USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=12 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 18 THR OG1 : rot 115:sc= 0.111 USER MOD Set 1.2: A 20 THR OG1 : rot 180:sc= 0.218 USER MOD Set 2.1: A 19 GLN : amide:sc= 0.349 K(o=1.3,f=-2.6!) USER MOD Set 2.2: A 30 GLN : amide:sc= 1.07 X(o=1.3,f=1.6) USER MOD Set 2.3: A 34 GLN : amide:sc= -0.0911 X(o=1.3,f=1.6) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.0409 (180deg=-0.537) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.285 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0263 (180deg=-0.469) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.37! C(o=-2.4!,f=-10!) USER MOD Single : A 32 SER OG : rot 180:sc= -1.78! USER MOD Single : A 41 THR OG1 : rot -170:sc= -1.79! USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= -0.0179 (180deg=-0.216) USER MOD Single : A 52 MET CE :methyl -178:sc= 0 (180deg=-0.00677) USER MOD Single : A 55 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 56 CYS SG : rot -3:sc= 0.855 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 4.565 5.571 1.119 1.00 0.00 N ATOM 29 CA LEU A 4 4.155 4.173 0.865 1.00 0.00 C ATOM 30 C LEU A 4 3.035 3.675 1.791 1.00 0.00 C ATOM 31 O LEU A 4 1.930 3.392 1.348 1.00 0.00 O ATOM 32 CB LEU A 4 5.349 3.229 1.048 1.00 0.00 C ATOM 33 CG LEU A 4 6.395 3.433 -0.049 1.00 0.00 C ATOM 34 CD1 LEU A 4 7.564 4.295 0.434 1.00 0.00 C ATOM 35 CD2 LEU A 4 6.903 2.052 -0.466 1.00 0.00 C ATOM 0 HA LEU A 4 3.781 4.167 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.804 3.401 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.003 2.195 1.035 1.00 0.00 H new ATOM 0 HG LEU A 4 5.939 3.956 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.285 4.416 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.193 5.273 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.048 3.810 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.653 2.161 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.348 1.553 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.071 1.456 -0.841 1.00 0.00 H new ATOM 37 N SER A 5 3.247 3.973 3.071 1.00 0.00 N ATOM 38 CA SER A 5 2.446 3.431 4.178 1.00 0.00 C ATOM 39 C SER A 5 1.069 4.086 4.326 1.00 0.00 C ATOM 40 O SER A 5 0.051 3.415 4.170 1.00 0.00 O ATOM 41 CB SER A 5 3.278 3.618 5.454 1.00 0.00 C ATOM 42 OG SER A 5 3.787 4.950 5.530 1.00 0.00 O ATOM 0 H SER A 5 3.987 4.604 3.377 1.00 0.00 H new ATOM 0 HA SER A 5 2.231 2.381 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.664 3.407 6.329 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.103 2.906 5.464 1.00 0.00 H new ATOM 0 HG SER A 5 4.314 5.053 6.350 1.00 0.00 H new ATOM 45 N GLU A 6 1.109 5.405 4.353 1.00 0.00 N ATOM 46 CA GLU A 6 -0.048 6.306 4.486 1.00 0.00 C ATOM 47 C GLU A 6 -0.998 6.235 3.280 1.00 0.00 C ATOM 48 O GLU A 6 -2.175 5.905 3.433 1.00 0.00 O ATOM 49 CB GLU A 6 0.522 7.716 4.622 1.00 0.00 C ATOM 50 CG GLU A 6 0.629 8.149 6.088 1.00 0.00 C ATOM 51 CD GLU A 6 1.345 9.492 6.205 1.00 0.00 C ATOM 52 OE1 GLU A 6 2.527 9.550 5.763 1.00 0.00 O ATOM 53 OE2 GLU A 6 0.729 10.432 6.751 1.00 0.00 O ATOM 0 H GLU A 6 1.989 5.915 4.280 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.643 6.014 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.508 7.755 4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.113 8.418 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.367 8.224 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.170 7.393 6.657 1.00 0.00 H new ATOM 55 N ARG A 7 -0.422 6.417 2.097 1.00 0.00 N ATOM 56 CA ARG A 7 -1.146 6.395 0.815 1.00 0.00 C ATOM 57 C ARG A 7 -1.801 5.035 0.522 1.00 0.00 C ATOM 58 O ARG A 7 -3.027 4.973 0.357 1.00 0.00 O ATOM 59 CB ARG A 7 -0.149 6.799 -0.270 1.00 0.00 C ATOM 60 CG ARG A 7 -0.727 7.734 -1.328 1.00 0.00 C ATOM 61 CD ARG A 7 -0.914 9.148 -0.784 1.00 0.00 C ATOM 62 NE ARG A 7 -1.252 10.118 -1.838 1.00 0.00 N ATOM 63 CZ ARG A 7 -2.343 10.887 -1.886 1.00 0.00 C ATOM 64 NH1 ARG A 7 -3.389 10.628 -1.127 1.00 0.00 N ATOM 65 NH2 ARG A 7 -2.466 11.772 -2.864 1.00 0.00 N ATOM 0 H ARG A 7 0.578 6.587 1.992 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.979 7.097 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.707 7.284 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.224 5.899 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.064 7.761 -2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.685 7.346 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.704 9.143 -0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.001 9.465 -0.283 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.588 10.212 -2.607 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.373 9.831 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.215 11.225 -1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.733 11.859 -3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.294 12.366 -2.913 1.00 0.00 H new ATOM 68 N LEU A 8 -1.036 3.960 0.678 1.00 0.00 N ATOM 69 CA LEU A 8 -1.540 2.586 0.497 1.00 0.00 C ATOM 70 C LEU A 8 -2.680 2.247 1.480 1.00 0.00 C ATOM 71 O LEU A 8 -3.795 1.946 1.063 1.00 0.00 O ATOM 72 CB LEU A 8 -0.390 1.584 0.670 1.00 0.00 C ATOM 73 CG LEU A 8 -0.820 0.161 0.320 1.00 0.00 C ATOM 74 CD1 LEU A 8 -0.979 0.021 -1.193 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.224 -0.843 0.828 1.00 0.00 C ATOM 0 H LEU A 8 -0.049 4.007 0.933 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.947 2.517 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.446 1.877 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.034 1.613 1.700 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.776 -0.046 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.286 -0.997 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.736 0.721 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.029 0.238 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.091 -1.855 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.187 -0.635 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.319 -0.753 1.910 1.00 0.00 H new ATOM 77 N LYS A 9 -2.401 2.442 2.776 1.00 0.00 N ATOM 78 CA LYS A 9 -3.361 2.182 3.864 1.00 0.00 C ATOM 79 C LYS A 9 -4.707 2.911 3.660 1.00 0.00 C ATOM 80 O LYS A 9 -5.757 2.290 3.712 1.00 0.00 O ATOM 81 CB LYS A 9 -2.732 2.597 5.188 1.00 0.00 C ATOM 82 CG LYS A 9 -3.521 2.112 6.405 1.00 0.00 C ATOM 83 CD LYS A 9 -2.850 2.581 7.694 1.00 0.00 C ATOM 84 CE LYS A 9 -3.647 2.082 8.895 1.00 0.00 C ATOM 85 NZ LYS A 9 -2.933 2.423 10.137 1.00 0.00 N ATOM 0 H LYS A 9 -1.499 2.786 3.104 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.584 1.115 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.717 2.204 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.655 3.684 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.542 2.491 6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.585 1.024 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.828 2.206 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.791 3.669 7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.639 2.533 8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.787 1.003 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.477 2.082 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.995 1.973 10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.821 3.455 10.201 1.00 0.00 H new ATOM 90 N LYS A 10 -4.622 4.179 3.258 1.00 0.00 N ATOM 91 CA LYS A 10 -5.803 5.020 2.998 1.00 0.00 C ATOM 92 C LYS A 10 -6.741 4.444 1.928 1.00 0.00 C ATOM 93 O LYS A 10 -7.949 4.333 2.143 1.00 0.00 O ATOM 94 CB LYS A 10 -5.345 6.437 2.636 1.00 0.00 C ATOM 95 CG LYS A 10 -6.464 7.481 2.771 1.00 0.00 C ATOM 96 CD LYS A 10 -6.993 7.658 4.198 1.00 0.00 C ATOM 97 CE LYS A 10 -5.942 8.228 5.158 1.00 0.00 C ATOM 98 NZ LYS A 10 -6.573 8.507 6.463 1.00 0.00 N ATOM 0 H LYS A 10 -3.735 4.657 3.102 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.395 5.046 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.512 6.720 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.972 6.442 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.094 8.441 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.292 7.195 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.858 8.321 4.180 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.337 6.695 4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.123 7.519 5.281 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.514 9.142 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.862 8.894 7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.340 9.198 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.962 7.626 6.856 1.00 0.00 H new ATOM 103 N ARG A 11 -6.146 3.932 0.855 1.00 0.00 N ATOM 104 CA ARG A 11 -6.916 3.332 -0.251 1.00 0.00 C ATOM 105 C ARG A 11 -7.610 2.004 0.083 1.00 0.00 C ATOM 106 O ARG A 11 -8.770 1.810 -0.264 1.00 0.00 O ATOM 107 CB ARG A 11 -5.966 3.190 -1.451 1.00 0.00 C ATOM 108 CG ARG A 11 -6.663 2.821 -2.761 1.00 0.00 C ATOM 109 CD ARG A 11 -7.545 3.941 -3.300 1.00 0.00 C ATOM 110 NE ARG A 11 -8.331 3.398 -4.414 1.00 0.00 N ATOM 111 CZ ARG A 11 -8.730 4.052 -5.508 1.00 0.00 C ATOM 112 NH1 ARG A 11 -8.398 5.305 -5.753 1.00 0.00 N ATOM 113 NH2 ARG A 11 -9.492 3.421 -6.388 1.00 0.00 N ATOM 0 H ARG A 11 -5.135 3.916 0.720 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.748 3.998 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.430 4.129 -1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.220 2.429 -1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.911 2.567 -3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.271 1.930 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.203 4.319 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.935 4.779 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.601 2.417 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.812 5.816 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.727 5.763 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.765 2.452 -6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.807 3.904 -7.229 1.00 0.00 H new ATOM 116 N ARG A 12 -6.939 1.190 0.900 1.00 0.00 N ATOM 117 CA ARG A 12 -7.535 -0.024 1.490 1.00 0.00 C ATOM 118 C ARG A 12 -8.860 0.264 2.209 1.00 0.00 C ATOM 119 O ARG A 12 -9.902 -0.246 1.806 1.00 0.00 O ATOM 120 CB ARG A 12 -6.540 -0.656 2.463 1.00 0.00 C ATOM 121 CG ARG A 12 -5.453 -1.448 1.729 1.00 0.00 C ATOM 122 CD ARG A 12 -4.272 -1.780 2.648 1.00 0.00 C ATOM 123 NE ARG A 12 -4.707 -2.558 3.818 1.00 0.00 N ATOM 124 CZ ARG A 12 -4.224 -2.449 5.050 1.00 0.00 C ATOM 125 NH1 ARG A 12 -3.336 -1.510 5.374 1.00 0.00 N ATOM 126 NH2 ARG A 12 -4.733 -3.144 6.056 1.00 0.00 N ATOM 0 H ARG A 12 -5.969 1.348 1.175 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.756 -0.714 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.076 0.124 3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.071 -1.316 3.148 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.879 -2.371 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.098 -0.872 0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.523 -2.344 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.795 -0.857 2.979 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.447 -3.244 3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.010 -0.851 4.667 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.982 -1.450 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.513 -3.780 5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.345 -3.043 6.994 1.00 0.00 H new ATOM 129 N ILE A 13 -8.828 1.286 3.057 1.00 0.00 N ATOM 130 CA ILE A 13 -10.004 1.760 3.819 1.00 0.00 C ATOM 131 C ILE A 13 -11.132 2.212 2.859 1.00 0.00 C ATOM 132 O ILE A 13 -12.248 1.703 2.931 1.00 0.00 O ATOM 133 CB ILE A 13 -9.604 2.911 4.765 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.359 2.585 5.625 1.00 0.00 C ATOM 135 CG2 ILE A 13 -10.778 3.196 5.719 1.00 0.00 C ATOM 136 CD1 ILE A 13 -7.676 3.815 6.231 1.00 0.00 C ATOM 0 H ILE A 13 -7.981 1.822 3.245 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.380 0.932 4.421 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.362 3.770 4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.654 1.913 6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.637 2.048 5.010 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.509 4.008 6.394 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.656 3.481 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.001 2.301 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.814 3.500 6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.348 4.480 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.380 4.342 6.875 1.00 0.00 H new ATOM 138 N ALA A 14 -10.753 3.042 1.888 1.00 0.00 N ATOM 139 CA ALA A 14 -11.676 3.619 0.886 1.00 0.00 C ATOM 140 C ALA A 14 -12.383 2.575 0.001 1.00 0.00 C ATOM 141 O ALA A 14 -13.518 2.773 -0.433 1.00 0.00 O ATOM 142 CB ALA A 14 -10.901 4.605 -0.001 1.00 0.00 C ATOM 0 H ALA A 14 -9.786 3.342 1.765 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.465 4.121 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.575 5.035 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.486 5.401 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.091 4.080 -0.508 1.00 0.00 H new ATOM 144 N LEU A 15 -11.671 1.482 -0.281 1.00 0.00 N ATOM 145 CA LEU A 15 -12.162 0.352 -1.090 1.00 0.00 C ATOM 146 C LEU A 15 -12.674 -0.840 -0.259 1.00 0.00 C ATOM 147 O LEU A 15 -12.915 -1.924 -0.800 1.00 0.00 O ATOM 148 CB LEU A 15 -11.001 -0.077 -1.983 1.00 0.00 C ATOM 149 CG LEU A 15 -11.392 -0.061 -3.464 1.00 0.00 C ATOM 150 CD1 LEU A 15 -11.564 1.364 -3.995 1.00 0.00 C ATOM 151 CD2 LEU A 15 -10.295 -0.771 -4.274 1.00 0.00 C ATOM 0 H LEU A 15 -10.716 1.350 0.051 1.00 0.00 H new ATOM 0 HA LEU A 15 -13.029 0.680 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.153 0.589 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.677 -1.079 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.348 -0.573 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.841 1.329 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.347 1.871 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.627 1.909 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.562 -0.766 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.347 -0.251 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.197 -1.800 -3.929 1.00 0.00 H new ATOM 153 N LYS A 16 -12.871 -0.620 1.047 1.00 0.00 N ATOM 154 CA LYS A 16 -13.332 -1.635 2.024 1.00 0.00 C ATOM 155 C LYS A 16 -12.491 -2.926 2.028 1.00 0.00 C ATOM 156 O LYS A 16 -12.955 -4.028 2.327 1.00 0.00 O ATOM 157 CB LYS A 16 -14.826 -1.942 1.802 1.00 0.00 C ATOM 158 CG LYS A 16 -15.664 -0.695 2.062 1.00 0.00 C ATOM 159 CD LYS A 16 -17.137 -0.952 1.717 1.00 0.00 C ATOM 160 CE LYS A 16 -17.972 0.303 1.980 1.00 0.00 C ATOM 161 NZ LYS A 16 -17.935 0.617 3.414 1.00 0.00 N ATOM 0 H LYS A 16 -12.712 0.293 1.473 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.193 -1.199 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.986 -2.290 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.142 -2.746 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -15.576 -0.403 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.285 0.135 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.227 -1.244 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.518 -1.782 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -17.582 1.141 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.001 0.144 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -18.738 1.232 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -17.995 -0.264 3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -17.045 1.106 3.640 1.00 0.00 H new ATOM 166 N MET A 17 -11.189 -2.705 1.872 1.00 0.00 N ATOM 167 CA MET A 17 -10.165 -3.748 1.746 1.00 0.00 C ATOM 168 C MET A 17 -9.251 -3.829 2.968 1.00 0.00 C ATOM 169 O MET A 17 -8.778 -2.837 3.525 1.00 0.00 O ATOM 170 CB MET A 17 -9.312 -3.478 0.509 1.00 0.00 C ATOM 171 CG MET A 17 -10.033 -3.756 -0.803 1.00 0.00 C ATOM 172 SD MET A 17 -10.601 -5.486 -0.976 1.00 0.00 S ATOM 173 CE MET A 17 -12.281 -5.194 -1.474 1.00 0.00 C ATOM 0 H MET A 17 -10.800 -1.763 1.828 1.00 0.00 H new ATOM 0 HA MET A 17 -10.688 -4.700 1.660 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.988 -2.437 0.522 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.413 -4.093 0.557 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.893 -3.091 -0.883 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.366 -3.517 -1.632 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.786 -6.148 -1.626 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.798 -4.630 -0.698 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.291 -4.625 -2.404 1.00 0.00 H new ATOM 175 N THR A 18 -8.924 -5.081 3.263 1.00 0.00 N ATOM 176 CA THR A 18 -7.924 -5.448 4.292 1.00 0.00 C ATOM 177 C THR A 18 -6.664 -5.924 3.566 1.00 0.00 C ATOM 178 O THR A 18 -6.694 -6.250 2.366 1.00 0.00 O ATOM 179 CB THR A 18 -8.467 -6.577 5.174 1.00 0.00 C ATOM 180 OG1 THR A 18 -8.727 -7.722 4.359 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.708 -6.158 5.972 1.00 0.00 C ATOM 0 H THR A 18 -9.342 -5.887 2.798 1.00 0.00 H new ATOM 0 HA THR A 18 -7.703 -4.591 4.928 1.00 0.00 H new ATOM 0 HB THR A 18 -7.710 -6.825 5.918 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.123 -8.450 4.615 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.050 -6.996 6.579 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.457 -5.319 6.621 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.500 -5.861 5.284 1.00 0.00 H new ATOM 184 N GLN A 19 -5.564 -6.014 4.299 1.00 0.00 N ATOM 185 CA GLN A 19 -4.280 -6.453 3.717 1.00 0.00 C ATOM 186 C GLN A 19 -4.272 -7.879 3.163 1.00 0.00 C ATOM 187 O GLN A 19 -3.628 -8.122 2.144 1.00 0.00 O ATOM 188 CB GLN A 19 -3.176 -6.339 4.731 1.00 0.00 C ATOM 189 CG GLN A 19 -2.233 -5.236 4.259 1.00 0.00 C ATOM 190 CD GLN A 19 -1.039 -5.193 5.203 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.140 -6.014 5.148 1.00 0.00 O ATOM 192 NE2 GLN A 19 -1.085 -4.256 6.121 1.00 0.00 N ATOM 0 H GLN A 19 -5.522 -5.793 5.294 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.124 -5.784 2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.582 -6.102 5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.643 -7.285 4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.903 -5.429 3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.746 -4.275 4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.856 -3.589 6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.349 -4.195 6.825 1.00 0.00 H new ATOM 194 N THR A 20 -4.905 -8.800 3.868 1.00 0.00 N ATOM 195 CA THR A 20 -5.080 -10.200 3.418 1.00 0.00 C ATOM 196 C THR A 20 -5.788 -10.283 2.065 1.00 0.00 C ATOM 197 O THR A 20 -5.249 -10.849 1.106 1.00 0.00 O ATOM 198 CB THR A 20 -5.871 -10.971 4.483 1.00 0.00 C ATOM 199 OG1 THR A 20 -7.099 -10.310 4.750 1.00 0.00 O ATOM 200 CG2 THR A 20 -5.082 -11.122 5.784 1.00 0.00 C ATOM 0 H THR A 20 -5.322 -8.611 4.780 1.00 0.00 H new ATOM 0 HA THR A 20 -4.094 -10.646 3.288 1.00 0.00 H new ATOM 0 HB THR A 20 -6.062 -11.968 4.087 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.598 -10.809 5.430 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.679 -11.674 6.510 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.157 -11.665 5.588 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.846 -10.135 6.183 1.00 0.00 H new ATOM 203 N GLU A 21 -6.846 -9.475 1.966 1.00 0.00 N ATOM 204 CA GLU A 21 -7.606 -9.241 0.718 1.00 0.00 C ATOM 205 C GLU A 21 -6.696 -8.717 -0.406 1.00 0.00 C ATOM 206 O GLU A 21 -6.567 -9.354 -1.446 1.00 0.00 O ATOM 207 CB GLU A 21 -8.739 -8.238 0.946 1.00 0.00 C ATOM 208 CG GLU A 21 -10.116 -8.899 1.044 1.00 0.00 C ATOM 209 CD GLU A 21 -10.478 -9.291 2.479 1.00 0.00 C ATOM 210 OE1 GLU A 21 -10.011 -10.361 2.925 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.148 -8.466 3.146 1.00 0.00 O ATOM 0 H GLU A 21 -7.212 -8.951 2.761 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.024 -10.202 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.544 -7.681 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.747 -7.516 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.872 -8.216 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.135 -9.787 0.413 1.00 0.00 H new ATOM 213 N LEU A 22 -5.924 -7.672 -0.082 1.00 0.00 N ATOM 214 CA LEU A 22 -4.976 -7.041 -1.013 1.00 0.00 C ATOM 215 C LEU A 22 -3.871 -8.006 -1.462 1.00 0.00 C ATOM 216 O LEU A 22 -3.740 -8.276 -2.653 1.00 0.00 O ATOM 217 CB LEU A 22 -4.443 -5.793 -0.289 1.00 0.00 C ATOM 218 CG LEU A 22 -3.316 -5.081 -1.028 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.766 -4.573 -2.407 1.00 0.00 C ATOM 220 CD2 LEU A 22 -2.815 -3.904 -0.200 1.00 0.00 C ATOM 0 H LEU A 22 -5.939 -7.236 0.840 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.462 -6.757 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.265 -5.093 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.089 -6.083 0.700 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.515 -5.805 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.933 -4.072 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.094 -5.415 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.591 -3.871 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.010 -3.400 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.633 -3.203 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.444 -4.266 0.759 1.00 0.00 H new ATOM 222 N ALA A 23 -3.280 -8.686 -0.484 1.00 0.00 N ATOM 223 CA ALA A 23 -2.212 -9.692 -0.664 1.00 0.00 C ATOM 224 C ALA A 23 -2.610 -10.803 -1.658 1.00 0.00 C ATOM 225 O ALA A 23 -1.922 -10.987 -2.668 1.00 0.00 O ATOM 226 CB ALA A 23 -1.878 -10.304 0.692 1.00 0.00 C ATOM 0 H ALA A 23 -3.533 -8.554 0.495 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.341 -9.188 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.091 -11.048 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.537 -9.522 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.767 -10.780 1.105 1.00 0.00 H new ATOM 228 N THR A 24 -3.820 -11.316 -1.471 1.00 0.00 N ATOM 229 CA THR A 24 -4.451 -12.343 -2.333 1.00 0.00 C ATOM 230 C THR A 24 -4.560 -11.857 -3.795 1.00 0.00 C ATOM 231 O THR A 24 -3.928 -12.423 -4.676 1.00 0.00 O ATOM 232 CB THR A 24 -5.818 -12.723 -1.716 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.603 -13.408 -0.488 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.696 -13.577 -2.636 1.00 0.00 C ATOM 0 H THR A 24 -4.418 -11.029 -0.696 1.00 0.00 H new ATOM 0 HA THR A 24 -3.830 -13.238 -2.373 1.00 0.00 H new ATOM 0 HB THR A 24 -6.360 -11.791 -1.556 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.453 -12.756 0.228 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.637 -13.803 -2.134 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.898 -13.030 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.179 -14.507 -2.872 1.00 0.00 H new ATOM 237 N LYS A 25 -5.126 -10.670 -3.954 1.00 0.00 N ATOM 238 CA LYS A 25 -5.379 -10.040 -5.267 1.00 0.00 C ATOM 239 C LYS A 25 -4.092 -9.680 -6.015 1.00 0.00 C ATOM 240 O LYS A 25 -3.977 -9.891 -7.223 1.00 0.00 O ATOM 241 CB LYS A 25 -6.208 -8.773 -5.042 1.00 0.00 C ATOM 242 CG LYS A 25 -7.673 -9.054 -4.756 1.00 0.00 C ATOM 243 CD LYS A 25 -8.384 -7.743 -4.415 1.00 0.00 C ATOM 244 CE LYS A 25 -9.866 -7.943 -4.082 1.00 0.00 C ATOM 245 NZ LYS A 25 -9.986 -8.885 -2.954 1.00 0.00 N ATOM 0 H LYS A 25 -5.433 -10.097 -3.168 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.912 -10.761 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.784 -8.213 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.133 -8.137 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.141 -9.520 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.765 -9.757 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.885 -7.274 -3.567 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.294 -7.056 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.325 -6.989 -3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.398 -8.329 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.930 -8.797 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.851 -9.857 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.262 -8.666 -2.240 1.00 0.00 H new ATOM 250 N ALA A 26 -3.161 -9.090 -5.276 1.00 0.00 N ATOM 251 CA ALA A 26 -1.809 -8.759 -5.749 1.00 0.00 C ATOM 252 C ALA A 26 -0.902 -9.982 -6.027 1.00 0.00 C ATOM 253 O ALA A 26 0.164 -9.837 -6.628 1.00 0.00 O ATOM 254 CB ALA A 26 -1.139 -7.819 -4.731 1.00 0.00 C ATOM 0 H ALA A 26 -3.322 -8.819 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.931 -8.272 -6.716 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.135 -7.568 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.728 -6.907 -4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.078 -8.315 -3.762 1.00 0.00 H new ATOM 256 N GLY A 27 -1.300 -11.151 -5.534 1.00 0.00 N ATOM 257 CA GLY A 27 -0.567 -12.424 -5.697 1.00 0.00 C ATOM 258 C GLY A 27 0.744 -12.480 -4.893 1.00 0.00 C ATOM 259 O GLY A 27 1.726 -13.094 -5.314 1.00 0.00 O ATOM 0 H GLY A 27 -2.160 -11.253 -4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.210 -13.248 -5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.344 -12.574 -6.753 1.00 0.00 H new ATOM 261 N VAL A 28 0.717 -11.854 -3.725 1.00 0.00 N ATOM 262 CA VAL A 28 1.848 -11.772 -2.781 1.00 0.00 C ATOM 263 C VAL A 28 1.390 -12.031 -1.347 1.00 0.00 C ATOM 264 O VAL A 28 0.202 -11.993 -1.029 1.00 0.00 O ATOM 265 CB VAL A 28 2.621 -10.446 -2.862 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.705 -10.497 -3.938 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.756 -9.185 -2.974 1.00 0.00 C ATOM 0 H VAL A 28 -0.115 -11.370 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 28 2.541 -12.557 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 28 3.102 -10.347 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.232 -9.544 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.411 -11.295 -3.706 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.246 -10.689 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.399 -8.306 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.146 -9.241 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.107 -9.110 -2.101 1.00 0.00 H new ATOM 269 N LYS A 29 2.373 -12.180 -0.476 1.00 0.00 N ATOM 270 CA LYS A 29 2.145 -12.488 0.950 1.00 0.00 C ATOM 271 C LYS A 29 1.630 -11.274 1.722 1.00 0.00 C ATOM 272 O LYS A 29 1.962 -10.120 1.434 1.00 0.00 O ATOM 273 CB LYS A 29 3.460 -12.979 1.561 1.00 0.00 C ATOM 274 CG LYS A 29 3.946 -14.304 0.963 1.00 0.00 C ATOM 275 CD LYS A 29 5.272 -14.682 1.599 1.00 0.00 C ATOM 276 CE LYS A 29 5.823 -15.959 0.982 1.00 0.00 C ATOM 277 NZ LYS A 29 7.082 -16.316 1.666 1.00 0.00 N ATOM 0 H LYS A 29 3.358 -12.093 -0.725 1.00 0.00 H new ATOM 0 HA LYS A 29 1.379 -13.261 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.227 -12.219 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.331 -13.099 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.209 -15.088 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.061 -14.209 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.988 -13.871 1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.140 -14.819 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.099 -16.768 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.000 -15.817 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.467 -17.188 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.770 -15.545 1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.897 -16.466 2.678 1.00 0.00 H new ATOM 282 N GLN A 30 0.937 -11.577 2.810 1.00 0.00 N ATOM 283 CA GLN A 30 0.365 -10.540 3.687 1.00 0.00 C ATOM 284 C GLN A 30 1.446 -9.700 4.387 1.00 0.00 C ATOM 285 O GLN A 30 1.468 -8.471 4.279 1.00 0.00 O ATOM 286 CB GLN A 30 -0.574 -11.227 4.692 1.00 0.00 C ATOM 287 CG GLN A 30 -1.625 -10.237 5.201 1.00 0.00 C ATOM 288 CD GLN A 30 -1.268 -9.626 6.555 1.00 0.00 C ATOM 289 OE1 GLN A 30 -1.497 -10.195 7.611 1.00 0.00 O ATOM 290 NE2 GLN A 30 -0.764 -8.408 6.541 1.00 0.00 N ATOM 0 H GLN A 30 0.751 -12.532 3.116 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.200 -9.830 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.065 -12.077 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.003 -11.618 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.747 -9.438 4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.586 -10.746 5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.577 -7.944 5.652 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.561 -7.930 7.419 1.00 0.00 H new ATOM 292 N GLN A 31 2.455 -10.392 4.899 1.00 0.00 N ATOM 293 CA GLN A 31 3.681 -9.809 5.478 1.00 0.00 C ATOM 294 C GLN A 31 4.489 -8.948 4.493 1.00 0.00 C ATOM 295 O GLN A 31 4.988 -7.895 4.888 1.00 0.00 O ATOM 296 CB GLN A 31 4.572 -10.885 6.133 1.00 0.00 C ATOM 297 CG GLN A 31 4.936 -12.081 5.241 1.00 0.00 C ATOM 298 CD GLN A 31 3.837 -13.145 5.210 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.798 -13.042 4.585 1.00 0.00 O ATOM 300 NE2 GLN A 31 4.022 -14.199 5.960 1.00 0.00 N ATOM 0 H GLN A 31 2.453 -11.412 4.929 1.00 0.00 H new ATOM 0 HA GLN A 31 3.333 -9.129 6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.495 -10.411 6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.064 -11.259 7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.125 -11.729 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.862 -12.530 5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.887 -14.302 6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.301 -14.919 6.015 1.00 0.00 H new ATOM 302 N SER A 32 4.484 -9.297 3.205 1.00 0.00 N ATOM 303 CA SER A 32 5.091 -8.489 2.129 1.00 0.00 C ATOM 304 C SER A 32 4.473 -7.092 2.051 1.00 0.00 C ATOM 305 O SER A 32 5.180 -6.088 2.103 1.00 0.00 O ATOM 306 CB SER A 32 4.880 -9.190 0.788 1.00 0.00 C ATOM 307 OG SER A 32 5.369 -10.536 0.845 1.00 0.00 O ATOM 0 H SER A 32 4.054 -10.159 2.869 1.00 0.00 H new ATOM 0 HA SER A 32 6.153 -8.386 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.820 -9.192 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.395 -8.642 -0.001 1.00 0.00 H new ATOM 0 HG SER A 32 5.226 -10.973 -0.020 1.00 0.00 H new ATOM 310 N ILE A 33 3.135 -7.040 2.074 1.00 0.00 N ATOM 311 CA ILE A 33 2.374 -5.773 2.074 1.00 0.00 C ATOM 312 C ILE A 33 2.585 -4.998 3.402 1.00 0.00 C ATOM 313 O ILE A 33 2.683 -3.775 3.404 1.00 0.00 O ATOM 314 CB ILE A 33 0.872 -6.019 1.824 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.610 -6.934 0.616 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.102 -4.690 1.699 1.00 0.00 C ATOM 317 CD1 ILE A 33 1.070 -6.423 -0.756 1.00 0.00 C ATOM 0 H ILE A 33 2.545 -7.872 2.093 1.00 0.00 H new ATOM 0 HA ILE A 33 2.755 -5.162 1.255 1.00 0.00 H new ATOM 0 HB ILE A 33 0.495 -6.549 2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.099 -7.890 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.461 -7.128 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.954 -4.896 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.211 -4.118 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.503 -4.114 0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.826 -7.161 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.564 -5.485 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.147 -6.259 -0.741 1.00 0.00 H new ATOM 319 N GLN A 34 2.687 -5.722 4.526 1.00 0.00 N ATOM 320 CA GLN A 34 3.010 -5.111 5.829 1.00 0.00 C ATOM 321 C GLN A 34 4.272 -4.248 5.782 1.00 0.00 C ATOM 322 O GLN A 34 4.272 -3.165 6.355 1.00 0.00 O ATOM 323 CB GLN A 34 3.281 -6.087 6.973 1.00 0.00 C ATOM 324 CG GLN A 34 2.065 -6.880 7.448 1.00 0.00 C ATOM 325 CD GLN A 34 1.064 -6.080 8.308 1.00 0.00 C ATOM 326 OE1 GLN A 34 -0.072 -6.478 8.504 1.00 0.00 O ATOM 327 NE2 GLN A 34 1.444 -4.971 8.901 1.00 0.00 N ATOM 0 H GLN A 34 2.551 -6.732 4.562 1.00 0.00 H new ATOM 0 HA GLN A 34 2.100 -4.543 6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.052 -6.789 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.685 -5.529 7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.541 -7.271 6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.411 -7.739 8.023 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.388 -4.613 8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.795 -4.468 9.506 1.00 0.00 H new ATOM 329 N LEU A 35 5.293 -4.714 5.082 1.00 0.00 N ATOM 330 CA LEU A 35 6.564 -3.984 4.892 1.00 0.00 C ATOM 331 C LEU A 35 6.409 -2.605 4.222 1.00 0.00 C ATOM 332 O LEU A 35 7.207 -1.697 4.486 1.00 0.00 O ATOM 333 CB LEU A 35 7.538 -4.891 4.164 1.00 0.00 C ATOM 334 CG LEU A 35 8.449 -5.651 5.145 1.00 0.00 C ATOM 335 CD1 LEU A 35 7.719 -6.796 5.852 1.00 0.00 C ATOM 336 CD2 LEU A 35 9.640 -6.214 4.389 1.00 0.00 C ATOM 0 H LEU A 35 5.275 -5.622 4.618 1.00 0.00 H new ATOM 0 HA LEU A 35 6.963 -3.738 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.984 -5.605 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.150 -4.298 3.484 1.00 0.00 H new ATOM 0 HG LEU A 35 8.771 -4.943 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.405 -7.300 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.876 -6.397 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.355 -7.508 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.288 -6.753 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.290 -6.895 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.198 -5.398 3.930 1.00 0.00 H new ATOM 338 N ILE A 36 5.322 -2.436 3.477 1.00 0.00 N ATOM 339 CA ILE A 36 4.923 -1.161 2.839 1.00 0.00 C ATOM 340 C ILE A 36 4.205 -0.289 3.888 1.00 0.00 C ATOM 341 O ILE A 36 4.619 0.834 4.136 1.00 0.00 O ATOM 342 CB ILE A 36 3.985 -1.386 1.632 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.347 -2.575 0.722 1.00 0.00 C ATOM 344 CG2 ILE A 36 3.788 -0.083 0.846 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.800 -2.635 0.228 1.00 0.00 C ATOM 0 H ILE A 36 4.668 -3.196 3.288 1.00 0.00 H new ATOM 0 HA ILE A 36 5.822 -0.667 2.469 1.00 0.00 H new ATOM 0 HB ILE A 36 3.029 -1.685 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.130 -3.497 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.690 -2.553 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.124 -0.265 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.348 0.672 1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.752 0.271 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.934 -3.514 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.026 -1.737 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.473 -2.696 1.083 1.00 0.00 H new ATOM 347 N GLU A 37 3.225 -0.895 4.549 1.00 0.00 N ATOM 348 CA GLU A 37 2.482 -0.284 5.677 1.00 0.00 C ATOM 349 C GLU A 37 3.409 0.174 6.829 1.00 0.00 C ATOM 350 O GLU A 37 3.130 1.142 7.531 1.00 0.00 O ATOM 351 CB GLU A 37 1.430 -1.271 6.208 1.00 0.00 C ATOM 352 CG GLU A 37 0.350 -0.522 6.988 1.00 0.00 C ATOM 353 CD GLU A 37 -0.515 -1.441 7.856 1.00 0.00 C ATOM 354 OE1 GLU A 37 0.069 -2.208 8.647 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.753 -1.385 7.698 1.00 0.00 O ATOM 0 H GLU A 37 2.910 -1.838 4.323 1.00 0.00 H new ATOM 0 HA GLU A 37 1.992 0.609 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.979 -1.814 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.907 -2.011 6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.823 0.227 7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.290 0.013 6.287 1.00 0.00 H new ATOM 357 N ALA A 38 4.468 -0.604 7.028 1.00 0.00 N ATOM 358 CA ALA A 38 5.575 -0.377 7.981 1.00 0.00 C ATOM 359 C ALA A 38 6.666 0.586 7.470 1.00 0.00 C ATOM 360 O ALA A 38 7.580 0.924 8.225 1.00 0.00 O ATOM 361 CB ALA A 38 6.170 -1.759 8.317 1.00 0.00 C ATOM 0 H ALA A 38 4.594 -1.467 6.500 1.00 0.00 H new ATOM 0 HA ALA A 38 5.174 0.119 8.865 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.994 -1.639 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.400 -2.388 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.537 -2.229 7.405 1.00 0.00 H new ATOM 363 N GLY A 39 6.558 1.027 6.217 1.00 0.00 N ATOM 364 CA GLY A 39 7.502 1.967 5.568 1.00 0.00 C ATOM 365 C GLY A 39 8.965 1.501 5.524 1.00 0.00 C ATOM 366 O GLY A 39 9.892 2.312 5.595 1.00 0.00 O ATOM 0 H GLY A 39 5.797 0.740 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.165 2.148 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.457 2.921 6.093 1.00 0.00 H new ATOM 368 N VAL A 40 9.149 0.218 5.243 1.00 0.00 N ATOM 369 CA VAL A 40 10.494 -0.425 5.222 1.00 0.00 C ATOM 370 C VAL A 40 10.904 -0.714 3.770 1.00 0.00 C ATOM 371 O VAL A 40 11.980 -0.319 3.316 1.00 0.00 O ATOM 372 CB VAL A 40 10.498 -1.695 6.105 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.891 -2.339 6.155 1.00 0.00 C ATOM 374 CG2 VAL A 40 10.081 -1.386 7.544 1.00 0.00 C ATOM 0 H VAL A 40 8.385 -0.421 5.021 1.00 0.00 H new ATOM 0 HA VAL A 40 11.236 0.253 5.644 1.00 0.00 H new ATOM 0 HB VAL A 40 9.782 -2.379 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.858 -3.229 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.199 -2.618 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.606 -1.628 6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.096 -2.304 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.775 -0.666 7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.074 -0.968 7.549 1.00 0.00 H new ATOM 376 N THR A 41 9.972 -1.297 3.012 1.00 0.00 N ATOM 377 CA THR A 41 10.180 -1.628 1.592 1.00 0.00 C ATOM 378 C THR A 41 9.809 -0.408 0.733 1.00 0.00 C ATOM 379 O THR A 41 8.724 -0.301 0.180 1.00 0.00 O ATOM 380 CB THR A 41 9.361 -2.877 1.220 1.00 0.00 C ATOM 381 OG1 THR A 41 9.750 -3.927 2.095 1.00 0.00 O ATOM 382 CG2 THR A 41 9.584 -3.343 -0.224 1.00 0.00 C ATOM 0 H THR A 41 9.049 -1.555 3.362 1.00 0.00 H new ATOM 0 HA THR A 41 11.227 -1.865 1.404 1.00 0.00 H new ATOM 0 HB THR A 41 8.306 -2.620 1.313 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.364 -4.772 1.783 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.977 -4.227 -0.419 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.298 -2.547 -0.911 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.636 -3.587 -0.369 1.00 0.00 H new ATOM 385 N LYS A 42 10.766 0.509 0.737 1.00 0.00 N ATOM 386 CA LYS A 42 10.740 1.799 0.006 1.00 0.00 C ATOM 387 C LYS A 42 10.390 1.683 -1.479 1.00 0.00 C ATOM 388 O LYS A 42 9.757 2.588 -2.033 1.00 0.00 O ATOM 389 CB LYS A 42 12.093 2.499 0.166 1.00 0.00 C ATOM 390 CG LYS A 42 12.254 2.991 1.598 1.00 0.00 C ATOM 391 CD LYS A 42 13.654 3.570 1.812 1.00 0.00 C ATOM 392 CE LYS A 42 13.784 4.137 3.234 1.00 0.00 C ATOM 393 NZ LYS A 42 13.672 3.058 4.228 1.00 0.00 N ATOM 0 H LYS A 42 11.627 0.383 1.269 1.00 0.00 H new ATOM 0 HA LYS A 42 9.936 2.384 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.900 1.811 -0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.163 3.338 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.503 3.751 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.084 2.168 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.404 2.795 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.846 4.355 1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.743 4.644 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.008 4.882 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.977 3.410 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.683 2.740 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.276 2.260 3.944 1.00 0.00 H new ATOM 398 N ARG A 43 11.001 0.708 -2.138 1.00 0.00 N ATOM 399 CA ARG A 43 10.598 0.313 -3.496 1.00 0.00 C ATOM 400 C ARG A 43 10.080 -1.130 -3.542 1.00 0.00 C ATOM 401 O ARG A 43 10.869 -2.071 -3.430 1.00 0.00 O ATOM 402 CB ARG A 43 11.722 0.535 -4.516 1.00 0.00 C ATOM 403 CG ARG A 43 12.010 2.027 -4.647 1.00 0.00 C ATOM 404 CD ARG A 43 12.172 2.425 -6.115 1.00 0.00 C ATOM 405 NE ARG A 43 10.910 2.262 -6.853 1.00 0.00 N ATOM 406 CZ ARG A 43 10.773 2.461 -8.160 1.00 0.00 C ATOM 407 NH1 ARG A 43 11.807 2.834 -8.903 1.00 0.00 N ATOM 408 NH2 ARG A 43 9.566 2.662 -8.675 1.00 0.00 N ATOM 0 H ARG A 43 11.781 0.170 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 43 9.771 0.965 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.622 0.007 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.434 0.124 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.198 2.599 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.917 2.276 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.502 3.462 -6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.948 1.814 -6.577 1.00 0.00 H new ATOM 0 HE ARG A 43 10.084 1.977 -6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.721 2.972 -8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.688 2.983 -9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.746 2.664 -8.068 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.458 2.815 -9.678 1.00 0.00 H new ATOM 411 N PRO A 44 8.752 -1.295 -3.534 1.00 0.00 N ATOM 412 CA PRO A 44 8.132 -2.608 -3.745 1.00 0.00 C ATOM 413 C PRO A 44 8.159 -2.953 -5.230 1.00 0.00 C ATOM 414 O PRO A 44 7.561 -2.271 -6.055 1.00 0.00 O ATOM 415 CB PRO A 44 6.702 -2.463 -3.229 1.00 0.00 C ATOM 416 CG PRO A 44 6.395 -0.971 -3.361 1.00 0.00 C ATOM 417 CD PRO A 44 7.748 -0.286 -3.131 1.00 0.00 C ATOM 0 HA PRO A 44 8.654 -3.412 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.006 -3.064 -3.814 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.618 -2.795 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.991 -0.733 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.656 -0.650 -2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.838 0.623 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.873 0.003 -2.088 1.00 0.00 H new ATOM 418 N ARG A 45 8.896 -4.003 -5.562 1.00 0.00 N ATOM 419 CA ARG A 45 8.809 -4.576 -6.925 1.00 0.00 C ATOM 420 C ARG A 45 7.406 -4.971 -7.377 1.00 0.00 C ATOM 421 O ARG A 45 6.962 -4.560 -8.448 1.00 0.00 O ATOM 422 CB ARG A 45 9.835 -5.698 -7.117 1.00 0.00 C ATOM 423 CG ARG A 45 11.283 -5.187 -7.110 1.00 0.00 C ATOM 424 CD ARG A 45 11.696 -4.362 -8.347 1.00 0.00 C ATOM 425 NE ARG A 45 11.003 -3.057 -8.434 1.00 0.00 N ATOM 426 CZ ARG A 45 11.419 -1.880 -7.968 1.00 0.00 C ATOM 427 NH1 ARG A 45 12.562 -1.728 -7.312 1.00 0.00 N ATOM 428 NH2 ARG A 45 10.626 -0.820 -8.084 1.00 0.00 N ATOM 0 H ARG A 45 9.548 -4.475 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 45 9.067 -3.759 -7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.711 -6.437 -6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.638 -6.206 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.431 -4.576 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.953 -6.043 -7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.773 -4.194 -8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.485 -4.939 -9.248 1.00 0.00 H new ATOM 0 HE ARG A 45 10.099 -3.059 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.165 -2.533 -7.145 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.838 -0.806 -6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.711 -0.913 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.932 0.087 -7.732 1.00 0.00 H new ATOM 431 N PHE A 46 6.606 -5.416 -6.403 1.00 0.00 N ATOM 432 CA PHE A 46 5.192 -5.787 -6.605 1.00 0.00 C ATOM 433 C PHE A 46 4.198 -4.612 -6.589 1.00 0.00 C ATOM 434 O PHE A 46 2.981 -4.825 -6.547 1.00 0.00 O ATOM 435 CB PHE A 46 4.774 -6.917 -5.648 1.00 0.00 C ATOM 436 CG PHE A 46 5.251 -6.784 -4.199 1.00 0.00 C ATOM 437 CD1 PHE A 46 6.580 -7.130 -3.833 1.00 0.00 C ATOM 438 CD2 PHE A 46 4.327 -6.351 -3.217 1.00 0.00 C ATOM 439 CE1 PHE A 46 6.982 -7.019 -2.485 1.00 0.00 C ATOM 440 CE2 PHE A 46 4.730 -6.240 -1.869 1.00 0.00 C ATOM 441 CZ PHE A 46 6.048 -6.576 -1.519 1.00 0.00 C ATOM 0 H PHE A 46 6.920 -5.532 -5.440 1.00 0.00 H new ATOM 0 HA PHE A 46 5.138 -6.160 -7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.686 -6.980 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.148 -7.860 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.278 -7.476 -4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.314 -6.106 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.991 -7.269 -2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.034 -5.901 -1.116 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.356 -6.494 -0.487 1.00 0.00 H new ATOM 443 N LEU A 47 4.698 -3.393 -6.810 1.00 0.00 N ATOM 444 CA LEU A 47 3.858 -2.173 -6.843 1.00 0.00 C ATOM 445 C LEU A 47 2.742 -2.194 -7.905 1.00 0.00 C ATOM 446 O LEU A 47 1.597 -1.860 -7.596 1.00 0.00 O ATOM 447 CB LEU A 47 4.695 -0.880 -6.879 1.00 0.00 C ATOM 448 CG LEU A 47 5.311 -0.417 -8.209 1.00 0.00 C ATOM 449 CD1 LEU A 47 5.822 1.015 -8.036 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.429 -1.325 -8.733 1.00 0.00 C ATOM 0 H LEU A 47 5.689 -3.215 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 47 3.326 -2.176 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.063 -0.071 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.510 -0.998 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 47 4.526 -0.467 -8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.263 1.360 -8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.992 1.667 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.576 1.040 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.809 -0.928 -9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.238 -1.365 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.037 -2.329 -8.895 1.00 0.00 H new ATOM 452 N PHE A 48 3.019 -2.829 -9.055 1.00 0.00 N ATOM 453 CA PHE A 48 2.049 -2.966 -10.156 1.00 0.00 C ATOM 454 C PHE A 48 0.839 -3.842 -9.771 1.00 0.00 C ATOM 455 O PHE A 48 -0.314 -3.485 -9.997 1.00 0.00 O ATOM 456 CB PHE A 48 2.766 -3.570 -11.365 1.00 0.00 C ATOM 457 CG PHE A 48 2.068 -3.249 -12.702 1.00 0.00 C ATOM 458 CD1 PHE A 48 1.515 -1.968 -12.942 1.00 0.00 C ATOM 459 CD2 PHE A 48 2.050 -4.255 -13.698 1.00 0.00 C ATOM 460 CE1 PHE A 48 0.941 -1.681 -14.206 1.00 0.00 C ATOM 461 CE2 PHE A 48 1.477 -3.969 -14.962 1.00 0.00 C ATOM 462 CZ PHE A 48 0.936 -2.682 -15.201 1.00 0.00 C ATOM 0 H PHE A 48 3.922 -3.262 -9.249 1.00 0.00 H new ATOM 0 HA PHE A 48 1.659 -1.976 -10.391 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.790 -3.197 -11.397 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.825 -4.652 -11.243 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.530 -1.215 -12.168 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.469 -5.230 -13.497 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.513 -0.709 -14.405 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.453 -4.724 -15.734 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.509 -2.461 -16.168 1.00 0.00 H new ATOM 464 N GLU A 49 1.175 -4.955 -9.125 1.00 0.00 N ATOM 465 CA GLU A 49 0.224 -5.934 -8.546 1.00 0.00 C ATOM 466 C GLU A 49 -0.700 -5.278 -7.514 1.00 0.00 C ATOM 467 O GLU A 49 -1.901 -5.223 -7.742 1.00 0.00 O ATOM 468 CB GLU A 49 0.996 -7.089 -7.913 1.00 0.00 C ATOM 469 CG GLU A 49 1.626 -8.052 -8.928 1.00 0.00 C ATOM 470 CD GLU A 49 3.072 -7.709 -9.295 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.294 -6.579 -9.789 1.00 0.00 O ATOM 472 OE2 GLU A 49 3.943 -8.564 -9.047 1.00 0.00 O ATOM 0 H GLU A 49 2.149 -5.221 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.404 -6.317 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.783 -6.681 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.323 -7.650 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.595 -9.063 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.022 -8.054 -9.835 1.00 0.00 H new ATOM 474 N ILE A 50 -0.099 -4.622 -6.521 1.00 0.00 N ATOM 475 CA ILE A 50 -0.861 -3.911 -5.481 1.00 0.00 C ATOM 476 C ILE A 50 -1.766 -2.828 -6.110 1.00 0.00 C ATOM 477 O ILE A 50 -2.970 -2.830 -5.850 1.00 0.00 O ATOM 478 CB ILE A 50 0.060 -3.340 -4.379 1.00 0.00 C ATOM 479 CG1 ILE A 50 0.997 -4.413 -3.813 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.818 -2.736 -3.263 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.074 -3.848 -2.869 1.00 0.00 C ATOM 0 H ILE A 50 0.913 -4.565 -6.410 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.511 -4.634 -4.988 1.00 0.00 H new ATOM 0 HB ILE A 50 0.693 -2.565 -4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.406 -5.154 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.484 -4.932 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.180 -2.329 -2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.436 -1.940 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.459 -3.512 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.702 -4.661 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.689 -3.128 -3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.594 -3.354 -2.024 1.00 0.00 H new ATOM 483 N ALA A 51 -1.224 -2.074 -7.062 1.00 0.00 N ATOM 484 CA ALA A 51 -1.982 -1.068 -7.834 1.00 0.00 C ATOM 485 C ALA A 51 -3.218 -1.618 -8.551 1.00 0.00 C ATOM 486 O ALA A 51 -4.323 -1.136 -8.283 1.00 0.00 O ATOM 487 CB ALA A 51 -1.050 -0.403 -8.837 1.00 0.00 C ATOM 0 H ALA A 51 -0.241 -2.137 -7.329 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.362 -0.347 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.603 0.341 -9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.232 0.083 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.647 -1.156 -9.514 1.00 0.00 H new ATOM 489 N MET A 52 -3.056 -2.694 -9.321 1.00 0.00 N ATOM 490 CA MET A 52 -4.175 -3.358 -10.020 1.00 0.00 C ATOM 491 C MET A 52 -5.193 -3.996 -9.053 1.00 0.00 C ATOM 492 O MET A 52 -6.385 -3.707 -9.118 1.00 0.00 O ATOM 493 CB MET A 52 -3.639 -4.401 -10.994 1.00 0.00 C ATOM 494 CG MET A 52 -2.883 -3.759 -12.164 1.00 0.00 C ATOM 495 SD MET A 52 -2.488 -4.931 -13.517 1.00 0.00 S ATOM 496 CE MET A 52 -1.336 -6.033 -12.722 1.00 0.00 C ATOM 0 H MET A 52 -2.151 -3.135 -9.483 1.00 0.00 H new ATOM 0 HA MET A 52 -4.711 -2.585 -10.570 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.975 -5.084 -10.464 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.467 -4.996 -11.380 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.481 -2.941 -12.566 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.956 -3.323 -11.791 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.987 -6.774 -13.441 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.486 -5.462 -12.347 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.829 -6.537 -11.891 1.00 0.00 H new ATOM 498 N ALA A 53 -4.647 -4.652 -8.027 1.00 0.00 N ATOM 499 CA ALA A 53 -5.394 -5.282 -6.929 1.00 0.00 C ATOM 500 C ALA A 53 -6.282 -4.278 -6.157 1.00 0.00 C ATOM 501 O ALA A 53 -7.424 -4.567 -5.816 1.00 0.00 O ATOM 502 CB ALA A 53 -4.387 -5.903 -5.964 1.00 0.00 C ATOM 0 H ALA A 53 -3.638 -4.765 -7.932 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.058 -6.032 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.918 -6.377 -5.139 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.792 -6.650 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.730 -5.126 -5.573 1.00 0.00 H new ATOM 504 N LEU A 54 -5.726 -3.078 -5.966 1.00 0.00 N ATOM 505 CA LEU A 54 -6.378 -1.987 -5.234 1.00 0.00 C ATOM 506 C LEU A 54 -6.955 -0.885 -6.156 1.00 0.00 C ATOM 507 O LEU A 54 -7.231 0.238 -5.716 1.00 0.00 O ATOM 508 CB LEU A 54 -5.299 -1.467 -4.265 1.00 0.00 C ATOM 509 CG LEU A 54 -5.841 -0.895 -2.954 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.773 -1.865 -2.210 1.00 0.00 C ATOM 511 CD2 LEU A 54 -4.678 -0.502 -2.046 1.00 0.00 C ATOM 0 H LEU A 54 -4.801 -2.834 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.262 -2.337 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.614 -2.282 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.718 -0.695 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.437 -0.020 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.123 -1.399 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.628 -2.105 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.230 -2.779 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.067 -0.095 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.070 -1.381 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.066 0.251 -2.543 1.00 0.00 H new ATOM 513 N ASN A 55 -7.133 -1.245 -7.433 1.00 0.00 N ATOM 514 CA ASN A 55 -7.728 -0.411 -8.510 1.00 0.00 C ATOM 515 C ASN A 55 -7.160 1.028 -8.568 1.00 0.00 C ATOM 516 O ASN A 55 -7.874 1.981 -8.888 1.00 0.00 O ATOM 517 CB ASN A 55 -9.267 -0.363 -8.372 1.00 0.00 C ATOM 518 CG ASN A 55 -10.040 -1.670 -8.643 1.00 0.00 C ATOM 519 OD1 ASN A 55 -9.460 -2.817 -8.392 1.00 0.00 O flip ATOM 520 ND2 ASN A 55 -11.178 -1.657 -9.101 1.00 0.00 N flip ATOM 0 H ASN A 55 -6.856 -2.167 -7.770 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.452 -0.893 -9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.505 -0.033 -7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.644 0.400 -9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.638 -0.768 -9.300 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.664 -2.535 -9.283 1.00 0.00 H new ATOM 522 N CYS A 56 -5.855 1.161 -8.347 1.00 0.00 N ATOM 523 CA CYS A 56 -5.185 2.474 -8.250 1.00 0.00 C ATOM 524 C CYS A 56 -3.828 2.505 -8.968 1.00 0.00 C ATOM 525 O CYS A 56 -3.488 1.609 -9.744 1.00 0.00 O ATOM 526 CB CYS A 56 -5.082 2.895 -6.778 1.00 0.00 C ATOM 527 SG CYS A 56 -4.873 4.705 -6.594 1.00 0.00 S ATOM 0 H CYS A 56 -5.224 0.368 -8.229 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.798 3.207 -8.775 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.979 2.578 -6.247 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.239 2.384 -6.313 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.789 5.254 -7.769 1.00 0.00 H new ATOM 529 N ASP A 57 -3.048 3.543 -8.692 1.00 0.00 N ATOM 530 CA ASP A 57 -1.796 3.867 -9.398 1.00 0.00 C ATOM 531 C ASP A 57 -0.550 3.379 -8.626 1.00 0.00 C ATOM 532 O ASP A 57 -0.426 3.665 -7.430 1.00 0.00 O ATOM 533 CB ASP A 57 -1.805 5.391 -9.553 1.00 0.00 C ATOM 534 CG ASP A 57 -0.625 5.927 -10.371 1.00 0.00 C ATOM 535 OD1 ASP A 57 -0.462 5.464 -11.515 1.00 0.00 O ATOM 536 OD2 ASP A 57 0.214 6.607 -9.738 1.00 0.00 O ATOM 0 H ASP A 57 -3.268 4.208 -7.950 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.742 3.362 -10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.736 5.695 -10.031 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.790 5.849 -8.564 1.00 0.00 H new