USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 13 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Set 1.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 150:sc= -0.0753 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 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 11 THR OG1 : rot 180:sc= -0.0795 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -162:sc= -0.128 (180deg=-0.562) USER MOD Single : A 24 SER OG : rot 180:sc= -1.05 USER MOD Single : A 25 GLN : amide:sc= -0.878! K(o=-0.88!,f=-0.087) USER MOD Single : A 26 THR OG1 : rot 40:sc= 0.029 USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.1) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc=-0.00378 (180deg=-0.102) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0.991 K(o=0.99,f=-3.3!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 56 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.24) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 155:sc= 1.27 USER MOD Single : A 60 SER OG : rot -28:sc= 1.23 USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= 0.701 (180deg=-0.0563) USER MOD Single : A 65 MET CE :methyl 155:sc= -0.131 (180deg=-0.996) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 67 LYS NZ :NH3+ -141:sc= 1.17 (180deg=0.923) USER MOD Single : A 70 HIS : no HD1:sc= -2.04 X(o=-2,f=-2.3) USER MOD Single : A 72 SER OG : rot -81:sc= 0.829 USER MOD Single : A 75 SER OG : rot 59:sc= 1.27 USER MOD Single : A 76 ASN : amide:sc= 1.12 K(o=1.1,f=-0.036) USER MOD Single : A 80 ASN : amide:sc=-0.00993 K(o=-0.0099,f=-0.94) USER MOD Single : A 82 SER OG : rot 180:sc= 0.049 USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 0.587 (180deg=0.568) USER MOD Single : A 86 ASN : amide:sc=-0.00316 K(o=-0.0032,f=-1.1) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -158:sc= 0.881 (180deg=0.597) USER MOD Single : A 97 GLN : amide:sc= -2.41! K(o=-2.4!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.184 -1.149 3.038 1.00 0.00 N ATOM 21 CA PHE A 2 -9.494 -1.778 3.053 1.00 0.00 C ATOM 22 C PHE A 2 -10.558 -0.707 2.857 1.00 0.00 C ATOM 23 O PHE A 2 -10.413 0.403 3.358 1.00 0.00 O ATOM 24 CB PHE A 2 -9.736 -2.499 4.385 1.00 0.00 C ATOM 25 CG PHE A 2 -8.628 -3.425 4.803 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.617 -4.747 4.393 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.601 -2.973 5.616 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.602 -5.600 4.784 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.584 -3.819 6.009 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.585 -5.136 5.593 1.00 0.00 C ATOM 0 HA PHE A 2 -9.543 -2.512 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.883 -1.753 5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.661 -3.070 4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.411 -5.116 3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.596 -1.945 5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.605 -6.629 4.456 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.789 -3.452 6.641 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.792 -5.801 5.900 1.00 0.00 H new ATOM 40 N THR A 3 -11.607 -1.023 2.118 1.00 0.00 N ATOM 41 CA THR A 3 -12.695 -0.081 1.920 1.00 0.00 C ATOM 42 C THR A 3 -14.032 -0.810 1.864 1.00 0.00 C ATOM 43 O THR A 3 -14.115 -1.952 1.397 1.00 0.00 O ATOM 44 CB THR A 3 -12.490 0.767 0.639 1.00 0.00 C ATOM 45 OG1 THR A 3 -13.609 1.640 0.430 1.00 0.00 O ATOM 46 CG2 THR A 3 -12.295 -0.113 -0.585 1.00 0.00 C ATOM 0 H THR A 3 -11.729 -1.920 1.647 1.00 0.00 H new ATOM 0 HA THR A 3 -12.700 0.599 2.772 1.00 0.00 H new ATOM 0 HB THR A 3 -11.588 1.362 0.782 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.309 2.453 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.154 0.514 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.417 -0.743 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 3 -13.174 -0.742 -0.725 1.00 0.00 H new ATOM 54 N ALA A 4 -15.065 -0.154 2.369 1.00 0.00 N ATOM 55 CA ALA A 4 -16.406 -0.712 2.371 1.00 0.00 C ATOM 56 C ALA A 4 -17.394 0.280 1.774 1.00 0.00 C ATOM 57 O ALA A 4 -17.237 1.493 1.926 1.00 0.00 O ATOM 58 CB ALA A 4 -16.819 -1.088 3.785 1.00 0.00 C ATOM 0 H ALA A 4 -14.997 0.774 2.786 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.409 -1.613 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.826 -1.505 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.125 -1.829 4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.802 -0.200 4.417 1.00 0.00 H new ATOM 64 N LYS A 5 -18.396 -0.239 1.081 1.00 0.00 N ATOM 65 CA LYS A 5 -19.427 0.595 0.479 1.00 0.00 C ATOM 66 C LYS A 5 -20.804 -0.002 0.753 1.00 0.00 C ATOM 67 O LYS A 5 -21.024 -1.195 0.531 1.00 0.00 O ATOM 68 CB LYS A 5 -19.179 0.727 -1.029 1.00 0.00 C ATOM 69 CG LYS A 5 -20.208 1.581 -1.758 1.00 0.00 C ATOM 70 CD LYS A 5 -19.773 1.883 -3.187 1.00 0.00 C ATOM 71 CE LYS A 5 -19.592 0.615 -4.010 1.00 0.00 C ATOM 72 NZ LYS A 5 -20.889 -0.024 -4.358 1.00 0.00 N ATOM 0 H LYS A 5 -18.518 -1.239 0.921 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.390 1.590 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.190 1.156 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.169 -0.268 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.168 1.064 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.356 2.515 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.516 2.522 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.837 2.441 -3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.050 0.853 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.979 -0.093 -3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -20.714 -0.883 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -21.396 -0.277 -3.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -21.465 0.640 -4.914 1.00 0.00 H new ATOM 86 N LEU A 6 -21.717 0.825 1.250 1.00 0.00 N ATOM 87 CA LEU A 6 -23.059 0.369 1.606 1.00 0.00 C ATOM 88 C LEU A 6 -23.827 -0.114 0.389 1.00 0.00 C ATOM 89 O LEU A 6 -24.094 0.654 -0.532 1.00 0.00 O ATOM 90 CB LEU A 6 -23.855 1.488 2.277 1.00 0.00 C ATOM 91 CG LEU A 6 -24.140 1.300 3.764 1.00 0.00 C ATOM 92 CD1 LEU A 6 -25.005 2.436 4.280 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.811 -0.042 4.022 1.00 0.00 C ATOM 0 H LEU A 6 -21.553 1.818 1.417 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.935 -0.462 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -23.312 2.424 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -24.806 1.596 1.755 1.00 0.00 H new ATOM 0 HG LEU A 6 -23.191 1.312 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -25.201 2.290 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -24.487 3.384 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.949 2.451 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.004 -0.153 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -25.753 -0.089 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -24.157 -0.846 3.686 1.00 0.00 H new ATOM 105 N ILE A 7 -24.187 -1.385 0.395 1.00 0.00 N ATOM 106 CA ILE A 7 -25.008 -1.945 -0.666 1.00 0.00 C ATOM 107 C ILE A 7 -26.416 -2.230 -0.147 1.00 0.00 C ATOM 108 O ILE A 7 -27.391 -2.174 -0.893 1.00 0.00 O ATOM 109 CB ILE A 7 -24.390 -3.241 -1.242 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.327 -4.342 -0.176 1.00 0.00 C ATOM 111 CG2 ILE A 7 -23.003 -2.958 -1.797 1.00 0.00 C ATOM 112 CD1 ILE A 7 -23.849 -5.676 -0.706 1.00 0.00 C ATOM 0 H ILE A 7 -23.924 -2.050 1.123 1.00 0.00 H new ATOM 0 HA ILE A 7 -25.057 -1.209 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.029 -3.594 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.663 -4.021 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.317 -4.469 0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.578 -3.877 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -23.073 -2.213 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.362 -2.581 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -23.831 -6.404 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.526 -6.021 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -22.846 -5.566 -1.117 1.00 0.00 H new ATOM 124 N LYS A 8 -26.505 -2.504 1.150 1.00 0.00 N ATOM 125 CA LYS A 8 -27.770 -2.853 1.780 1.00 0.00 C ATOM 126 C LYS A 8 -28.502 -1.609 2.267 1.00 0.00 C ATOM 127 O LYS A 8 -29.731 -1.538 2.241 1.00 0.00 O ATOM 128 CB LYS A 8 -27.514 -3.791 2.962 1.00 0.00 C ATOM 129 CG LYS A 8 -28.765 -4.474 3.479 1.00 0.00 C ATOM 130 CD LYS A 8 -29.380 -5.331 2.396 1.00 0.00 C ATOM 131 CE LYS A 8 -30.634 -6.039 2.870 1.00 0.00 C ATOM 132 NZ LYS A 8 -31.221 -6.885 1.801 1.00 0.00 N ATOM 0 H LYS A 8 -25.709 -2.490 1.788 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.395 -3.352 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.793 -4.551 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -27.059 -3.223 3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.520 -5.090 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -29.484 -3.726 3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -29.620 -4.708 1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -28.652 -6.070 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -30.398 -6.658 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -31.368 -5.302 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -32.077 -7.354 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -31.469 -6.290 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -30.529 -7.604 1.508 1.00 0.00 H new ATOM 146 N GLY A 9 -27.739 -0.626 2.710 1.00 0.00 N ATOM 147 CA GLY A 9 -28.330 0.552 3.297 1.00 0.00 C ATOM 148 C GLY A 9 -28.282 1.748 2.376 1.00 0.00 C ATOM 149 O GLY A 9 -28.155 1.600 1.165 1.00 0.00 O ATOM 0 H GLY A 9 -26.720 -0.623 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -29.367 0.341 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -27.809 0.791 4.224 1.00 0.00 H new ATOM 153 N LYS A 10 -28.368 2.926 2.973 1.00 0.00 N ATOM 154 CA LYS A 10 -28.365 4.195 2.265 1.00 0.00 C ATOM 155 C LYS A 10 -27.521 5.163 3.077 1.00 0.00 C ATOM 156 O LYS A 10 -26.727 5.929 2.537 1.00 0.00 O ATOM 157 CB LYS A 10 -29.789 4.756 2.107 1.00 0.00 C ATOM 158 CG LYS A 10 -30.800 3.778 1.520 1.00 0.00 C ATOM 159 CD LYS A 10 -30.437 3.354 0.105 1.00 0.00 C ATOM 160 CE LYS A 10 -31.414 2.314 -0.426 1.00 0.00 C ATOM 161 NZ LYS A 10 -30.996 1.773 -1.747 1.00 0.00 N ATOM 0 H LYS A 10 -28.443 3.028 3.985 1.00 0.00 H new ATOM 0 HA LYS A 10 -27.959 4.055 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.146 5.083 3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -29.748 5.640 1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -30.861 2.896 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -31.788 4.238 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -30.438 4.225 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -29.426 2.947 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -31.496 1.496 0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.404 2.760 -0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -31.690 1.069 -2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -30.942 2.548 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -30.063 1.323 -1.658 1.00 0.00 H new ATOM 175 N THR A 11 -27.708 5.106 4.391 1.00 0.00 N ATOM 176 CA THR A 11 -26.878 5.833 5.340 1.00 0.00 C ATOM 177 C THR A 11 -26.866 5.076 6.668 1.00 0.00 C ATOM 178 O THR A 11 -27.899 4.946 7.324 1.00 0.00 O ATOM 179 CB THR A 11 -27.387 7.272 5.561 1.00 0.00 C ATOM 180 OG1 THR A 11 -27.568 7.923 4.296 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.400 8.069 6.402 1.00 0.00 C ATOM 0 H THR A 11 -28.444 4.551 4.828 1.00 0.00 H new ATOM 0 HA THR A 11 -25.869 5.903 4.933 1.00 0.00 H new ATOM 0 HB THR A 11 -28.339 7.222 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.893 8.836 4.442 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.779 9.081 6.546 1.00 0.00 H new ATOM 0 HG22 THR A 11 -26.276 7.587 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.438 8.111 5.892 1.00 0.00 H new ATOM 189 N TYR A 12 -25.708 4.565 7.049 1.00 0.00 N ATOM 190 CA TYR A 12 -25.600 3.689 8.206 1.00 0.00 C ATOM 191 C TYR A 12 -24.386 4.070 9.049 1.00 0.00 C ATOM 192 O TYR A 12 -23.320 4.379 8.513 1.00 0.00 O ATOM 193 CB TYR A 12 -25.483 2.235 7.729 1.00 0.00 C ATOM 194 CG TYR A 12 -25.748 1.193 8.792 1.00 0.00 C ATOM 195 CD1 TYR A 12 -27.029 0.703 8.997 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.719 0.685 9.576 1.00 0.00 C ATOM 197 CE1 TYR A 12 -27.282 -0.260 9.952 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.961 -0.281 10.532 1.00 0.00 C ATOM 199 CZ TYR A 12 -26.247 -0.750 10.718 1.00 0.00 C ATOM 200 OH TYR A 12 -26.502 -1.718 11.664 1.00 0.00 O ATOM 0 H TYR A 12 -24.824 4.742 6.572 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.491 3.796 8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -26.182 2.080 6.907 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.481 2.079 7.329 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.844 1.082 8.398 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.713 1.052 9.435 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -28.287 -0.628 10.098 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -24.150 -0.668 11.131 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.668 -1.959 12.119 1.00 0.00 H new ATOM 210 N ASN A 13 -24.549 4.048 10.362 1.00 0.00 N ATOM 211 CA ASN A 13 -23.465 4.400 11.270 1.00 0.00 C ATOM 212 C ASN A 13 -22.922 3.152 11.952 1.00 0.00 C ATOM 213 O ASN A 13 -23.611 2.515 12.748 1.00 0.00 O ATOM 214 CB ASN A 13 -23.944 5.406 12.325 1.00 0.00 C ATOM 215 CG ASN A 13 -24.407 6.717 11.718 1.00 0.00 C ATOM 216 OD1 ASN A 13 -25.578 6.878 11.374 1.00 0.00 O ATOM 217 ND2 ASN A 13 -23.496 7.670 11.590 1.00 0.00 N ATOM 0 H ASN A 13 -25.421 3.790 10.825 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.669 4.862 10.687 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.762 4.966 12.895 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.134 5.602 13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.756 8.574 11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.535 7.500 11.886 1.00 0.00 H new ATOM 224 N VAL A 14 -21.689 2.801 11.621 1.00 0.00 N ATOM 225 CA VAL A 14 -21.038 1.632 12.194 1.00 0.00 C ATOM 226 C VAL A 14 -20.053 2.052 13.278 1.00 0.00 C ATOM 227 O VAL A 14 -18.972 2.563 12.973 1.00 0.00 O ATOM 228 CB VAL A 14 -20.293 0.814 11.114 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.463 -0.298 11.739 1.00 0.00 C ATOM 230 CG2 VAL A 14 -21.274 0.243 10.104 1.00 0.00 C ATOM 0 H VAL A 14 -21.114 3.314 10.952 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.816 1.004 12.629 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.613 1.489 10.595 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.951 -0.855 10.954 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.726 0.134 12.416 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.116 -0.971 12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.730 -0.329 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.983 -0.409 10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.813 1.057 9.620 1.00 0.00 H new ATOM 240 N MET A 15 -20.448 1.849 14.536 1.00 0.00 N ATOM 241 CA MET A 15 -19.626 2.199 15.701 1.00 0.00 C ATOM 242 C MET A 15 -19.439 3.713 15.794 1.00 0.00 C ATOM 243 O MET A 15 -20.124 4.387 16.564 1.00 0.00 O ATOM 244 CB MET A 15 -18.263 1.492 15.653 1.00 0.00 C ATOM 245 CG MET A 15 -17.418 1.689 16.903 1.00 0.00 C ATOM 246 SD MET A 15 -15.767 0.980 16.745 1.00 0.00 S ATOM 247 CE MET A 15 -16.158 -0.736 16.402 1.00 0.00 C ATOM 0 H MET A 15 -21.349 1.436 14.779 1.00 0.00 H new ATOM 0 HA MET A 15 -20.151 1.858 16.593 1.00 0.00 H new ATOM 0 HB2 MET A 15 -18.424 0.425 15.501 1.00 0.00 H new ATOM 0 HB3 MET A 15 -17.706 1.857 14.790 1.00 0.00 H new ATOM 0 HG2 MET A 15 -17.333 2.755 17.115 1.00 0.00 H new ATOM 0 HG3 MET A 15 -17.924 1.234 17.754 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.281 -1.354 16.593 1.00 0.00 H new ATOM 0 HE2 MET A 15 -16.977 -1.058 17.046 1.00 0.00 H new ATOM 0 HE3 MET A 15 -16.455 -0.840 15.358 1.00 0.00 H new ATOM 257 N GLY A 16 -18.520 4.234 14.997 1.00 0.00 N ATOM 258 CA GLY A 16 -18.286 5.662 14.942 1.00 0.00 C ATOM 259 C GLY A 16 -18.007 6.117 13.526 1.00 0.00 C ATOM 260 O GLY A 16 -17.587 7.251 13.291 1.00 0.00 O ATOM 0 H GLY A 16 -17.924 3.684 14.378 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.156 6.191 15.332 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.443 5.920 15.582 1.00 0.00 H new ATOM 264 N ILE A 17 -18.242 5.219 12.575 1.00 0.00 N ATOM 265 CA ILE A 17 -17.989 5.499 11.169 1.00 0.00 C ATOM 266 C ILE A 17 -19.313 5.665 10.434 1.00 0.00 C ATOM 267 O ILE A 17 -20.266 4.932 10.691 1.00 0.00 O ATOM 268 CB ILE A 17 -17.180 4.361 10.504 1.00 0.00 C ATOM 269 CG1 ILE A 17 -16.014 3.922 11.399 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.662 4.803 9.142 1.00 0.00 C ATOM 271 CD1 ILE A 17 -15.005 5.014 11.686 1.00 0.00 C ATOM 0 H ILE A 17 -18.610 4.285 12.756 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.406 6.418 11.109 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.845 3.508 10.367 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -16.414 3.556 12.344 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.502 3.085 10.924 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.095 3.991 8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.503 5.062 8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.016 5.673 9.263 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.214 4.620 12.325 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.573 5.366 10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.500 5.843 12.191 1.00 0.00 H new ATOM 283 N THR A 18 -19.381 6.626 9.530 1.00 0.00 N ATOM 284 CA THR A 18 -20.608 6.884 8.797 1.00 0.00 C ATOM 285 C THR A 18 -20.478 6.457 7.341 1.00 0.00 C ATOM 286 O THR A 18 -19.705 7.037 6.578 1.00 0.00 O ATOM 287 CB THR A 18 -20.981 8.370 8.861 1.00 0.00 C ATOM 288 OG1 THR A 18 -20.928 8.816 10.223 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.377 8.601 8.299 1.00 0.00 C ATOM 0 H THR A 18 -18.603 7.239 9.286 1.00 0.00 H new ATOM 0 HA THR A 18 -21.397 6.297 9.267 1.00 0.00 H new ATOM 0 HB THR A 18 -20.270 8.936 8.259 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.165 9.766 10.266 1.00 0.00 H new ATOM 0 HG21 THR A 18 -22.621 9.662 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.409 8.275 7.259 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.102 8.031 8.880 1.00 0.00 H new ATOM 297 N PHE A 19 -21.232 5.440 6.964 1.00 0.00 N ATOM 298 CA PHE A 19 -21.233 4.957 5.593 1.00 0.00 C ATOM 299 C PHE A 19 -22.527 5.344 4.901 1.00 0.00 C ATOM 300 O PHE A 19 -23.572 5.450 5.536 1.00 0.00 O ATOM 301 CB PHE A 19 -21.078 3.437 5.552 1.00 0.00 C ATOM 302 CG PHE A 19 -19.787 2.933 6.130 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.634 2.902 5.362 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.731 2.485 7.439 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.449 2.430 5.890 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.549 2.010 7.970 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.407 1.986 7.195 1.00 0.00 C ATOM 0 H PHE A 19 -21.855 4.930 7.591 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.390 5.415 5.076 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.907 2.984 6.095 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.154 3.103 4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.663 3.251 4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.621 2.508 8.050 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.557 2.408 5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.518 1.658 8.990 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.480 1.619 7.611 1.00 0.00 H new ATOM 317 N ARG A 20 -22.457 5.564 3.604 1.00 0.00 N ATOM 318 CA ARG A 20 -23.642 5.853 2.815 1.00 0.00 C ATOM 319 C ARG A 20 -23.618 4.996 1.562 1.00 0.00 C ATOM 320 O ARG A 20 -22.544 4.726 1.026 1.00 0.00 O ATOM 321 CB ARG A 20 -23.707 7.341 2.444 1.00 0.00 C ATOM 322 CG ARG A 20 -23.622 8.274 3.643 1.00 0.00 C ATOM 323 CD ARG A 20 -23.813 9.730 3.252 1.00 0.00 C ATOM 324 NE ARG A 20 -25.193 10.023 2.862 1.00 0.00 N ATOM 325 CZ ARG A 20 -25.971 10.904 3.496 1.00 0.00 C ATOM 326 NH1 ARG A 20 -25.512 11.558 4.560 1.00 0.00 N ATOM 327 NH2 ARG A 20 -27.209 11.121 3.072 1.00 0.00 N ATOM 0 H ARG A 20 -21.588 5.548 3.070 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.529 5.621 3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.893 7.571 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.638 7.533 1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.380 7.993 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.653 8.154 4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.531 10.369 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.145 9.973 2.426 1.00 0.00 H new ATOM 0 HE ARG A 20 -25.582 9.526 2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -24.563 11.387 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -26.109 12.230 5.042 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -27.567 10.615 2.262 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -27.803 11.794 3.556 1.00 0.00 H new ATOM 341 N ALA A 21 -24.780 4.526 1.125 1.00 0.00 N ATOM 342 CA ALA A 21 -24.857 3.731 -0.097 1.00 0.00 C ATOM 343 C ALA A 21 -24.246 4.472 -1.279 1.00 0.00 C ATOM 344 O ALA A 21 -24.594 5.621 -1.555 1.00 0.00 O ATOM 345 CB ALA A 21 -26.291 3.352 -0.395 1.00 0.00 C ATOM 0 H ALA A 21 -25.674 4.679 1.592 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.280 2.820 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.328 2.760 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.692 2.767 0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.887 4.256 -0.523 1.00 0.00 H new ATOM 351 N GLY A 22 -23.321 3.813 -1.963 1.00 0.00 N ATOM 352 CA GLY A 22 -22.648 4.431 -3.087 1.00 0.00 C ATOM 353 C GLY A 22 -21.346 5.088 -2.682 1.00 0.00 C ATOM 354 O GLY A 22 -20.527 5.439 -3.532 1.00 0.00 O ATOM 0 H GLY A 22 -23.024 2.859 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.451 3.678 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.305 5.176 -3.537 1.00 0.00 H new ATOM 358 N VAL A 23 -21.153 5.246 -1.380 1.00 0.00 N ATOM 359 CA VAL A 23 -19.959 5.887 -0.851 1.00 0.00 C ATOM 360 C VAL A 23 -18.994 4.852 -0.283 1.00 0.00 C ATOM 361 O VAL A 23 -19.301 4.180 0.704 1.00 0.00 O ATOM 362 CB VAL A 23 -20.320 6.906 0.253 1.00 0.00 C ATOM 363 CG1 VAL A 23 -19.072 7.568 0.822 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.286 7.953 -0.280 1.00 0.00 C ATOM 0 H VAL A 23 -21.813 4.936 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.478 6.412 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.809 6.364 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.359 8.280 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.420 6.807 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.543 8.092 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.528 8.661 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.824 8.484 -1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.199 7.465 -0.622 1.00 0.00 H new ATOM 374 N SER A 24 -17.843 4.712 -0.922 1.00 0.00 N ATOM 375 CA SER A 24 -16.790 3.844 -0.421 1.00 0.00 C ATOM 376 C SER A 24 -15.935 4.601 0.588 1.00 0.00 C ATOM 377 O SER A 24 -15.593 5.768 0.368 1.00 0.00 O ATOM 378 CB SER A 24 -15.919 3.349 -1.576 1.00 0.00 C ATOM 379 OG SER A 24 -16.711 2.756 -2.590 1.00 0.00 O ATOM 0 H SER A 24 -17.614 5.191 -1.793 1.00 0.00 H new ATOM 0 HA SER A 24 -17.244 2.983 0.069 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.353 4.182 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.194 2.624 -1.205 1.00 0.00 H new ATOM 0 HG SER A 24 -16.133 2.448 -3.319 1.00 0.00 H new ATOM 385 N GLN A 25 -15.607 3.955 1.694 1.00 0.00 N ATOM 386 CA GLN A 25 -14.804 4.587 2.725 1.00 0.00 C ATOM 387 C GLN A 25 -13.767 3.607 3.257 1.00 0.00 C ATOM 388 O GLN A 25 -14.081 2.445 3.521 1.00 0.00 O ATOM 389 CB GLN A 25 -15.709 5.084 3.853 1.00 0.00 C ATOM 390 CG GLN A 25 -15.027 6.024 4.834 1.00 0.00 C ATOM 391 CD GLN A 25 -16.010 6.642 5.808 1.00 0.00 C ATOM 392 OE1 GLN A 25 -15.666 6.971 6.944 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.248 6.804 5.365 1.00 0.00 N ATOM 0 H GLN A 25 -15.884 2.995 1.900 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.278 5.441 2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.568 5.594 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -16.094 4.223 4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.263 5.478 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.517 6.815 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.492 6.518 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.957 7.215 5.972 1.00 0.00 H new ATOM 402 N THR A 26 -12.534 4.076 3.392 1.00 0.00 N ATOM 403 CA THR A 26 -11.438 3.235 3.848 1.00 0.00 C ATOM 404 C THR A 26 -11.582 2.880 5.325 1.00 0.00 C ATOM 405 O THR A 26 -11.797 3.756 6.167 1.00 0.00 O ATOM 406 CB THR A 26 -10.086 3.929 3.617 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.179 5.306 4.002 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.661 3.829 2.158 1.00 0.00 C ATOM 0 H THR A 26 -12.268 5.040 3.191 1.00 0.00 H new ATOM 0 HA THR A 26 -11.475 2.314 3.266 1.00 0.00 H new ATOM 0 HB THR A 26 -9.334 3.427 4.226 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.714 5.382 4.819 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.701 4.328 2.023 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.567 2.780 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.410 4.307 1.527 1.00 0.00 H new ATOM 416 N VAL A 27 -11.454 1.597 5.626 1.00 0.00 N ATOM 417 CA VAL A 27 -11.593 1.109 6.988 1.00 0.00 C ATOM 418 C VAL A 27 -10.378 0.283 7.396 1.00 0.00 C ATOM 419 O VAL A 27 -9.665 -0.252 6.544 1.00 0.00 O ATOM 420 CB VAL A 27 -12.865 0.246 7.161 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.112 1.069 6.896 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.828 -0.979 6.255 1.00 0.00 C ATOM 0 H VAL A 27 -11.253 0.871 4.939 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.674 1.987 7.629 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.894 -0.102 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.995 0.443 7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.154 1.902 7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.084 1.454 5.877 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.735 -1.566 6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.763 -0.660 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.959 -1.588 6.502 1.00 0.00 H new ATOM 432 N PRO A 28 -10.107 0.194 8.706 1.00 0.00 N ATOM 433 CA PRO A 28 -9.055 -0.670 9.242 1.00 0.00 C ATOM 434 C PRO A 28 -9.432 -2.144 9.130 1.00 0.00 C ATOM 435 O PRO A 28 -10.597 -2.478 8.890 1.00 0.00 O ATOM 436 CB PRO A 28 -8.951 -0.257 10.721 1.00 0.00 C ATOM 437 CG PRO A 28 -9.741 1.004 10.843 1.00 0.00 C ATOM 438 CD PRO A 28 -10.786 0.943 9.769 1.00 0.00 C ATOM 0 HA PRO A 28 -8.117 -0.558 8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.350 -1.034 11.374 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.912 -0.098 11.011 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.199 1.084 11.829 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.102 1.878 10.717 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.689 0.436 10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.085 1.937 9.437 1.00 0.00 H new ATOM 446 N LYS A 29 -8.452 -3.018 9.329 1.00 0.00 N ATOM 447 CA LYS A 29 -8.666 -4.459 9.223 1.00 0.00 C ATOM 448 C LYS A 29 -9.776 -4.919 10.170 1.00 0.00 C ATOM 449 O LYS A 29 -10.577 -5.794 9.828 1.00 0.00 O ATOM 450 CB LYS A 29 -7.364 -5.200 9.537 1.00 0.00 C ATOM 451 CG LYS A 29 -7.432 -6.698 9.290 1.00 0.00 C ATOM 452 CD LYS A 29 -6.108 -7.371 9.612 1.00 0.00 C ATOM 453 CE LYS A 29 -6.153 -8.861 9.321 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.080 -9.592 10.226 1.00 0.00 N ATOM 0 H LYS A 29 -7.496 -2.753 9.566 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.975 -4.688 8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.562 -4.778 8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.101 -5.025 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.222 -7.134 9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.694 -6.886 8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.313 -6.909 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.864 -7.212 10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.462 -9.017 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.151 -9.277 9.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.974 -10.616 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.855 -9.360 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.060 -9.312 10.019 1.00 0.00 H new ATOM 468 N LYS A 30 -9.827 -4.302 11.351 1.00 0.00 N ATOM 469 CA LYS A 30 -10.836 -4.622 12.356 1.00 0.00 C ATOM 470 C LYS A 30 -12.244 -4.462 11.789 1.00 0.00 C ATOM 471 O LYS A 30 -13.070 -5.371 11.878 1.00 0.00 O ATOM 472 CB LYS A 30 -10.676 -3.714 13.576 1.00 0.00 C ATOM 473 CG LYS A 30 -9.356 -3.884 14.310 1.00 0.00 C ATOM 474 CD LYS A 30 -9.217 -2.851 15.416 1.00 0.00 C ATOM 475 CE LYS A 30 -7.930 -3.032 16.203 1.00 0.00 C ATOM 476 NZ LYS A 30 -7.924 -4.299 16.983 1.00 0.00 N ATOM 0 H LYS A 30 -9.174 -3.572 11.635 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.693 -5.661 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.771 -2.676 13.257 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.493 -3.910 14.270 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.296 -4.887 14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.529 -3.785 13.607 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.240 -1.851 14.983 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.069 -2.926 16.092 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.082 -3.025 15.518 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.799 -2.189 16.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.111 -4.303 17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.805 -4.373 17.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.852 -5.107 16.332 1.00 0.00 H new ATOM 490 N LEU A 31 -12.504 -3.308 11.187 1.00 0.00 N ATOM 491 CA LEU A 31 -13.827 -3.002 10.666 1.00 0.00 C ATOM 492 C LEU A 31 -14.109 -3.789 9.394 1.00 0.00 C ATOM 493 O LEU A 31 -15.254 -4.129 9.116 1.00 0.00 O ATOM 494 CB LEU A 31 -13.972 -1.501 10.405 1.00 0.00 C ATOM 495 CG LEU A 31 -13.932 -0.616 11.654 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.079 0.850 11.274 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.024 -1.025 12.633 1.00 0.00 C ATOM 0 H LEU A 31 -11.814 -2.569 11.048 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.558 -3.296 11.419 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.175 -1.187 9.731 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.915 -1.328 9.886 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.966 -0.751 12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.048 1.464 12.174 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.263 1.137 10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.031 1.000 10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.981 -0.385 13.515 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.998 -0.920 12.156 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.876 -2.063 12.930 1.00 0.00 H new ATOM 509 N TYR A 32 -13.061 -4.089 8.637 1.00 0.00 N ATOM 510 CA TYR A 32 -13.200 -4.859 7.406 1.00 0.00 C ATOM 511 C TYR A 32 -13.816 -6.228 7.695 1.00 0.00 C ATOM 512 O TYR A 32 -14.747 -6.654 7.017 1.00 0.00 O ATOM 513 CB TYR A 32 -11.836 -5.023 6.728 1.00 0.00 C ATOM 514 CG TYR A 32 -11.889 -5.775 5.415 1.00 0.00 C ATOM 515 CD1 TYR A 32 -12.302 -5.147 4.246 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.521 -7.113 5.344 1.00 0.00 C ATOM 517 CE1 TYR A 32 -12.349 -5.829 3.047 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.565 -7.803 4.147 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.979 -7.157 3.003 1.00 0.00 C ATOM 520 OH TYR A 32 -12.022 -7.840 1.810 1.00 0.00 O ATOM 0 H TYR A 32 -12.104 -3.811 8.854 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.865 -4.318 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.407 -4.036 6.553 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.164 -5.546 7.408 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.591 -4.107 4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.195 -7.622 6.239 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.674 -5.326 2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.276 -8.843 4.109 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.729 -8.764 1.952 1.00 0.00 H new ATOM 530 N GLU A 33 -13.303 -6.904 8.714 1.00 0.00 N ATOM 531 CA GLU A 33 -13.810 -8.223 9.075 1.00 0.00 C ATOM 532 C GLU A 33 -15.089 -8.112 9.901 1.00 0.00 C ATOM 533 O GLU A 33 -15.943 -9.004 9.874 1.00 0.00 O ATOM 534 CB GLU A 33 -12.736 -9.018 9.816 1.00 0.00 C ATOM 535 CG GLU A 33 -11.558 -9.373 8.924 1.00 0.00 C ATOM 536 CD GLU A 33 -10.427 -10.045 9.671 1.00 0.00 C ATOM 537 OE1 GLU A 33 -9.741 -9.369 10.468 1.00 0.00 O ATOM 538 OE2 GLU A 33 -10.198 -11.252 9.444 1.00 0.00 O ATOM 0 H GLU A 33 -12.542 -6.565 9.302 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.060 -8.760 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.381 -8.438 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.175 -9.933 10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.900 -10.032 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.183 -8.466 8.450 1.00 0.00 H new ATOM 545 N TYR A 34 -15.235 -7.005 10.615 1.00 0.00 N ATOM 546 CA TYR A 34 -16.469 -6.723 11.332 1.00 0.00 C ATOM 547 C TYR A 34 -17.620 -6.572 10.337 1.00 0.00 C ATOM 548 O TYR A 34 -18.720 -7.079 10.552 1.00 0.00 O ATOM 549 CB TYR A 34 -16.315 -5.452 12.171 1.00 0.00 C ATOM 550 CG TYR A 34 -17.534 -5.112 13.002 1.00 0.00 C ATOM 551 CD1 TYR A 34 -17.741 -5.706 14.239 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.478 -4.197 12.547 1.00 0.00 C ATOM 553 CE1 TYR A 34 -18.852 -5.396 15.002 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.590 -3.882 13.304 1.00 0.00 C ATOM 555 CZ TYR A 34 -19.773 -4.485 14.530 1.00 0.00 C ATOM 556 OH TYR A 34 -20.881 -4.176 15.287 1.00 0.00 O ATOM 0 H TYR A 34 -14.515 -6.289 10.713 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.690 -7.552 12.004 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.457 -5.568 12.833 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.095 -4.615 11.508 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.023 -6.422 14.612 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.339 -3.725 11.586 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.998 -5.866 15.964 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.312 -3.167 12.937 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.429 -3.517 14.811 1.00 0.00 H new ATOM 566 N LEU A 35 -17.344 -5.887 9.235 1.00 0.00 N ATOM 567 CA LEU A 35 -18.328 -5.703 8.178 1.00 0.00 C ATOM 568 C LEU A 35 -18.316 -6.889 7.222 1.00 0.00 C ATOM 569 O LEU A 35 -19.160 -6.997 6.341 1.00 0.00 O ATOM 570 CB LEU A 35 -18.064 -4.401 7.415 1.00 0.00 C ATOM 571 CG LEU A 35 -18.090 -3.132 8.273 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.864 -1.898 7.414 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.405 -3.027 9.032 1.00 0.00 C ATOM 0 H LEU A 35 -16.442 -5.448 9.050 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.314 -5.640 8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.091 -4.473 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.809 -4.303 6.625 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.280 -3.193 9.000 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.886 -1.008 8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.894 -1.970 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.649 -1.830 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.405 -2.120 9.636 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.232 -2.991 8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.521 -3.895 9.681 1.00 0.00 H new ATOM 585 N ASN A 36 -17.342 -7.770 7.394 1.00 0.00 N ATOM 586 CA ASN A 36 -17.308 -9.027 6.656 1.00 0.00 C ATOM 587 C ASN A 36 -18.390 -9.954 7.188 1.00 0.00 C ATOM 588 O ASN A 36 -18.968 -10.751 6.449 1.00 0.00 O ATOM 589 CB ASN A 36 -15.919 -9.671 6.765 1.00 0.00 C ATOM 590 CG ASN A 36 -15.813 -11.005 6.049 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.651 -11.061 4.829 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.859 -12.090 6.803 1.00 0.00 N ATOM 0 H ASN A 36 -16.563 -7.639 8.039 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.502 -8.837 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.177 -8.987 6.354 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.674 -9.812 7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.759 -13.011 6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.995 -12.006 7.810 1.00 0.00 H new ATOM 599 N GLU A 37 -18.661 -9.830 8.481 1.00 0.00 N ATOM 600 CA GLU A 37 -19.777 -10.530 9.102 1.00 0.00 C ATOM 601 C GLU A 37 -21.106 -9.853 8.749 1.00 0.00 C ATOM 602 O GLU A 37 -22.108 -10.522 8.498 1.00 0.00 O ATOM 603 CB GLU A 37 -19.594 -10.569 10.623 1.00 0.00 C ATOM 604 CG GLU A 37 -20.825 -11.048 11.370 1.00 0.00 C ATOM 605 CD GLU A 37 -20.612 -11.119 12.866 1.00 0.00 C ATOM 606 OE1 GLU A 37 -20.243 -10.094 13.474 1.00 0.00 O ATOM 607 OE2 GLU A 37 -20.823 -12.205 13.445 1.00 0.00 O ATOM 0 H GLU A 37 -18.121 -9.249 9.122 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.798 -11.551 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.756 -11.223 10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.331 -9.571 10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.657 -10.377 11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.108 -12.034 11.001 1.00 0.00 H new ATOM 614 N ASN A 38 -21.094 -8.525 8.718 1.00 0.00 N ATOM 615 CA ASN A 38 -22.308 -7.742 8.485 1.00 0.00 C ATOM 616 C ASN A 38 -22.575 -7.551 6.992 1.00 0.00 C ATOM 617 O ASN A 38 -21.886 -6.785 6.322 1.00 0.00 O ATOM 618 CB ASN A 38 -22.202 -6.382 9.182 1.00 0.00 C ATOM 619 CG ASN A 38 -22.421 -6.477 10.682 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.544 -6.341 11.164 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.354 -6.712 11.432 1.00 0.00 N ATOM 0 H ASN A 38 -20.253 -7.963 8.852 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.148 -8.296 8.905 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.218 -5.954 8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -22.936 -5.700 8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.449 -6.786 12.445 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.438 -6.819 10.996 1.00 0.00 H new ATOM 628 N PRO A 39 -23.610 -8.220 6.462 1.00 0.00 N ATOM 629 CA PRO A 39 -23.908 -8.227 5.023 1.00 0.00 C ATOM 630 C PRO A 39 -24.603 -6.952 4.536 1.00 0.00 C ATOM 631 O PRO A 39 -25.558 -7.011 3.763 1.00 0.00 O ATOM 632 CB PRO A 39 -24.841 -9.429 4.884 1.00 0.00 C ATOM 633 CG PRO A 39 -25.564 -9.492 6.185 1.00 0.00 C ATOM 634 CD PRO A 39 -24.585 -9.027 7.228 1.00 0.00 C ATOM 0 HA PRO A 39 -23.000 -8.280 4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.533 -9.301 4.051 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.282 -10.346 4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.449 -8.856 6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.904 -10.507 6.394 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.075 -8.435 8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.104 -9.868 7.728 1.00 0.00 H new ATOM 642 N TYR A 40 -24.113 -5.797 4.969 1.00 0.00 N ATOM 643 CA TYR A 40 -24.683 -4.530 4.529 1.00 0.00 C ATOM 644 C TYR A 40 -23.809 -3.880 3.466 1.00 0.00 C ATOM 645 O TYR A 40 -24.247 -2.967 2.760 1.00 0.00 O ATOM 646 CB TYR A 40 -24.825 -3.533 5.681 1.00 0.00 C ATOM 647 CG TYR A 40 -25.611 -4.012 6.879 1.00 0.00 C ATOM 648 CD1 TYR A 40 -24.988 -4.706 7.906 1.00 0.00 C ATOM 649 CD2 TYR A 40 -26.965 -3.734 7.001 1.00 0.00 C ATOM 650 CE1 TYR A 40 -25.693 -5.116 9.019 1.00 0.00 C ATOM 651 CE2 TYR A 40 -27.675 -4.134 8.115 1.00 0.00 C ATOM 652 CZ TYR A 40 -27.035 -4.827 9.121 1.00 0.00 C ATOM 653 OH TYR A 40 -27.736 -5.220 10.238 1.00 0.00 O ATOM 0 H TYR A 40 -23.330 -5.711 5.618 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.668 -4.766 4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -23.827 -3.250 6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -25.300 -2.630 5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -23.934 -4.929 7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -27.471 -3.197 6.213 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -25.194 -5.661 9.807 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -28.727 -3.905 8.198 1.00 0.00 H new ATOM 0 HH TYR A 40 -28.671 -4.938 10.154 1.00 0.00 H new ATOM 663 N PHE A 41 -22.570 -4.333 3.355 1.00 0.00 N ATOM 664 CA PHE A 41 -21.590 -3.635 2.541 1.00 0.00 C ATOM 665 C PHE A 41 -20.964 -4.554 1.510 1.00 0.00 C ATOM 666 O PHE A 41 -20.989 -5.777 1.652 1.00 0.00 O ATOM 667 CB PHE A 41 -20.475 -3.069 3.430 1.00 0.00 C ATOM 668 CG PHE A 41 -20.958 -2.174 4.536 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.345 -2.703 5.757 1.00 0.00 C ATOM 670 CD2 PHE A 41 -21.017 -0.803 4.356 1.00 0.00 C ATOM 671 CE1 PHE A 41 -21.784 -1.881 6.776 1.00 0.00 C ATOM 672 CE2 PHE A 41 -21.452 0.022 5.373 1.00 0.00 C ATOM 673 CZ PHE A 41 -21.837 -0.517 6.584 1.00 0.00 C ATOM 0 H PHE A 41 -22.222 -5.174 3.815 1.00 0.00 H new ATOM 0 HA PHE A 41 -22.112 -2.829 2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -19.919 -3.898 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.777 -2.511 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -21.303 -3.771 5.913 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.720 -0.375 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.085 -2.306 7.722 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -21.491 1.091 5.221 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.179 0.129 7.379 1.00 0.00 H new ATOM 683 N ILE A 42 -20.411 -3.955 0.469 1.00 0.00 N ATOM 684 CA ILE A 42 -19.519 -4.672 -0.419 1.00 0.00 C ATOM 685 C ILE A 42 -18.091 -4.370 0.016 1.00 0.00 C ATOM 686 O ILE A 42 -17.743 -3.216 0.286 1.00 0.00 O ATOM 687 CB ILE A 42 -19.730 -4.305 -1.913 1.00 0.00 C ATOM 688 CG1 ILE A 42 -19.012 -5.316 -2.809 1.00 0.00 C ATOM 689 CG2 ILE A 42 -19.243 -2.891 -2.216 1.00 0.00 C ATOM 690 CD1 ILE A 42 -19.273 -5.111 -4.287 1.00 0.00 C ATOM 0 H ILE A 42 -20.565 -2.978 0.221 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.732 -5.738 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.800 -4.339 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -17.939 -5.253 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -19.324 -6.322 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.406 -2.668 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -19.795 -2.177 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.179 -2.816 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -18.732 -5.864 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -20.341 -5.203 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -18.934 -4.118 -4.582 1.00 0.00 H new ATOM 702 N LEU A 43 -17.288 -5.404 0.150 1.00 0.00 N ATOM 703 CA LEU A 43 -15.959 -5.252 0.706 1.00 0.00 C ATOM 704 C LEU A 43 -14.900 -5.416 -0.362 1.00 0.00 C ATOM 705 O LEU A 43 -14.964 -6.321 -1.196 1.00 0.00 O ATOM 706 CB LEU A 43 -15.749 -6.255 1.835 1.00 0.00 C ATOM 707 CG LEU A 43 -16.697 -6.078 3.019 1.00 0.00 C ATOM 708 CD1 LEU A 43 -16.621 -7.271 3.945 1.00 0.00 C ATOM 709 CD2 LEU A 43 -16.369 -4.801 3.776 1.00 0.00 C ATOM 0 H LEU A 43 -17.531 -6.358 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.867 -4.244 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.869 -7.263 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.722 -6.173 2.192 1.00 0.00 H new ATOM 0 HG LEU A 43 -17.714 -6.004 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.304 -7.126 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.901 -8.173 3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.603 -7.376 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.054 -4.690 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.345 -4.850 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.472 -3.946 3.108 1.00 0.00 H new ATOM 721 N THR A 44 -13.939 -4.515 -0.351 1.00 0.00 N ATOM 722 CA THR A 44 -12.857 -4.538 -1.308 1.00 0.00 C ATOM 723 C THR A 44 -11.569 -4.075 -0.638 1.00 0.00 C ATOM 724 O THR A 44 -11.567 -3.090 0.098 1.00 0.00 O ATOM 725 CB THR A 44 -13.184 -3.623 -2.509 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.516 -3.885 -2.969 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.210 -3.848 -3.652 1.00 0.00 C ATOM 0 H THR A 44 -13.888 -3.749 0.321 1.00 0.00 H new ATOM 0 HA THR A 44 -12.728 -5.558 -1.671 1.00 0.00 H new ATOM 0 HB THR A 44 -13.099 -2.588 -2.177 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.720 -3.302 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.466 -3.190 -4.483 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.197 -3.630 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.268 -4.886 -3.980 1.00 0.00 H new ATOM 877 N PRO A 54 11.547 -2.602 2.274 1.00 0.00 N ATOM 878 CA PRO A 54 11.225 -3.579 3.302 1.00 0.00 C ATOM 879 C PRO A 54 12.440 -3.994 4.119 1.00 0.00 C ATOM 880 O PRO A 54 13.000 -5.071 3.920 1.00 0.00 O ATOM 881 CB PRO A 54 10.683 -4.758 2.492 1.00 0.00 C ATOM 882 CG PRO A 54 11.314 -4.644 1.133 1.00 0.00 C ATOM 883 CD PRO A 54 11.920 -3.263 1.018 1.00 0.00 C ATOM 0 HA PRO A 54 10.524 -3.187 4.039 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.938 -5.707 2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.596 -4.719 2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.079 -5.409 1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.570 -4.801 0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.002 -3.311 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.528 -2.727 0.154 1.00 0.00 H new ATOM 891 N ILE A 55 12.849 -3.120 5.026 1.00 0.00 N ATOM 892 CA ILE A 55 13.996 -3.376 5.885 1.00 0.00 C ATOM 893 C ILE A 55 14.057 -2.312 6.984 1.00 0.00 C ATOM 894 O ILE A 55 15.106 -2.005 7.540 1.00 0.00 O ATOM 895 CB ILE A 55 15.297 -3.405 5.046 1.00 0.00 C ATOM 896 CG1 ILE A 55 16.506 -3.803 5.902 1.00 0.00 C ATOM 897 CG2 ILE A 55 15.533 -2.067 4.363 1.00 0.00 C ATOM 898 CD1 ILE A 55 16.367 -5.157 6.564 1.00 0.00 C ATOM 0 H ILE A 55 12.399 -2.219 5.187 1.00 0.00 H new ATOM 0 HA ILE A 55 13.890 -4.352 6.359 1.00 0.00 H new ATOM 0 HB ILE A 55 15.175 -4.164 4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 55 17.398 -3.805 5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.659 -3.047 6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.453 -2.113 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.696 -1.843 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.620 -1.284 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.260 -5.368 7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.495 -5.154 7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.245 -5.925 5.800 1.00 0.00 H new ATOM 910 N ASN A 56 12.889 -1.785 7.324 1.00 0.00 N ATOM 911 CA ASN A 56 12.775 -0.710 8.298 1.00 0.00 C ATOM 912 C ASN A 56 11.354 -0.642 8.834 1.00 0.00 C ATOM 913 O ASN A 56 10.418 -0.284 8.121 1.00 0.00 O ATOM 914 CB ASN A 56 13.198 0.639 7.696 1.00 0.00 C ATOM 915 CG ASN A 56 12.562 0.935 6.349 1.00 0.00 C ATOM 916 OD1 ASN A 56 11.485 1.526 6.261 1.00 0.00 O ATOM 917 ND2 ASN A 56 13.246 0.550 5.287 1.00 0.00 N ATOM 0 H ASN A 56 11.997 -2.090 6.934 1.00 0.00 H new ATOM 0 HA ASN A 56 13.453 -0.924 9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.937 1.435 8.393 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.282 0.653 7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.886 0.740 4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.135 0.063 5.402 1.00 0.00 H new ATOM 924 N TYR A 57 11.198 -1.027 10.090 1.00 0.00 N ATOM 925 CA TYR A 57 9.890 -1.087 10.723 1.00 0.00 C ATOM 926 C TYR A 57 10.005 -0.632 12.171 1.00 0.00 C ATOM 927 O TYR A 57 11.109 -0.370 12.657 1.00 0.00 O ATOM 928 CB TYR A 57 9.334 -2.520 10.672 1.00 0.00 C ATOM 929 CG TYR A 57 9.144 -3.068 9.272 1.00 0.00 C ATOM 930 CD1 TYR A 57 10.188 -3.700 8.600 1.00 0.00 C ATOM 931 CD2 TYR A 57 7.923 -2.949 8.619 1.00 0.00 C ATOM 932 CE1 TYR A 57 10.018 -4.197 7.322 1.00 0.00 C ATOM 933 CE2 TYR A 57 7.746 -3.444 7.341 1.00 0.00 C ATOM 934 CZ TYR A 57 8.794 -4.067 6.697 1.00 0.00 C ATOM 935 OH TYR A 57 8.618 -4.561 5.425 1.00 0.00 O ATOM 0 H TYR A 57 11.969 -1.305 10.697 1.00 0.00 H new ATOM 0 HA TYR A 57 9.207 -0.429 10.186 1.00 0.00 H new ATOM 0 HB2 TYR A 57 10.009 -3.178 11.218 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.376 -2.544 11.192 1.00 0.00 H new ATOM 0 HD1 TYR A 57 11.147 -3.803 9.086 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.099 -2.462 9.119 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.838 -4.684 6.815 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.790 -3.343 6.848 1.00 0.00 H new ATOM 0 HH TYR A 57 7.699 -4.389 5.131 1.00 0.00 H new ATOM 945 N THR A 58 8.872 -0.531 12.852 1.00 0.00 N ATOM 946 CA THR A 58 8.863 -0.192 14.264 1.00 0.00 C ATOM 947 C THR A 58 9.546 -1.278 15.064 1.00 0.00 C ATOM 948 O THR A 58 9.233 -2.455 14.902 1.00 0.00 O ATOM 949 CB THR A 58 7.431 -0.017 14.784 1.00 0.00 C ATOM 950 OG1 THR A 58 6.609 0.565 13.767 1.00 0.00 O ATOM 951 CG2 THR A 58 7.409 0.870 16.020 1.00 0.00 C ATOM 0 H THR A 58 7.948 -0.680 12.447 1.00 0.00 H new ATOM 0 HA THR A 58 9.398 0.750 14.381 1.00 0.00 H new ATOM 0 HB THR A 58 7.043 -1.000 15.050 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.673 0.322 13.924 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.383 0.980 16.371 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.014 0.416 16.805 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.814 1.851 15.771 1.00 0.00 H new ATOM 959 N GLU A 59 10.488 -0.894 15.916 1.00 0.00 N ATOM 960 CA GLU A 59 11.127 -1.858 16.793 1.00 0.00 C ATOM 961 C GLU A 59 10.077 -2.497 17.685 1.00 0.00 C ATOM 962 O GLU A 59 10.181 -3.662 18.032 1.00 0.00 O ATOM 963 CB GLU A 59 12.265 -1.218 17.611 1.00 0.00 C ATOM 964 CG GLU A 59 11.857 -0.055 18.506 1.00 0.00 C ATOM 965 CD GLU A 59 11.263 -0.501 19.828 1.00 0.00 C ATOM 966 OE1 GLU A 59 11.937 -1.253 20.565 1.00 0.00 O ATOM 967 OE2 GLU A 59 10.129 -0.090 20.146 1.00 0.00 O ATOM 0 H GLU A 59 10.821 0.065 16.016 1.00 0.00 H new ATOM 0 HA GLU A 59 11.591 -2.636 16.186 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.720 -1.989 18.232 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.034 -0.870 16.921 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.729 0.570 18.699 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.131 0.564 17.979 1.00 0.00 H new ATOM 974 N SER A 60 9.040 -1.727 18.007 1.00 0.00 N ATOM 975 CA SER A 60 7.904 -2.239 18.749 1.00 0.00 C ATOM 976 C SER A 60 7.213 -3.342 17.955 1.00 0.00 C ATOM 977 O SER A 60 6.772 -4.345 18.518 1.00 0.00 O ATOM 978 CB SER A 60 6.910 -1.115 19.040 1.00 0.00 C ATOM 979 OG SER A 60 7.565 0.032 19.567 1.00 0.00 O ATOM 0 H SER A 60 8.969 -0.740 17.761 1.00 0.00 H new ATOM 0 HA SER A 60 8.263 -2.648 19.693 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.383 -0.847 18.124 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.159 -1.465 19.749 1.00 0.00 H new ATOM 0 HG SER A 60 8.373 -0.245 20.047 1.00 0.00 H new ATOM 985 N GLU A 61 7.139 -3.168 16.635 1.00 0.00 N ATOM 986 CA GLU A 61 6.510 -4.177 15.787 1.00 0.00 C ATOM 987 C GLU A 61 7.469 -5.336 15.540 1.00 0.00 C ATOM 988 O GLU A 61 7.049 -6.474 15.366 1.00 0.00 O ATOM 989 CB GLU A 61 6.044 -3.585 14.450 1.00 0.00 C ATOM 990 CG GLU A 61 4.636 -3.001 14.480 1.00 0.00 C ATOM 991 CD GLU A 61 4.540 -1.691 15.236 1.00 0.00 C ATOM 992 OE1 GLU A 61 4.537 -1.713 16.484 1.00 0.00 O ATOM 993 OE2 GLU A 61 4.459 -0.629 14.580 1.00 0.00 O ATOM 0 H GLU A 61 7.500 -2.353 16.138 1.00 0.00 H new ATOM 0 HA GLU A 61 5.630 -4.545 16.314 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.742 -2.804 14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.086 -4.362 13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.294 -2.847 13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.961 -3.725 14.936 1.00 0.00 H new ATOM 1000 N LEU A 62 8.760 -5.038 15.546 1.00 0.00 N ATOM 1001 CA LEU A 62 9.784 -6.048 15.321 1.00 0.00 C ATOM 1002 C LEU A 62 10.046 -6.859 16.591 1.00 0.00 C ATOM 1003 O LEU A 62 10.570 -7.973 16.527 1.00 0.00 O ATOM 1004 CB LEU A 62 11.067 -5.386 14.809 1.00 0.00 C ATOM 1005 CG LEU A 62 10.920 -4.695 13.447 1.00 0.00 C ATOM 1006 CD1 LEU A 62 12.168 -3.898 13.099 1.00 0.00 C ATOM 1007 CD2 LEU A 62 10.624 -5.719 12.362 1.00 0.00 C ATOM 0 H LEU A 62 9.125 -4.099 15.705 1.00 0.00 H new ATOM 0 HA LEU A 62 9.427 -6.744 14.561 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.401 -4.651 15.542 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.849 -6.142 14.737 1.00 0.00 H new ATOM 0 HG LEU A 62 10.083 -4.000 13.510 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.035 -3.419 12.129 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.337 -3.136 13.860 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.028 -4.567 13.059 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.523 -5.213 11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.441 -6.439 12.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.696 -6.240 12.597 1.00 0.00 H new ATOM 1019 N LYS A 63 9.666 -6.293 17.736 1.00 0.00 N ATOM 1020 CA LYS A 63 9.709 -7.006 19.012 1.00 0.00 C ATOM 1021 C LYS A 63 8.673 -8.126 19.018 1.00 0.00 C ATOM 1022 O LYS A 63 8.856 -9.163 19.657 1.00 0.00 O ATOM 1023 CB LYS A 63 9.435 -6.045 20.178 1.00 0.00 C ATOM 1024 CG LYS A 63 10.582 -5.092 20.497 1.00 0.00 C ATOM 1025 CD LYS A 63 11.763 -5.803 21.136 1.00 0.00 C ATOM 1026 CE LYS A 63 12.933 -4.855 21.360 1.00 0.00 C ATOM 1027 NZ LYS A 63 12.555 -3.668 22.175 1.00 0.00 N ATOM 0 H LYS A 63 9.322 -5.335 17.806 1.00 0.00 H new ATOM 0 HA LYS A 63 10.705 -7.432 19.135 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.546 -5.458 19.947 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.208 -6.631 21.069 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.909 -4.601 19.580 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.226 -4.310 21.167 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.456 -6.235 22.089 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.080 -6.629 20.499 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.741 -5.391 21.857 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.317 -4.523 20.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.330 -3.435 22.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.376 -2.858 21.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.695 -3.880 22.720 1.00 0.00 H new ATOM 1041 N GLY A 64 7.579 -7.901 18.300 1.00 0.00 N ATOM 1042 CA GLY A 64 6.544 -8.908 18.176 1.00 0.00 C ATOM 1043 C GLY A 64 6.485 -9.477 16.776 1.00 0.00 C ATOM 1044 O GLY A 64 5.441 -9.949 16.327 1.00 0.00 O ATOM 0 H GLY A 64 7.390 -7.033 17.799 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.730 -9.712 18.888 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.579 -8.472 18.433 1.00 0.00 H new ATOM 1048 N MET A 65 7.614 -9.426 16.084 1.00 0.00 N ATOM 1049 CA MET A 65 7.694 -9.919 14.719 1.00 0.00 C ATOM 1050 C MET A 65 8.414 -11.263 14.707 1.00 0.00 C ATOM 1051 O MET A 65 9.460 -11.416 15.344 1.00 0.00 O ATOM 1052 CB MET A 65 8.422 -8.906 13.832 1.00 0.00 C ATOM 1053 CG MET A 65 8.255 -9.166 12.347 1.00 0.00 C ATOM 1054 SD MET A 65 6.539 -9.046 11.800 1.00 0.00 S ATOM 1055 CE MET A 65 6.172 -7.331 12.172 1.00 0.00 C ATOM 0 H MET A 65 8.488 -9.047 16.447 1.00 0.00 H new ATOM 0 HA MET A 65 6.688 -10.054 14.323 1.00 0.00 H new ATOM 0 HB2 MET A 65 8.054 -7.906 14.060 1.00 0.00 H new ATOM 0 HB3 MET A 65 9.484 -8.919 14.077 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.860 -8.452 11.788 1.00 0.00 H new ATOM 0 HG3 MET A 65 8.637 -10.160 12.112 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.367 -6.982 11.525 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.864 -7.243 13.214 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.062 -6.724 12.004 1.00 0.00 H new ATOM 1065 N ASN A 66 7.870 -12.214 13.959 1.00 0.00 N ATOM 1066 CA ASN A 66 8.341 -13.597 14.000 1.00 0.00 C ATOM 1067 C ASN A 66 9.708 -13.782 13.337 1.00 0.00 C ATOM 1068 O ASN A 66 10.237 -12.882 12.671 1.00 0.00 O ATOM 1069 CB ASN A 66 7.328 -14.525 13.321 1.00 0.00 C ATOM 1070 CG ASN A 66 6.115 -14.820 14.181 1.00 0.00 C ATOM 1071 OD1 ASN A 66 5.699 -14.004 15.003 1.00 0.00 O ATOM 1072 ND2 ASN A 66 5.542 -15.996 13.992 1.00 0.00 N ATOM 0 H ASN A 66 7.098 -12.054 13.312 1.00 0.00 H new ATOM 0 HA ASN A 66 8.446 -13.853 15.054 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.000 -14.071 12.386 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.820 -15.463 13.065 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.721 -16.257 14.539 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.920 -16.642 13.299 1.00 0.00 H new ATOM 1079 N LYS A 67 10.257 -14.978 13.540 1.00 0.00 N ATOM 1080 CA LYS A 67 11.562 -15.378 13.022 1.00 0.00 C ATOM 1081 C LYS A 67 11.647 -15.206 11.503 1.00 0.00 C ATOM 1082 O LYS A 67 12.490 -14.453 11.002 1.00 0.00 O ATOM 1083 CB LYS A 67 11.819 -16.841 13.442 1.00 0.00 C ATOM 1084 CG LYS A 67 13.054 -17.513 12.846 1.00 0.00 C ATOM 1085 CD LYS A 67 12.714 -18.279 11.573 1.00 0.00 C ATOM 1086 CE LYS A 67 13.577 -19.524 11.404 1.00 0.00 C ATOM 1087 NZ LYS A 67 15.027 -19.212 11.376 1.00 0.00 N ATOM 0 H LYS A 67 9.797 -15.711 14.080 1.00 0.00 H new ATOM 0 HA LYS A 67 12.334 -14.733 13.442 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.903 -16.875 14.528 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.944 -17.433 13.171 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.810 -16.759 12.627 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.487 -18.195 13.578 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.663 -18.567 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.848 -17.626 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.374 -20.216 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.300 -20.031 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.498 -19.814 10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.162 -18.212 11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.439 -19.391 12.314 1.00 0.00 H new ATOM 1101 N ALA A 68 10.751 -15.871 10.783 1.00 0.00 N ATOM 1102 CA ALA A 68 10.774 -15.870 9.325 1.00 0.00 C ATOM 1103 C ALA A 68 10.446 -14.490 8.772 1.00 0.00 C ATOM 1104 O ALA A 68 10.837 -14.146 7.654 1.00 0.00 O ATOM 1105 CB ALA A 68 9.804 -16.906 8.780 1.00 0.00 C ATOM 0 H ALA A 68 9.994 -16.422 11.189 1.00 0.00 H new ATOM 0 HA ALA A 68 11.782 -16.130 9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.832 -16.893 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.088 -17.895 9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.795 -16.673 9.119 1.00 0.00 H new ATOM 1111 N GLU A 69 9.730 -13.703 9.561 1.00 0.00 N ATOM 1112 CA GLU A 69 9.379 -12.345 9.174 1.00 0.00 C ATOM 1113 C GLU A 69 10.637 -11.493 9.064 1.00 0.00 C ATOM 1114 O GLU A 69 10.890 -10.879 8.034 1.00 0.00 O ATOM 1115 CB GLU A 69 8.425 -11.733 10.194 1.00 0.00 C ATOM 1116 CG GLU A 69 7.238 -12.616 10.533 1.00 0.00 C ATOM 1117 CD GLU A 69 6.368 -12.923 9.339 1.00 0.00 C ATOM 1118 OE1 GLU A 69 5.458 -12.123 9.047 1.00 0.00 O ATOM 1119 OE2 GLU A 69 6.574 -13.975 8.699 1.00 0.00 O ATOM 0 H GLU A 69 9.379 -13.983 10.477 1.00 0.00 H new ATOM 0 HA GLU A 69 8.883 -12.376 8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.977 -11.516 11.109 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.059 -10.781 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.599 -13.551 10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.635 -12.126 11.298 1.00 0.00 H new ATOM 1126 N HIS A 70 11.431 -11.473 10.135 1.00 0.00 N ATOM 1127 CA HIS A 70 12.703 -10.757 10.141 1.00 0.00 C ATOM 1128 C HIS A 70 13.578 -11.186 8.973 1.00 0.00 C ATOM 1129 O HIS A 70 14.232 -10.361 8.341 1.00 0.00 O ATOM 1130 CB HIS A 70 13.462 -11.007 11.448 1.00 0.00 C ATOM 1131 CG HIS A 70 12.965 -10.215 12.618 1.00 0.00 C ATOM 1132 ND1 HIS A 70 13.575 -9.057 13.047 1.00 0.00 N ATOM 1133 CD2 HIS A 70 11.932 -10.431 13.471 1.00 0.00 C ATOM 1134 CE1 HIS A 70 12.944 -8.597 14.109 1.00 0.00 C ATOM 1135 NE2 HIS A 70 11.944 -9.410 14.387 1.00 0.00 N ATOM 0 H HIS A 70 11.213 -11.947 11.012 1.00 0.00 H new ATOM 0 HA HIS A 70 12.477 -9.695 10.049 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.401 -12.068 11.691 1.00 0.00 H new ATOM 0 HB3 HIS A 70 14.516 -10.776 11.291 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.232 -11.253 13.435 1.00 0.00 H new ATOM 0 HE1 HIS A 70 13.203 -7.704 14.659 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.286 -9.298 15.158 1.00 0.00 H new ATOM 1144 N GLU A 71 13.580 -12.480 8.696 1.00 0.00 N ATOM 1145 CA GLU A 71 14.422 -13.035 7.649 1.00 0.00 C ATOM 1146 C GLU A 71 13.973 -12.579 6.267 1.00 0.00 C ATOM 1147 O GLU A 71 14.788 -12.102 5.478 1.00 0.00 O ATOM 1148 CB GLU A 71 14.439 -14.556 7.745 1.00 0.00 C ATOM 1149 CG GLU A 71 14.997 -15.034 9.069 1.00 0.00 C ATOM 1150 CD GLU A 71 14.945 -16.532 9.245 1.00 0.00 C ATOM 1151 OE1 GLU A 71 14.216 -17.207 8.493 1.00 0.00 O ATOM 1152 OE2 GLU A 71 15.629 -17.034 10.162 1.00 0.00 O ATOM 0 H GLU A 71 13.006 -13.168 9.184 1.00 0.00 H new ATOM 0 HA GLU A 71 15.436 -12.663 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.426 -14.939 7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.038 -14.964 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.032 -14.703 9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.440 -14.563 9.879 1.00 0.00 H new ATOM 1159 N SER A 72 12.682 -12.699 5.978 1.00 0.00 N ATOM 1160 CA SER A 72 12.157 -12.292 4.680 1.00 0.00 C ATOM 1161 C SER A 72 12.389 -10.798 4.442 1.00 0.00 C ATOM 1162 O SER A 72 12.671 -10.377 3.317 1.00 0.00 O ATOM 1163 CB SER A 72 10.670 -12.646 4.566 1.00 0.00 C ATOM 1164 OG SER A 72 9.959 -12.260 5.729 1.00 0.00 O ATOM 0 H SER A 72 11.983 -13.072 6.621 1.00 0.00 H new ATOM 0 HA SER A 72 12.695 -12.839 3.905 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.242 -12.151 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.560 -13.719 4.409 1.00 0.00 H new ATOM 0 HG SER A 72 10.079 -12.938 6.426 1.00 0.00 H new ATOM 1170 N ILE A 73 12.290 -10.009 5.509 1.00 0.00 N ATOM 1171 CA ILE A 73 12.585 -8.580 5.451 1.00 0.00 C ATOM 1172 C ILE A 73 13.998 -8.335 4.914 1.00 0.00 C ATOM 1173 O ILE A 73 14.181 -7.734 3.852 1.00 0.00 O ATOM 1174 CB ILE A 73 12.455 -7.929 6.851 1.00 0.00 C ATOM 1175 CG1 ILE A 73 11.005 -7.980 7.341 1.00 0.00 C ATOM 1176 CG2 ILE A 73 12.955 -6.491 6.827 1.00 0.00 C ATOM 1177 CD1 ILE A 73 10.829 -7.510 8.773 1.00 0.00 C ATOM 0 H ILE A 73 12.005 -10.339 6.431 1.00 0.00 H new ATOM 0 HA ILE A 73 11.860 -8.126 4.776 1.00 0.00 H new ATOM 0 HB ILE A 73 13.074 -8.498 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.388 -7.364 6.687 1.00 0.00 H new ATOM 0 HG13 ILE A 73 10.638 -9.003 7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 73 12.854 -6.054 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 73 14.003 -6.475 6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.366 -5.913 6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 73 9.777 -7.574 9.050 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.419 -8.141 9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.165 -6.477 8.861 1.00 0.00 H new ATOM 1189 N ILE A 74 14.995 -8.836 5.629 1.00 0.00 N ATOM 1190 CA ILE A 74 16.381 -8.547 5.293 1.00 0.00 C ATOM 1191 C ILE A 74 16.794 -9.261 4.002 1.00 0.00 C ATOM 1192 O ILE A 74 17.741 -8.848 3.327 1.00 0.00 O ATOM 1193 CB ILE A 74 17.342 -8.922 6.443 1.00 0.00 C ATOM 1194 CG1 ILE A 74 16.716 -8.565 7.797 1.00 0.00 C ATOM 1195 CG2 ILE A 74 18.656 -8.175 6.269 1.00 0.00 C ATOM 1196 CD1 ILE A 74 17.585 -8.908 8.990 1.00 0.00 C ATOM 0 H ILE A 74 14.871 -9.441 6.441 1.00 0.00 H new ATOM 0 HA ILE A 74 16.453 -7.471 5.136 1.00 0.00 H new ATOM 0 HB ILE A 74 17.527 -9.996 6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.499 -7.497 7.814 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.763 -9.086 7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 74 19.335 -8.439 7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 74 19.107 -8.449 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 74 18.469 -7.101 6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.071 -8.624 9.908 1.00 0.00 H new ATOM 0 HD12 ILE A 74 17.782 -9.980 9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.529 -8.367 8.921 1.00 0.00 H new ATOM 1208 N SER A 75 16.066 -10.317 3.647 1.00 0.00 N ATOM 1209 CA SER A 75 16.286 -10.998 2.376 1.00 0.00 C ATOM 1210 C SER A 75 15.884 -10.092 1.215 1.00 0.00 C ATOM 1211 O SER A 75 16.519 -10.099 0.159 1.00 0.00 O ATOM 1212 CB SER A 75 15.495 -12.307 2.318 1.00 0.00 C ATOM 1213 OG SER A 75 15.897 -13.191 3.351 1.00 0.00 O ATOM 0 H SER A 75 15.322 -10.717 4.219 1.00 0.00 H new ATOM 0 HA SER A 75 17.347 -11.232 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.429 -12.096 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.644 -12.783 1.349 1.00 0.00 H new ATOM 0 HG SER A 75 15.764 -12.760 4.221 1.00 0.00 H new ATOM 1219 N ASN A 76 14.839 -9.295 1.427 1.00 0.00 N ATOM 1220 CA ASN A 76 14.391 -8.339 0.420 1.00 0.00 C ATOM 1221 C ASN A 76 15.373 -7.182 0.313 1.00 0.00 C ATOM 1222 O ASN A 76 15.503 -6.559 -0.743 1.00 0.00 O ATOM 1223 CB ASN A 76 12.987 -7.816 0.737 1.00 0.00 C ATOM 1224 CG ASN A 76 11.888 -8.707 0.186 1.00 0.00 C ATOM 1225 OD1 ASN A 76 11.451 -8.537 -0.952 1.00 0.00 O ATOM 1226 ND2 ASN A 76 11.429 -9.656 0.984 1.00 0.00 N ATOM 0 H ASN A 76 14.288 -9.293 2.286 1.00 0.00 H new ATOM 0 HA ASN A 76 14.350 -8.857 -0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.872 -7.731 1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.876 -6.813 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.687 -10.278 0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.817 -9.766 1.921 1.00 0.00 H new ATOM 1233 N LEU A 77 16.055 -6.897 1.418 1.00 0.00 N ATOM 1234 CA LEU A 77 17.144 -5.924 1.423 1.00 0.00 C ATOM 1235 C LEU A 77 18.294 -6.410 0.545 1.00 0.00 C ATOM 1236 O LEU A 77 18.972 -5.622 -0.111 1.00 0.00 O ATOM 1237 CB LEU A 77 17.651 -5.699 2.852 1.00 0.00 C ATOM 1238 CG LEU A 77 18.869 -4.778 2.972 1.00 0.00 C ATOM 1239 CD1 LEU A 77 18.489 -3.343 2.645 1.00 0.00 C ATOM 1240 CD2 LEU A 77 19.485 -4.875 4.361 1.00 0.00 C ATOM 0 H LEU A 77 15.872 -7.327 2.325 1.00 0.00 H new ATOM 0 HA LEU A 77 16.764 -4.983 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.839 -5.281 3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.902 -6.666 3.288 1.00 0.00 H new ATOM 0 HG LEU A 77 19.617 -5.104 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.368 -2.704 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 77 18.107 -3.291 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.720 -3.003 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 77 20.348 -4.213 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 77 18.747 -4.581 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 77 19.801 -5.901 4.548 1.00 0.00 H new ATOM 1252 N GLY A 78 18.502 -7.718 0.538 1.00 0.00 N ATOM 1253 CA GLY A 78 19.587 -8.291 -0.226 1.00 0.00 C ATOM 1254 C GLY A 78 20.731 -8.733 0.661 1.00 0.00 C ATOM 1255 O GLY A 78 21.862 -8.891 0.200 1.00 0.00 O ATOM 0 H GLY A 78 17.936 -8.394 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.219 -9.144 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.949 -7.559 -0.947 1.00 0.00 H new ATOM 1259 N ARG A 79 20.442 -8.914 1.940 1.00 0.00 N ATOM 1260 CA ARG A 79 21.436 -9.390 2.890 1.00 0.00 C ATOM 1261 C ARG A 79 21.029 -10.759 3.417 1.00 0.00 C ATOM 1262 O ARG A 79 19.861 -11.134 3.332 1.00 0.00 O ATOM 1263 CB ARG A 79 21.583 -8.413 4.059 1.00 0.00 C ATOM 1264 CG ARG A 79 22.983 -7.836 4.215 1.00 0.00 C ATOM 1265 CD ARG A 79 23.142 -6.515 3.476 1.00 0.00 C ATOM 1266 NE ARG A 79 22.974 -6.647 2.028 1.00 0.00 N ATOM 1267 CZ ARG A 79 22.732 -5.619 1.212 1.00 0.00 C ATOM 1268 NH1 ARG A 79 22.687 -4.381 1.688 1.00 0.00 N ATOM 1269 NH2 ARG A 79 22.567 -5.827 -0.089 1.00 0.00 N ATOM 0 H ARG A 79 19.523 -8.738 2.346 1.00 0.00 H new ATOM 0 HA ARG A 79 22.395 -9.464 2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 79 20.877 -7.594 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 79 21.307 -8.923 4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 79 23.198 -7.687 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 79 23.714 -8.552 3.839 1.00 0.00 H new ATOM 0 HD2 ARG A 79 22.412 -5.801 3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 79 24.129 -6.104 3.686 1.00 0.00 H new ATOM 0 HE ARG A 79 23.046 -7.579 1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 79 22.838 -4.211 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 79 22.502 -3.599 1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 79 22.625 -6.773 -0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 79 22.382 -5.041 -0.712 1.00 0.00 H new ATOM 1283 N ASN A 80 21.987 -11.503 3.948 1.00 0.00 N ATOM 1284 CA ASN A 80 21.700 -12.807 4.531 1.00 0.00 C ATOM 1285 C ASN A 80 21.497 -12.689 6.036 1.00 0.00 C ATOM 1286 O ASN A 80 22.451 -12.485 6.788 1.00 0.00 O ATOM 1287 CB ASN A 80 22.828 -13.802 4.233 1.00 0.00 C ATOM 1288 CG ASN A 80 22.915 -14.168 2.763 1.00 0.00 C ATOM 1289 OD1 ASN A 80 21.918 -14.140 2.039 1.00 0.00 O ATOM 1290 ND2 ASN A 80 24.107 -14.523 2.308 1.00 0.00 N ATOM 0 H ASN A 80 22.968 -11.228 3.988 1.00 0.00 H new ATOM 0 HA ASN A 80 20.781 -13.179 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 80 23.778 -13.374 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 80 22.672 -14.707 4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 80 24.222 -14.785 1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 80 24.910 -14.534 2.937 1.00 0.00 H new ATOM 1297 N PRO A 81 20.244 -12.816 6.501 1.00 0.00 N ATOM 1298 CA PRO A 81 19.913 -12.719 7.921 1.00 0.00 C ATOM 1299 C PRO A 81 20.142 -14.035 8.658 1.00 0.00 C ATOM 1300 O PRO A 81 19.708 -14.210 9.796 1.00 0.00 O ATOM 1301 CB PRO A 81 18.430 -12.366 7.897 1.00 0.00 C ATOM 1302 CG PRO A 81 17.907 -13.030 6.671 1.00 0.00 C ATOM 1303 CD PRO A 81 19.043 -13.061 5.676 1.00 0.00 C ATOM 0 HA PRO A 81 20.534 -11.993 8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.922 -12.727 8.791 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.280 -11.287 7.859 1.00 0.00 H new ATOM 0 HG2 PRO A 81 17.561 -14.039 6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 81 17.055 -12.483 6.268 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.099 -14.021 5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.923 -12.297 4.908 1.00 0.00 H new ATOM 1311 N SER A 82 20.832 -14.953 7.999 1.00 0.00 N ATOM 1312 CA SER A 82 21.113 -16.263 8.559 1.00 0.00 C ATOM 1313 C SER A 82 22.252 -16.198 9.574 1.00 0.00 C ATOM 1314 O SER A 82 22.339 -17.027 10.479 1.00 0.00 O ATOM 1315 CB SER A 82 21.453 -17.230 7.427 1.00 0.00 C ATOM 1316 OG SER A 82 22.276 -16.596 6.458 1.00 0.00 O ATOM 0 H SER A 82 21.212 -14.810 7.063 1.00 0.00 H new ATOM 0 HA SER A 82 20.228 -16.619 9.087 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.964 -18.105 7.830 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.536 -17.585 6.957 1.00 0.00 H new ATOM 0 HG SER A 82 22.485 -17.231 5.741 1.00 0.00 H new ATOM 1322 N ASP A 83 23.124 -15.204 9.422 1.00 0.00 N ATOM 1323 CA ASP A 83 24.235 -15.018 10.352 1.00 0.00 C ATOM 1324 C ASP A 83 23.725 -14.413 11.654 1.00 0.00 C ATOM 1325 O ASP A 83 24.169 -14.781 12.744 1.00 0.00 O ATOM 1326 CB ASP A 83 25.307 -14.113 9.743 1.00 0.00 C ATOM 1327 CG ASP A 83 26.537 -14.010 10.624 1.00 0.00 C ATOM 1328 OD1 ASP A 83 26.546 -13.184 11.559 1.00 0.00 O ATOM 1329 OD2 ASP A 83 27.507 -14.763 10.384 1.00 0.00 O ATOM 0 H ASP A 83 23.083 -14.518 8.668 1.00 0.00 H new ATOM 0 HA ASP A 83 24.681 -15.992 10.556 1.00 0.00 H new ATOM 0 HB2 ASP A 83 25.594 -14.500 8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 83 24.892 -13.118 9.583 1.00 0.00 H new ATOM 1334 N PHE A 84 22.763 -13.509 11.527 1.00 0.00 N ATOM 1335 CA PHE A 84 22.170 -12.860 12.683 1.00 0.00 C ATOM 1336 C PHE A 84 21.114 -13.777 13.268 1.00 0.00 C ATOM 1337 O PHE A 84 20.049 -13.970 12.683 1.00 0.00 O ATOM 1338 CB PHE A 84 21.542 -11.516 12.288 1.00 0.00 C ATOM 1339 CG PHE A 84 22.481 -10.599 11.551 1.00 0.00 C ATOM 1340 CD1 PHE A 84 23.425 -9.852 12.239 1.00 0.00 C ATOM 1341 CD2 PHE A 84 22.413 -10.477 10.172 1.00 0.00 C ATOM 1342 CE1 PHE A 84 24.284 -9.003 11.565 1.00 0.00 C ATOM 1343 CE2 PHE A 84 23.270 -9.632 9.492 1.00 0.00 C ATOM 1344 CZ PHE A 84 24.205 -8.892 10.190 1.00 0.00 C ATOM 0 H PHE A 84 22.377 -13.209 10.631 1.00 0.00 H new ATOM 0 HA PHE A 84 22.945 -12.664 13.424 1.00 0.00 H new ATOM 0 HB2 PHE A 84 20.668 -11.704 11.664 1.00 0.00 H new ATOM 0 HB3 PHE A 84 21.189 -11.012 13.188 1.00 0.00 H new ATOM 0 HD1 PHE A 84 23.490 -9.934 13.314 1.00 0.00 H new ATOM 0 HD2 PHE A 84 21.681 -11.049 9.622 1.00 0.00 H new ATOM 0 HE1 PHE A 84 25.016 -8.428 12.113 1.00 0.00 H new ATOM 0 HE2 PHE A 84 23.209 -9.550 8.417 1.00 0.00 H new ATOM 0 HZ PHE A 84 24.873 -8.228 9.662 1.00 0.00 H new ATOM 1354 N LYS A 85 21.410 -14.342 14.419 1.00 0.00 N ATOM 1355 CA LYS A 85 20.579 -15.387 14.985 1.00 0.00 C ATOM 1356 C LYS A 85 19.753 -14.864 16.146 1.00 0.00 C ATOM 1357 O LYS A 85 18.651 -15.348 16.400 1.00 0.00 O ATOM 1358 CB LYS A 85 21.457 -16.554 15.436 1.00 0.00 C ATOM 1359 CG LYS A 85 22.188 -17.232 14.289 1.00 0.00 C ATOM 1360 CD LYS A 85 23.201 -18.248 14.791 1.00 0.00 C ATOM 1361 CE LYS A 85 24.369 -17.575 15.497 1.00 0.00 C ATOM 1362 NZ LYS A 85 25.180 -16.734 14.573 1.00 0.00 N ATOM 0 H LYS A 85 22.223 -14.095 14.984 1.00 0.00 H new ATOM 0 HA LYS A 85 19.887 -15.733 14.217 1.00 0.00 H new ATOM 0 HB2 LYS A 85 22.187 -16.192 16.160 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.837 -17.290 15.949 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.466 -17.728 13.640 1.00 0.00 H new ATOM 0 HG3 LYS A 85 22.696 -16.480 13.685 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.713 -18.942 15.475 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.573 -18.837 13.952 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.991 -16.956 16.311 1.00 0.00 H new ATOM 0 HE3 LYS A 85 25.007 -18.336 15.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 26.045 -16.420 15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 25.437 -17.290 13.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 24.625 -15.903 14.283 1.00 0.00 H new ATOM 1376 N ASN A 86 20.278 -13.869 16.841 1.00 0.00 N ATOM 1377 CA ASN A 86 19.581 -13.311 17.985 1.00 0.00 C ATOM 1378 C ASN A 86 18.669 -12.172 17.553 1.00 0.00 C ATOM 1379 O ASN A 86 18.915 -11.514 16.535 1.00 0.00 O ATOM 1380 CB ASN A 86 20.576 -12.837 19.048 1.00 0.00 C ATOM 1381 CG ASN A 86 21.336 -13.994 19.669 1.00 0.00 C ATOM 1382 OD1 ASN A 86 20.831 -15.115 19.747 1.00 0.00 O ATOM 1383 ND2 ASN A 86 22.552 -13.736 20.124 1.00 0.00 N ATOM 0 H ASN A 86 21.177 -13.434 16.635 1.00 0.00 H new ATOM 0 HA ASN A 86 18.964 -14.094 18.425 1.00 0.00 H new ATOM 0 HB2 ASN A 86 21.282 -12.139 18.598 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.042 -12.293 19.828 1.00 0.00 H new ATOM 0 HD21 ASN A 86 23.103 -14.478 20.556 1.00 0.00 H new ATOM 0 HD22 ASN A 86 22.938 -12.795 20.042 1.00 0.00 H new ATOM 1390 N ALA A 87 17.612 -11.948 18.325 1.00 0.00 N ATOM 1391 CA ALA A 87 16.637 -10.913 18.015 1.00 0.00 C ATOM 1392 C ALA A 87 17.294 -9.545 18.005 1.00 0.00 C ATOM 1393 O ALA A 87 17.005 -8.717 17.141 1.00 0.00 O ATOM 1394 CB ALA A 87 15.488 -10.945 19.012 1.00 0.00 C ATOM 0 H ALA A 87 17.409 -12.474 19.175 1.00 0.00 H new ATOM 0 HA ALA A 87 16.236 -11.108 17.021 1.00 0.00 H new ATOM 0 HB1 ALA A 87 14.769 -10.164 18.764 1.00 0.00 H new ATOM 0 HB2 ALA A 87 14.997 -11.917 18.970 1.00 0.00 H new ATOM 0 HB3 ALA A 87 15.874 -10.777 20.017 1.00 0.00 H new ATOM 1400 N ASP A 88 18.199 -9.334 18.956 1.00 0.00 N ATOM 1401 CA ASP A 88 18.920 -8.071 19.084 1.00 0.00 C ATOM 1402 C ASP A 88 19.616 -7.703 17.779 1.00 0.00 C ATOM 1403 O ASP A 88 19.479 -6.580 17.291 1.00 0.00 O ATOM 1404 CB ASP A 88 19.947 -8.163 20.213 1.00 0.00 C ATOM 1405 CG ASP A 88 20.742 -6.884 20.379 1.00 0.00 C ATOM 1406 OD1 ASP A 88 20.252 -5.961 21.069 1.00 0.00 O ATOM 1407 OD2 ASP A 88 21.856 -6.793 19.825 1.00 0.00 O ATOM 0 H ASP A 88 18.453 -10.030 19.657 1.00 0.00 H new ATOM 0 HA ASP A 88 18.196 -7.291 19.319 1.00 0.00 H new ATOM 0 HB2 ASP A 88 19.435 -8.393 21.148 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.630 -8.988 20.012 1.00 0.00 H new ATOM 1412 N GLU A 89 20.339 -8.666 17.211 1.00 0.00 N ATOM 1413 CA GLU A 89 21.054 -8.463 15.955 1.00 0.00 C ATOM 1414 C GLU A 89 20.095 -8.044 14.848 1.00 0.00 C ATOM 1415 O GLU A 89 20.315 -7.052 14.148 1.00 0.00 O ATOM 1416 CB GLU A 89 21.755 -9.752 15.523 1.00 0.00 C ATOM 1417 CG GLU A 89 22.715 -10.331 16.547 1.00 0.00 C ATOM 1418 CD GLU A 89 23.381 -11.597 16.044 1.00 0.00 C ATOM 1419 OE1 GLU A 89 22.783 -12.687 16.191 1.00 0.00 O ATOM 1420 OE2 GLU A 89 24.498 -11.507 15.487 1.00 0.00 O ATOM 0 H GLU A 89 20.445 -9.601 17.605 1.00 0.00 H new ATOM 0 HA GLU A 89 21.790 -7.676 16.120 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.997 -10.501 15.293 1.00 0.00 H new ATOM 0 HB3 GLU A 89 22.303 -9.559 14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 89 23.478 -9.591 16.789 1.00 0.00 H new ATOM 0 HG3 GLU A 89 22.176 -10.546 17.469 1.00 0.00 H new ATOM 1427 N ARG A 90 19.023 -8.810 14.708 1.00 0.00 N ATOM 1428 CA ARG A 90 18.074 -8.620 13.620 1.00 0.00 C ATOM 1429 C ARG A 90 17.315 -7.304 13.747 1.00 0.00 C ATOM 1430 O ARG A 90 17.082 -6.626 12.751 1.00 0.00 O ATOM 1431 CB ARG A 90 17.099 -9.797 13.566 1.00 0.00 C ATOM 1432 CG ARG A 90 17.772 -11.111 13.213 1.00 0.00 C ATOM 1433 CD ARG A 90 16.780 -12.259 13.150 1.00 0.00 C ATOM 1434 NE ARG A 90 17.402 -13.475 12.627 1.00 0.00 N ATOM 1435 CZ ARG A 90 16.734 -14.512 12.127 1.00 0.00 C ATOM 1436 NH1 ARG A 90 15.408 -14.543 12.171 1.00 0.00 N ATOM 1437 NH2 ARG A 90 17.396 -15.531 11.596 1.00 0.00 N ATOM 0 H ARG A 90 18.787 -9.575 15.340 1.00 0.00 H new ATOM 0 HA ARG A 90 18.640 -8.577 12.689 1.00 0.00 H new ATOM 0 HB2 ARG A 90 16.605 -9.897 14.533 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.322 -9.584 12.831 1.00 0.00 H new ATOM 0 HG2 ARG A 90 18.275 -11.014 12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.540 -11.335 13.953 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.381 -12.452 14.146 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.937 -11.979 12.518 1.00 0.00 H new ATOM 0 HE ARG A 90 18.420 -13.532 12.647 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.893 -13.768 12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.903 -15.341 11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.416 -15.519 11.571 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.886 -16.326 11.212 1.00 0.00 H new ATOM 1451 N ILE A 91 16.932 -6.942 14.963 1.00 0.00 N ATOM 1452 CA ILE A 91 16.188 -5.708 15.180 1.00 0.00 C ATOM 1453 C ILE A 91 17.081 -4.492 14.947 1.00 0.00 C ATOM 1454 O ILE A 91 16.682 -3.542 14.274 1.00 0.00 O ATOM 1455 CB ILE A 91 15.570 -5.648 16.599 1.00 0.00 C ATOM 1456 CG1 ILE A 91 14.557 -6.783 16.777 1.00 0.00 C ATOM 1457 CG2 ILE A 91 14.903 -4.297 16.838 1.00 0.00 C ATOM 1458 CD1 ILE A 91 13.928 -6.834 18.151 1.00 0.00 C ATOM 0 H ILE A 91 17.122 -7.480 15.809 1.00 0.00 H new ATOM 0 HA ILE A 91 15.371 -5.694 14.459 1.00 0.00 H new ATOM 0 HB ILE A 91 16.367 -5.769 17.332 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.769 -6.674 16.032 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.053 -7.733 16.580 1.00 0.00 H new ATOM 0 HG21 ILE A 91 14.475 -4.275 17.840 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.644 -3.503 16.742 1.00 0.00 H new ATOM 0 HG23 ILE A 91 14.113 -4.146 16.103 1.00 0.00 H new ATOM 0 HD11 ILE A 91 13.223 -7.664 18.198 1.00 0.00 H new ATOM 0 HD12 ILE A 91 14.705 -6.975 18.902 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.402 -5.899 18.345 1.00 0.00 H new ATOM 1470 N ALA A 92 18.301 -4.543 15.472 1.00 0.00 N ATOM 1471 CA ALA A 92 19.242 -3.436 15.333 1.00 0.00 C ATOM 1472 C ALA A 92 19.583 -3.177 13.866 1.00 0.00 C ATOM 1473 O ALA A 92 19.636 -2.026 13.423 1.00 0.00 O ATOM 1474 CB ALA A 92 20.512 -3.711 16.127 1.00 0.00 C ATOM 0 H ALA A 92 18.662 -5.339 15.998 1.00 0.00 H new ATOM 0 HA ALA A 92 18.763 -2.542 15.732 1.00 0.00 H new ATOM 0 HB1 ALA A 92 21.202 -2.875 16.011 1.00 0.00 H new ATOM 0 HB2 ALA A 92 20.263 -3.833 17.181 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.982 -4.623 15.758 1.00 0.00 H new ATOM 1480 N TYR A 93 19.796 -4.251 13.113 1.00 0.00 N ATOM 1481 CA TYR A 93 20.156 -4.131 11.705 1.00 0.00 C ATOM 1482 C TYR A 93 19.020 -3.491 10.914 1.00 0.00 C ATOM 1483 O TYR A 93 19.256 -2.652 10.048 1.00 0.00 O ATOM 1484 CB TYR A 93 20.509 -5.496 11.110 1.00 0.00 C ATOM 1485 CG TYR A 93 21.289 -5.403 9.815 1.00 0.00 C ATOM 1486 CD1 TYR A 93 22.668 -5.237 9.831 1.00 0.00 C ATOM 1487 CD2 TYR A 93 20.652 -5.470 8.581 1.00 0.00 C ATOM 1488 CE1 TYR A 93 23.390 -5.143 8.658 1.00 0.00 C ATOM 1489 CE2 TYR A 93 21.367 -5.375 7.402 1.00 0.00 C ATOM 1490 CZ TYR A 93 22.737 -5.211 7.447 1.00 0.00 C ATOM 1491 OH TYR A 93 23.453 -5.119 6.279 1.00 0.00 O ATOM 0 H TYR A 93 19.726 -5.210 13.452 1.00 0.00 H new ATOM 0 HA TYR A 93 21.035 -3.490 11.638 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.092 -6.061 11.837 1.00 0.00 H new ATOM 0 HB3 TYR A 93 19.591 -6.056 10.933 1.00 0.00 H new ATOM 0 HD1 TYR A 93 23.185 -5.180 10.778 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.580 -5.598 8.543 1.00 0.00 H new ATOM 0 HE1 TYR A 93 24.462 -5.017 8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.857 -5.429 6.451 1.00 0.00 H new ATOM 0 HH TYR A 93 24.354 -5.479 6.418 1.00 0.00 H new ATOM 1501 N ILE A 94 17.787 -3.877 11.224 1.00 0.00 N ATOM 1502 CA ILE A 94 16.621 -3.302 10.564 1.00 0.00 C ATOM 1503 C ILE A 94 16.465 -1.826 10.954 1.00 0.00 C ATOM 1504 O ILE A 94 16.075 -0.987 10.139 1.00 0.00 O ATOM 1505 CB ILE A 94 15.330 -4.092 10.907 1.00 0.00 C ATOM 1506 CG1 ILE A 94 15.438 -5.539 10.398 1.00 0.00 C ATOM 1507 CG2 ILE A 94 14.108 -3.410 10.310 1.00 0.00 C ATOM 1508 CD1 ILE A 94 14.242 -6.411 10.748 1.00 0.00 C ATOM 0 H ILE A 94 17.570 -4.584 11.926 1.00 0.00 H new ATOM 0 HA ILE A 94 16.776 -3.370 9.487 1.00 0.00 H new ATOM 0 HB ILE A 94 15.216 -4.111 11.991 1.00 0.00 H new ATOM 0 HG12 ILE A 94 15.558 -5.524 9.315 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.338 -5.992 10.812 1.00 0.00 H new ATOM 0 HG21 ILE A 94 13.214 -3.980 10.562 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.021 -2.401 10.713 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.213 -3.360 9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 94 14.396 -7.415 10.353 1.00 0.00 H new ATOM 0 HD12 ILE A 94 14.132 -6.460 11.831 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.340 -5.984 10.310 1.00 0.00 H new ATOM 1520 N LEU A 95 16.813 -1.508 12.196 1.00 0.00 N ATOM 1521 CA LEU A 95 16.735 -0.135 12.688 1.00 0.00 C ATOM 1522 C LEU A 95 17.747 0.768 11.992 1.00 0.00 C ATOM 1523 O LEU A 95 17.567 1.983 11.929 1.00 0.00 O ATOM 1524 CB LEU A 95 16.948 -0.087 14.204 1.00 0.00 C ATOM 1525 CG LEU A 95 15.795 -0.645 15.037 1.00 0.00 C ATOM 1526 CD1 LEU A 95 16.105 -0.525 16.522 1.00 0.00 C ATOM 1527 CD2 LEU A 95 14.500 0.079 14.695 1.00 0.00 C ATOM 0 H LEU A 95 17.152 -2.182 12.882 1.00 0.00 H new ATOM 0 HA LEU A 95 15.735 0.234 12.459 1.00 0.00 H new ATOM 0 HB2 LEU A 95 17.854 -0.643 14.446 1.00 0.00 H new ATOM 0 HB3 LEU A 95 17.121 0.948 14.499 1.00 0.00 H new ATOM 0 HG LEU A 95 15.671 -1.702 14.800 1.00 0.00 H new ATOM 0 HD11 LEU A 95 15.274 -0.927 17.101 1.00 0.00 H new ATOM 0 HD12 LEU A 95 17.011 -1.086 16.751 1.00 0.00 H new ATOM 0 HD13 LEU A 95 16.253 0.524 16.779 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.686 -0.328 15.295 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.611 1.142 14.907 1.00 0.00 H new ATOM 0 HD23 LEU A 95 14.275 -0.059 13.637 1.00 0.00 H new ATOM 1539 N LYS A 96 18.811 0.186 11.466 1.00 0.00 N ATOM 1540 CA LYS A 96 19.785 0.958 10.709 1.00 0.00 C ATOM 1541 C LYS A 96 19.164 1.548 9.444 1.00 0.00 C ATOM 1542 O LYS A 96 19.559 2.623 8.998 1.00 0.00 O ATOM 1543 CB LYS A 96 21.003 0.102 10.359 1.00 0.00 C ATOM 1544 CG LYS A 96 22.203 0.354 11.262 1.00 0.00 C ATOM 1545 CD LYS A 96 23.243 1.254 10.595 1.00 0.00 C ATOM 1546 CE LYS A 96 22.682 2.617 10.201 1.00 0.00 C ATOM 1547 NZ LYS A 96 22.260 3.420 11.380 1.00 0.00 N ATOM 0 H LYS A 96 19.023 -0.809 11.547 1.00 0.00 H new ATOM 0 HA LYS A 96 20.113 1.785 11.339 1.00 0.00 H new ATOM 0 HB2 LYS A 96 20.727 -0.951 10.420 1.00 0.00 H new ATOM 0 HB3 LYS A 96 21.289 0.297 9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 96 21.867 0.815 12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 96 22.664 -0.598 11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 96 24.084 1.395 11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 96 23.631 0.756 9.707 1.00 0.00 H new ATOM 0 HE2 LYS A 96 23.436 3.169 9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 96 21.830 2.477 9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 21.570 4.138 11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 21.825 2.795 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 23.090 3.889 11.796 1.00 0.00 H new ATOM 1561 N GLN A 97 18.175 0.867 8.881 1.00 0.00 N ATOM 1562 CA GLN A 97 17.552 1.336 7.651 1.00 0.00 C ATOM 1563 C GLN A 97 16.396 2.291 7.941 1.00 0.00 C ATOM 1564 O GLN A 97 16.067 3.136 7.110 1.00 0.00 O ATOM 1565 CB GLN A 97 17.089 0.168 6.782 1.00 0.00 C ATOM 1566 CG GLN A 97 18.203 -0.483 5.969 1.00 0.00 C ATOM 1567 CD GLN A 97 19.323 -1.034 6.825 1.00 0.00 C ATOM 1568 OE1 GLN A 97 20.303 -0.346 7.106 1.00 0.00 O ATOM 1569 NE2 GLN A 97 19.180 -2.274 7.253 1.00 0.00 N ATOM 0 H GLN A 97 17.790 -0.002 9.251 1.00 0.00 H new ATOM 0 HA GLN A 97 18.309 1.888 7.094 1.00 0.00 H new ATOM 0 HB2 GLN A 97 16.631 -0.587 7.421 1.00 0.00 H new ATOM 0 HB3 GLN A 97 16.315 0.521 6.100 1.00 0.00 H new ATOM 0 HG2 GLN A 97 17.782 -1.290 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.613 0.250 5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 97 18.351 -2.810 6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 97 19.899 -2.697 7.841 1.00 0.00 H new ATOM 1578 N ILE A 98 15.789 2.178 9.123 1.00 0.00 N ATOM 1579 CA ILE A 98 14.776 3.152 9.532 1.00 0.00 C ATOM 1580 C ILE A 98 15.470 4.482 9.822 1.00 0.00 C ATOM 1581 O ILE A 98 14.865 5.552 9.774 1.00 0.00 O ATOM 1582 CB ILE A 98 13.958 2.683 10.772 1.00 0.00 C ATOM 1583 CG1 ILE A 98 12.629 3.436 10.859 1.00 0.00 C ATOM 1584 CG2 ILE A 98 14.741 2.873 12.062 1.00 0.00 C ATOM 1585 CD1 ILE A 98 11.640 3.051 9.782 1.00 0.00 C ATOM 0 H ILE A 98 15.975 1.439 9.801 1.00 0.00 H new ATOM 0 HA ILE A 98 14.060 3.263 8.718 1.00 0.00 H new ATOM 0 HB ILE A 98 13.759 1.619 10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.180 3.251 11.835 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.823 4.507 10.795 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.139 2.535 12.906 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.662 2.292 12.017 1.00 0.00 H new ATOM 0 HG23 ILE A 98 14.983 3.928 12.188 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.722 3.626 9.908 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.068 3.262 8.802 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.415 1.987 9.858 1.00 0.00 H new ATOM 1597 N ASP A 99 16.766 4.381 10.104 1.00 0.00 N ATOM 1598 CA ASP A 99 17.637 5.535 10.280 1.00 0.00 C ATOM 1599 C ASP A 99 18.093 6.071 8.922 1.00 0.00 C ATOM 1600 O ASP A 99 18.409 7.254 8.773 1.00 0.00 O ATOM 1601 CB ASP A 99 18.843 5.125 11.137 1.00 0.00 C ATOM 1602 CG ASP A 99 20.000 6.099 11.062 1.00 0.00 C ATOM 1603 OD1 ASP A 99 19.880 7.218 11.591 1.00 0.00 O ATOM 1604 OD2 ASP A 99 21.049 5.727 10.492 1.00 0.00 O ATOM 0 H ASP A 99 17.244 3.487 10.217 1.00 0.00 H new ATOM 0 HA ASP A 99 17.091 6.331 10.786 1.00 0.00 H new ATOM 0 HB2 ASP A 99 18.525 5.031 12.175 1.00 0.00 H new ATOM 0 HB3 ASP A 99 19.186 4.141 10.819 1.00 0.00 H new