USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=23 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 75 SER OG : rot 83:sc= 1.23 USER MOD Set 1.2: A 80 ASN : amide:sc= 0 X(o=1.2,f=1.2) USER MOD Set 2.1: A 38 ASN : amide:sc= 2.06 K(o=3.1,f=-0.0027) USER MOD Set 2.2: A 40 TYR OH : rot 48:sc= 1.09 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.979 K(o=2.1,f=-3.3) USER MOD Set 3.2: A 18 THR OG1 : rot -17:sc= 1.12 USER MOD Single : A 3 THR OG1 : rot -32:sc= 0.835 USER MOD Single : A 5 LYS NZ :NH3+ 152:sc= -0.228 (180deg=-0.923) USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00787) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 178:sc= -4.83! USER MOD Single : A 25 GLN : amide:sc= -0.905 X(o=-0.91,f=-1.2) USER MOD Single : A 26 THR OG1 : rot 41:sc= 0.0612 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 1.12 K(o=1.1,f=-0.74) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.342 K(o=-0.34,f=-5.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 134:sc= 0.878 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0.661) USER MOD Single : A 65 MET CE :methyl -163:sc= -0.33 (180deg=-0.872) USER MOD Single : A 66 ASN : amide:sc= 1.27 K(o=1.3,f=-0.025) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.919 K(o=-0.92,f=-3.7!) USER MOD Single : A 72 SER OG : rot 74:sc= 1.2 USER MOD Single : A 76 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0067) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 0.168 (180deg=-0.0513) USER MOD Single : A 86 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.5!) USER MOD Single : A 93 TYR OH : rot 21:sc= -1.43 USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= 0.0198 (180deg=-0.844) USER MOD Single : A 97 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -7.999 -1.237 2.646 1.00 0.00 N ATOM 21 CA PHE A 2 -9.352 -1.783 2.650 1.00 0.00 C ATOM 22 C PHE A 2 -10.391 -0.676 2.492 1.00 0.00 C ATOM 23 O PHE A 2 -10.293 0.372 3.132 1.00 0.00 O ATOM 24 CB PHE A 2 -9.609 -2.543 3.953 1.00 0.00 C ATOM 25 CG PHE A 2 -8.573 -3.589 4.261 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.503 -4.757 3.518 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.673 -3.406 5.299 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.556 -5.721 3.803 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.722 -4.366 5.588 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.665 -5.525 4.839 1.00 0.00 C ATOM 0 HA PHE A 2 -9.441 -2.466 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.648 -1.830 4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.588 -3.020 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.198 -4.915 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.715 -2.502 5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.513 -6.627 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.025 -4.210 6.398 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.924 -6.278 5.064 1.00 0.00 H new ATOM 40 N THR A 3 -11.375 -0.909 1.634 1.00 0.00 N ATOM 41 CA THR A 3 -12.473 0.030 1.460 1.00 0.00 C ATOM 42 C THR A 3 -13.810 -0.679 1.645 1.00 0.00 C ATOM 43 O THR A 3 -13.982 -1.815 1.202 1.00 0.00 O ATOM 44 CB THR A 3 -12.439 0.709 0.072 1.00 0.00 C ATOM 45 OG1 THR A 3 -12.470 -0.275 -0.972 1.00 0.00 O ATOM 46 CG2 THR A 3 -11.198 1.578 -0.082 1.00 0.00 C ATOM 0 H THR A 3 -11.435 -1.741 1.047 1.00 0.00 H new ATOM 0 HA THR A 3 -12.357 0.804 2.218 1.00 0.00 H new ATOM 0 HB THR A 3 -13.322 1.343 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.014 -1.088 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.200 2.043 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.199 2.352 0.685 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.306 0.961 0.026 1.00 0.00 H new ATOM 54 N ALA A 4 -14.745 -0.018 2.311 1.00 0.00 N ATOM 55 CA ALA A 4 -16.059 -0.591 2.556 1.00 0.00 C ATOM 56 C ALA A 4 -17.154 0.413 2.228 1.00 0.00 C ATOM 57 O ALA A 4 -17.044 1.589 2.576 1.00 0.00 O ATOM 58 CB ALA A 4 -16.174 -1.033 4.005 1.00 0.00 C ATOM 0 H ALA A 4 -14.617 0.919 2.693 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.182 -1.459 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.162 -1.461 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.412 -1.782 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.031 -0.174 4.660 1.00 0.00 H new ATOM 64 N LYS A 5 -18.199 -0.043 1.554 1.00 0.00 N ATOM 65 CA LYS A 5 -19.320 0.821 1.230 1.00 0.00 C ATOM 66 C LYS A 5 -20.644 0.134 1.553 1.00 0.00 C ATOM 67 O LYS A 5 -20.784 -1.081 1.394 1.00 0.00 O ATOM 68 CB LYS A 5 -19.281 1.250 -0.243 1.00 0.00 C ATOM 69 CG LYS A 5 -19.386 0.109 -1.239 1.00 0.00 C ATOM 70 CD LYS A 5 -19.535 0.631 -2.660 1.00 0.00 C ATOM 71 CE LYS A 5 -18.234 0.576 -3.441 1.00 0.00 C ATOM 72 NZ LYS A 5 -17.655 -0.793 -3.492 1.00 0.00 N ATOM 0 H LYS A 5 -18.293 -1.003 1.223 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.238 1.717 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -20.097 1.950 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -18.352 1.789 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -18.498 -0.519 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.241 -0.519 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.292 0.045 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.893 1.660 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.409 0.931 -4.457 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.513 1.255 -2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.092 -0.900 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.045 -0.943 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.422 -1.495 -3.488 1.00 0.00 H new ATOM 86 N LEU A 6 -21.601 0.919 2.023 1.00 0.00 N ATOM 87 CA LEU A 6 -22.923 0.413 2.372 1.00 0.00 C ATOM 88 C LEU A 6 -23.679 0.038 1.097 1.00 0.00 C ATOM 89 O LEU A 6 -23.566 0.725 0.081 1.00 0.00 O ATOM 90 CB LEU A 6 -23.669 1.496 3.181 1.00 0.00 C ATOM 91 CG LEU A 6 -25.016 1.111 3.819 1.00 0.00 C ATOM 92 CD1 LEU A 6 -26.133 1.114 2.791 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.930 -0.244 4.504 1.00 0.00 C ATOM 0 H LEU A 6 -21.486 1.921 2.173 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.844 -0.484 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -23.006 1.837 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.841 2.348 2.523 1.00 0.00 H new ATOM 0 HG LEU A 6 -25.246 1.863 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -27.071 0.838 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -26.226 2.110 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.905 0.396 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.896 -0.490 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.661 -1.005 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -24.172 -0.209 5.286 1.00 0.00 H new ATOM 105 N ILE A 7 -24.418 -1.065 1.139 1.00 0.00 N ATOM 106 CA ILE A 7 -25.198 -1.490 -0.019 1.00 0.00 C ATOM 107 C ILE A 7 -26.684 -1.629 0.315 1.00 0.00 C ATOM 108 O ILE A 7 -27.540 -1.187 -0.450 1.00 0.00 O ATOM 109 CB ILE A 7 -24.671 -2.812 -0.624 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.690 -3.941 0.411 1.00 0.00 C ATOM 111 CG2 ILE A 7 -23.268 -2.604 -1.170 1.00 0.00 C ATOM 112 CD1 ILE A 7 -24.431 -5.312 -0.173 1.00 0.00 C ATOM 0 H ILE A 7 -24.494 -1.676 1.952 1.00 0.00 H new ATOM 0 HA ILE A 7 -25.082 -0.703 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.329 -3.106 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.939 -3.734 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.659 -3.947 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.901 -3.538 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -23.289 -1.837 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.607 -2.288 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.461 -6.057 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.196 -5.542 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.450 -5.326 -0.647 1.00 0.00 H new ATOM 124 N LYS A 8 -26.991 -2.233 1.458 1.00 0.00 N ATOM 125 CA LYS A 8 -28.379 -2.408 1.875 1.00 0.00 C ATOM 126 C LYS A 8 -28.803 -1.277 2.801 1.00 0.00 C ATOM 127 O LYS A 8 -28.568 -1.324 4.013 1.00 0.00 O ATOM 128 CB LYS A 8 -28.584 -3.756 2.574 1.00 0.00 C ATOM 129 CG LYS A 8 -28.439 -4.966 1.662 1.00 0.00 C ATOM 130 CD LYS A 8 -28.615 -6.262 2.439 1.00 0.00 C ATOM 131 CE LYS A 8 -28.445 -7.489 1.555 1.00 0.00 C ATOM 132 NZ LYS A 8 -29.557 -7.641 0.580 1.00 0.00 N ATOM 0 H LYS A 8 -26.302 -2.608 2.110 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.999 -2.389 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.865 -3.842 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.577 -3.771 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -29.179 -4.914 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.457 -4.953 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.889 -6.298 3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.605 -6.279 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -27.500 -7.418 1.017 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.389 -8.380 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -29.415 -8.508 0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -30.461 -7.702 1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.574 -6.820 -0.058 1.00 0.00 H new ATOM 146 N GLY A 9 -29.402 -0.250 2.225 1.00 0.00 N ATOM 147 CA GLY A 9 -29.850 0.879 3.008 1.00 0.00 C ATOM 148 C GLY A 9 -29.664 2.187 2.277 1.00 0.00 C ATOM 149 O GLY A 9 -30.260 2.397 1.220 1.00 0.00 O ATOM 0 H GLY A 9 -29.587 -0.178 1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.903 0.751 3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.300 0.908 3.949 1.00 0.00 H new ATOM 153 N LYS A 10 -28.812 3.048 2.826 1.00 0.00 N ATOM 154 CA LYS A 10 -28.559 4.366 2.265 1.00 0.00 C ATOM 155 C LYS A 10 -27.522 5.080 3.117 1.00 0.00 C ATOM 156 O LYS A 10 -26.488 5.514 2.620 1.00 0.00 O ATOM 157 CB LYS A 10 -29.847 5.193 2.203 1.00 0.00 C ATOM 158 CG LYS A 10 -29.712 6.471 1.397 1.00 0.00 C ATOM 159 CD LYS A 10 -31.034 7.209 1.309 1.00 0.00 C ATOM 160 CE LYS A 10 -30.934 8.423 0.403 1.00 0.00 C ATOM 161 NZ LYS A 10 -32.224 9.152 0.318 1.00 0.00 N ATOM 0 H LYS A 10 -28.279 2.849 3.672 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.185 4.250 1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.640 4.583 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.156 5.445 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -28.963 7.116 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.357 6.235 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -31.804 6.535 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -31.344 7.522 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -30.161 9.094 0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -30.627 8.108 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -32.117 9.975 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -32.956 8.519 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -32.504 9.474 1.266 1.00 0.00 H new ATOM 175 N THR A 11 -27.802 5.192 4.405 1.00 0.00 N ATOM 176 CA THR A 11 -26.867 5.790 5.344 1.00 0.00 C ATOM 177 C THR A 11 -26.873 5.017 6.666 1.00 0.00 C ATOM 178 O THR A 11 -27.889 4.971 7.359 1.00 0.00 O ATOM 179 CB THR A 11 -27.224 7.269 5.607 1.00 0.00 C ATOM 180 OG1 THR A 11 -27.448 7.954 4.363 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.113 7.966 6.376 1.00 0.00 C ATOM 0 H THR A 11 -28.675 4.874 4.826 1.00 0.00 H new ATOM 0 HA THR A 11 -25.871 5.743 4.904 1.00 0.00 H new ATOM 0 HB THR A 11 -28.135 7.295 6.205 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.675 8.890 4.541 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.388 9.007 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.964 7.466 7.333 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.190 7.926 5.798 1.00 0.00 H new ATOM 189 N TYR A 12 -25.746 4.398 7.001 1.00 0.00 N ATOM 190 CA TYR A 12 -25.642 3.602 8.221 1.00 0.00 C ATOM 191 C TYR A 12 -24.331 3.907 8.938 1.00 0.00 C ATOM 192 O TYR A 12 -23.273 3.955 8.316 1.00 0.00 O ATOM 193 CB TYR A 12 -25.732 2.106 7.889 1.00 0.00 C ATOM 194 CG TYR A 12 -25.772 1.208 9.106 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.956 1.011 9.806 1.00 0.00 C ATOM 196 CD2 TYR A 12 -24.629 0.560 9.557 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.998 0.194 10.920 1.00 0.00 C ATOM 198 CE2 TYR A 12 -24.665 -0.259 10.671 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.852 -0.438 11.348 1.00 0.00 C ATOM 200 OH TYR A 12 -25.894 -1.249 12.458 1.00 0.00 O ATOM 0 H TYR A 12 -24.891 4.431 6.446 1.00 0.00 H new ATOM 0 HA TYR A 12 -26.470 3.862 8.881 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -26.626 1.930 7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.876 1.829 7.273 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.858 1.504 9.474 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -23.697 0.698 9.029 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -27.927 0.052 11.453 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.767 -0.756 11.009 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.003 -1.620 12.626 1.00 0.00 H new ATOM 210 N ASN A 13 -24.402 4.113 10.244 1.00 0.00 N ATOM 211 CA ASN A 13 -23.225 4.484 11.017 1.00 0.00 C ATOM 212 C ASN A 13 -22.676 3.289 11.788 1.00 0.00 C ATOM 213 O ASN A 13 -23.382 2.690 12.597 1.00 0.00 O ATOM 214 CB ASN A 13 -23.567 5.612 11.990 1.00 0.00 C ATOM 215 CG ASN A 13 -22.335 6.189 12.660 1.00 0.00 C ATOM 216 OD1 ASN A 13 -21.252 6.216 12.078 1.00 0.00 O ATOM 217 ND2 ASN A 13 -22.486 6.657 13.885 1.00 0.00 N ATOM 0 H ASN A 13 -25.259 4.030 10.790 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.460 4.826 10.320 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.091 6.404 11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.250 5.237 12.752 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -21.689 7.058 14.380 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.400 6.618 14.337 1.00 0.00 H new ATOM 224 N VAL A 14 -21.419 2.948 11.533 1.00 0.00 N ATOM 225 CA VAL A 14 -20.770 1.848 12.229 1.00 0.00 C ATOM 226 C VAL A 14 -19.727 2.383 13.202 1.00 0.00 C ATOM 227 O VAL A 14 -18.667 2.859 12.785 1.00 0.00 O ATOM 228 CB VAL A 14 -20.091 0.867 11.249 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.449 -0.292 12.000 1.00 0.00 C ATOM 230 CG2 VAL A 14 -21.093 0.351 10.229 1.00 0.00 C ATOM 0 H VAL A 14 -20.829 3.420 10.848 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.546 1.308 12.772 1.00 0.00 H new ATOM 0 HB VAL A 14 -19.306 1.406 10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.977 -0.970 11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.697 0.093 12.689 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -20.213 -0.830 12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.596 -0.339 9.547 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.902 -0.168 10.744 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.501 1.189 9.664 1.00 0.00 H new ATOM 240 N MET A 15 -20.052 2.317 14.494 1.00 0.00 N ATOM 241 CA MET A 15 -19.173 2.795 15.566 1.00 0.00 C ATOM 242 C MET A 15 -18.967 4.304 15.472 1.00 0.00 C ATOM 243 O MET A 15 -19.689 5.079 16.098 1.00 0.00 O ATOM 244 CB MET A 15 -17.817 2.071 15.544 1.00 0.00 C ATOM 245 CG MET A 15 -17.910 0.577 15.812 1.00 0.00 C ATOM 246 SD MET A 15 -16.299 -0.237 15.766 1.00 0.00 S ATOM 247 CE MET A 15 -16.772 -1.938 16.068 1.00 0.00 C ATOM 0 H MET A 15 -20.934 1.930 14.829 1.00 0.00 H new ATOM 0 HA MET A 15 -19.663 2.570 16.513 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.349 2.227 14.572 1.00 0.00 H new ATOM 0 HB3 MET A 15 -17.163 2.524 16.289 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.368 0.414 16.788 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.566 0.119 15.072 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.883 -2.568 16.069 1.00 0.00 H new ATOM 0 HE2 MET A 15 -17.270 -2.011 17.035 1.00 0.00 H new ATOM 0 HE3 MET A 15 -17.452 -2.271 15.284 1.00 0.00 H new ATOM 257 N GLY A 16 -17.996 4.713 14.670 1.00 0.00 N ATOM 258 CA GLY A 16 -17.721 6.120 14.482 1.00 0.00 C ATOM 259 C GLY A 16 -17.486 6.459 13.027 1.00 0.00 C ATOM 260 O GLY A 16 -17.065 7.566 12.698 1.00 0.00 O ATOM 0 H GLY A 16 -17.388 4.087 14.141 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.557 6.707 14.861 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.844 6.400 15.066 1.00 0.00 H new ATOM 264 N ILE A 17 -17.744 5.498 12.151 1.00 0.00 N ATOM 265 CA ILE A 17 -17.582 5.705 10.721 1.00 0.00 C ATOM 266 C ILE A 17 -18.929 5.523 10.032 1.00 0.00 C ATOM 267 O ILE A 17 -19.484 4.423 10.020 1.00 0.00 O ATOM 268 CB ILE A 17 -16.551 4.731 10.083 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.158 4.865 10.718 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.455 4.976 8.584 1.00 0.00 C ATOM 271 CD1 ILE A 17 -15.021 4.210 12.078 1.00 0.00 C ATOM 0 H ILE A 17 -18.067 4.565 12.408 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.203 6.718 10.583 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.906 3.718 10.270 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.422 4.429 10.043 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.916 5.924 10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.730 4.288 8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.430 4.813 8.126 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.136 6.002 8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.007 4.354 12.451 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.730 4.661 12.772 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.228 3.143 11.991 1.00 0.00 H new ATOM 283 N THR A 18 -19.468 6.600 9.490 1.00 0.00 N ATOM 284 CA THR A 18 -20.751 6.534 8.816 1.00 0.00 C ATOM 285 C THR A 18 -20.579 6.186 7.339 1.00 0.00 C ATOM 286 O THR A 18 -19.871 6.875 6.602 1.00 0.00 O ATOM 287 CB THR A 18 -21.515 7.862 8.955 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.489 8.292 10.326 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.959 7.700 8.510 1.00 0.00 C ATOM 0 H THR A 18 -19.040 7.526 9.503 1.00 0.00 H new ATOM 0 HA THR A 18 -21.331 5.745 9.294 1.00 0.00 H new ATOM 0 HB THR A 18 -21.032 8.606 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.246 7.537 10.901 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.481 8.651 8.616 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.985 7.386 7.466 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.448 6.946 9.128 1.00 0.00 H new ATOM 297 N PHE A 19 -21.223 5.107 6.923 1.00 0.00 N ATOM 298 CA PHE A 19 -21.151 4.646 5.547 1.00 0.00 C ATOM 299 C PHE A 19 -22.425 5.006 4.798 1.00 0.00 C ATOM 300 O PHE A 19 -23.520 4.976 5.362 1.00 0.00 O ATOM 301 CB PHE A 19 -20.955 3.129 5.499 1.00 0.00 C ATOM 302 CG PHE A 19 -19.687 2.651 6.149 1.00 0.00 C ATOM 303 CD1 PHE A 19 -19.650 2.371 7.505 1.00 0.00 C ATOM 304 CD2 PHE A 19 -18.536 2.473 5.401 1.00 0.00 C ATOM 305 CE1 PHE A 19 -18.488 1.929 8.103 1.00 0.00 C ATOM 306 CE2 PHE A 19 -17.370 2.031 5.993 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.347 1.756 7.347 1.00 0.00 C ATOM 0 H PHE A 19 -21.807 4.529 7.527 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.301 5.136 5.073 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.803 2.649 5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.961 2.806 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -20.541 2.500 8.101 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.550 2.682 4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.472 1.719 9.162 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.477 1.900 5.399 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.437 1.406 7.813 1.00 0.00 H new ATOM 317 N ARG A 20 -22.278 5.346 3.531 1.00 0.00 N ATOM 318 CA ARG A 20 -23.423 5.627 2.681 1.00 0.00 C ATOM 319 C ARG A 20 -23.439 4.666 1.503 1.00 0.00 C ATOM 320 O ARG A 20 -22.382 4.246 1.029 1.00 0.00 O ATOM 321 CB ARG A 20 -23.392 7.077 2.190 1.00 0.00 C ATOM 322 CG ARG A 20 -23.587 8.096 3.301 1.00 0.00 C ATOM 323 CD ARG A 20 -23.672 9.512 2.754 1.00 0.00 C ATOM 324 NE ARG A 20 -23.946 10.490 3.808 1.00 0.00 N ATOM 325 CZ ARG A 20 -24.825 11.485 3.691 1.00 0.00 C ATOM 326 NH1 ARG A 20 -25.499 11.655 2.562 1.00 0.00 N ATOM 327 NH2 ARG A 20 -25.020 12.317 4.710 1.00 0.00 N ATOM 0 H ARG A 20 -21.375 5.435 3.066 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.333 5.488 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.438 7.266 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.171 7.215 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.498 7.863 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.760 8.027 4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -22.735 9.766 2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -24.457 9.563 1.999 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.433 10.405 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -25.346 11.022 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -26.170 12.418 2.479 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.498 12.192 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.692 13.080 4.624 1.00 0.00 H new ATOM 341 N ALA A 21 -24.635 4.292 1.059 1.00 0.00 N ATOM 342 CA ALA A 21 -24.784 3.381 -0.072 1.00 0.00 C ATOM 343 C ALA A 21 -24.074 3.916 -1.312 1.00 0.00 C ATOM 344 O ALA A 21 -24.433 4.970 -1.839 1.00 0.00 O ATOM 345 CB ALA A 21 -26.258 3.139 -0.365 1.00 0.00 C ATOM 0 H ALA A 21 -25.516 4.606 1.465 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.318 2.433 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.354 2.458 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.736 2.700 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -26.741 4.086 -0.605 1.00 0.00 H new ATOM 351 N GLY A 22 -23.051 3.193 -1.756 1.00 0.00 N ATOM 352 CA GLY A 22 -22.317 3.590 -2.942 1.00 0.00 C ATOM 353 C GLY A 22 -21.043 4.346 -2.616 1.00 0.00 C ATOM 354 O GLY A 22 -20.155 4.472 -3.458 1.00 0.00 O ATOM 0 H GLY A 22 -22.717 2.337 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.069 2.703 -3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.955 4.214 -3.567 1.00 0.00 H new ATOM 358 N VAL A 23 -20.945 4.831 -1.387 1.00 0.00 N ATOM 359 CA VAL A 23 -19.798 5.621 -0.966 1.00 0.00 C ATOM 360 C VAL A 23 -18.863 4.776 -0.107 1.00 0.00 C ATOM 361 O VAL A 23 -19.212 4.385 1.008 1.00 0.00 O ATOM 362 CB VAL A 23 -20.229 6.876 -0.175 1.00 0.00 C ATOM 363 CG1 VAL A 23 -19.021 7.740 0.158 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.265 7.675 -0.955 1.00 0.00 C ATOM 0 H VAL A 23 -21.649 4.691 -0.662 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.277 5.947 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.685 6.551 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.345 8.619 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.319 7.166 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.533 8.055 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.555 8.554 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.840 7.989 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.143 7.054 -1.136 1.00 0.00 H new ATOM 374 N SER A 24 -17.693 4.471 -0.647 1.00 0.00 N ATOM 375 CA SER A 24 -16.707 3.667 0.058 1.00 0.00 C ATOM 376 C SER A 24 -15.874 4.506 1.023 1.00 0.00 C ATOM 377 O SER A 24 -15.432 5.610 0.694 1.00 0.00 O ATOM 378 CB SER A 24 -15.782 2.988 -0.944 1.00 0.00 C ATOM 379 OG SER A 24 -16.511 2.248 -1.892 1.00 0.00 O ATOM 0 H SER A 24 -17.402 4.771 -1.578 1.00 0.00 H new ATOM 0 HA SER A 24 -17.248 2.920 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.178 3.740 -1.452 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.092 2.329 -0.417 1.00 0.00 H new ATOM 0 HG SER A 24 -15.894 1.851 -2.542 1.00 0.00 H new ATOM 385 N GLN A 25 -15.666 3.966 2.212 1.00 0.00 N ATOM 386 CA GLN A 25 -14.787 4.572 3.199 1.00 0.00 C ATOM 387 C GLN A 25 -13.590 3.662 3.438 1.00 0.00 C ATOM 388 O GLN A 25 -13.701 2.442 3.307 1.00 0.00 O ATOM 389 CB GLN A 25 -15.523 4.811 4.528 1.00 0.00 C ATOM 390 CG GLN A 25 -16.339 6.099 4.584 1.00 0.00 C ATOM 391 CD GLN A 25 -17.548 6.103 3.667 1.00 0.00 C ATOM 392 OE1 GLN A 25 -17.957 7.152 3.175 1.00 0.00 O ATOM 393 NE2 GLN A 25 -18.142 4.941 3.455 1.00 0.00 N ATOM 0 H GLN A 25 -16.101 3.096 2.520 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.454 5.536 2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.188 3.968 4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.791 4.826 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -16.672 6.262 5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.694 6.938 4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.770 4.093 3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.972 4.893 2.864 1.00 0.00 H new ATOM 402 N THR A 26 -12.451 4.249 3.768 1.00 0.00 N ATOM 403 CA THR A 26 -11.262 3.476 4.088 1.00 0.00 C ATOM 404 C THR A 26 -11.323 2.999 5.534 1.00 0.00 C ATOM 405 O THR A 26 -11.401 3.809 6.461 1.00 0.00 O ATOM 406 CB THR A 26 -9.989 4.308 3.848 1.00 0.00 C ATOM 407 OG1 THR A 26 -10.172 5.639 4.355 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.667 4.369 2.364 1.00 0.00 C ATOM 0 H THR A 26 -12.325 5.260 3.821 1.00 0.00 H new ATOM 0 HA THR A 26 -11.226 2.606 3.432 1.00 0.00 H new ATOM 0 HB THR A 26 -9.160 3.831 4.370 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.647 5.600 5.211 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.764 4.961 2.212 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.508 3.360 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.498 4.830 1.830 1.00 0.00 H new ATOM 416 N VAL A 27 -11.313 1.688 5.726 1.00 0.00 N ATOM 417 CA VAL A 27 -11.505 1.119 7.053 1.00 0.00 C ATOM 418 C VAL A 27 -10.296 0.295 7.491 1.00 0.00 C ATOM 419 O VAL A 27 -9.551 -0.226 6.658 1.00 0.00 O ATOM 420 CB VAL A 27 -12.772 0.235 7.112 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.005 1.039 6.734 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.633 -0.992 6.219 1.00 0.00 C ATOM 0 H VAL A 27 -11.175 1.001 4.985 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.626 1.959 7.736 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.889 -0.113 8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.886 0.399 6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.123 1.871 7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.891 1.425 5.721 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.540 -1.593 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.479 -0.676 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.780 -1.586 6.547 1.00 0.00 H new ATOM 432 N PRO A 28 -10.077 0.197 8.814 1.00 0.00 N ATOM 433 CA PRO A 28 -9.021 -0.638 9.391 1.00 0.00 C ATOM 434 C PRO A 28 -9.336 -2.127 9.270 1.00 0.00 C ATOM 435 O PRO A 28 -10.411 -2.511 8.800 1.00 0.00 O ATOM 436 CB PRO A 28 -8.987 -0.222 10.872 1.00 0.00 C ATOM 437 CG PRO A 28 -9.815 1.015 10.962 1.00 0.00 C ATOM 438 CD PRO A 28 -10.820 0.914 9.855 1.00 0.00 C ATOM 0 HA PRO A 28 -8.070 -0.496 8.877 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.389 -1.010 11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.965 -0.034 11.203 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.307 1.087 11.932 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.199 1.907 10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.712 0.369 10.165 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.149 1.896 9.515 1.00 0.00 H new ATOM 446 N LYS A 29 -8.403 -2.958 9.721 1.00 0.00 N ATOM 447 CA LYS A 29 -8.545 -4.410 9.631 1.00 0.00 C ATOM 448 C LYS A 29 -9.779 -4.899 10.387 1.00 0.00 C ATOM 449 O LYS A 29 -10.487 -5.791 9.918 1.00 0.00 O ATOM 450 CB LYS A 29 -7.290 -5.098 10.174 1.00 0.00 C ATOM 451 CG LYS A 29 -6.035 -4.804 9.368 1.00 0.00 C ATOM 452 CD LYS A 29 -4.810 -5.459 9.980 1.00 0.00 C ATOM 453 CE LYS A 29 -3.570 -5.204 9.138 1.00 0.00 C ATOM 454 NZ LYS A 29 -2.367 -5.858 9.711 1.00 0.00 N ATOM 0 H LYS A 29 -7.533 -2.650 10.156 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.671 -4.668 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.131 -4.783 11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.456 -6.175 10.192 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.166 -5.161 8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.882 -3.726 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.654 -5.074 10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.976 -6.532 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.736 -5.573 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.398 -4.130 9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.544 -5.660 9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.193 -5.488 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.521 -6.885 9.760 1.00 0.00 H new ATOM 468 N LYS A 30 -10.036 -4.302 11.548 1.00 0.00 N ATOM 469 CA LYS A 30 -11.182 -4.682 12.369 1.00 0.00 C ATOM 470 C LYS A 30 -12.488 -4.497 11.614 1.00 0.00 C ATOM 471 O LYS A 30 -13.288 -5.422 11.507 1.00 0.00 O ATOM 472 CB LYS A 30 -11.228 -3.865 13.660 1.00 0.00 C ATOM 473 CG LYS A 30 -10.162 -4.236 14.673 1.00 0.00 C ATOM 474 CD LYS A 30 -10.401 -3.524 15.991 1.00 0.00 C ATOM 475 CE LYS A 30 -9.448 -4.007 17.070 1.00 0.00 C ATOM 476 NZ LYS A 30 -9.712 -3.345 18.374 1.00 0.00 N ATOM 0 H LYS A 30 -9.466 -3.553 11.941 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.062 -5.737 12.616 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.124 -2.809 13.411 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.208 -3.989 14.120 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.164 -5.314 14.831 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.178 -3.973 14.285 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.279 -2.450 15.852 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.429 -3.689 16.313 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.545 -5.087 17.184 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.421 -3.810 16.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.042 -3.700 19.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.595 -2.317 18.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.684 -3.554 18.679 1.00 0.00 H new ATOM 490 N LEU A 31 -12.690 -3.303 11.074 1.00 0.00 N ATOM 491 CA LEU A 31 -13.941 -2.972 10.409 1.00 0.00 C ATOM 492 C LEU A 31 -14.110 -3.762 9.119 1.00 0.00 C ATOM 493 O LEU A 31 -15.235 -4.052 8.713 1.00 0.00 O ATOM 494 CB LEU A 31 -14.026 -1.473 10.127 1.00 0.00 C ATOM 495 CG LEU A 31 -14.130 -0.582 11.365 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.270 0.874 10.961 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.304 -1.009 12.235 1.00 0.00 C ATOM 0 H LEU A 31 -12.004 -2.548 11.084 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.753 -3.247 11.082 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.145 -1.176 9.558 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.892 -1.288 9.492 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.214 -0.693 11.946 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.343 1.494 11.854 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.399 1.176 10.380 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.169 0.999 10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.361 -0.363 13.111 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.229 -0.928 11.663 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.164 -2.042 12.554 1.00 0.00 H new ATOM 509 N TYR A 32 -12.998 -4.122 8.483 1.00 0.00 N ATOM 510 CA TYR A 32 -13.053 -4.926 7.271 1.00 0.00 C ATOM 511 C TYR A 32 -13.712 -6.269 7.564 1.00 0.00 C ATOM 512 O TYR A 32 -14.676 -6.650 6.910 1.00 0.00 O ATOM 513 CB TYR A 32 -11.655 -5.145 6.683 1.00 0.00 C ATOM 514 CG TYR A 32 -11.673 -5.873 5.354 1.00 0.00 C ATOM 515 CD1 TYR A 32 -11.997 -5.203 4.180 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.376 -7.229 5.272 1.00 0.00 C ATOM 517 CE1 TYR A 32 -12.020 -5.858 2.965 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.396 -7.892 4.059 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.722 -7.203 2.908 1.00 0.00 C ATOM 520 OH TYR A 32 -11.747 -7.857 1.699 1.00 0.00 O ATOM 0 H TYR A 32 -12.057 -3.871 8.785 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.647 -4.385 6.535 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.167 -4.179 6.554 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.054 -5.713 7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.235 -4.150 4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.126 -7.773 6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.270 -5.319 2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.158 -8.944 4.012 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.512 -8.799 1.832 1.00 0.00 H new ATOM 530 N GLU A 33 -13.207 -6.969 8.568 1.00 0.00 N ATOM 531 CA GLU A 33 -13.760 -8.265 8.945 1.00 0.00 C ATOM 532 C GLU A 33 -15.102 -8.111 9.654 1.00 0.00 C ATOM 533 O GLU A 33 -15.980 -8.971 9.533 1.00 0.00 O ATOM 534 CB GLU A 33 -12.769 -9.031 9.819 1.00 0.00 C ATOM 535 CG GLU A 33 -11.858 -9.948 9.021 1.00 0.00 C ATOM 536 CD GLU A 33 -12.562 -11.210 8.577 1.00 0.00 C ATOM 537 OE1 GLU A 33 -13.272 -11.176 7.552 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.416 -12.245 9.257 1.00 0.00 O ATOM 0 H GLU A 33 -12.417 -6.664 9.137 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.934 -8.836 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.160 -8.320 10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.320 -9.622 10.550 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.486 -9.415 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.991 -10.212 9.626 1.00 0.00 H new ATOM 545 N TYR A 34 -15.262 -7.009 10.374 1.00 0.00 N ATOM 546 CA TYR A 34 -16.510 -6.714 11.073 1.00 0.00 C ATOM 547 C TYR A 34 -17.661 -6.589 10.079 1.00 0.00 C ATOM 548 O TYR A 34 -18.708 -7.218 10.238 1.00 0.00 O ATOM 549 CB TYR A 34 -16.368 -5.417 11.878 1.00 0.00 C ATOM 550 CG TYR A 34 -17.533 -5.129 12.801 1.00 0.00 C ATOM 551 CD1 TYR A 34 -18.634 -4.402 12.362 1.00 0.00 C ATOM 552 CD2 TYR A 34 -17.526 -5.582 14.112 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.695 -4.137 13.207 1.00 0.00 C ATOM 554 CE2 TYR A 34 -18.584 -5.321 14.961 1.00 0.00 C ATOM 555 CZ TYR A 34 -19.664 -4.599 14.504 1.00 0.00 C ATOM 556 OH TYR A 34 -20.719 -4.337 15.347 1.00 0.00 O ATOM 0 H TYR A 34 -14.539 -6.299 10.491 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.728 -7.534 11.757 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.454 -5.468 12.470 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.253 -4.583 11.185 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -18.660 -4.039 11.345 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -16.680 -6.147 14.475 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -20.544 -3.571 12.852 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -18.564 -5.682 15.979 1.00 0.00 H new ATOM 0 HH TYR A 34 -20.542 -4.733 16.226 1.00 0.00 H new ATOM 566 N LEU A 35 -17.459 -5.785 9.046 1.00 0.00 N ATOM 567 CA LEU A 35 -18.492 -5.557 8.047 1.00 0.00 C ATOM 568 C LEU A 35 -18.521 -6.690 7.029 1.00 0.00 C ATOM 569 O LEU A 35 -19.492 -6.853 6.302 1.00 0.00 O ATOM 570 CB LEU A 35 -18.269 -4.220 7.341 1.00 0.00 C ATOM 571 CG LEU A 35 -18.245 -2.999 8.262 1.00 0.00 C ATOM 572 CD1 LEU A 35 -18.047 -1.729 7.452 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.524 -2.920 9.080 1.00 0.00 C ATOM 0 H LEU A 35 -16.589 -5.280 8.878 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.455 -5.528 8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.325 -4.266 6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.056 -4.082 6.600 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.407 -3.102 8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.032 -0.869 8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.102 -1.785 6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.865 -1.620 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.488 -2.045 9.729 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.380 -2.840 8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.623 -3.819 9.689 1.00 0.00 H new ATOM 585 N ASN A 36 -17.451 -7.468 6.986 1.00 0.00 N ATOM 586 CA ASN A 36 -17.395 -8.645 6.123 1.00 0.00 C ATOM 587 C ASN A 36 -18.348 -9.713 6.649 1.00 0.00 C ATOM 588 O ASN A 36 -18.893 -10.513 5.890 1.00 0.00 O ATOM 589 CB ASN A 36 -15.964 -9.186 6.066 1.00 0.00 C ATOM 590 CG ASN A 36 -15.785 -10.337 5.093 1.00 0.00 C ATOM 591 OD1 ASN A 36 -16.500 -10.451 4.094 1.00 0.00 O ATOM 592 ND2 ASN A 36 -14.812 -11.189 5.374 1.00 0.00 N ATOM 0 H ASN A 36 -16.608 -7.309 7.537 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.700 -8.367 5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.290 -8.377 5.785 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.670 -9.515 7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -14.630 -11.978 4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.245 -11.057 6.211 1.00 0.00 H new ATOM 599 N GLU A 37 -18.547 -9.706 7.962 1.00 0.00 N ATOM 600 CA GLU A 37 -19.475 -10.624 8.607 1.00 0.00 C ATOM 601 C GLU A 37 -20.909 -10.097 8.508 1.00 0.00 C ATOM 602 O GLU A 37 -21.874 -10.856 8.614 1.00 0.00 O ATOM 603 CB GLU A 37 -19.065 -10.826 10.069 1.00 0.00 C ATOM 604 CG GLU A 37 -19.929 -11.823 10.824 1.00 0.00 C ATOM 605 CD GLU A 37 -19.358 -12.180 12.178 1.00 0.00 C ATOM 606 OE1 GLU A 37 -19.549 -11.407 13.139 1.00 0.00 O ATOM 607 OE2 GLU A 37 -18.714 -13.241 12.291 1.00 0.00 O ATOM 0 H GLU A 37 -18.074 -9.070 8.604 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.439 -11.587 8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.029 -11.162 10.101 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.105 -9.865 10.582 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.928 -11.407 10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -20.036 -12.730 10.228 1.00 0.00 H new ATOM 614 N ASN A 38 -21.039 -8.794 8.283 1.00 0.00 N ATOM 615 CA ASN A 38 -22.348 -8.161 8.155 1.00 0.00 C ATOM 616 C ASN A 38 -22.755 -8.071 6.687 1.00 0.00 C ATOM 617 O ASN A 38 -22.179 -7.306 5.916 1.00 0.00 O ATOM 618 CB ASN A 38 -22.338 -6.774 8.807 1.00 0.00 C ATOM 619 CG ASN A 38 -22.490 -6.840 10.321 1.00 0.00 C ATOM 620 OD1 ASN A 38 -23.604 -6.798 10.843 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.382 -6.948 11.040 1.00 0.00 N ATOM 0 H ASN A 38 -20.251 -8.153 8.185 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.084 -8.774 8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.405 -6.267 8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.147 -6.174 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -21.437 -6.999 12.057 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.474 -6.980 10.576 1.00 0.00 H new ATOM 628 N PRO A 39 -23.779 -8.839 6.290 1.00 0.00 N ATOM 629 CA PRO A 39 -24.135 -9.042 4.877 1.00 0.00 C ATOM 630 C PRO A 39 -24.854 -7.855 4.224 1.00 0.00 C ATOM 631 O PRO A 39 -25.637 -8.037 3.294 1.00 0.00 O ATOM 632 CB PRO A 39 -25.069 -10.250 4.936 1.00 0.00 C ATOM 633 CG PRO A 39 -25.714 -10.161 6.274 1.00 0.00 C ATOM 634 CD PRO A 39 -24.682 -9.575 7.198 1.00 0.00 C ATOM 0 HA PRO A 39 -23.242 -9.171 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.809 -10.218 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.517 -11.183 4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.604 -9.533 6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -26.032 -11.145 6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.135 -8.913 7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.151 -10.351 7.749 1.00 0.00 H new ATOM 642 N TYR A 40 -24.574 -6.645 4.682 1.00 0.00 N ATOM 643 CA TYR A 40 -25.172 -5.462 4.080 1.00 0.00 C ATOM 644 C TYR A 40 -24.113 -4.422 3.733 1.00 0.00 C ATOM 645 O TYR A 40 -24.421 -3.248 3.514 1.00 0.00 O ATOM 646 CB TYR A 40 -26.279 -4.868 4.970 1.00 0.00 C ATOM 647 CG TYR A 40 -25.961 -4.780 6.446 1.00 0.00 C ATOM 648 CD1 TYR A 40 -26.105 -5.887 7.274 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.550 -3.585 7.018 1.00 0.00 C ATOM 650 CE1 TYR A 40 -25.846 -5.805 8.627 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.285 -3.495 8.370 1.00 0.00 C ATOM 652 CZ TYR A 40 -25.433 -4.607 9.169 1.00 0.00 C ATOM 653 OH TYR A 40 -25.173 -4.523 10.516 1.00 0.00 O ATOM 0 H TYR A 40 -23.943 -6.456 5.461 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.644 -5.774 3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.512 -3.867 4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -27.180 -5.469 4.847 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -26.425 -6.828 6.851 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -25.435 -2.710 6.395 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -25.966 -6.674 9.257 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -24.963 -2.557 8.799 1.00 0.00 H new ATOM 0 HH TYR A 40 -24.601 -5.271 10.786 1.00 0.00 H new ATOM 663 N PHE A 41 -22.867 -4.874 3.643 1.00 0.00 N ATOM 664 CA PHE A 41 -21.760 -4.023 3.225 1.00 0.00 C ATOM 665 C PHE A 41 -20.937 -4.705 2.136 1.00 0.00 C ATOM 666 O PHE A 41 -20.660 -5.899 2.215 1.00 0.00 O ATOM 667 CB PHE A 41 -20.844 -3.695 4.406 1.00 0.00 C ATOM 668 CG PHE A 41 -21.365 -2.622 5.316 1.00 0.00 C ATOM 669 CD1 PHE A 41 -21.127 -1.288 5.033 1.00 0.00 C ATOM 670 CD2 PHE A 41 -22.083 -2.943 6.456 1.00 0.00 C ATOM 671 CE1 PHE A 41 -21.593 -0.295 5.869 1.00 0.00 C ATOM 672 CE2 PHE A 41 -22.552 -1.950 7.296 1.00 0.00 C ATOM 673 CZ PHE A 41 -22.309 -0.625 7.000 1.00 0.00 C ATOM 0 H PHE A 41 -22.597 -5.834 3.856 1.00 0.00 H new ATOM 0 HA PHE A 41 -22.188 -3.100 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.684 -4.602 4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.872 -3.387 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -20.570 -1.022 4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -22.278 -3.979 6.691 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -21.397 0.742 5.638 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -23.109 -2.212 8.184 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.679 0.152 7.653 1.00 0.00 H new ATOM 683 N ILE A 42 -20.566 -3.941 1.117 1.00 0.00 N ATOM 684 CA ILE A 42 -19.602 -4.413 0.135 1.00 0.00 C ATOM 685 C ILE A 42 -18.220 -3.875 0.484 1.00 0.00 C ATOM 686 O ILE A 42 -18.032 -2.668 0.648 1.00 0.00 O ATOM 687 CB ILE A 42 -19.987 -3.998 -1.312 1.00 0.00 C ATOM 688 CG1 ILE A 42 -20.911 -5.050 -1.931 1.00 0.00 C ATOM 689 CG2 ILE A 42 -18.755 -3.787 -2.184 1.00 0.00 C ATOM 690 CD1 ILE A 42 -21.346 -4.729 -3.347 1.00 0.00 C ATOM 0 H ILE A 42 -20.916 -2.998 0.950 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.598 -5.503 0.166 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.515 -3.046 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -20.402 -6.014 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -21.797 -5.155 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.065 -3.498 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.136 -2.999 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.182 -4.713 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -21.998 -5.521 -3.716 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -21.885 -3.782 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -20.468 -4.653 -3.989 1.00 0.00 H new ATOM 702 N LEU A 43 -17.266 -4.785 0.626 1.00 0.00 N ATOM 703 CA LEU A 43 -15.908 -4.409 0.976 1.00 0.00 C ATOM 704 C LEU A 43 -14.935 -4.896 -0.084 1.00 0.00 C ATOM 705 O LEU A 43 -14.971 -6.061 -0.489 1.00 0.00 O ATOM 706 CB LEU A 43 -15.505 -4.974 2.342 1.00 0.00 C ATOM 707 CG LEU A 43 -16.313 -4.456 3.531 1.00 0.00 C ATOM 708 CD1 LEU A 43 -17.590 -5.260 3.718 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.469 -4.486 4.791 1.00 0.00 C ATOM 0 H LEU A 43 -17.410 -5.787 0.504 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.872 -3.321 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.596 -6.060 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.453 -4.748 2.514 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.598 -3.424 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -18.145 -4.869 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.203 -5.183 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -17.339 -6.305 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.056 -4.115 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.153 -5.510 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.590 -3.855 4.655 1.00 0.00 H new ATOM 721 N THR A 44 -14.074 -4.002 -0.525 1.00 0.00 N ATOM 722 CA THR A 44 -13.088 -4.323 -1.535 1.00 0.00 C ATOM 723 C THR A 44 -11.686 -3.976 -1.041 1.00 0.00 C ATOM 724 O THR A 44 -11.424 -2.844 -0.612 1.00 0.00 O ATOM 725 CB THR A 44 -13.376 -3.569 -2.851 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.715 -3.843 -3.290 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.393 -3.978 -3.936 1.00 0.00 C ATOM 0 H THR A 44 -14.038 -3.037 -0.195 1.00 0.00 H new ATOM 0 HA THR A 44 -13.146 -5.394 -1.728 1.00 0.00 H new ATOM 0 HB THR A 44 -13.264 -2.501 -2.663 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.891 -3.360 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.616 -3.433 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.378 -3.745 -3.614 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.479 -5.049 -4.120 1.00 0.00 H new ATOM 877 N PRO A 54 14.589 1.173 -8.054 1.00 0.00 N ATOM 878 CA PRO A 54 15.510 2.070 -8.737 1.00 0.00 C ATOM 879 C PRO A 54 16.973 1.638 -8.623 1.00 0.00 C ATOM 880 O PRO A 54 17.600 1.822 -7.577 1.00 0.00 O ATOM 881 CB PRO A 54 15.282 3.389 -7.997 1.00 0.00 C ATOM 882 CG PRO A 54 14.798 3.010 -6.623 1.00 0.00 C ATOM 883 CD PRO A 54 14.485 1.529 -6.636 1.00 0.00 C ATOM 0 HA PRO A 54 15.327 2.108 -9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.203 3.970 -7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.547 4.006 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.559 3.233 -5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.911 3.586 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.190 0.964 -6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.489 1.325 -6.242 1.00 0.00 H new ATOM 891 N ILE A 55 17.488 1.048 -9.705 1.00 0.00 N ATOM 892 CA ILE A 55 18.890 0.618 -9.809 1.00 0.00 C ATOM 893 C ILE A 55 19.013 -0.372 -10.979 1.00 0.00 C ATOM 894 O ILE A 55 19.881 -1.246 -11.011 1.00 0.00 O ATOM 895 CB ILE A 55 19.395 -0.028 -8.491 1.00 0.00 C ATOM 896 CG1 ILE A 55 20.919 -0.167 -8.497 1.00 0.00 C ATOM 897 CG2 ILE A 55 18.734 -1.374 -8.248 1.00 0.00 C ATOM 898 CD1 ILE A 55 21.649 1.156 -8.600 1.00 0.00 C ATOM 0 H ILE A 55 16.940 0.852 -10.543 1.00 0.00 H new ATOM 0 HA ILE A 55 19.515 1.493 -9.990 1.00 0.00 H new ATOM 0 HB ILE A 55 19.117 0.635 -7.672 1.00 0.00 H new ATOM 0 HG12 ILE A 55 21.233 -0.675 -7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.214 -0.801 -9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 55 19.109 -1.801 -7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.654 -1.242 -8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 55 18.964 -2.047 -9.074 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.725 0.979 -8.599 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.365 1.657 -9.525 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.384 1.785 -7.750 1.00 0.00 H new ATOM 910 N ASN A 56 18.148 -0.180 -11.966 1.00 0.00 N ATOM 911 CA ASN A 56 17.988 -1.112 -13.074 1.00 0.00 C ATOM 912 C ASN A 56 17.360 -0.381 -14.253 1.00 0.00 C ATOM 913 O ASN A 56 16.136 -0.293 -14.364 1.00 0.00 O ATOM 914 CB ASN A 56 17.109 -2.301 -12.649 1.00 0.00 C ATOM 915 CG ASN A 56 16.783 -3.258 -13.789 1.00 0.00 C ATOM 916 OD1 ASN A 56 17.555 -3.421 -14.730 1.00 0.00 O ATOM 917 ND2 ASN A 56 15.629 -3.902 -13.706 1.00 0.00 N ATOM 0 H ASN A 56 17.534 0.632 -12.021 1.00 0.00 H new ATOM 0 HA ASN A 56 18.964 -1.499 -13.367 1.00 0.00 H new ATOM 0 HB2 ASN A 56 17.616 -2.852 -11.857 1.00 0.00 H new ATOM 0 HB3 ASN A 56 16.178 -1.921 -12.227 1.00 0.00 H new ATOM 0 HD21 ASN A 56 15.357 -4.558 -14.438 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.012 -3.742 -12.910 1.00 0.00 H new ATOM 924 N TYR A 57 18.205 0.194 -15.094 1.00 0.00 N ATOM 925 CA TYR A 57 17.749 0.967 -16.236 1.00 0.00 C ATOM 926 C TYR A 57 18.617 0.662 -17.442 1.00 0.00 C ATOM 927 O TYR A 57 19.700 0.092 -17.307 1.00 0.00 O ATOM 928 CB TYR A 57 17.828 2.473 -15.955 1.00 0.00 C ATOM 929 CG TYR A 57 17.081 2.943 -14.728 1.00 0.00 C ATOM 930 CD1 TYR A 57 15.738 3.286 -14.796 1.00 0.00 C ATOM 931 CD2 TYR A 57 17.733 3.075 -13.507 1.00 0.00 C ATOM 932 CE1 TYR A 57 15.064 3.744 -13.681 1.00 0.00 C ATOM 933 CE2 TYR A 57 17.063 3.524 -12.388 1.00 0.00 C ATOM 934 CZ TYR A 57 15.730 3.863 -12.480 1.00 0.00 C ATOM 935 OH TYR A 57 15.066 4.332 -11.370 1.00 0.00 O ATOM 0 H TYR A 57 19.220 0.138 -15.005 1.00 0.00 H new ATOM 0 HA TYR A 57 16.712 0.692 -16.429 1.00 0.00 H new ATOM 0 HB2 TYR A 57 18.877 2.751 -15.850 1.00 0.00 H new ATOM 0 HB3 TYR A 57 17.441 3.008 -16.822 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.212 3.193 -15.735 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.780 2.822 -13.434 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.019 4.008 -13.750 1.00 0.00 H new ATOM 0 HE2 TYR A 57 17.580 3.610 -11.444 1.00 0.00 H new ATOM 0 HH TYR A 57 15.680 4.353 -10.606 1.00 0.00 H new ATOM 945 N THR A 58 18.145 1.045 -18.615 1.00 0.00 N ATOM 946 CA THR A 58 18.940 0.954 -19.822 1.00 0.00 C ATOM 947 C THR A 58 20.139 1.883 -19.723 1.00 0.00 C ATOM 948 O THR A 58 20.048 2.950 -19.123 1.00 0.00 O ATOM 949 CB THR A 58 18.101 1.326 -21.054 1.00 0.00 C ATOM 950 OG1 THR A 58 16.807 0.725 -20.953 1.00 0.00 O ATOM 951 CG2 THR A 58 18.775 0.863 -22.336 1.00 0.00 C ATOM 0 H THR A 58 17.209 1.424 -18.755 1.00 0.00 H new ATOM 0 HA THR A 58 19.284 -0.075 -19.931 1.00 0.00 H new ATOM 0 HB THR A 58 18.006 2.411 -21.087 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.120 1.388 -21.174 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.159 1.140 -23.191 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.753 1.337 -22.425 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.897 -0.220 -22.312 1.00 0.00 H new ATOM 959 N GLU A 59 21.267 1.478 -20.288 1.00 0.00 N ATOM 960 CA GLU A 59 22.429 2.347 -20.340 1.00 0.00 C ATOM 961 C GLU A 59 22.083 3.627 -21.083 1.00 0.00 C ATOM 962 O GLU A 59 22.515 4.709 -20.704 1.00 0.00 O ATOM 963 CB GLU A 59 23.603 1.640 -21.003 1.00 0.00 C ATOM 964 CG GLU A 59 23.225 0.905 -22.270 1.00 0.00 C ATOM 965 CD GLU A 59 24.401 0.207 -22.902 1.00 0.00 C ATOM 966 OE1 GLU A 59 25.170 0.867 -23.623 1.00 0.00 O ATOM 967 OE2 GLU A 59 24.566 -1.010 -22.673 1.00 0.00 O ATOM 0 H GLU A 59 21.400 0.560 -20.713 1.00 0.00 H new ATOM 0 HA GLU A 59 22.723 2.600 -19.321 1.00 0.00 H new ATOM 0 HB2 GLU A 59 24.375 2.373 -21.234 1.00 0.00 H new ATOM 0 HB3 GLU A 59 24.037 0.932 -20.297 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.450 0.173 -22.044 1.00 0.00 H new ATOM 0 HG3 GLU A 59 22.799 1.611 -22.983 1.00 0.00 H new ATOM 974 N SER A 60 21.271 3.494 -22.125 1.00 0.00 N ATOM 975 CA SER A 60 20.759 4.645 -22.846 1.00 0.00 C ATOM 976 C SER A 60 19.874 5.493 -21.930 1.00 0.00 C ATOM 977 O SER A 60 19.856 6.721 -22.037 1.00 0.00 O ATOM 978 CB SER A 60 19.979 4.180 -24.073 1.00 0.00 C ATOM 979 OG SER A 60 20.763 3.292 -24.852 1.00 0.00 O ATOM 0 H SER A 60 20.954 2.595 -22.488 1.00 0.00 H new ATOM 0 HA SER A 60 21.595 5.262 -23.177 1.00 0.00 H new ATOM 0 HB2 SER A 60 19.060 3.685 -23.761 1.00 0.00 H new ATOM 0 HB3 SER A 60 19.688 5.041 -24.675 1.00 0.00 H new ATOM 0 HG SER A 60 20.249 3.001 -25.634 1.00 0.00 H new ATOM 985 N GLU A 61 19.175 4.835 -21.002 1.00 0.00 N ATOM 986 CA GLU A 61 18.343 5.546 -20.031 1.00 0.00 C ATOM 987 C GLU A 61 19.217 6.237 -18.987 1.00 0.00 C ATOM 988 O GLU A 61 18.847 7.267 -18.423 1.00 0.00 O ATOM 989 CB GLU A 61 17.373 4.579 -19.339 1.00 0.00 C ATOM 990 CG GLU A 61 15.940 4.660 -19.839 1.00 0.00 C ATOM 991 CD GLU A 61 15.802 4.362 -21.317 1.00 0.00 C ATOM 992 OE1 GLU A 61 15.805 3.170 -21.695 1.00 0.00 O ATOM 993 OE2 GLU A 61 15.657 5.316 -22.104 1.00 0.00 O ATOM 0 H GLU A 61 19.169 3.820 -20.903 1.00 0.00 H new ATOM 0 HA GLU A 61 17.765 6.300 -20.566 1.00 0.00 H new ATOM 0 HB2 GLU A 61 17.736 3.560 -19.476 1.00 0.00 H new ATOM 0 HB3 GLU A 61 17.383 4.779 -18.268 1.00 0.00 H new ATOM 0 HG2 GLU A 61 15.326 3.958 -19.275 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.549 5.657 -19.639 1.00 0.00 H new ATOM 1000 N LEU A 62 20.383 5.664 -18.743 1.00 0.00 N ATOM 1001 CA LEU A 62 21.297 6.177 -17.736 1.00 0.00 C ATOM 1002 C LEU A 62 22.223 7.244 -18.320 1.00 0.00 C ATOM 1003 O LEU A 62 22.812 8.036 -17.580 1.00 0.00 O ATOM 1004 CB LEU A 62 22.095 5.020 -17.127 1.00 0.00 C ATOM 1005 CG LEU A 62 21.243 4.000 -16.363 1.00 0.00 C ATOM 1006 CD1 LEU A 62 22.060 2.783 -15.965 1.00 0.00 C ATOM 1007 CD2 LEU A 62 20.632 4.643 -15.131 1.00 0.00 C ATOM 0 H LEU A 62 20.722 4.836 -19.233 1.00 0.00 H new ATOM 0 HA LEU A 62 20.717 6.655 -16.947 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.631 4.504 -17.924 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.846 5.428 -16.451 1.00 0.00 H new ATOM 0 HG LEU A 62 20.445 3.668 -17.027 1.00 0.00 H new ATOM 0 HD11 LEU A 62 21.426 2.080 -15.425 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.456 2.302 -16.860 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.886 3.093 -15.324 1.00 0.00 H new ATOM 0 HD21 LEU A 62 20.029 3.908 -14.598 1.00 0.00 H new ATOM 0 HD22 LEU A 62 21.426 5.004 -14.477 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.001 5.479 -15.432 1.00 0.00 H new ATOM 1019 N LYS A 63 22.342 7.265 -19.645 1.00 0.00 N ATOM 1020 CA LYS A 63 23.114 8.296 -20.337 1.00 0.00 C ATOM 1021 C LYS A 63 22.393 9.640 -20.270 1.00 0.00 C ATOM 1022 O LYS A 63 23.007 10.678 -20.023 1.00 0.00 O ATOM 1023 CB LYS A 63 23.341 7.907 -21.801 1.00 0.00 C ATOM 1024 CG LYS A 63 24.377 6.812 -22.006 1.00 0.00 C ATOM 1025 CD LYS A 63 25.792 7.321 -21.775 1.00 0.00 C ATOM 1026 CE LYS A 63 26.823 6.257 -22.117 1.00 0.00 C ATOM 1027 NZ LYS A 63 28.214 6.784 -22.072 1.00 0.00 N ATOM 0 H LYS A 63 21.912 6.577 -20.264 1.00 0.00 H new ATOM 0 HA LYS A 63 24.080 8.385 -19.840 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.394 7.579 -22.228 1.00 0.00 H new ATOM 0 HB3 LYS A 63 23.651 8.792 -22.356 1.00 0.00 H new ATOM 0 HG2 LYS A 63 24.172 5.986 -21.325 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.294 6.418 -23.019 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.966 8.208 -22.384 1.00 0.00 H new ATOM 0 HD3 LYS A 63 25.908 7.621 -20.734 1.00 0.00 H new ATOM 0 HE2 LYS A 63 26.729 5.425 -21.419 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.618 5.862 -23.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.766 6.374 -22.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.196 7.819 -22.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.653 6.527 -21.165 1.00 0.00 H new ATOM 1041 N GLY A 64 21.081 9.607 -20.488 1.00 0.00 N ATOM 1042 CA GLY A 64 20.284 10.819 -20.416 1.00 0.00 C ATOM 1043 C GLY A 64 19.930 11.179 -18.988 1.00 0.00 C ATOM 1044 O GLY A 64 19.302 12.206 -18.730 1.00 0.00 O ATOM 0 H GLY A 64 20.556 8.762 -20.713 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.834 11.642 -20.872 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.370 10.687 -20.994 1.00 0.00 H new ATOM 1048 N MET A 65 20.354 10.335 -18.063 1.00 0.00 N ATOM 1049 CA MET A 65 20.088 10.529 -16.647 1.00 0.00 C ATOM 1050 C MET A 65 21.187 11.377 -16.012 1.00 0.00 C ATOM 1051 O MET A 65 22.373 11.107 -16.204 1.00 0.00 O ATOM 1052 CB MET A 65 19.996 9.163 -15.964 1.00 0.00 C ATOM 1053 CG MET A 65 19.834 9.234 -14.461 1.00 0.00 C ATOM 1054 SD MET A 65 19.637 7.612 -13.706 1.00 0.00 S ATOM 1055 CE MET A 65 18.057 7.118 -14.393 1.00 0.00 C ATOM 0 H MET A 65 20.893 9.495 -18.272 1.00 0.00 H new ATOM 0 HA MET A 65 19.143 11.057 -16.522 1.00 0.00 H new ATOM 0 HB2 MET A 65 19.153 8.615 -16.384 1.00 0.00 H new ATOM 0 HB3 MET A 65 20.895 8.592 -16.195 1.00 0.00 H new ATOM 0 HG2 MET A 65 20.704 9.728 -14.029 1.00 0.00 H new ATOM 0 HG3 MET A 65 18.967 9.849 -14.222 1.00 0.00 H new ATOM 0 HE1 MET A 65 17.648 6.293 -13.809 1.00 0.00 H new ATOM 0 HE2 MET A 65 17.367 7.961 -14.362 1.00 0.00 H new ATOM 0 HE3 MET A 65 18.193 6.798 -15.426 1.00 0.00 H new ATOM 1065 N ASN A 66 20.791 12.390 -15.250 1.00 0.00 N ATOM 1066 CA ASN A 66 21.745 13.329 -14.666 1.00 0.00 C ATOM 1067 C ASN A 66 22.372 12.758 -13.398 1.00 0.00 C ATOM 1068 O ASN A 66 21.984 11.684 -12.929 1.00 0.00 O ATOM 1069 CB ASN A 66 21.067 14.665 -14.348 1.00 0.00 C ATOM 1070 CG ASN A 66 20.318 15.244 -15.533 1.00 0.00 C ATOM 1071 OD1 ASN A 66 20.890 15.957 -16.355 1.00 0.00 O ATOM 1072 ND2 ASN A 66 19.031 14.948 -15.627 1.00 0.00 N ATOM 0 H ASN A 66 19.816 12.583 -15.021 1.00 0.00 H new ATOM 0 HA ASN A 66 22.533 13.496 -15.401 1.00 0.00 H new ATOM 0 HB2 ASN A 66 20.373 14.526 -13.519 1.00 0.00 H new ATOM 0 HB3 ASN A 66 21.821 15.379 -14.017 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.478 15.315 -16.402 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.592 14.353 -14.925 1.00 0.00 H new ATOM 1079 N LYS A 67 23.333 13.485 -12.837 1.00 0.00 N ATOM 1080 CA LYS A 67 24.086 13.008 -11.681 1.00 0.00 C ATOM 1081 C LYS A 67 23.223 12.910 -10.423 1.00 0.00 C ATOM 1082 O LYS A 67 23.359 11.957 -9.658 1.00 0.00 O ATOM 1083 CB LYS A 67 25.295 13.910 -11.408 1.00 0.00 C ATOM 1084 CG LYS A 67 24.941 15.376 -11.183 1.00 0.00 C ATOM 1085 CD LYS A 67 26.127 16.160 -10.639 1.00 0.00 C ATOM 1086 CE LYS A 67 26.578 15.608 -9.296 1.00 0.00 C ATOM 1087 NZ LYS A 67 27.732 16.354 -8.732 1.00 0.00 N ATOM 0 H LYS A 67 23.610 14.410 -13.165 1.00 0.00 H new ATOM 0 HA LYS A 67 24.430 12.004 -11.928 1.00 0.00 H new ATOM 0 HB2 LYS A 67 25.823 13.536 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 67 25.985 13.839 -12.249 1.00 0.00 H new ATOM 0 HG2 LYS A 67 24.610 15.820 -12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 67 24.106 15.447 -10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 67 26.953 16.116 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.854 17.210 -10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 67 25.746 15.647 -8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 67 26.849 14.559 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 28.000 15.939 -7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 28.537 16.296 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 27.468 17.351 -8.595 1.00 0.00 H new ATOM 1101 N ALA A 68 22.335 13.881 -10.228 1.00 0.00 N ATOM 1102 CA ALA A 68 21.530 13.955 -9.010 1.00 0.00 C ATOM 1103 C ALA A 68 20.724 12.679 -8.796 1.00 0.00 C ATOM 1104 O ALA A 68 20.789 12.056 -7.732 1.00 0.00 O ATOM 1105 CB ALA A 68 20.608 15.163 -9.067 1.00 0.00 C ATOM 0 H ALA A 68 22.154 14.629 -10.898 1.00 0.00 H new ATOM 0 HA ALA A 68 22.208 14.063 -8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 68 20.012 15.209 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.204 16.071 -9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 68 19.946 15.075 -9.929 1.00 0.00 H new ATOM 1111 N GLU A 69 19.971 12.292 -9.813 1.00 0.00 N ATOM 1112 CA GLU A 69 19.180 11.078 -9.759 1.00 0.00 C ATOM 1113 C GLU A 69 20.082 9.841 -9.677 1.00 0.00 C ATOM 1114 O GLU A 69 19.836 8.964 -8.856 1.00 0.00 O ATOM 1115 CB GLU A 69 18.215 10.995 -10.954 1.00 0.00 C ATOM 1116 CG GLU A 69 18.841 11.326 -12.302 1.00 0.00 C ATOM 1117 CD GLU A 69 18.797 12.802 -12.659 1.00 0.00 C ATOM 1118 OE1 GLU A 69 19.369 13.622 -11.915 1.00 0.00 O ATOM 1119 OE2 GLU A 69 18.225 13.146 -13.712 1.00 0.00 O ATOM 0 H GLU A 69 19.892 12.806 -10.690 1.00 0.00 H new ATOM 0 HA GLU A 69 18.576 11.106 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.800 9.988 -10.999 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.382 11.676 -10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.879 10.994 -12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.327 10.760 -13.079 1.00 0.00 H new ATOM 1126 N HIS A 70 21.130 9.783 -10.514 1.00 0.00 N ATOM 1127 CA HIS A 70 22.131 8.716 -10.442 1.00 0.00 C ATOM 1128 C HIS A 70 22.556 8.438 -9.004 1.00 0.00 C ATOM 1129 O HIS A 70 22.503 7.300 -8.545 1.00 0.00 O ATOM 1130 CB HIS A 70 23.378 9.077 -11.257 1.00 0.00 C ATOM 1131 CG HIS A 70 23.350 8.626 -12.684 1.00 0.00 C ATOM 1132 ND1 HIS A 70 23.244 7.305 -13.052 1.00 0.00 N ATOM 1133 CD2 HIS A 70 23.449 9.326 -13.840 1.00 0.00 C ATOM 1134 CE1 HIS A 70 23.282 7.209 -14.365 1.00 0.00 C ATOM 1135 NE2 HIS A 70 23.404 8.422 -14.870 1.00 0.00 N ATOM 0 H HIS A 70 21.303 10.467 -11.250 1.00 0.00 H new ATOM 0 HA HIS A 70 21.664 7.822 -10.856 1.00 0.00 H new ATOM 0 HB2 HIS A 70 23.508 10.159 -11.236 1.00 0.00 H new ATOM 0 HB3 HIS A 70 24.251 8.642 -10.771 1.00 0.00 H new ATOM 0 HD2 HIS A 70 23.545 10.398 -13.933 1.00 0.00 H new ATOM 0 HE1 HIS A 70 23.223 6.292 -14.933 1.00 0.00 H new ATOM 0 HE2 HIS A 70 23.456 8.650 -15.863 1.00 0.00 H new ATOM 1144 N GLU A 71 22.969 9.482 -8.299 1.00 0.00 N ATOM 1145 CA GLU A 71 23.461 9.332 -6.937 1.00 0.00 C ATOM 1146 C GLU A 71 22.344 8.923 -5.982 1.00 0.00 C ATOM 1147 O GLU A 71 22.536 8.046 -5.141 1.00 0.00 O ATOM 1148 CB GLU A 71 24.126 10.623 -6.463 1.00 0.00 C ATOM 1149 CG GLU A 71 25.394 10.950 -7.230 1.00 0.00 C ATOM 1150 CD GLU A 71 26.088 12.197 -6.724 1.00 0.00 C ATOM 1151 OE1 GLU A 71 26.518 12.208 -5.553 1.00 0.00 O ATOM 1152 OE2 GLU A 71 26.229 13.160 -7.502 1.00 0.00 O ATOM 0 H GLU A 71 22.973 10.441 -8.647 1.00 0.00 H new ATOM 0 HA GLU A 71 24.205 8.535 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 71 23.421 11.448 -6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 71 24.361 10.536 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 71 26.081 10.106 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 71 25.151 11.079 -8.285 1.00 0.00 H new ATOM 1159 N SER A 72 21.178 9.541 -6.127 1.00 0.00 N ATOM 1160 CA SER A 72 20.034 9.227 -5.276 1.00 0.00 C ATOM 1161 C SER A 72 19.621 7.761 -5.437 1.00 0.00 C ATOM 1162 O SER A 72 19.308 7.079 -4.458 1.00 0.00 O ATOM 1163 CB SER A 72 18.862 10.149 -5.617 1.00 0.00 C ATOM 1164 OG SER A 72 19.239 11.512 -5.505 1.00 0.00 O ATOM 0 H SER A 72 20.999 10.262 -6.825 1.00 0.00 H new ATOM 0 HA SER A 72 20.322 9.386 -4.237 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.517 9.945 -6.631 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.026 9.943 -4.949 1.00 0.00 H new ATOM 0 HG SER A 72 19.809 11.757 -6.264 1.00 0.00 H new ATOM 1170 N ILE A 73 19.648 7.286 -6.676 1.00 0.00 N ATOM 1171 CA ILE A 73 19.285 5.912 -6.997 1.00 0.00 C ATOM 1172 C ILE A 73 20.172 4.912 -6.261 1.00 0.00 C ATOM 1173 O ILE A 73 19.686 4.092 -5.479 1.00 0.00 O ATOM 1174 CB ILE A 73 19.384 5.658 -8.521 1.00 0.00 C ATOM 1175 CG1 ILE A 73 18.294 6.437 -9.262 1.00 0.00 C ATOM 1176 CG2 ILE A 73 19.284 4.174 -8.840 1.00 0.00 C ATOM 1177 CD1 ILE A 73 18.405 6.346 -10.766 1.00 0.00 C ATOM 0 H ILE A 73 19.922 7.842 -7.486 1.00 0.00 H new ATOM 0 HA ILE A 73 18.254 5.769 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 73 20.359 6.009 -8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 73 17.318 6.062 -8.954 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.341 7.485 -8.965 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.357 4.028 -9.918 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.096 3.640 -8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.328 3.789 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 73 17.601 6.921 -11.226 1.00 0.00 H new ATOM 0 HD12 ILE A 73 19.367 6.748 -11.085 1.00 0.00 H new ATOM 0 HD13 ILE A 73 18.327 5.303 -11.074 1.00 0.00 H new ATOM 1189 N ILE A 74 21.475 5.000 -6.488 1.00 0.00 N ATOM 1190 CA ILE A 74 22.397 4.011 -5.950 1.00 0.00 C ATOM 1191 C ILE A 74 22.531 4.150 -4.434 1.00 0.00 C ATOM 1192 O ILE A 74 22.846 3.185 -3.735 1.00 0.00 O ATOM 1193 CB ILE A 74 23.789 4.099 -6.603 1.00 0.00 C ATOM 1194 CG1 ILE A 74 23.675 4.507 -8.075 1.00 0.00 C ATOM 1195 CG2 ILE A 74 24.476 2.749 -6.497 1.00 0.00 C ATOM 1196 CD1 ILE A 74 25.012 4.718 -8.757 1.00 0.00 C ATOM 0 H ILE A 74 21.914 5.739 -7.036 1.00 0.00 H new ATOM 0 HA ILE A 74 21.974 3.034 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 74 24.375 4.857 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 74 23.120 3.738 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 74 23.094 5.427 -8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 74 25.462 2.805 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 74 24.581 2.476 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 74 23.878 1.995 -7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 74 24.849 5.005 -9.796 1.00 0.00 H new ATOM 0 HD12 ILE A 74 25.561 5.508 -8.244 1.00 0.00 H new ATOM 0 HD13 ILE A 74 25.588 3.794 -8.722 1.00 0.00 H new ATOM 1208 N SER A 75 22.269 5.345 -3.920 1.00 0.00 N ATOM 1209 CA SER A 75 22.264 5.557 -2.480 1.00 0.00 C ATOM 1210 C SER A 75 21.087 4.822 -1.842 1.00 0.00 C ATOM 1211 O SER A 75 21.168 4.377 -0.698 1.00 0.00 O ATOM 1212 CB SER A 75 22.205 7.051 -2.152 1.00 0.00 C ATOM 1213 OG SER A 75 23.356 7.723 -2.637 1.00 0.00 O ATOM 0 H SER A 75 22.059 6.175 -4.474 1.00 0.00 H new ATOM 0 HA SER A 75 23.190 5.156 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 75 21.310 7.489 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.127 7.188 -1.073 1.00 0.00 H new ATOM 0 HG SER A 75 23.236 7.933 -3.587 1.00 0.00 H new ATOM 1219 N ASN A 76 19.997 4.680 -2.596 1.00 0.00 N ATOM 1220 CA ASN A 76 18.847 3.904 -2.139 1.00 0.00 C ATOM 1221 C ASN A 76 19.144 2.413 -2.228 1.00 0.00 C ATOM 1222 O ASN A 76 18.560 1.610 -1.503 1.00 0.00 O ATOM 1223 CB ASN A 76 17.589 4.234 -2.950 1.00 0.00 C ATOM 1224 CG ASN A 76 16.803 5.400 -2.376 1.00 0.00 C ATOM 1225 OD1 ASN A 76 15.913 5.215 -1.544 1.00 0.00 O ATOM 1226 ND2 ASN A 76 17.121 6.606 -2.816 1.00 0.00 N ATOM 0 H ASN A 76 19.887 5.091 -3.523 1.00 0.00 H new ATOM 0 HA ASN A 76 18.660 4.172 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.875 4.466 -3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.947 3.354 -2.989 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.623 7.424 -2.466 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.864 6.718 -3.505 1.00 0.00 H new ATOM 1233 N LEU A 77 20.047 2.050 -3.134 1.00 0.00 N ATOM 1234 CA LEU A 77 20.523 0.673 -3.238 1.00 0.00 C ATOM 1235 C LEU A 77 21.245 0.258 -1.956 1.00 0.00 C ATOM 1236 O LEU A 77 21.200 -0.904 -1.548 1.00 0.00 O ATOM 1237 CB LEU A 77 21.471 0.525 -4.434 1.00 0.00 C ATOM 1238 CG LEU A 77 22.111 -0.856 -4.594 1.00 0.00 C ATOM 1239 CD1 LEU A 77 21.067 -1.895 -4.976 1.00 0.00 C ATOM 1240 CD2 LEU A 77 23.225 -0.808 -5.627 1.00 0.00 C ATOM 0 H LEU A 77 20.465 2.691 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 77 19.660 0.024 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 77 20.920 0.760 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 77 22.265 1.267 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 77 22.542 -1.147 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 77 21.545 -2.869 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.306 -1.949 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 77 20.601 -1.613 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.670 -1.798 -5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 77 22.817 -0.493 -6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 77 23.988 -0.099 -5.307 1.00 0.00 H new ATOM 1252 N GLY A 78 21.908 1.219 -1.327 1.00 0.00 N ATOM 1253 CA GLY A 78 22.644 0.941 -0.111 1.00 0.00 C ATOM 1254 C GLY A 78 24.140 1.007 -0.330 1.00 0.00 C ATOM 1255 O GLY A 78 24.923 0.692 0.565 1.00 0.00 O ATOM 0 H GLY A 78 21.949 2.189 -1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 78 22.358 1.658 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.374 -0.048 0.259 1.00 0.00 H new ATOM 1259 N ARG A 79 24.534 1.401 -1.531 1.00 0.00 N ATOM 1260 CA ARG A 79 25.939 1.568 -1.864 1.00 0.00 C ATOM 1261 C ARG A 79 26.134 2.949 -2.469 1.00 0.00 C ATOM 1262 O ARG A 79 25.858 3.171 -3.646 1.00 0.00 O ATOM 1263 CB ARG A 79 26.390 0.474 -2.839 1.00 0.00 C ATOM 1264 CG ARG A 79 27.887 0.176 -2.818 1.00 0.00 C ATOM 1265 CD ARG A 79 28.726 1.337 -3.330 1.00 0.00 C ATOM 1266 NE ARG A 79 30.123 0.951 -3.521 1.00 0.00 N ATOM 1267 CZ ARG A 79 31.106 1.800 -3.808 1.00 0.00 C ATOM 1268 NH1 ARG A 79 30.875 3.110 -3.854 1.00 0.00 N ATOM 1269 NH2 ARG A 79 32.327 1.335 -4.030 1.00 0.00 N ATOM 0 H ARG A 79 23.894 1.612 -2.297 1.00 0.00 H new ATOM 0 HA ARG A 79 26.548 1.479 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 79 25.848 -0.443 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 79 26.106 0.768 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 79 28.191 -0.064 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 79 28.086 -0.706 -3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 79 28.315 1.695 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 79 28.671 2.165 -2.624 1.00 0.00 H new ATOM 0 HE ARG A 79 30.360 -0.037 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.939 3.470 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 79 31.634 3.754 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 79 32.508 0.332 -3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 79 33.086 1.980 -4.251 1.00 0.00 H new ATOM 1283 N ASN A 80 26.594 3.874 -1.649 1.00 0.00 N ATOM 1284 CA ASN A 80 26.692 5.270 -2.043 1.00 0.00 C ATOM 1285 C ASN A 80 27.797 5.471 -3.070 1.00 0.00 C ATOM 1286 O ASN A 80 28.929 5.023 -2.879 1.00 0.00 O ATOM 1287 CB ASN A 80 26.951 6.159 -0.822 1.00 0.00 C ATOM 1288 CG ASN A 80 25.892 6.005 0.249 1.00 0.00 C ATOM 1289 OD1 ASN A 80 26.030 5.186 1.159 1.00 0.00 O ATOM 1290 ND2 ASN A 80 24.822 6.779 0.145 1.00 0.00 N ATOM 0 H ASN A 80 26.909 3.684 -0.698 1.00 0.00 H new ATOM 0 HA ASN A 80 25.742 5.555 -2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 80 27.926 5.915 -0.401 1.00 0.00 H new ATOM 0 HB3 ASN A 80 26.992 7.201 -1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 80 24.073 6.709 0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 80 24.747 7.445 -0.624 1.00 0.00 H new ATOM 1297 N PRO A 81 27.477 6.144 -4.181 1.00 0.00 N ATOM 1298 CA PRO A 81 28.444 6.451 -5.233 1.00 0.00 C ATOM 1299 C PRO A 81 29.246 7.715 -4.926 1.00 0.00 C ATOM 1300 O PRO A 81 29.476 8.541 -5.803 1.00 0.00 O ATOM 1301 CB PRO A 81 27.549 6.664 -6.452 1.00 0.00 C ATOM 1302 CG PRO A 81 26.282 7.223 -5.897 1.00 0.00 C ATOM 1303 CD PRO A 81 26.128 6.647 -4.511 1.00 0.00 C ATOM 0 HA PRO A 81 29.192 5.668 -5.360 1.00 0.00 H new ATOM 0 HB2 PRO A 81 28.006 7.351 -7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.371 5.728 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 81 26.321 8.312 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 81 25.432 6.955 -6.525 1.00 0.00 H new ATOM 0 HD2 PRO A 81 25.799 7.404 -3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 81 25.388 5.847 -4.491 1.00 0.00 H new ATOM 1311 N SER A 82 29.692 7.839 -3.682 1.00 0.00 N ATOM 1312 CA SER A 82 30.408 9.030 -3.234 1.00 0.00 C ATOM 1313 C SER A 82 31.799 9.106 -3.862 1.00 0.00 C ATOM 1314 O SER A 82 32.328 10.195 -4.090 1.00 0.00 O ATOM 1315 CB SER A 82 30.512 9.038 -1.703 1.00 0.00 C ATOM 1316 OG SER A 82 31.163 10.207 -1.229 1.00 0.00 O ATOM 0 H SER A 82 29.570 7.127 -2.962 1.00 0.00 H new ATOM 0 HA SER A 82 29.846 9.907 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 82 29.514 8.976 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 82 31.059 8.156 -1.370 1.00 0.00 H new ATOM 0 HG SER A 82 31.211 10.181 -0.251 1.00 0.00 H new ATOM 1322 N ASP A 83 32.386 7.949 -4.148 1.00 0.00 N ATOM 1323 CA ASP A 83 33.712 7.902 -4.753 1.00 0.00 C ATOM 1324 C ASP A 83 33.614 8.025 -6.270 1.00 0.00 C ATOM 1325 O ASP A 83 34.597 8.345 -6.945 1.00 0.00 O ATOM 1326 CB ASP A 83 34.440 6.610 -4.373 1.00 0.00 C ATOM 1327 CG ASP A 83 33.793 5.374 -4.961 1.00 0.00 C ATOM 1328 OD1 ASP A 83 32.823 4.862 -4.359 1.00 0.00 O ATOM 1329 OD2 ASP A 83 34.263 4.899 -6.015 1.00 0.00 O ATOM 0 H ASP A 83 31.967 7.036 -3.972 1.00 0.00 H new ATOM 0 HA ASP A 83 34.287 8.746 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 83 35.474 6.669 -4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 83 34.465 6.519 -3.287 1.00 0.00 H new ATOM 1334 N PHE A 84 32.423 7.778 -6.801 1.00 0.00 N ATOM 1335 CA PHE A 84 32.183 7.923 -8.226 1.00 0.00 C ATOM 1336 C PHE A 84 31.834 9.370 -8.537 1.00 0.00 C ATOM 1337 O PHE A 84 30.842 9.902 -8.038 1.00 0.00 O ATOM 1338 CB PHE A 84 31.054 6.998 -8.689 1.00 0.00 C ATOM 1339 CG PHE A 84 31.336 5.541 -8.462 1.00 0.00 C ATOM 1340 CD1 PHE A 84 32.368 4.909 -9.134 1.00 0.00 C ATOM 1341 CD2 PHE A 84 30.567 4.805 -7.580 1.00 0.00 C ATOM 1342 CE1 PHE A 84 32.628 3.569 -8.928 1.00 0.00 C ATOM 1343 CE2 PHE A 84 30.819 3.464 -7.369 1.00 0.00 C ATOM 1344 CZ PHE A 84 31.851 2.844 -8.044 1.00 0.00 C ATOM 0 H PHE A 84 31.610 7.476 -6.264 1.00 0.00 H new ATOM 0 HA PHE A 84 33.090 7.643 -8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 84 30.137 7.268 -8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 84 30.874 7.163 -9.751 1.00 0.00 H new ATOM 0 HD1 PHE A 84 32.977 5.471 -9.827 1.00 0.00 H new ATOM 0 HD2 PHE A 84 29.758 5.285 -7.049 1.00 0.00 H new ATOM 0 HE1 PHE A 84 33.437 3.088 -9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 84 30.210 2.901 -6.677 1.00 0.00 H new ATOM 0 HZ PHE A 84 32.051 1.795 -7.882 1.00 0.00 H new ATOM 1354 N LYS A 85 32.655 10.007 -9.349 1.00 0.00 N ATOM 1355 CA LYS A 85 32.480 11.418 -9.646 1.00 0.00 C ATOM 1356 C LYS A 85 32.062 11.619 -11.096 1.00 0.00 C ATOM 1357 O LYS A 85 31.516 12.664 -11.455 1.00 0.00 O ATOM 1358 CB LYS A 85 33.776 12.172 -9.336 1.00 0.00 C ATOM 1359 CG LYS A 85 34.126 12.167 -7.854 1.00 0.00 C ATOM 1360 CD LYS A 85 35.517 12.725 -7.595 1.00 0.00 C ATOM 1361 CE LYS A 85 36.603 11.799 -8.120 1.00 0.00 C ATOM 1362 NZ LYS A 85 36.575 10.471 -7.448 1.00 0.00 N ATOM 0 H LYS A 85 33.450 9.571 -9.816 1.00 0.00 H new ATOM 0 HA LYS A 85 31.683 11.817 -9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 85 34.595 11.723 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 85 33.681 13.203 -9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 85 33.391 12.757 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 85 34.067 11.148 -7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 85 35.611 13.702 -8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 85 35.655 12.876 -6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 85 36.477 11.665 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 85 37.578 12.262 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 37.442 9.946 -7.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 36.516 10.604 -6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 35.747 9.934 -7.775 1.00 0.00 H new ATOM 1376 N ASN A 86 32.304 10.610 -11.920 1.00 0.00 N ATOM 1377 CA ASN A 86 31.915 10.659 -13.324 1.00 0.00 C ATOM 1378 C ASN A 86 30.589 9.939 -13.533 1.00 0.00 C ATOM 1379 O ASN A 86 30.302 8.940 -12.872 1.00 0.00 O ATOM 1380 CB ASN A 86 32.985 10.026 -14.218 1.00 0.00 C ATOM 1381 CG ASN A 86 34.301 10.783 -14.221 1.00 0.00 C ATOM 1382 OD1 ASN A 86 34.659 11.454 -13.249 1.00 0.00 O ATOM 1383 ND2 ASN A 86 35.040 10.671 -15.312 1.00 0.00 N ATOM 0 H ASN A 86 32.768 9.746 -11.641 1.00 0.00 H new ATOM 0 HA ASN A 86 31.807 11.708 -13.600 1.00 0.00 H new ATOM 0 HB2 ASN A 86 33.165 9.003 -13.887 1.00 0.00 H new ATOM 0 HB3 ASN A 86 32.606 9.969 -15.238 1.00 0.00 H new ATOM 0 HD21 ASN A 86 35.939 11.148 -15.370 1.00 0.00 H new ATOM 0 HD22 ASN A 86 34.711 10.107 -16.095 1.00 0.00 H new ATOM 1390 N ALA A 87 29.787 10.451 -14.456 1.00 0.00 N ATOM 1391 CA ALA A 87 28.462 9.902 -14.727 1.00 0.00 C ATOM 1392 C ALA A 87 28.529 8.475 -15.265 1.00 0.00 C ATOM 1393 O ALA A 87 27.654 7.656 -14.977 1.00 0.00 O ATOM 1394 CB ALA A 87 27.710 10.796 -15.701 1.00 0.00 C ATOM 0 H ALA A 87 30.032 11.254 -15.036 1.00 0.00 H new ATOM 0 HA ALA A 87 27.925 9.868 -13.779 1.00 0.00 H new ATOM 0 HB1 ALA A 87 26.723 10.375 -15.894 1.00 0.00 H new ATOM 0 HB2 ALA A 87 27.601 11.792 -15.271 1.00 0.00 H new ATOM 0 HB3 ALA A 87 28.265 10.863 -16.636 1.00 0.00 H new ATOM 1400 N ASP A 88 29.571 8.175 -16.030 1.00 0.00 N ATOM 1401 CA ASP A 88 29.700 6.866 -16.667 1.00 0.00 C ATOM 1402 C ASP A 88 29.968 5.763 -15.650 1.00 0.00 C ATOM 1403 O ASP A 88 29.425 4.665 -15.771 1.00 0.00 O ATOM 1404 CB ASP A 88 30.792 6.883 -17.735 1.00 0.00 C ATOM 1405 CG ASP A 88 30.331 7.559 -19.011 1.00 0.00 C ATOM 1406 OD1 ASP A 88 30.449 8.797 -19.114 1.00 0.00 O ATOM 1407 OD2 ASP A 88 29.846 6.852 -19.921 1.00 0.00 O ATOM 0 H ASP A 88 30.339 8.817 -16.226 1.00 0.00 H new ATOM 0 HA ASP A 88 28.746 6.648 -17.147 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.669 7.401 -17.348 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.097 5.860 -17.957 1.00 0.00 H new ATOM 1412 N GLU A 89 30.796 6.047 -14.648 1.00 0.00 N ATOM 1413 CA GLU A 89 31.031 5.090 -13.569 1.00 0.00 C ATOM 1414 C GLU A 89 29.727 4.785 -12.840 1.00 0.00 C ATOM 1415 O GLU A 89 29.503 3.663 -12.385 1.00 0.00 O ATOM 1416 CB GLU A 89 32.077 5.607 -12.572 1.00 0.00 C ATOM 1417 CG GLU A 89 33.506 5.581 -13.096 1.00 0.00 C ATOM 1418 CD GLU A 89 33.875 6.822 -13.872 1.00 0.00 C ATOM 1419 OE1 GLU A 89 33.332 7.023 -14.977 1.00 0.00 O ATOM 1420 OE2 GLU A 89 34.730 7.593 -13.386 1.00 0.00 O ATOM 0 H GLU A 89 31.311 6.923 -14.560 1.00 0.00 H new ATOM 0 HA GLU A 89 31.417 4.175 -14.019 1.00 0.00 H new ATOM 0 HB2 GLU A 89 31.823 6.630 -12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 89 32.024 5.007 -11.664 1.00 0.00 H new ATOM 0 HG2 GLU A 89 34.192 5.467 -12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 89 33.636 4.708 -13.735 1.00 0.00 H new ATOM 1427 N ARG A 90 28.861 5.789 -12.747 1.00 0.00 N ATOM 1428 CA ARG A 90 27.554 5.611 -12.131 1.00 0.00 C ATOM 1429 C ARG A 90 26.706 4.681 -12.991 1.00 0.00 C ATOM 1430 O ARG A 90 25.994 3.820 -12.480 1.00 0.00 O ATOM 1431 CB ARG A 90 26.841 6.955 -11.971 1.00 0.00 C ATOM 1432 CG ARG A 90 27.713 8.051 -11.384 1.00 0.00 C ATOM 1433 CD ARG A 90 26.936 9.348 -11.238 1.00 0.00 C ATOM 1434 NE ARG A 90 27.809 10.500 -11.009 1.00 0.00 N ATOM 1435 CZ ARG A 90 28.288 10.865 -9.818 1.00 0.00 C ATOM 1436 NH1 ARG A 90 28.034 10.136 -8.737 1.00 0.00 N ATOM 1437 NH2 ARG A 90 29.033 11.955 -9.715 1.00 0.00 N ATOM 0 H ARG A 90 29.042 6.732 -13.090 1.00 0.00 H new ATOM 0 HA ARG A 90 27.694 5.173 -11.142 1.00 0.00 H new ATOM 0 HB2 ARG A 90 26.475 7.279 -12.945 1.00 0.00 H new ATOM 0 HB3 ARG A 90 25.968 6.818 -11.332 1.00 0.00 H new ATOM 0 HG2 ARG A 90 28.090 7.738 -10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 90 28.580 8.213 -12.025 1.00 0.00 H new ATOM 0 HD2 ARG A 90 26.345 9.517 -12.138 1.00 0.00 H new ATOM 0 HD3 ARG A 90 26.235 9.257 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 90 28.070 11.064 -11.818 1.00 0.00 H new ATOM 0 HH11 ARG A 90 27.469 9.290 -8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 90 28.404 10.422 -7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 90 29.239 12.512 -10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 90 29.401 12.237 -8.807 1.00 0.00 H new ATOM 1451 N ILE A 91 26.804 4.867 -14.305 1.00 0.00 N ATOM 1452 CA ILE A 91 26.085 4.033 -15.262 1.00 0.00 C ATOM 1453 C ILE A 91 26.554 2.587 -15.165 1.00 0.00 C ATOM 1454 O ILE A 91 25.741 1.669 -15.114 1.00 0.00 O ATOM 1455 CB ILE A 91 26.280 4.539 -16.711 1.00 0.00 C ATOM 1456 CG1 ILE A 91 25.709 5.951 -16.858 1.00 0.00 C ATOM 1457 CG2 ILE A 91 25.618 3.593 -17.709 1.00 0.00 C ATOM 1458 CD1 ILE A 91 26.048 6.611 -18.175 1.00 0.00 C ATOM 0 H ILE A 91 27.379 5.593 -14.733 1.00 0.00 H new ATOM 0 HA ILE A 91 25.025 4.091 -15.014 1.00 0.00 H new ATOM 0 HB ILE A 91 27.348 4.567 -16.925 1.00 0.00 H new ATOM 0 HG12 ILE A 91 24.625 5.908 -16.752 1.00 0.00 H new ATOM 0 HG13 ILE A 91 26.084 6.571 -16.044 1.00 0.00 H new ATOM 0 HG21 ILE A 91 25.768 3.969 -18.721 1.00 0.00 H new ATOM 0 HG22 ILE A 91 26.062 2.602 -17.620 1.00 0.00 H new ATOM 0 HG23 ILE A 91 24.550 3.532 -17.499 1.00 0.00 H new ATOM 0 HD11 ILE A 91 25.609 7.608 -18.206 1.00 0.00 H new ATOM 0 HD12 ILE A 91 27.131 6.688 -18.276 1.00 0.00 H new ATOM 0 HD13 ILE A 91 25.649 6.014 -18.995 1.00 0.00 H new ATOM 1470 N ALA A 92 27.867 2.402 -15.110 1.00 0.00 N ATOM 1471 CA ALA A 92 28.460 1.072 -15.047 1.00 0.00 C ATOM 1472 C ALA A 92 28.007 0.314 -13.804 1.00 0.00 C ATOM 1473 O ALA A 92 27.716 -0.883 -13.869 1.00 0.00 O ATOM 1474 CB ALA A 92 29.977 1.169 -15.083 1.00 0.00 C ATOM 0 H ALA A 92 28.546 3.163 -15.108 1.00 0.00 H new ATOM 0 HA ALA A 92 28.118 0.514 -15.919 1.00 0.00 H new ATOM 0 HB1 ALA A 92 30.407 0.168 -15.035 1.00 0.00 H new ATOM 0 HB2 ALA A 92 30.289 1.654 -16.008 1.00 0.00 H new ATOM 0 HB3 ALA A 92 30.324 1.754 -14.232 1.00 0.00 H new ATOM 1480 N TYR A 93 27.931 1.006 -12.672 1.00 0.00 N ATOM 1481 CA TYR A 93 27.536 0.363 -11.428 1.00 0.00 C ATOM 1482 C TYR A 93 26.053 -0.007 -11.460 1.00 0.00 C ATOM 1483 O TYR A 93 25.662 -1.079 -10.992 1.00 0.00 O ATOM 1484 CB TYR A 93 27.836 1.256 -10.222 1.00 0.00 C ATOM 1485 CG TYR A 93 27.809 0.500 -8.913 1.00 0.00 C ATOM 1486 CD1 TYR A 93 28.920 -0.216 -8.488 1.00 0.00 C ATOM 1487 CD2 TYR A 93 26.675 0.492 -8.109 1.00 0.00 C ATOM 1488 CE1 TYR A 93 28.901 -0.926 -7.305 1.00 0.00 C ATOM 1489 CE2 TYR A 93 26.648 -0.214 -6.921 1.00 0.00 C ATOM 1490 CZ TYR A 93 27.766 -0.921 -6.523 1.00 0.00 C ATOM 1491 OH TYR A 93 27.746 -1.630 -5.345 1.00 0.00 O ATOM 0 H TYR A 93 28.136 2.002 -12.592 1.00 0.00 H new ATOM 0 HA TYR A 93 28.122 -0.550 -11.326 1.00 0.00 H new ATOM 0 HB2 TYR A 93 28.816 1.716 -10.351 1.00 0.00 H new ATOM 0 HB3 TYR A 93 27.107 2.065 -10.184 1.00 0.00 H new ATOM 0 HD1 TYR A 93 29.814 -0.217 -9.094 1.00 0.00 H new ATOM 0 HD2 TYR A 93 25.801 1.046 -8.418 1.00 0.00 H new ATOM 0 HE1 TYR A 93 29.772 -1.483 -6.993 1.00 0.00 H new ATOM 0 HE2 TYR A 93 25.759 -0.213 -6.308 1.00 0.00 H new ATOM 0 HH TYR A 93 28.665 -1.791 -5.045 1.00 0.00 H new ATOM 1501 N ILE A 94 25.231 0.873 -12.026 1.00 0.00 N ATOM 1502 CA ILE A 94 23.809 0.583 -12.178 1.00 0.00 C ATOM 1503 C ILE A 94 23.622 -0.552 -13.192 1.00 0.00 C ATOM 1504 O ILE A 94 22.747 -1.402 -13.035 1.00 0.00 O ATOM 1505 CB ILE A 94 23.000 1.836 -12.611 1.00 0.00 C ATOM 1506 CG1 ILE A 94 23.181 2.978 -11.593 1.00 0.00 C ATOM 1507 CG2 ILE A 94 21.523 1.492 -12.755 1.00 0.00 C ATOM 1508 CD1 ILE A 94 22.444 4.262 -11.951 1.00 0.00 C ATOM 0 H ILE A 94 25.521 1.783 -12.383 1.00 0.00 H new ATOM 0 HA ILE A 94 23.423 0.275 -11.206 1.00 0.00 H new ATOM 0 HB ILE A 94 23.379 2.169 -13.577 1.00 0.00 H new ATOM 0 HG12 ILE A 94 22.837 2.636 -10.617 1.00 0.00 H new ATOM 0 HG13 ILE A 94 24.244 3.198 -11.497 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.970 2.381 -13.059 1.00 0.00 H new ATOM 0 HG22 ILE A 94 21.402 0.714 -13.509 1.00 0.00 H new ATOM 0 HG23 ILE A 94 21.138 1.134 -11.800 1.00 0.00 H new ATOM 0 HD11 ILE A 94 22.626 5.012 -11.182 1.00 0.00 H new ATOM 0 HD12 ILE A 94 22.803 4.632 -12.911 1.00 0.00 H new ATOM 0 HD13 ILE A 94 21.375 4.061 -12.017 1.00 0.00 H new ATOM 1520 N LEU A 95 24.486 -0.581 -14.207 1.00 0.00 N ATOM 1521 CA LEU A 95 24.471 -1.638 -15.220 1.00 0.00 C ATOM 1522 C LEU A 95 24.807 -3.004 -14.623 1.00 0.00 C ATOM 1523 O LEU A 95 24.378 -4.032 -15.136 1.00 0.00 O ATOM 1524 CB LEU A 95 25.461 -1.328 -16.346 1.00 0.00 C ATOM 1525 CG LEU A 95 24.911 -0.509 -17.515 1.00 0.00 C ATOM 1526 CD1 LEU A 95 26.024 -0.215 -18.510 1.00 0.00 C ATOM 1527 CD2 LEU A 95 23.773 -1.259 -18.193 1.00 0.00 C ATOM 0 H LEU A 95 25.211 0.122 -14.350 1.00 0.00 H new ATOM 0 HA LEU A 95 23.458 -1.673 -15.621 1.00 0.00 H new ATOM 0 HB2 LEU A 95 26.309 -0.792 -15.920 1.00 0.00 H new ATOM 0 HB3 LEU A 95 25.843 -2.271 -16.737 1.00 0.00 H new ATOM 0 HG LEU A 95 24.522 0.436 -17.136 1.00 0.00 H new ATOM 0 HD11 LEU A 95 25.625 0.368 -19.340 1.00 0.00 H new ATOM 0 HD12 LEU A 95 26.814 0.350 -18.016 1.00 0.00 H new ATOM 0 HD13 LEU A 95 26.431 -1.153 -18.888 1.00 0.00 H new ATOM 0 HD21 LEU A 95 23.390 -0.666 -19.023 1.00 0.00 H new ATOM 0 HD22 LEU A 95 24.140 -2.214 -18.568 1.00 0.00 H new ATOM 0 HD23 LEU A 95 22.973 -1.435 -17.473 1.00 0.00 H new ATOM 1539 N LYS A 96 25.589 -3.025 -13.557 1.00 0.00 N ATOM 1540 CA LYS A 96 25.946 -4.288 -12.926 1.00 0.00 C ATOM 1541 C LYS A 96 24.779 -4.802 -12.090 1.00 0.00 C ATOM 1542 O LYS A 96 24.600 -6.009 -11.927 1.00 0.00 O ATOM 1543 CB LYS A 96 27.216 -4.126 -12.073 1.00 0.00 C ATOM 1544 CG LYS A 96 27.864 -5.445 -11.661 1.00 0.00 C ATOM 1545 CD LYS A 96 27.198 -6.055 -10.438 1.00 0.00 C ATOM 1546 CE LYS A 96 27.404 -7.559 -10.389 1.00 0.00 C ATOM 1547 NZ LYS A 96 26.782 -8.237 -11.560 1.00 0.00 N ATOM 0 H LYS A 96 25.985 -2.196 -13.114 1.00 0.00 H new ATOM 0 HA LYS A 96 26.160 -5.024 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 96 27.943 -3.536 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 96 26.968 -3.560 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 96 27.810 -6.149 -12.491 1.00 0.00 H new ATOM 0 HG3 LYS A 96 28.921 -5.279 -11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 96 27.605 -5.601 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 96 26.131 -5.832 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 96 28.471 -7.780 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 96 26.975 -7.956 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 26.453 -9.183 -11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 25.975 -7.675 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 27.484 -8.327 -12.322 1.00 0.00 H new ATOM 1561 N GLN A 97 23.963 -3.882 -11.596 1.00 0.00 N ATOM 1562 CA GLN A 97 22.834 -4.244 -10.752 1.00 0.00 C ATOM 1563 C GLN A 97 21.659 -4.731 -11.591 1.00 0.00 C ATOM 1564 O GLN A 97 20.655 -5.206 -11.053 1.00 0.00 O ATOM 1565 CB GLN A 97 22.415 -3.064 -9.880 1.00 0.00 C ATOM 1566 CG GLN A 97 22.659 -3.292 -8.396 1.00 0.00 C ATOM 1567 CD GLN A 97 24.124 -3.501 -8.053 1.00 0.00 C ATOM 1568 OE1 GLN A 97 24.453 -4.228 -7.118 1.00 0.00 O ATOM 1569 NE2 GLN A 97 25.012 -2.844 -8.783 1.00 0.00 N ATOM 0 H GLN A 97 24.062 -2.881 -11.765 1.00 0.00 H new ATOM 0 HA GLN A 97 23.148 -5.061 -10.102 1.00 0.00 H new ATOM 0 HB2 GLN A 97 22.960 -2.175 -10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 97 21.356 -2.862 -10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 97 22.281 -2.436 -7.837 1.00 0.00 H new ATOM 0 HG3 GLN A 97 22.089 -4.162 -8.071 1.00 0.00 H new ATOM 0 HE21 GLN A 97 24.701 -2.250 -9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 97 26.007 -2.932 -8.577 1.00 0.00 H new ATOM 1578 N ILE A 98 21.797 -4.615 -12.911 1.00 0.00 N ATOM 1579 CA ILE A 98 20.807 -5.143 -13.844 1.00 0.00 C ATOM 1580 C ILE A 98 20.619 -6.639 -13.602 1.00 0.00 C ATOM 1581 O ILE A 98 19.498 -7.153 -13.631 1.00 0.00 O ATOM 1582 CB ILE A 98 21.235 -4.923 -15.318 1.00 0.00 C ATOM 1583 CG1 ILE A 98 21.526 -3.443 -15.595 1.00 0.00 C ATOM 1584 CG2 ILE A 98 20.173 -5.443 -16.277 1.00 0.00 C ATOM 1585 CD1 ILE A 98 20.372 -2.515 -15.310 1.00 0.00 C ATOM 0 H ILE A 98 22.591 -4.157 -13.359 1.00 0.00 H new ATOM 0 HA ILE A 98 19.873 -4.608 -13.672 1.00 0.00 H new ATOM 0 HB ILE A 98 22.153 -5.487 -15.482 1.00 0.00 H new ATOM 0 HG12 ILE A 98 22.381 -3.135 -14.993 1.00 0.00 H new ATOM 0 HG13 ILE A 98 21.816 -3.332 -16.640 1.00 0.00 H new ATOM 0 HG21 ILE A 98 20.498 -5.277 -17.304 1.00 0.00 H new ATOM 0 HG22 ILE A 98 20.025 -6.510 -16.112 1.00 0.00 H new ATOM 0 HG23 ILE A 98 19.235 -4.915 -16.103 1.00 0.00 H new ATOM 0 HD11 ILE A 98 20.666 -1.489 -15.534 1.00 0.00 H new ATOM 0 HD12 ILE A 98 19.520 -2.792 -15.931 1.00 0.00 H new ATOM 0 HD13 ILE A 98 20.094 -2.592 -14.259 1.00 0.00 H new ATOM 1597 N ASP A 99 21.734 -7.323 -13.348 1.00 0.00 N ATOM 1598 CA ASP A 99 21.718 -8.756 -13.065 1.00 0.00 C ATOM 1599 C ASP A 99 20.969 -9.047 -11.770 1.00 0.00 C ATOM 1600 O ASP A 99 20.085 -9.904 -11.723 1.00 0.00 O ATOM 1601 CB ASP A 99 23.143 -9.304 -12.930 1.00 0.00 C ATOM 1602 CG ASP A 99 23.963 -9.174 -14.194 1.00 0.00 C ATOM 1603 OD1 ASP A 99 23.897 -10.085 -15.047 1.00 0.00 O ATOM 1604 OD2 ASP A 99 24.699 -8.177 -14.326 1.00 0.00 O ATOM 0 H ASP A 99 22.664 -6.904 -13.333 1.00 0.00 H new ATOM 0 HA ASP A 99 21.214 -9.242 -13.900 1.00 0.00 H new ATOM 0 HB2 ASP A 99 23.651 -8.778 -12.122 1.00 0.00 H new ATOM 0 HB3 ASP A 99 23.094 -10.355 -12.645 1.00 0.00 H new