USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 19 HIS HE2 : A 19 HIS NE2 : A 90 HEMFE :(H bumps) USER MOD Set 1.1: A 24 ASN : amide:sc= 3.6 K(o=1.9,f=-12!) USER MOD Set 1.2: A 90 HEM CMD :methyl 150:sc= -1.67 (180deg=-1.67) USER MOD Set 2.1: A 79 TYR OH : rot 180:sc= 0.607 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.607 K(o=-2.7e-05,f=-3.8!) USER MOD Set 3.1: A 53 GLN : amide:sc= 1.29 K(o=4.5,f=-7.5) USER MOD Set 3.2: A 58 LYS NZ :NH3+ 177:sc= 3.25 (180deg=1.95) USER MOD Set 4.1: A 31 THR OG1 : rot 142:sc= 0.848 USER MOD Set 4.2: A 33 GLN : amide:sc= 1.93 K(o=2.8,f=-3) USER MOD Single : A 1 GLU N :NH3+ 143:sc= 1.65 (180deg=-2!) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.0726 (180deg=-2.75!) USER MOD Single : A 14 ASN : amide:sc= 1.05 K(o=1,f=0.41) USER MOD Single : A 25 ASN : amide:sc= -0.0462 X(o=-0.046,f=-0.046) USER MOD Single : A 30 HIS : no HE2:sc= -0.702 K(o=-0.7,f=-3.6!) USER MOD Single : A 34 LYS NZ :NH3+ -131:sc= 0.856 (180deg=-3.48!) USER MOD Single : A 39 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 46 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 52 TYR OH : rot -159:sc= 1.27 USER MOD Single : A 56 ASN : amide:sc= 1.31 K(o=1.3,f=-0.83) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.288 (180deg=-0.288) USER MOD Single : A 81 TYR OH : rot 163:sc= 1.18 USER MOD Single : A 87 ASN : amide:sc= 0.832 K(o=0.83,f=-0.47) USER MOD Single : A 88 LYS NZ :NH3+ -111:sc= 0.285! (180deg=-4.06!) USER MOD Single : A 90 HEM CMA :methyl 150:sc= -0.711 (180deg=-0.711) USER MOD Single : A 90 HEM CMB :methyl 150:sc= -0.842 (180deg=-0.842) USER MOD Single : A 90 HEM CMC :methyl 150:sc= -0.396 (180deg=-0.396) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.431 -15.530 -5.349 1.00 0.00 N ATOM 2 CA GLU A 1 4.448 -16.099 -4.417 1.00 0.00 C ATOM 3 C GLU A 1 3.688 -15.036 -3.604 1.00 0.00 C ATOM 4 O GLU A 1 2.988 -15.405 -2.665 1.00 0.00 O ATOM 5 CB GLU A 1 5.085 -17.171 -3.511 1.00 0.00 C ATOM 6 CG GLU A 1 5.535 -18.433 -4.272 1.00 0.00 C ATOM 7 CD GLU A 1 6.972 -18.379 -4.779 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.287 -17.365 -5.438 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.715 -19.341 -4.504 1.00 0.00 O ATOM 0 H1 GLU A 1 6.271 -16.142 -5.384 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.011 -15.463 -6.298 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.708 -14.581 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 1 3.694 -16.589 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.945 -16.739 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.368 -17.457 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.425 -19.297 -3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.868 -18.589 -5.120 1.00 0.00 H new ATOM 10 N ALA A 2 3.795 -13.739 -3.932 1.00 0.00 N ATOM 11 CA ALA A 2 3.135 -12.660 -3.197 1.00 0.00 C ATOM 12 C ALA A 2 3.471 -12.733 -1.704 1.00 0.00 C ATOM 13 O ALA A 2 2.598 -12.613 -0.845 1.00 0.00 O ATOM 14 CB ALA A 2 1.623 -12.681 -3.458 1.00 0.00 C ATOM 0 H ALA A 2 4.349 -13.411 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 2 3.512 -11.703 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.147 -11.872 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.436 -12.550 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.211 -13.636 -3.132 1.00 0.00 H new ATOM 15 N ASP A 3 4.753 -12.949 -1.405 1.00 0.00 N ATOM 16 CA ASP A 3 5.232 -13.151 -0.047 1.00 0.00 C ATOM 17 C ASP A 3 5.195 -11.840 0.749 1.00 0.00 C ATOM 18 O ASP A 3 5.302 -10.741 0.201 1.00 0.00 O ATOM 19 CB ASP A 3 6.616 -13.818 -0.087 1.00 0.00 C ATOM 20 CG ASP A 3 7.421 -13.610 1.186 1.00 0.00 C ATOM 21 OD1 ASP A 3 6.866 -13.792 2.292 1.00 0.00 O ATOM 22 OD2 ASP A 3 8.569 -13.152 1.038 1.00 0.00 O ATOM 0 H ASP A 3 5.490 -12.988 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 3 4.568 -13.830 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.492 -14.887 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.178 -13.422 -0.933 1.00 0.00 H new ATOM 23 N LEU A 4 5.042 -11.982 2.064 1.00 0.00 N ATOM 24 CA LEU A 4 4.989 -10.898 3.021 1.00 0.00 C ATOM 25 C LEU A 4 6.392 -10.341 3.259 1.00 0.00 C ATOM 26 O LEU A 4 6.538 -9.134 3.426 1.00 0.00 O ATOM 27 CB LEU A 4 4.365 -11.375 4.337 1.00 0.00 C ATOM 28 CG LEU A 4 3.023 -12.107 4.173 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.430 -12.333 5.565 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.005 -11.339 3.321 1.00 0.00 C ATOM 0 H LEU A 4 4.948 -12.898 2.502 1.00 0.00 H new ATOM 0 HA LEU A 4 4.363 -10.102 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.069 -12.039 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.218 -10.514 4.989 1.00 0.00 H new ATOM 0 HG LEU A 4 3.225 -13.043 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.476 -12.852 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.116 -12.937 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.275 -11.372 6.055 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.083 -11.915 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.795 -10.375 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.413 -11.180 2.323 1.00 0.00 H new ATOM 31 N ALA A 5 7.427 -11.190 3.286 1.00 0.00 N ATOM 32 CA ALA A 5 8.796 -10.711 3.475 1.00 0.00 C ATOM 33 C ALA A 5 9.267 -9.961 2.227 1.00 0.00 C ATOM 34 O ALA A 5 9.805 -8.862 2.342 1.00 0.00 O ATOM 35 CB ALA A 5 9.732 -11.860 3.856 1.00 0.00 C ATOM 0 H ALA A 5 7.342 -12.201 3.180 1.00 0.00 H new ATOM 0 HA ALA A 5 8.816 -10.007 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.743 -11.476 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.390 -12.315 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.730 -12.609 3.064 1.00 0.00 H new ATOM 36 N LEU A 6 9.021 -10.512 1.037 1.00 0.00 N ATOM 37 CA LEU A 6 9.152 -9.836 -0.237 1.00 0.00 C ATOM 38 C LEU A 6 8.407 -8.500 -0.165 1.00 0.00 C ATOM 39 O LEU A 6 9.003 -7.439 -0.347 1.00 0.00 O ATOM 40 CB LEU A 6 8.582 -10.775 -1.313 1.00 0.00 C ATOM 41 CG LEU A 6 8.553 -10.163 -2.715 1.00 0.00 C ATOM 42 CD1 LEU A 6 9.954 -10.091 -3.331 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.624 -10.977 -3.625 1.00 0.00 C ATOM 0 H LEU A 6 8.713 -11.480 0.940 1.00 0.00 H new ATOM 0 HA LEU A 6 10.189 -9.612 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.177 -11.688 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.569 -11.063 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 6 8.175 -9.145 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.892 -9.651 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.597 -9.476 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.371 -11.095 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.610 -10.534 -4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.986 -12.003 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.615 -10.973 -3.212 1.00 0.00 H new ATOM 44 N GLY A 7 7.104 -8.548 0.129 1.00 0.00 N ATOM 45 CA GLY A 7 6.281 -7.361 0.276 1.00 0.00 C ATOM 46 C GLY A 7 6.918 -6.332 1.207 1.00 0.00 C ATOM 47 O GLY A 7 6.975 -5.148 0.884 1.00 0.00 O ATOM 0 H GLY A 7 6.595 -9.420 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.117 -6.911 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.303 -7.644 0.665 1.00 0.00 H new ATOM 48 N LYS A 8 7.429 -6.767 2.359 1.00 0.00 N ATOM 49 CA LYS A 8 8.134 -5.889 3.261 1.00 0.00 C ATOM 50 C LYS A 8 9.352 -5.278 2.566 1.00 0.00 C ATOM 51 O LYS A 8 9.481 -4.062 2.526 1.00 0.00 O ATOM 52 CB LYS A 8 8.513 -6.628 4.548 1.00 0.00 C ATOM 53 CG LYS A 8 9.280 -5.636 5.415 1.00 0.00 C ATOM 54 CD LYS A 8 9.500 -6.125 6.843 1.00 0.00 C ATOM 55 CE LYS A 8 10.594 -5.281 7.523 1.00 0.00 C ATOM 56 NZ LYS A 8 10.377 -3.824 7.372 1.00 0.00 N ATOM 0 H LYS A 8 7.361 -7.732 2.681 1.00 0.00 H new ATOM 0 HA LYS A 8 7.475 -5.068 3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.623 -6.986 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.125 -7.502 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.247 -5.434 4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.736 -4.692 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.571 -6.055 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.790 -7.176 6.836 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.630 -5.530 8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.564 -5.544 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.296 -3.339 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.850 -3.641 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.833 -3.468 8.184 1.00 0.00 H new ATOM 57 N ALA A 9 10.261 -6.103 2.045 1.00 0.00 N ATOM 58 CA ALA A 9 11.453 -5.639 1.342 1.00 0.00 C ATOM 59 C ALA A 9 11.110 -4.553 0.315 1.00 0.00 C ATOM 60 O ALA A 9 11.763 -3.510 0.266 1.00 0.00 O ATOM 61 CB ALA A 9 12.169 -6.821 0.681 1.00 0.00 C ATOM 0 H ALA A 9 10.188 -7.119 2.101 1.00 0.00 H new ATOM 0 HA ALA A 9 12.127 -5.190 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.057 -6.463 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.462 -7.542 1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.498 -7.300 -0.032 1.00 0.00 H new ATOM 62 N VAL A 10 10.063 -4.778 -0.484 1.00 0.00 N ATOM 63 CA VAL A 10 9.551 -3.777 -1.400 1.00 0.00 C ATOM 64 C VAL A 10 9.145 -2.524 -0.621 1.00 0.00 C ATOM 65 O VAL A 10 9.631 -1.434 -0.926 1.00 0.00 O ATOM 66 CB VAL A 10 8.371 -4.364 -2.187 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.743 -3.315 -3.106 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.797 -5.549 -3.054 1.00 0.00 C ATOM 0 H VAL A 10 9.553 -5.661 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 10 10.324 -3.489 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 10 7.648 -4.697 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.910 -3.760 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.381 -2.478 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.490 -2.958 -3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.932 -5.934 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.555 -5.224 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.208 -6.334 -2.420 1.00 0.00 H new ATOM 69 N PHE A 11 8.256 -2.678 0.363 1.00 0.00 N ATOM 70 CA PHE A 11 7.722 -1.596 1.180 1.00 0.00 C ATOM 71 C PHE A 11 8.831 -0.685 1.699 1.00 0.00 C ATOM 72 O PHE A 11 8.867 0.513 1.405 1.00 0.00 O ATOM 73 CB PHE A 11 6.893 -2.167 2.334 1.00 0.00 C ATOM 74 CG PHE A 11 6.189 -1.113 3.156 1.00 0.00 C ATOM 75 CD1 PHE A 11 4.960 -0.590 2.718 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.807 -0.582 4.304 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.386 0.507 3.381 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.212 0.489 4.989 1.00 0.00 C ATOM 79 CZ PHE A 11 5.011 1.047 4.518 1.00 0.00 C ATOM 0 H PHE A 11 7.878 -3.591 0.618 1.00 0.00 H new ATOM 0 HA PHE A 11 7.072 -0.986 0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.151 -2.856 1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.546 -2.748 2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.457 -1.032 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.739 -0.999 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.464 0.936 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.678 0.885 5.879 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.569 1.890 5.029 1.00 0.00 H new ATOM 80 N ASP A 12 9.742 -1.286 2.461 1.00 0.00 N ATOM 81 CA ASP A 12 10.909 -0.672 3.057 1.00 0.00 C ATOM 82 C ASP A 12 11.690 0.166 2.038 1.00 0.00 C ATOM 83 O ASP A 12 12.209 1.222 2.392 1.00 0.00 O ATOM 84 CB ASP A 12 11.781 -1.780 3.663 1.00 0.00 C ATOM 85 CG ASP A 12 11.244 -2.332 4.979 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.025 -2.595 5.092 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.044 -2.553 5.916 1.00 0.00 O ATOM 0 H ASP A 12 9.673 -2.278 2.688 1.00 0.00 H new ATOM 0 HA ASP A 12 10.597 0.018 3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.867 -2.596 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.786 -1.391 3.826 1.00 0.00 H new ATOM 88 N GLY A 13 11.786 -0.284 0.781 1.00 0.00 N ATOM 89 CA GLY A 13 12.531 0.431 -0.241 1.00 0.00 C ATOM 90 C GLY A 13 11.696 1.540 -0.878 1.00 0.00 C ATOM 91 O GLY A 13 12.185 2.645 -1.096 1.00 0.00 O ATOM 0 H GLY A 13 11.351 -1.147 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.431 0.860 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.855 -0.269 -1.011 1.00 0.00 H new ATOM 92 N ASN A 14 10.453 1.218 -1.244 1.00 0.00 N ATOM 93 CA ASN A 14 9.685 1.962 -2.236 1.00 0.00 C ATOM 94 C ASN A 14 8.629 2.865 -1.605 1.00 0.00 C ATOM 95 O ASN A 14 8.290 3.911 -2.156 1.00 0.00 O ATOM 96 CB ASN A 14 8.993 0.987 -3.199 1.00 0.00 C ATOM 97 CG ASN A 14 9.981 0.226 -4.075 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.263 0.625 -5.199 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.512 -0.884 -3.570 1.00 0.00 N ATOM 0 H ASN A 14 9.948 0.423 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 14 10.392 2.597 -2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.400 0.275 -2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.301 1.540 -3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.174 -1.429 -4.122 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.257 -1.190 -2.631 1.00 0.00 H new ATOM 100 N CYS A 15 8.050 2.417 -0.492 1.00 0.00 N ATOM 101 CA CYS A 15 6.777 2.903 0.026 1.00 0.00 C ATOM 102 C CYS A 15 7.028 3.687 1.313 1.00 0.00 C ATOM 103 O CYS A 15 6.487 4.779 1.524 1.00 0.00 O ATOM 104 CB CYS A 15 5.879 1.718 0.290 1.00 0.00 C ATOM 105 SG CYS A 15 5.771 0.542 -1.101 1.00 0.00 S ATOM 0 H CYS A 15 8.466 1.688 0.087 1.00 0.00 H new ATOM 0 HA CYS A 15 6.294 3.562 -0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.242 1.190 1.171 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.878 2.079 0.525 1.00 0.00 H new ATOM 106 N ALA A 16 7.908 3.129 2.155 1.00 0.00 N ATOM 107 CA ALA A 16 8.384 3.733 3.390 1.00 0.00 C ATOM 108 C ALA A 16 8.758 5.205 3.192 1.00 0.00 C ATOM 109 O ALA A 16 8.517 6.017 4.080 1.00 0.00 O ATOM 110 CB ALA A 16 9.578 2.937 3.918 1.00 0.00 C ATOM 0 H ALA A 16 8.318 2.211 1.981 1.00 0.00 H new ATOM 0 HA ALA A 16 7.577 3.704 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.936 3.388 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.273 1.908 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.378 2.946 3.177 1.00 0.00 H new ATOM 111 N ALA A 17 9.309 5.543 2.022 1.00 0.00 N ATOM 112 CA ALA A 17 9.606 6.907 1.601 1.00 0.00 C ATOM 113 C ALA A 17 8.519 7.913 2.000 1.00 0.00 C ATOM 114 O ALA A 17 8.843 8.986 2.504 1.00 0.00 O ATOM 115 CB ALA A 17 9.814 6.924 0.083 1.00 0.00 C ATOM 0 H ALA A 17 9.567 4.848 1.322 1.00 0.00 H new ATOM 0 HA ALA A 17 10.513 7.221 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.037 7.940 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.645 6.269 -0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.908 6.575 -0.412 1.00 0.00 H new ATOM 116 N CYS A 18 7.245 7.585 1.751 1.00 0.00 N ATOM 117 CA CYS A 18 6.121 8.490 1.995 1.00 0.00 C ATOM 118 C CYS A 18 5.302 8.046 3.205 1.00 0.00 C ATOM 119 O CYS A 18 4.736 8.885 3.908 1.00 0.00 O ATOM 120 CB CYS A 18 5.232 8.559 0.781 1.00 0.00 C ATOM 121 SG CYS A 18 6.048 9.424 -0.592 1.00 0.00 S ATOM 0 H CYS A 18 6.966 6.680 1.373 1.00 0.00 H new ATOM 0 HA CYS A 18 6.531 9.478 2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.962 7.550 0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.305 9.072 1.036 1.00 0.00 H new ATOM 122 N HIS A 19 5.190 6.733 3.420 1.00 0.00 N ATOM 123 CA HIS A 19 4.315 6.158 4.435 1.00 0.00 C ATOM 124 C HIS A 19 5.054 5.842 5.737 1.00 0.00 C ATOM 125 O HIS A 19 4.454 5.905 6.806 1.00 0.00 O ATOM 126 CB HIS A 19 3.640 4.922 3.830 1.00 0.00 C ATOM 127 CG HIS A 19 2.645 5.285 2.751 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.420 5.863 2.985 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.743 5.057 1.401 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.784 5.962 1.809 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.545 5.487 0.812 1.00 0.00 N ATOM 0 H HIS A 19 5.710 6.036 2.888 1.00 0.00 H new ATOM 0 HA HIS A 19 3.557 6.888 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.401 4.262 3.413 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.132 4.365 4.618 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.060 6.163 3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.589 4.625 0.886 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.208 6.370 1.682 1.00 0.00 H new ATOM 132 N ALA A 20 6.342 5.501 5.679 1.00 0.00 N ATOM 133 CA ALA A 20 7.116 5.038 6.827 1.00 0.00 C ATOM 134 C ALA A 20 6.324 4.009 7.649 1.00 0.00 C ATOM 135 O ALA A 20 5.950 2.965 7.117 1.00 0.00 O ATOM 136 CB ALA A 20 7.623 6.242 7.631 1.00 0.00 C ATOM 0 H ALA A 20 6.885 5.540 4.816 1.00 0.00 H new ATOM 0 HA ALA A 20 8.003 4.502 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.200 5.891 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.256 6.863 6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.774 6.829 7.982 1.00 0.00 H new ATOM 137 N GLY A 21 6.029 4.289 8.924 1.00 0.00 N ATOM 138 CA GLY A 21 5.276 3.391 9.793 1.00 0.00 C ATOM 139 C GLY A 21 3.778 3.427 9.481 1.00 0.00 C ATOM 140 O GLY A 21 2.968 3.756 10.343 1.00 0.00 O ATOM 0 H GLY A 21 6.312 5.156 9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.648 2.373 9.675 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.438 3.671 10.834 1.00 0.00 H new ATOM 141 N GLY A 22 3.409 3.101 8.242 1.00 0.00 N ATOM 142 CA GLY A 22 2.026 3.068 7.789 1.00 0.00 C ATOM 143 C GLY A 22 1.291 4.398 7.949 1.00 0.00 C ATOM 144 O GLY A 22 0.067 4.414 8.074 1.00 0.00 O ATOM 0 H GLY A 22 4.078 2.849 7.515 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.005 2.776 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.490 2.299 8.345 1.00 0.00 H new ATOM 145 N GLY A 23 2.026 5.506 7.930 1.00 0.00 N ATOM 146 CA GLY A 23 1.501 6.855 7.944 1.00 0.00 C ATOM 147 C GLY A 23 1.198 7.319 6.528 1.00 0.00 C ATOM 148 O GLY A 23 1.019 6.507 5.622 1.00 0.00 O ATOM 0 H GLY A 23 3.045 5.480 7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.595 6.893 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.222 7.528 8.408 1.00 0.00 H new ATOM 149 N ASN A 24 1.177 8.637 6.332 1.00 0.00 N ATOM 150 CA ASN A 24 1.232 9.285 5.041 1.00 0.00 C ATOM 151 C ASN A 24 1.887 10.647 5.243 1.00 0.00 C ATOM 152 O ASN A 24 1.425 11.417 6.081 1.00 0.00 O ATOM 153 CB ASN A 24 -0.189 9.465 4.529 1.00 0.00 C ATOM 154 CG ASN A 24 -0.177 9.751 3.038 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.472 10.677 2.559 1.00 0.00 O ATOM 156 ND2 ASN A 24 -0.870 8.907 2.297 1.00 0.00 N ATOM 0 H ASN A 24 1.119 9.300 7.105 1.00 0.00 H new ATOM 0 HA ASN A 24 1.799 8.696 4.321 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.772 8.566 4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.674 10.284 5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.881 9.010 1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.395 8.152 2.739 1.00 0.00 H new ATOM 157 N ASN A 25 2.963 10.947 4.518 1.00 0.00 N ATOM 158 CA ASN A 25 3.621 12.248 4.597 1.00 0.00 C ATOM 159 C ASN A 25 2.911 13.309 3.746 1.00 0.00 C ATOM 160 O ASN A 25 3.107 14.499 3.975 1.00 0.00 O ATOM 161 CB ASN A 25 5.090 12.097 4.183 1.00 0.00 C ATOM 162 CG ASN A 25 5.841 13.426 4.223 1.00 0.00 C ATOM 163 OD1 ASN A 25 6.292 13.922 3.197 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.995 14.011 5.408 1.00 0.00 N ATOM 0 H ASN A 25 3.401 10.299 3.863 1.00 0.00 H new ATOM 0 HA ASN A 25 3.569 12.598 5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.581 11.384 4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.141 11.683 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.499 14.895 5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.609 13.576 6.246 1.00 0.00 H new ATOM 165 N VAL A 26 2.114 12.897 2.757 1.00 0.00 N ATOM 166 CA VAL A 26 1.622 13.771 1.700 1.00 0.00 C ATOM 167 C VAL A 26 0.155 14.158 1.928 1.00 0.00 C ATOM 168 O VAL A 26 -0.156 15.344 1.993 1.00 0.00 O ATOM 169 CB VAL A 26 1.847 13.081 0.348 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.386 13.969 -0.809 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.319 12.724 0.127 1.00 0.00 C ATOM 0 H VAL A 26 1.791 11.934 2.671 1.00 0.00 H new ATOM 0 HA VAL A 26 2.177 14.709 1.708 1.00 0.00 H new ATOM 0 HB VAL A 26 1.257 12.165 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.558 13.454 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.323 14.184 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.948 14.903 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.434 12.238 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.921 13.632 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.652 12.048 0.914 1.00 0.00 H new ATOM 172 N ILE A 27 -0.746 13.172 2.034 1.00 0.00 N ATOM 173 CA ILE A 27 -2.143 13.367 2.427 1.00 0.00 C ATOM 174 C ILE A 27 -2.269 12.764 3.835 1.00 0.00 C ATOM 175 O ILE A 27 -2.465 11.555 3.946 1.00 0.00 O ATOM 176 CB ILE A 27 -3.108 12.749 1.388 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.905 13.454 0.026 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.559 12.947 1.858 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.988 13.148 -1.015 1.00 0.00 C ATOM 0 H ILE A 27 -0.516 12.197 1.844 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.425 14.419 2.454 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.904 11.683 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.870 14.531 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.936 13.162 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.241 12.512 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.699 12.457 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.767 14.012 1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.767 13.683 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.010 12.076 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.959 13.467 -0.635 1.00 0.00 H new ATOM 180 N PRO A 28 -2.078 13.566 4.902 1.00 0.00 N ATOM 181 CA PRO A 28 -1.778 13.092 6.251 1.00 0.00 C ATOM 182 C PRO A 28 -2.658 11.948 6.752 1.00 0.00 C ATOM 183 O PRO A 28 -2.170 11.024 7.397 1.00 0.00 O ATOM 184 CB PRO A 28 -1.919 14.317 7.157 1.00 0.00 C ATOM 185 CG PRO A 28 -1.524 15.470 6.240 1.00 0.00 C ATOM 186 CD PRO A 28 -2.059 15.023 4.880 1.00 0.00 C ATOM 0 HA PRO A 28 -0.777 12.661 6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.937 14.428 7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.266 14.252 8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.970 16.412 6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.444 15.619 6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.059 15.422 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.425 15.391 4.074 1.00 0.00 H new ATOM 187 N ASP A 29 -3.960 12.052 6.496 1.00 0.00 N ATOM 188 CA ASP A 29 -5.012 11.188 7.001 1.00 0.00 C ATOM 189 C ASP A 29 -5.186 9.922 6.157 1.00 0.00 C ATOM 190 O ASP A 29 -5.694 8.923 6.666 1.00 0.00 O ATOM 191 CB ASP A 29 -6.314 12.001 7.073 1.00 0.00 C ATOM 192 CG ASP A 29 -6.718 12.619 5.736 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.823 13.221 5.095 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.915 12.513 5.398 1.00 0.00 O ATOM 0 H ASP A 29 -4.326 12.789 5.893 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.736 10.840 7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.118 11.354 7.424 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.198 12.794 7.811 1.00 0.00 H new ATOM 195 N HIS A 30 -4.722 9.910 4.904 1.00 0.00 N ATOM 196 CA HIS A 30 -4.780 8.742 4.032 1.00 0.00 C ATOM 197 C HIS A 30 -3.665 7.754 4.429 1.00 0.00 C ATOM 198 O HIS A 30 -2.783 7.421 3.635 1.00 0.00 O ATOM 199 CB HIS A 30 -4.702 9.239 2.576 1.00 0.00 C ATOM 200 CG HIS A 30 -6.036 9.417 1.883 1.00 0.00 C ATOM 201 ND1 HIS A 30 -6.433 8.781 0.727 1.00 0.00 N ATOM 202 CD2 HIS A 30 -7.026 10.305 2.212 1.00 0.00 C ATOM 203 CE1 HIS A 30 -7.602 9.313 0.340 1.00 0.00 C ATOM 204 NE2 HIS A 30 -8.011 10.243 1.219 1.00 0.00 N ATOM 0 H HIS A 30 -4.291 10.723 4.465 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.713 8.189 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.174 10.192 2.562 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -4.103 8.534 2.000 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.926 8.036 0.249 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.044 10.941 3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.140 9.033 -0.554 1.00 0.00 H new ATOM 205 N THR A 31 -3.672 7.306 5.686 1.00 0.00 N ATOM 206 CA THR A 31 -2.661 6.418 6.244 1.00 0.00 C ATOM 207 C THR A 31 -2.963 4.962 5.876 1.00 0.00 C ATOM 208 O THR A 31 -3.996 4.665 5.281 1.00 0.00 O ATOM 209 CB THR A 31 -2.616 6.609 7.763 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.860 6.246 8.316 1.00 0.00 O ATOM 211 CG2 THR A 31 -2.309 8.054 8.158 1.00 0.00 C ATOM 0 H THR A 31 -4.399 7.559 6.356 1.00 0.00 H new ATOM 0 HA THR A 31 -1.684 6.663 5.826 1.00 0.00 H new ATOM 0 HB THR A 31 -1.816 5.976 8.146 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.717 5.781 9.166 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.288 8.138 9.245 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.339 8.344 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.080 8.712 7.758 1.00 0.00 H new ATOM 212 N LEU A 32 -2.076 4.032 6.250 1.00 0.00 N ATOM 213 CA LEU A 32 -2.233 2.620 5.921 1.00 0.00 C ATOM 214 C LEU A 32 -2.870 1.825 7.070 1.00 0.00 C ATOM 215 O LEU A 32 -2.794 0.595 7.077 1.00 0.00 O ATOM 216 CB LEU A 32 -0.877 2.015 5.525 1.00 0.00 C ATOM 217 CG LEU A 32 -0.109 2.783 4.434 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.110 1.966 3.991 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.962 3.030 3.189 1.00 0.00 C ATOM 0 H LEU A 32 -1.234 4.241 6.787 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.914 2.553 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.250 1.956 6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.040 0.993 5.181 1.00 0.00 H new ATOM 0 HG LEU A 32 0.179 3.741 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.652 2.511 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.766 1.799 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.780 1.006 3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.376 3.575 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.279 2.075 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.840 3.617 3.460 1.00 0.00 H new ATOM 220 N GLN A 33 -3.495 2.481 8.053 1.00 0.00 N ATOM 221 CA GLN A 33 -4.240 1.760 9.082 1.00 0.00 C ATOM 222 C GLN A 33 -5.484 1.144 8.448 1.00 0.00 C ATOM 223 O GLN A 33 -6.098 1.776 7.593 1.00 0.00 O ATOM 224 CB GLN A 33 -4.669 2.690 10.226 1.00 0.00 C ATOM 225 CG GLN A 33 -3.543 3.007 11.214 1.00 0.00 C ATOM 226 CD GLN A 33 -2.465 3.881 10.592 1.00 0.00 C ATOM 227 OE1 GLN A 33 -2.669 5.080 10.429 1.00 0.00 O ATOM 228 NE2 GLN A 33 -1.333 3.303 10.208 1.00 0.00 N ATOM 0 H GLN A 33 -3.499 3.496 8.155 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.592 0.989 9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.044 3.622 9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.496 2.230 10.766 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.958 3.511 12.087 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.097 2.077 11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.194 2.304 10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.602 3.858 9.763 1.00 0.00 H new ATOM 229 N LYS A 34 -5.901 -0.039 8.920 1.00 0.00 N ATOM 230 CA LYS A 34 -7.173 -0.654 8.552 1.00 0.00 C ATOM 231 C LYS A 34 -8.271 0.408 8.482 1.00 0.00 C ATOM 232 O LYS A 34 -8.836 0.662 7.426 1.00 0.00 O ATOM 233 CB LYS A 34 -7.519 -1.732 9.577 1.00 0.00 C ATOM 234 CG LYS A 34 -8.793 -2.487 9.177 1.00 0.00 C ATOM 235 CD LYS A 34 -9.091 -3.487 10.291 1.00 0.00 C ATOM 236 CE LYS A 34 -10.280 -4.428 10.027 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.510 -3.740 9.574 1.00 0.00 N ATOM 0 H LYS A 34 -5.354 -0.598 9.575 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.091 -1.114 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.690 -2.434 9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.656 -1.275 10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.626 -1.796 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.654 -3.000 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.201 -4.092 10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.283 -2.935 11.211 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.989 -5.161 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.501 -4.980 10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.319 -4.068 10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.398 -2.713 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.678 -3.955 8.570 1.00 0.00 H new ATOM 238 N ALA A 35 -8.530 1.054 9.619 1.00 0.00 N ATOM 239 CA ALA A 35 -9.545 2.091 9.752 1.00 0.00 C ATOM 240 C ALA A 35 -9.386 3.204 8.709 1.00 0.00 C ATOM 241 O ALA A 35 -10.378 3.716 8.188 1.00 0.00 O ATOM 242 CB ALA A 35 -9.487 2.673 11.166 1.00 0.00 C ATOM 0 H ALA A 35 -8.029 0.865 10.487 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.518 1.633 9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.245 3.450 11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.674 1.883 11.893 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.501 3.102 11.343 1.00 0.00 H new ATOM 243 N ALA A 36 -8.148 3.609 8.416 1.00 0.00 N ATOM 244 CA ALA A 36 -7.900 4.673 7.451 1.00 0.00 C ATOM 245 C ALA A 36 -8.271 4.185 6.054 1.00 0.00 C ATOM 246 O ALA A 36 -8.990 4.859 5.324 1.00 0.00 O ATOM 247 CB ALA A 36 -6.442 5.115 7.523 1.00 0.00 C ATOM 0 H ALA A 36 -7.306 3.215 8.834 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.518 5.539 7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.267 5.910 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.222 5.483 8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.794 4.269 7.297 1.00 0.00 H new ATOM 248 N ILE A 37 -7.841 2.968 5.723 1.00 0.00 N ATOM 249 CA ILE A 37 -8.189 2.317 4.475 1.00 0.00 C ATOM 250 C ILE A 37 -9.713 2.204 4.345 1.00 0.00 C ATOM 251 O ILE A 37 -10.283 2.645 3.355 1.00 0.00 O ATOM 252 CB ILE A 37 -7.422 0.979 4.371 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.233 1.062 3.407 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.291 -0.204 3.957 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.061 0.218 3.922 1.00 0.00 C ATOM 0 H ILE A 37 -7.236 2.407 6.323 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.877 2.911 3.616 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.068 0.803 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.534 0.712 2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.920 2.100 3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.679 -1.105 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.086 -0.345 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.730 -0.008 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.227 0.290 3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.749 0.586 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.373 -0.823 4.009 1.00 0.00 H new ATOM 256 N GLU A 38 -10.403 1.625 5.324 1.00 0.00 N ATOM 257 CA GLU A 38 -11.818 1.329 5.184 1.00 0.00 C ATOM 258 C GLU A 38 -12.658 2.591 4.957 1.00 0.00 C ATOM 259 O GLU A 38 -13.687 2.531 4.290 1.00 0.00 O ATOM 260 CB GLU A 38 -12.274 0.491 6.382 1.00 0.00 C ATOM 261 CG GLU A 38 -11.593 -0.883 6.272 1.00 0.00 C ATOM 262 CD GLU A 38 -11.929 -1.846 7.394 1.00 0.00 C ATOM 263 OE1 GLU A 38 -11.980 -1.424 8.572 1.00 0.00 O ATOM 264 OE2 GLU A 38 -11.998 -3.066 7.122 1.00 0.00 O ATOM 0 H GLU A 38 -10.001 1.353 6.221 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.977 0.737 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.002 0.980 7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.359 0.382 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.875 -1.339 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.513 -0.738 6.247 1.00 0.00 H new ATOM 265 N GLN A 39 -12.207 3.730 5.485 1.00 0.00 N ATOM 266 CA GLN A 39 -12.752 5.034 5.147 1.00 0.00 C ATOM 267 C GLN A 39 -12.321 5.476 3.744 1.00 0.00 C ATOM 268 O GLN A 39 -13.160 5.707 2.876 1.00 0.00 O ATOM 269 CB GLN A 39 -12.275 6.044 6.194 1.00 0.00 C ATOM 270 CG GLN A 39 -12.920 5.758 7.549 1.00 0.00 C ATOM 271 CD GLN A 39 -12.319 6.634 8.640 1.00 0.00 C ATOM 272 OE1 GLN A 39 -12.920 7.610 9.076 1.00 0.00 O ATOM 273 NE2 GLN A 39 -11.122 6.281 9.094 1.00 0.00 N ATOM 0 H GLN A 39 -11.447 3.767 6.164 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.841 4.977 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.190 5.997 6.285 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.525 7.055 5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.994 5.934 7.488 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.783 4.708 7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.651 5.463 8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.674 6.828 9.829 1.00 0.00 H new ATOM 274 N PHE A 40 -11.017 5.685 3.561 1.00 0.00 N ATOM 275 CA PHE A 40 -10.472 6.485 2.466 1.00 0.00 C ATOM 276 C PHE A 40 -10.217 5.682 1.185 1.00 0.00 C ATOM 277 O PHE A 40 -10.327 6.231 0.090 1.00 0.00 O ATOM 278 CB PHE A 40 -9.210 7.211 2.951 1.00 0.00 C ATOM 279 CG PHE A 40 -9.411 8.062 4.191 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.375 9.089 4.194 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.598 7.873 5.323 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.556 9.884 5.337 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.797 8.650 6.476 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.773 9.660 6.482 1.00 0.00 C ATOM 0 H PHE A 40 -10.302 5.298 4.177 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.227 7.219 2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.436 6.471 3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.839 7.846 2.146 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.977 9.265 3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.817 7.127 5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.298 10.669 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.200 8.471 7.358 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.921 10.263 7.365 1.00 0.00 H new ATOM 285 N LEU A 41 -9.874 4.395 1.294 1.00 0.00 N ATOM 286 CA LEU A 41 -9.622 3.528 0.159 1.00 0.00 C ATOM 287 C LEU A 41 -10.840 3.443 -0.763 1.00 0.00 C ATOM 288 O LEU A 41 -11.785 2.713 -0.474 1.00 0.00 O ATOM 289 CB LEU A 41 -9.227 2.125 0.657 1.00 0.00 C ATOM 290 CG LEU A 41 -8.265 1.375 -0.268 1.00 0.00 C ATOM 291 CD1 LEU A 41 -8.710 1.272 -1.723 1.00 0.00 C ATOM 292 CD2 LEU A 41 -6.891 2.041 -0.179 1.00 0.00 C ATOM 0 H LEU A 41 -9.764 3.926 2.193 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.801 3.952 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.768 2.218 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.131 1.529 0.782 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.239 0.343 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.961 0.724 -2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.663 0.746 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.824 2.272 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.191 1.520 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.971 3.083 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.531 1.996 0.849 1.00 0.00 H new ATOM 293 N ASP A 42 -10.747 4.122 -1.909 1.00 0.00 N ATOM 294 CA ASP A 42 -11.489 3.912 -3.152 1.00 0.00 C ATOM 295 C ASP A 42 -12.317 2.609 -3.161 1.00 0.00 C ATOM 296 O ASP A 42 -13.543 2.648 -3.064 1.00 0.00 O ATOM 297 CB ASP A 42 -10.434 3.980 -4.274 1.00 0.00 C ATOM 298 CG ASP A 42 -10.977 3.902 -5.688 1.00 0.00 C ATOM 299 OD1 ASP A 42 -12.139 3.500 -5.874 1.00 0.00 O ATOM 300 OD2 ASP A 42 -10.153 4.181 -6.591 1.00 0.00 O ATOM 0 H ASP A 42 -10.093 4.900 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.253 4.677 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.877 4.911 -4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.724 3.165 -4.131 1.00 0.00 H new ATOM 301 N GLY A 43 -11.641 1.455 -3.229 1.00 0.00 N ATOM 302 CA GLY A 43 -12.267 0.135 -3.299 1.00 0.00 C ATOM 303 C GLY A 43 -12.303 -0.657 -1.981 1.00 0.00 C ATOM 304 O GLY A 43 -12.569 -1.858 -2.015 1.00 0.00 O ATOM 0 H GLY A 43 -10.622 1.416 -3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.290 0.257 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.737 -0.459 -4.044 1.00 0.00 H new ATOM 305 N GLY A 44 -12.061 -0.038 -0.819 1.00 0.00 N ATOM 306 CA GLY A 44 -12.257 -0.669 0.475 1.00 0.00 C ATOM 307 C GLY A 44 -11.083 -1.565 0.862 1.00 0.00 C ATOM 308 O GLY A 44 -10.113 -1.706 0.117 1.00 0.00 O ATOM 0 H GLY A 44 -11.721 0.922 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.392 0.100 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.172 -1.261 0.454 1.00 0.00 H new ATOM 309 N PHE A 45 -11.167 -2.169 2.053 1.00 0.00 N ATOM 310 CA PHE A 45 -10.116 -3.049 2.556 1.00 0.00 C ATOM 311 C PHE A 45 -10.135 -4.391 1.822 1.00 0.00 C ATOM 312 O PHE A 45 -10.505 -5.414 2.397 1.00 0.00 O ATOM 313 CB PHE A 45 -10.175 -3.249 4.075 1.00 0.00 C ATOM 314 CG PHE A 45 -9.003 -3.996 4.702 1.00 0.00 C ATOM 315 CD1 PHE A 45 -7.681 -3.762 4.271 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.223 -4.796 5.839 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.596 -4.216 5.034 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.133 -5.320 6.558 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.821 -4.987 6.181 1.00 0.00 C ATOM 0 H PHE A 45 -11.959 -2.061 2.687 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.168 -2.551 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.249 -2.269 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.092 -3.788 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.503 -3.230 3.348 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.232 -5.008 6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.587 -3.971 4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.304 -5.977 7.398 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.986 -5.326 6.776 1.00 0.00 H new ATOM 320 N ASN A 46 -9.725 -4.389 0.554 1.00 0.00 N ATOM 321 CA ASN A 46 -9.740 -5.567 -0.312 1.00 0.00 C ATOM 322 C ASN A 46 -8.375 -5.681 -0.987 1.00 0.00 C ATOM 323 O ASN A 46 -7.759 -4.658 -1.280 1.00 0.00 O ATOM 324 CB ASN A 46 -10.881 -5.443 -1.328 1.00 0.00 C ATOM 325 CG ASN A 46 -12.248 -5.425 -0.650 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.661 -6.405 -0.040 1.00 0.00 O ATOM 327 ND2 ASN A 46 -12.968 -4.308 -0.722 1.00 0.00 N ATOM 0 H ASN A 46 -9.367 -3.553 0.092 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.919 -6.476 0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.752 -4.530 -1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.835 -6.276 -2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.879 -4.258 -0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.609 -3.502 -1.234 1.00 0.00 H new ATOM 328 N ILE A 47 -7.864 -6.898 -1.208 1.00 0.00 N ATOM 329 CA ILE A 47 -6.520 -7.093 -1.731 1.00 0.00 C ATOM 330 C ILE A 47 -6.480 -6.478 -3.124 1.00 0.00 C ATOM 331 O ILE A 47 -5.612 -5.665 -3.423 1.00 0.00 O ATOM 332 CB ILE A 47 -6.181 -8.596 -1.743 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.924 -9.143 -0.328 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.995 -8.902 -2.665 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.540 -8.787 0.231 1.00 0.00 C ATOM 0 H ILE A 47 -8.371 -7.765 -1.029 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.769 -6.608 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.058 -9.108 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.688 -8.756 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.032 -10.228 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.786 -9.972 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.237 -8.597 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.117 -8.355 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.433 -9.207 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.768 -9.198 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.435 -7.703 0.279 1.00 0.00 H new ATOM 336 N GLU A 48 -7.461 -6.845 -3.944 1.00 0.00 N ATOM 337 CA GLU A 48 -7.752 -6.280 -5.246 1.00 0.00 C ATOM 338 C GLU A 48 -7.587 -4.762 -5.206 1.00 0.00 C ATOM 339 O GLU A 48 -6.768 -4.194 -5.922 1.00 0.00 O ATOM 340 CB GLU A 48 -9.172 -6.660 -5.679 1.00 0.00 C ATOM 341 CG GLU A 48 -9.639 -8.063 -5.262 1.00 0.00 C ATOM 342 CD GLU A 48 -10.247 -8.129 -3.863 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.460 -8.298 -2.902 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.479 -7.955 -3.774 1.00 0.00 O ATOM 0 H GLU A 48 -8.110 -7.591 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.050 -6.684 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.867 -5.928 -5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.235 -6.583 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.375 -8.418 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.791 -8.746 -5.310 1.00 0.00 H new ATOM 345 N ALA A 49 -8.375 -4.125 -4.339 1.00 0.00 N ATOM 346 CA ALA A 49 -8.377 -2.680 -4.155 1.00 0.00 C ATOM 347 C ALA A 49 -6.985 -2.140 -3.806 1.00 0.00 C ATOM 348 O ALA A 49 -6.518 -1.193 -4.436 1.00 0.00 O ATOM 349 CB ALA A 49 -9.413 -2.283 -3.105 1.00 0.00 C ATOM 0 H ALA A 49 -9.040 -4.610 -3.736 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.655 -2.223 -5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.405 -1.201 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.403 -2.602 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.172 -2.763 -2.156 1.00 0.00 H new ATOM 350 N ILE A 50 -6.303 -2.725 -2.816 1.00 0.00 N ATOM 351 CA ILE A 50 -4.948 -2.323 -2.481 1.00 0.00 C ATOM 352 C ILE A 50 -4.055 -2.419 -3.724 1.00 0.00 C ATOM 353 O ILE A 50 -3.424 -1.436 -4.108 1.00 0.00 O ATOM 354 CB ILE A 50 -4.418 -3.168 -1.308 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.201 -2.985 0.007 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.939 -2.866 -1.080 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.176 -1.577 0.597 1.00 0.00 C ATOM 0 H ILE A 50 -6.674 -3.478 -2.237 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.941 -1.283 -2.154 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.558 -4.209 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.239 -3.269 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.800 -3.677 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.569 -3.466 -0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.375 -3.107 -1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.815 -1.808 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.756 -1.559 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.146 -1.290 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.607 -0.876 -0.117 1.00 0.00 H new ATOM 358 N VAL A 51 -3.995 -3.588 -4.365 1.00 0.00 N ATOM 359 CA VAL A 51 -3.164 -3.806 -5.528 1.00 0.00 C ATOM 360 C VAL A 51 -3.444 -2.716 -6.570 1.00 0.00 C ATOM 361 O VAL A 51 -2.532 -2.030 -7.018 1.00 0.00 O ATOM 362 CB VAL A 51 -3.427 -5.220 -6.082 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.666 -5.374 -7.387 1.00 0.00 C ATOM 364 CG2 VAL A 51 -2.926 -6.328 -5.150 1.00 0.00 C ATOM 0 H VAL A 51 -4.529 -4.409 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.109 -3.742 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.506 -5.320 -6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.840 -6.370 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.011 -4.625 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.600 -5.238 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.139 -7.301 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.851 -6.223 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.431 -6.250 -4.187 1.00 0.00 H new ATOM 365 N TYR A 52 -4.718 -2.534 -6.915 1.00 0.00 N ATOM 366 CA TYR A 52 -5.209 -1.478 -7.790 1.00 0.00 C ATOM 367 C TYR A 52 -4.657 -0.106 -7.379 1.00 0.00 C ATOM 368 O TYR A 52 -4.133 0.617 -8.223 1.00 0.00 O ATOM 369 CB TYR A 52 -6.745 -1.560 -7.805 1.00 0.00 C ATOM 370 CG TYR A 52 -7.530 -0.298 -8.098 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.895 0.028 -9.418 1.00 0.00 C ATOM 372 CD2 TYR A 52 -8.142 0.376 -7.025 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.807 1.072 -9.659 1.00 0.00 C ATOM 374 CE2 TYR A 52 -9.127 1.340 -7.268 1.00 0.00 C ATOM 375 CZ TYR A 52 -9.430 1.728 -8.583 1.00 0.00 C ATOM 376 OH TYR A 52 -10.261 2.782 -8.813 1.00 0.00 O ATOM 0 H TYR A 52 -5.463 -3.144 -6.578 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.850 -1.615 -8.810 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.031 -2.308 -8.545 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.067 -1.934 -6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.475 -0.524 -10.246 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.851 0.149 -6.010 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.029 1.370 -10.673 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.657 1.788 -6.440 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.343 3.318 -7.997 1.00 0.00 H new ATOM 377 N GLN A 53 -4.737 0.252 -6.094 1.00 0.00 N ATOM 378 CA GLN A 53 -4.224 1.525 -5.591 1.00 0.00 C ATOM 379 C GLN A 53 -2.749 1.670 -5.987 1.00 0.00 C ATOM 380 O GLN A 53 -2.363 2.645 -6.631 1.00 0.00 O ATOM 381 CB GLN A 53 -4.423 1.595 -4.064 1.00 0.00 C ATOM 382 CG GLN A 53 -4.037 2.939 -3.431 1.00 0.00 C ATOM 383 CD GLN A 53 -5.134 3.997 -3.497 1.00 0.00 C ATOM 384 OE1 GLN A 53 -6.168 3.808 -4.141 1.00 0.00 O ATOM 385 NE2 GLN A 53 -4.891 5.122 -2.832 1.00 0.00 N ATOM 0 H GLN A 53 -5.160 -0.335 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.772 2.357 -6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.469 1.388 -3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.834 0.806 -3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.769 2.773 -2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.147 3.322 -3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.019 5.230 -2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.576 5.877 -2.840 1.00 0.00 H new ATOM 386 N ILE A 54 -1.941 0.677 -5.609 1.00 0.00 N ATOM 387 CA ILE A 54 -0.511 0.626 -5.902 1.00 0.00 C ATOM 388 C ILE A 54 -0.250 0.667 -7.411 1.00 0.00 C ATOM 389 O ILE A 54 0.663 1.357 -7.863 1.00 0.00 O ATOM 390 CB ILE A 54 0.098 -0.620 -5.224 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.447 -0.370 -3.746 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.399 -1.077 -5.898 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.773 -0.332 -2.833 1.00 0.00 C ATOM 0 H ILE A 54 -2.272 -0.130 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.020 1.509 -5.493 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.675 -1.383 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.124 -1.153 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.984 0.575 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.786 -1.956 -5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.201 -1.325 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.135 -0.275 -5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.454 -0.152 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.441 0.469 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.298 -1.285 -2.888 1.00 0.00 H new ATOM 394 N GLU A 55 -1.020 -0.094 -8.188 1.00 0.00 N ATOM 395 CA GLU A 55 -0.827 -0.227 -9.619 1.00 0.00 C ATOM 396 C GLU A 55 -0.903 1.151 -10.276 1.00 0.00 C ATOM 397 O GLU A 55 0.121 1.675 -10.722 1.00 0.00 O ATOM 398 CB GLU A 55 -1.851 -1.217 -10.186 1.00 0.00 C ATOM 399 CG GLU A 55 -1.582 -1.576 -11.657 1.00 0.00 C ATOM 400 CD GLU A 55 -2.851 -1.544 -12.503 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.584 -0.536 -12.386 1.00 0.00 O ATOM 402 OE2 GLU A 55 -3.072 -2.522 -13.247 1.00 0.00 O ATOM 0 H GLU A 55 -1.804 -0.640 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 55 0.162 -0.631 -9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.840 -2.127 -9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.850 -0.790 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.854 -0.878 -12.071 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.137 -2.570 -11.711 1.00 0.00 H new ATOM 403 N ASN A 56 -2.105 1.728 -10.319 1.00 0.00 N ATOM 404 CA ASN A 56 -2.415 2.900 -11.128 1.00 0.00 C ATOM 405 C ASN A 56 -2.212 4.226 -10.393 1.00 0.00 C ATOM 406 O ASN A 56 -2.084 5.247 -11.062 1.00 0.00 O ATOM 407 CB ASN A 56 -3.819 2.799 -11.741 1.00 0.00 C ATOM 408 CG ASN A 56 -4.866 2.291 -10.761 1.00 0.00 C ATOM 409 OD1 ASN A 56 -5.425 3.047 -9.971 1.00 0.00 O ATOM 410 ND2 ASN A 56 -5.099 0.986 -10.782 1.00 0.00 N ATOM 0 H ASN A 56 -2.902 1.385 -9.782 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.688 2.904 -11.940 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.120 3.780 -12.108 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.785 2.133 -12.603 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.764 0.576 -10.126 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.614 0.392 -11.454 1.00 0.00 H new ATOM 411 N GLY A 57 -2.134 4.237 -9.056 1.00 0.00 N ATOM 412 CA GLY A 57 -1.776 5.439 -8.308 1.00 0.00 C ATOM 413 C GLY A 57 -2.907 6.474 -8.252 1.00 0.00 C ATOM 414 O GLY A 57 -3.673 6.639 -9.198 1.00 0.00 O ATOM 0 H GLY A 57 -2.316 3.421 -8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.499 5.158 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.897 5.895 -8.764 1.00 0.00 H new ATOM 415 N LYS A 58 -3.031 7.156 -7.109 1.00 0.00 N ATOM 416 CA LYS A 58 -4.063 8.149 -6.829 1.00 0.00 C ATOM 417 C LYS A 58 -3.435 9.485 -6.402 1.00 0.00 C ATOM 418 O LYS A 58 -2.325 9.824 -6.818 1.00 0.00 O ATOM 419 CB LYS A 58 -5.009 7.587 -5.763 1.00 0.00 C ATOM 420 CG LYS A 58 -5.562 6.187 -6.015 1.00 0.00 C ATOM 421 CD LYS A 58 -6.406 6.057 -7.286 1.00 0.00 C ATOM 422 CE LYS A 58 -6.753 4.586 -7.551 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.557 3.983 -6.470 1.00 0.00 N ATOM 0 H LYS A 58 -2.390 7.024 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.638 8.354 -7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.482 7.579 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.850 8.272 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.729 5.486 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.168 5.890 -5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.321 6.640 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.860 6.467 -8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.301 4.510 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.832 4.017 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.805 3.006 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.007 3.981 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.427 4.536 -6.334 1.00 0.00 H new ATOM 424 N GLY A 59 -4.160 10.256 -5.584 1.00 0.00 N ATOM 425 CA GLY A 59 -3.790 11.591 -5.149 1.00 0.00 C ATOM 426 C GLY A 59 -2.353 11.625 -4.640 1.00 0.00 C ATOM 427 O GLY A 59 -2.013 10.939 -3.689 1.00 0.00 O ATOM 0 H GLY A 59 -5.052 9.948 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.902 12.291 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.466 11.920 -4.360 1.00 0.00 H new ATOM 428 N ALA A 60 -1.507 12.415 -5.299 1.00 0.00 N ATOM 429 CA ALA A 60 -0.082 12.565 -5.049 1.00 0.00 C ATOM 430 C ALA A 60 0.631 11.251 -4.692 1.00 0.00 C ATOM 431 O ALA A 60 1.537 11.254 -3.860 1.00 0.00 O ATOM 432 CB ALA A 60 0.115 13.655 -3.996 1.00 0.00 C ATOM 0 H ALA A 60 -1.823 13.003 -6.070 1.00 0.00 H new ATOM 0 HA ALA A 60 0.398 12.869 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.179 13.780 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.298 14.594 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.395 13.369 -3.076 1.00 0.00 H new ATOM 433 N MET A 61 0.257 10.145 -5.349 1.00 0.00 N ATOM 434 CA MET A 61 0.895 8.847 -5.180 1.00 0.00 C ATOM 435 C MET A 61 1.357 8.347 -6.550 1.00 0.00 C ATOM 436 O MET A 61 0.530 8.249 -7.456 1.00 0.00 O ATOM 437 CB MET A 61 -0.095 7.872 -4.536 1.00 0.00 C ATOM 438 CG MET A 61 0.461 6.442 -4.514 1.00 0.00 C ATOM 439 SD MET A 61 -0.137 5.357 -3.194 1.00 0.00 S ATOM 440 CE MET A 61 0.019 3.731 -3.958 1.00 0.00 C ATOM 0 H MET A 61 -0.510 10.134 -6.022 1.00 0.00 H new ATOM 0 HA MET A 61 1.762 8.927 -4.525 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.315 8.194 -3.518 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.036 7.890 -5.086 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.231 5.973 -5.471 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.547 6.500 -4.441 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.315 2.966 -3.257 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.595 3.691 -4.858 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.061 3.552 -4.222 1.00 0.00 H new ATOM 441 N PRO A 62 2.648 8.027 -6.737 1.00 0.00 N ATOM 442 CA PRO A 62 3.120 7.497 -8.000 1.00 0.00 C ATOM 443 C PRO A 62 2.511 6.117 -8.243 1.00 0.00 C ATOM 444 O PRO A 62 2.411 5.299 -7.330 1.00 0.00 O ATOM 445 CB PRO A 62 4.646 7.440 -7.890 1.00 0.00 C ATOM 446 CG PRO A 62 4.880 7.283 -6.388 1.00 0.00 C ATOM 447 CD PRO A 62 3.738 8.094 -5.775 1.00 0.00 C ATOM 0 HA PRO A 62 2.826 8.117 -8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.060 6.603 -8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.112 8.346 -8.278 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.843 6.238 -6.081 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.855 7.669 -6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.437 7.681 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.041 9.126 -5.598 1.00 0.00 H new ATOM 448 N ALA A 63 2.115 5.872 -9.491 1.00 0.00 N ATOM 449 CA ALA A 63 1.658 4.579 -9.964 1.00 0.00 C ATOM 450 C ALA A 63 2.860 3.641 -10.060 1.00 0.00 C ATOM 451 O ALA A 63 3.944 4.084 -10.454 1.00 0.00 O ATOM 452 CB ALA A 63 1.029 4.803 -11.341 1.00 0.00 C ATOM 0 H ALA A 63 2.105 6.590 -10.215 1.00 0.00 H new ATOM 0 HA ALA A 63 0.927 4.131 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.670 3.853 -11.736 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.193 5.497 -11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.775 5.219 -12.018 1.00 0.00 H new ATOM 453 N TRP A 64 2.698 2.358 -9.730 1.00 0.00 N ATOM 454 CA TRP A 64 3.801 1.405 -9.726 1.00 0.00 C ATOM 455 C TRP A 64 3.673 0.397 -10.865 1.00 0.00 C ATOM 456 O TRP A 64 4.522 -0.492 -10.986 1.00 0.00 O ATOM 457 CB TRP A 64 3.905 0.766 -8.343 1.00 0.00 C ATOM 458 CG TRP A 64 4.321 1.738 -7.281 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.521 2.514 -6.514 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.678 2.144 -6.969 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.299 3.315 -5.700 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.646 3.131 -5.944 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.935 1.790 -7.489 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.818 3.705 -5.429 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.114 2.390 -7.015 1.00 0.00 C ATOM 466 CH2 TRP A 64 8.059 3.331 -5.971 1.00 0.00 C ATOM 0 H TRP A 64 1.801 1.955 -9.460 1.00 0.00 H new ATOM 0 HA TRP A 64 4.741 1.922 -9.917 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.941 0.333 -8.075 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.623 -0.053 -8.380 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.441 2.508 -6.535 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.925 3.962 -5.005 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.996 1.043 -8.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.767 4.425 -4.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.065 2.128 -7.454 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.970 3.766 -5.586 1.00 0.00 H new ATOM 467 N ASP A 65 2.665 0.570 -11.732 1.00 0.00 N ATOM 468 CA ASP A 65 2.481 -0.202 -12.931 1.00 0.00 C ATOM 469 C ASP A 65 3.810 -0.392 -13.671 1.00 0.00 C ATOM 470 O ASP A 65 4.512 0.567 -13.986 1.00 0.00 O ATOM 471 CB ASP A 65 1.403 0.463 -13.798 1.00 0.00 C ATOM 472 CG ASP A 65 1.816 1.805 -14.382 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.644 2.816 -13.671 1.00 0.00 O ATOM 474 OD2 ASP A 65 2.364 1.843 -15.506 1.00 0.00 O ATOM 0 H ASP A 65 1.943 1.277 -11.598 1.00 0.00 H new ATOM 0 HA ASP A 65 2.135 -1.204 -12.678 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.141 -0.211 -14.614 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.504 0.601 -13.198 1.00 0.00 H new ATOM 475 N GLY A 66 4.211 -1.650 -13.852 1.00 0.00 N ATOM 476 CA GLY A 66 5.416 -2.026 -14.580 1.00 0.00 C ATOM 477 C GLY A 66 6.738 -1.635 -13.906 1.00 0.00 C ATOM 478 O GLY A 66 7.795 -2.007 -14.409 1.00 0.00 O ATOM 0 H GLY A 66 3.694 -2.451 -13.488 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.409 -3.106 -14.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.382 -1.568 -15.568 1.00 0.00 H new ATOM 479 N ARG A 67 6.715 -0.890 -12.794 1.00 0.00 N ATOM 480 CA ARG A 67 7.917 -0.549 -12.039 1.00 0.00 C ATOM 481 C ARG A 67 8.231 -1.671 -11.059 1.00 0.00 C ATOM 482 O ARG A 67 9.396 -2.014 -10.873 1.00 0.00 O ATOM 483 CB ARG A 67 7.727 0.798 -11.330 1.00 0.00 C ATOM 484 CG ARG A 67 7.777 1.927 -12.374 1.00 0.00 C ATOM 485 CD ARG A 67 6.589 2.887 -12.268 1.00 0.00 C ATOM 486 NE ARG A 67 6.222 3.388 -13.603 1.00 0.00 N ATOM 487 CZ ARG A 67 4.943 3.465 -14.003 1.00 0.00 C ATOM 488 NH1 ARG A 67 4.006 3.766 -13.107 1.00 0.00 N ATOM 489 NH2 ARG A 67 4.614 3.214 -15.272 1.00 0.00 N ATOM 0 H ARG A 67 5.858 -0.508 -12.395 1.00 0.00 H new ATOM 0 HA ARG A 67 8.766 -0.443 -12.714 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.773 0.815 -10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.506 0.943 -10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.703 2.488 -12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.798 1.491 -13.373 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.738 2.377 -11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.843 3.722 -11.615 1.00 0.00 H new ATOM 0 HE ARG A 67 6.960 3.685 -14.241 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.265 3.934 -12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.029 3.829 -13.393 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.337 2.961 -15.946 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.640 3.275 -15.568 1.00 0.00 H new ATOM 490 N LEU A 68 7.187 -2.241 -10.457 1.00 0.00 N ATOM 491 CA LEU A 68 7.277 -3.464 -9.674 1.00 0.00 C ATOM 492 C LEU A 68 6.729 -4.613 -10.533 1.00 0.00 C ATOM 493 O LEU A 68 5.879 -4.373 -11.393 1.00 0.00 O ATOM 494 CB LEU A 68 6.473 -3.281 -8.378 1.00 0.00 C ATOM 495 CG LEU A 68 6.929 -2.099 -7.505 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.982 -1.961 -6.308 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.363 -2.235 -6.988 1.00 0.00 C ATOM 0 H LEU A 68 6.243 -1.857 -10.503 1.00 0.00 H new ATOM 0 HA LEU A 68 8.306 -3.695 -9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.422 -3.143 -8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.541 -4.197 -7.791 1.00 0.00 H new ATOM 0 HG LEU A 68 6.903 -1.214 -8.141 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.301 -1.125 -5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.968 -1.782 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.003 -2.879 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.615 -1.366 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.447 -3.137 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.050 -2.299 -7.832 1.00 0.00 H new ATOM 498 N ASP A 69 7.205 -5.845 -10.316 1.00 0.00 N ATOM 499 CA ASP A 69 6.636 -7.039 -10.951 1.00 0.00 C ATOM 500 C ASP A 69 5.233 -7.297 -10.408 1.00 0.00 C ATOM 501 O ASP A 69 4.823 -6.742 -9.395 1.00 0.00 O ATOM 502 CB ASP A 69 7.537 -8.261 -10.721 1.00 0.00 C ATOM 503 CG ASP A 69 7.156 -9.525 -11.476 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.202 -10.183 -11.003 1.00 0.00 O ATOM 505 OD2 ASP A 69 7.789 -9.791 -12.518 1.00 0.00 O ATOM 0 H ASP A 69 7.992 -6.042 -9.698 1.00 0.00 H new ATOM 0 HA ASP A 69 6.573 -6.866 -12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.557 -7.992 -10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.543 -8.487 -9.655 1.00 0.00 H new ATOM 506 N GLU A 70 4.514 -8.196 -11.060 1.00 0.00 N ATOM 507 CA GLU A 70 3.183 -8.616 -10.654 1.00 0.00 C ATOM 508 C GLU A 70 3.248 -9.270 -9.274 1.00 0.00 C ATOM 509 O GLU A 70 2.438 -8.967 -8.397 1.00 0.00 O ATOM 510 CB GLU A 70 2.594 -9.583 -11.691 1.00 0.00 C ATOM 511 CG GLU A 70 2.380 -8.912 -13.057 1.00 0.00 C ATOM 512 CD GLU A 70 1.691 -9.838 -14.057 1.00 0.00 C ATOM 513 OE1 GLU A 70 0.882 -10.676 -13.602 1.00 0.00 O ATOM 514 OE2 GLU A 70 1.973 -9.682 -15.264 1.00 0.00 O ATOM 0 H GLU A 70 4.846 -8.664 -11.903 1.00 0.00 H new ATOM 0 HA GLU A 70 2.531 -7.744 -10.595 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.261 -10.437 -11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.643 -9.970 -11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.780 -8.011 -12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.343 -8.598 -13.460 1.00 0.00 H new ATOM 515 N ASP A 71 4.215 -10.169 -9.072 1.00 0.00 N ATOM 516 CA ASP A 71 4.329 -10.894 -7.812 1.00 0.00 C ATOM 517 C ASP A 71 4.710 -9.922 -6.697 1.00 0.00 C ATOM 518 O ASP A 71 4.141 -9.922 -5.610 1.00 0.00 O ATOM 519 CB ASP A 71 5.362 -12.015 -7.938 1.00 0.00 C ATOM 520 CG ASP A 71 5.121 -13.068 -6.876 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.675 -12.982 -5.756 1.00 0.00 O ATOM 522 OD2 ASP A 71 4.376 -14.031 -7.160 1.00 0.00 O ATOM 0 H ASP A 71 4.925 -10.409 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 71 3.369 -11.348 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.301 -12.466 -8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.367 -11.607 -7.835 1.00 0.00 H new ATOM 523 N GLU A 72 5.671 -9.057 -7.012 1.00 0.00 N ATOM 524 CA GLU A 72 6.158 -7.990 -6.172 1.00 0.00 C ATOM 525 C GLU A 72 4.998 -7.097 -5.705 1.00 0.00 C ATOM 526 O GLU A 72 4.730 -7.004 -4.507 1.00 0.00 O ATOM 527 CB GLU A 72 7.204 -7.264 -7.019 1.00 0.00 C ATOM 528 CG GLU A 72 8.021 -6.278 -6.227 1.00 0.00 C ATOM 529 CD GLU A 72 9.143 -5.672 -7.058 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.015 -5.730 -8.300 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.103 -5.168 -6.438 1.00 0.00 O ATOM 0 H GLU A 72 6.151 -9.092 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 72 6.613 -8.342 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.870 -7.998 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.704 -6.741 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.373 -5.483 -5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.444 -6.775 -5.354 1.00 0.00 H new ATOM 532 N ILE A 73 4.281 -6.486 -6.652 1.00 0.00 N ATOM 533 CA ILE A 73 3.028 -5.758 -6.432 1.00 0.00 C ATOM 534 C ILE A 73 2.121 -6.556 -5.486 1.00 0.00 C ATOM 535 O ILE A 73 1.694 -6.067 -4.440 1.00 0.00 O ATOM 536 CB ILE A 73 2.313 -5.522 -7.782 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.032 -4.537 -8.713 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.863 -5.078 -7.602 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.724 -3.056 -8.486 1.00 0.00 C ATOM 0 H ILE A 73 4.568 -6.485 -7.631 1.00 0.00 H new ATOM 0 HA ILE A 73 3.250 -4.793 -5.977 1.00 0.00 H new ATOM 0 HB ILE A 73 2.336 -6.500 -8.264 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.107 -4.685 -8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.776 -4.788 -9.742 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.405 -4.926 -8.579 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.312 -5.846 -7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.835 -4.145 -7.039 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.287 -2.454 -9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.657 -2.881 -8.625 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.008 -2.777 -7.472 1.00 0.00 H new ATOM 540 N ALA A 74 1.803 -7.795 -5.864 1.00 0.00 N ATOM 541 CA ALA A 74 0.934 -8.642 -5.059 1.00 0.00 C ATOM 542 C ALA A 74 1.475 -8.811 -3.633 1.00 0.00 C ATOM 543 O ALA A 74 0.700 -8.832 -2.677 1.00 0.00 O ATOM 544 CB ALA A 74 0.728 -9.992 -5.749 1.00 0.00 C ATOM 0 H ALA A 74 2.137 -8.231 -6.724 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.036 -8.153 -4.970 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.077 -10.617 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.269 -9.835 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.691 -10.487 -5.876 1.00 0.00 H new ATOM 545 N GLY A 75 2.797 -8.905 -3.479 1.00 0.00 N ATOM 546 CA GLY A 75 3.440 -9.118 -2.200 1.00 0.00 C ATOM 547 C GLY A 75 3.292 -7.867 -1.358 1.00 0.00 C ATOM 548 O GLY A 75 2.899 -7.943 -0.199 1.00 0.00 O ATOM 0 H GLY A 75 3.453 -8.833 -4.257 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.991 -9.970 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.495 -9.352 -2.343 1.00 0.00 H new ATOM 549 N VAL A 76 3.582 -6.701 -1.940 1.00 0.00 N ATOM 550 CA VAL A 76 3.465 -5.440 -1.229 1.00 0.00 C ATOM 551 C VAL A 76 2.017 -5.223 -0.789 1.00 0.00 C ATOM 552 O VAL A 76 1.777 -4.863 0.364 1.00 0.00 O ATOM 553 CB VAL A 76 4.094 -4.289 -2.039 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.129 -3.462 -2.892 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.752 -3.287 -1.081 1.00 0.00 C ATOM 0 H VAL A 76 3.900 -6.611 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 76 4.046 -5.466 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 76 4.786 -4.796 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.683 -2.683 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.639 -4.110 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.377 -3.003 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.197 -2.474 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.000 -2.884 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.528 -3.791 -0.504 1.00 0.00 H new ATOM 556 N ALA A 77 1.045 -5.494 -1.671 1.00 0.00 N ATOM 557 CA ALA A 77 -0.354 -5.437 -1.283 1.00 0.00 C ATOM 558 C ALA A 77 -0.655 -6.387 -0.121 1.00 0.00 C ATOM 559 O ALA A 77 -1.158 -5.949 0.911 1.00 0.00 O ATOM 560 CB ALA A 77 -1.239 -5.740 -2.486 1.00 0.00 C ATOM 0 H ALA A 77 1.208 -5.751 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.572 -4.428 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.286 -5.695 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.053 -5.005 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.011 -6.737 -2.863 1.00 0.00 H new ATOM 561 N ALA A 78 -0.354 -7.681 -0.276 1.00 0.00 N ATOM 562 CA ALA A 78 -0.579 -8.684 0.762 1.00 0.00 C ATOM 563 C ALA A 78 0.041 -8.261 2.098 1.00 0.00 C ATOM 564 O ALA A 78 -0.606 -8.327 3.140 1.00 0.00 O ATOM 565 CB ALA A 78 -0.025 -10.035 0.302 1.00 0.00 C ATOM 0 H ALA A 78 0.054 -8.060 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.653 -8.777 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.194 -10.781 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.530 -10.343 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.045 -9.944 0.113 1.00 0.00 H new ATOM 566 N TYR A 79 1.294 -7.812 2.068 1.00 0.00 N ATOM 567 CA TYR A 79 2.020 -7.326 3.229 1.00 0.00 C ATOM 568 C TYR A 79 1.283 -6.173 3.889 1.00 0.00 C ATOM 569 O TYR A 79 0.981 -6.244 5.075 1.00 0.00 O ATOM 570 CB TYR A 79 3.412 -6.872 2.784 1.00 0.00 C ATOM 571 CG TYR A 79 4.202 -6.125 3.838 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.635 -6.794 4.996 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.354 -4.730 3.735 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.199 -6.065 6.057 1.00 0.00 C ATOM 575 CE2 TYR A 79 4.911 -4.003 4.799 1.00 0.00 C ATOM 576 CZ TYR A 79 5.344 -4.674 5.952 1.00 0.00 C ATOM 577 OH TYR A 79 5.835 -3.967 7.008 1.00 0.00 O ATOM 0 H TYR A 79 1.843 -7.777 1.209 1.00 0.00 H new ATOM 0 HA TYR A 79 2.104 -8.130 3.960 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.983 -7.747 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.308 -6.233 1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.534 -7.867 5.070 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.042 -4.218 2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.521 -6.576 6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.006 -2.929 4.730 1.00 0.00 H new ATOM 0 HH TYR A 79 5.874 -3.016 6.775 1.00 0.00 H new ATOM 578 N VAL A 80 1.003 -5.108 3.137 1.00 0.00 N ATOM 579 CA VAL A 80 0.223 -3.985 3.620 1.00 0.00 C ATOM 580 C VAL A 80 -1.074 -4.502 4.254 1.00 0.00 C ATOM 581 O VAL A 80 -1.440 -4.063 5.342 1.00 0.00 O ATOM 582 CB VAL A 80 0.004 -3.014 2.450 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.197 -2.106 2.684 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.259 -2.154 2.251 1.00 0.00 C ATOM 0 H VAL A 80 1.316 -5.007 2.172 1.00 0.00 H new ATOM 0 HA VAL A 80 0.741 -3.433 4.404 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.192 -3.609 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.317 -1.435 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.095 -2.713 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.039 -1.520 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.101 -1.466 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.459 -1.586 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.110 -2.798 2.031 1.00 0.00 H new ATOM 585 N TYR A 81 -1.754 -5.447 3.601 1.00 0.00 N ATOM 586 CA TYR A 81 -2.977 -6.034 4.123 1.00 0.00 C ATOM 587 C TYR A 81 -2.738 -6.679 5.488 1.00 0.00 C ATOM 588 O TYR A 81 -3.454 -6.373 6.437 1.00 0.00 O ATOM 589 CB TYR A 81 -3.580 -7.023 3.120 1.00 0.00 C ATOM 590 CG TYR A 81 -5.081 -7.184 3.258 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.623 -8.071 4.207 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.938 -6.430 2.437 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.019 -8.178 4.351 1.00 0.00 C ATOM 594 CE2 TYR A 81 -7.329 -6.553 2.571 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.872 -7.395 3.555 1.00 0.00 C ATOM 596 OH TYR A 81 -9.222 -7.483 3.722 1.00 0.00 O ATOM 0 H TYR A 81 -1.468 -5.822 2.697 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.704 -5.235 4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.350 -6.688 2.109 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.105 -7.995 3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.968 -8.669 4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.525 -5.755 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.435 -8.863 5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.984 -5.999 1.915 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.655 -6.710 3.303 1.00 0.00 H new ATOM 597 N ASP A 82 -1.739 -7.559 5.603 1.00 0.00 N ATOM 598 CA ASP A 82 -1.402 -8.234 6.855 1.00 0.00 C ATOM 599 C ASP A 82 -1.077 -7.225 7.960 1.00 0.00 C ATOM 600 O ASP A 82 -1.618 -7.269 9.072 1.00 0.00 O ATOM 601 CB ASP A 82 -0.174 -9.140 6.668 1.00 0.00 C ATOM 602 CG ASP A 82 0.160 -9.742 8.025 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.726 -10.370 8.637 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.201 -9.369 8.606 1.00 0.00 O ATOM 0 H ASP A 82 -1.138 -7.823 4.822 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.271 -8.826 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.384 -9.925 5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.670 -8.567 6.284 1.00 0.00 H new ATOM 605 N GLN A 83 -0.112 -6.366 7.639 1.00 0.00 N ATOM 606 CA GLN A 83 0.456 -5.316 8.454 1.00 0.00 C ATOM 607 C GLN A 83 -0.676 -4.439 9.013 1.00 0.00 C ATOM 608 O GLN A 83 -0.764 -4.235 10.224 1.00 0.00 O ATOM 609 CB GLN A 83 1.471 -4.591 7.554 1.00 0.00 C ATOM 610 CG GLN A 83 2.172 -3.396 8.153 1.00 0.00 C ATOM 611 CD GLN A 83 2.987 -3.676 9.395 1.00 0.00 C ATOM 612 OE1 GLN A 83 2.546 -3.362 10.486 1.00 0.00 O ATOM 613 NE2 GLN A 83 4.188 -4.223 9.259 1.00 0.00 N ATOM 0 H GLN A 83 0.325 -6.397 6.718 1.00 0.00 H new ATOM 0 HA GLN A 83 0.985 -5.671 9.338 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.229 -5.311 7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.954 -4.266 6.651 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.829 -2.966 7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.424 -2.640 8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.531 -4.476 8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.768 -4.391 10.081 1.00 0.00 H new ATOM 614 N ALA A 84 -1.574 -3.977 8.136 1.00 0.00 N ATOM 615 CA ALA A 84 -2.738 -3.178 8.491 1.00 0.00 C ATOM 616 C ALA A 84 -3.758 -3.980 9.301 1.00 0.00 C ATOM 617 O ALA A 84 -4.186 -3.527 10.360 1.00 0.00 O ATOM 618 CB ALA A 84 -3.384 -2.611 7.223 1.00 0.00 C ATOM 0 H ALA A 84 -1.504 -4.157 7.134 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.401 -2.357 9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.255 -2.014 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.664 -1.985 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.694 -3.431 6.575 1.00 0.00 H new ATOM 619 N ALA A 85 -4.157 -5.160 8.815 1.00 0.00 N ATOM 620 CA ALA A 85 -5.157 -6.020 9.449 1.00 0.00 C ATOM 621 C ALA A 85 -4.799 -6.260 10.908 1.00 0.00 C ATOM 622 O ALA A 85 -5.632 -6.108 11.797 1.00 0.00 O ATOM 623 CB ALA A 85 -5.255 -7.371 8.727 1.00 0.00 C ATOM 0 H ALA A 85 -3.784 -5.551 7.950 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.120 -5.513 9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.005 -7.992 9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.541 -7.208 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.288 -7.873 8.762 1.00 0.00 H new ATOM 624 N GLY A 86 -3.541 -6.636 11.144 1.00 0.00 N ATOM 625 CA GLY A 86 -3.041 -6.894 12.481 1.00 0.00 C ATOM 626 C GLY A 86 -2.874 -5.628 13.322 1.00 0.00 C ATOM 627 O GLY A 86 -2.615 -5.742 14.515 1.00 0.00 O ATOM 0 H GLY A 86 -2.846 -6.768 10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.724 -7.573 12.992 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.080 -7.403 12.409 1.00 0.00 H new ATOM 628 N ASN A 87 -2.923 -4.447 12.693 1.00 0.00 N ATOM 629 CA ASN A 87 -2.160 -3.273 13.096 1.00 0.00 C ATOM 630 C ASN A 87 -0.851 -3.682 13.768 1.00 0.00 C ATOM 631 O ASN A 87 -0.671 -3.527 14.976 1.00 0.00 O ATOM 632 CB ASN A 87 -2.970 -2.258 13.912 1.00 0.00 C ATOM 633 CG ASN A 87 -2.188 -0.943 13.990 1.00 0.00 C ATOM 634 OD1 ASN A 87 -2.478 -0.004 13.252 1.00 0.00 O ATOM 635 ND2 ASN A 87 -1.161 -0.903 14.831 1.00 0.00 N ATOM 0 H ASN A 87 -3.508 -4.284 11.874 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.905 -2.733 12.184 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.942 -2.091 13.447 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.158 -2.644 14.914 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.576 -0.069 14.883 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.957 -1.706 15.425 1.00 0.00 H new ATOM 636 N LYS A 88 0.077 -4.187 12.957 1.00 0.00 N ATOM 637 CA LYS A 88 1.465 -4.292 13.370 1.00 0.00 C ATOM 638 C LYS A 88 2.157 -2.913 13.266 1.00 0.00 C ATOM 639 O LYS A 88 3.305 -2.801 13.690 1.00 0.00 O ATOM 640 CB LYS A 88 2.169 -5.379 12.538 1.00 0.00 C ATOM 641 CG LYS A 88 2.120 -6.805 13.111 1.00 0.00 C ATOM 642 CD LYS A 88 0.842 -7.602 12.801 1.00 0.00 C ATOM 643 CE LYS A 88 0.589 -7.639 11.284 1.00 0.00 C ATOM 644 NZ LYS A 88 -0.164 -8.817 10.804 1.00 0.00 N ATOM 0 H LYS A 88 -0.112 -4.527 12.014 1.00 0.00 H new ATOM 0 HA LYS A 88 1.525 -4.594 14.416 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.723 -5.393 11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.214 -5.094 12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.975 -7.361 12.727 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.237 -6.747 14.193 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.937 -8.618 13.185 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.010 -7.148 13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.045 -6.738 11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.550 -7.607 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.465 -9.426 10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.527 -9.352 11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.960 -8.503 10.213 1.00 0.00 H new ATOM 645 N TRP A 89 1.484 -1.893 12.704 1.00 0.00 N ATOM 646 CA TRP A 89 2.005 -0.535 12.589 1.00 0.00 C ATOM 647 C TRP A 89 2.255 0.060 13.979 1.00 0.00 C ATOM 648 O TRP A 89 3.415 0.443 14.245 1.00 0.00 O ATOM 649 CB TRP A 89 0.995 0.365 11.861 1.00 0.00 C ATOM 650 CG TRP A 89 0.595 0.023 10.457 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.680 -0.064 10.019 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.433 -0.172 9.278 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.689 -0.236 8.653 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.585 -0.300 8.135 1.00 0.00 C ATOM 655 CE3 TRP A 89 2.822 -0.293 9.054 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.088 -0.491 6.837 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.326 -0.547 7.768 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.476 -0.557 6.648 1.00 0.00 C ATOM 659 OXT TRP A 89 1.258 0.168 14.732 1.00 0.00 O ATOM 0 H TRP A 89 0.548 -2.000 12.313 1.00 0.00 H new ATOM 0 HA TRP A 89 2.938 -0.583 12.028 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.087 0.395 12.464 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.403 1.376 11.850 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.558 -0.007 10.645 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.538 -0.307 8.092 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.506 -0.189 9.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.416 -0.586 5.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.381 -0.737 7.638 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.888 -0.615 5.651 1.00 0.00 H new TER 660 TRP A 89 HETATM 661 FE HEM A 90 0.939 5.292 -1.047 1.00 0.00 FE HETATM 662 CHA HEM A 90 -2.382 6.090 -0.440 1.00 0.00 C HETATM 663 CHB HEM A 90 0.310 1.995 -0.371 1.00 0.00 C HETATM 664 CHC HEM A 90 4.087 4.522 -2.229 1.00 0.00 C HETATM 665 CHD HEM A 90 1.661 8.706 -1.354 1.00 0.00 C HETATM 666 NA HEM A 90 -0.736 4.230 -0.535 1.00 0.00 N HETATM 667 C1A HEM A 90 -1.971 4.763 -0.325 1.00 0.00 C HETATM 668 C2A HEM A 90 -2.826 3.694 0.118 1.00 0.00 C HETATM 669 C3A HEM A 90 -2.096 2.533 0.098 1.00 0.00 C HETATM 670 C4A HEM A 90 -0.748 2.891 -0.274 1.00 0.00 C HETATM 671 CMA HEM A 90 -2.653 1.156 0.373 1.00 0.00 C HETATM 672 CAA HEM A 90 -4.245 3.838 0.587 1.00 0.00 C HETATM 673 CBA HEM A 90 -4.410 4.681 1.853 1.00 0.00 C HETATM 674 CGA HEM A 90 -5.779 5.334 1.833 1.00 0.00 C HETATM 675 O1A HEM A 90 -6.634 4.912 2.637 1.00 0.00 O HETATM 676 O2A HEM A 90 -5.948 6.215 0.965 1.00 0.00 O HETATM 677 NB HEM A 90 2.007 3.559 -1.270 1.00 0.00 N HETATM 678 C1B HEM A 90 1.552 2.326 -0.913 1.00 0.00 C HETATM 679 C2B HEM A 90 2.596 1.376 -1.217 1.00 0.00 C HETATM 680 C3B HEM A 90 3.617 2.072 -1.831 1.00 0.00 C HETATM 681 C4B HEM A 90 3.260 3.474 -1.805 1.00 0.00 C HETATM 682 CMB HEM A 90 2.577 -0.105 -0.911 1.00 0.00 C HETATM 683 CAB HEM A 90 4.907 1.489 -2.372 1.00 0.00 C HETATM 684 CBB HEM A 90 4.714 0.606 -3.606 1.00 0.00 C HETATM 685 NC HEM A 90 2.582 6.412 -1.669 1.00 0.00 N HETATM 686 C1C HEM A 90 3.759 5.870 -2.082 1.00 0.00 C HETATM 687 C2C HEM A 90 4.680 6.956 -2.319 1.00 0.00 C HETATM 688 C3C HEM A 90 4.035 8.127 -1.982 1.00 0.00 C HETATM 689 C4C HEM A 90 2.669 7.780 -1.650 1.00 0.00 C HETATM 690 CMC HEM A 90 6.126 6.794 -2.723 1.00 0.00 C HETATM 691 CAC HEM A 90 4.674 9.490 -1.782 1.00 0.00 C HETATM 692 CBC HEM A 90 5.091 10.192 -3.076 1.00 0.00 C HETATM 693 ND HEM A 90 -0.164 7.087 -0.913 1.00 0.00 N HETATM 694 C1D HEM A 90 0.341 8.343 -1.084 1.00 0.00 C HETATM 695 C2D HEM A 90 -0.766 9.268 -0.990 1.00 0.00 C HETATM 696 C3D HEM A 90 -1.911 8.514 -0.843 1.00 0.00 C HETATM 697 C4D HEM A 90 -1.503 7.142 -0.695 1.00 0.00 C HETATM 698 CMD HEM A 90 -0.685 10.776 -1.029 1.00 0.00 C HETATM 699 CAD HEM A 90 -3.336 8.935 -1.102 1.00 0.00 C HETATM 700 CBD HEM A 90 -3.807 8.411 -2.463 1.00 0.00 C HETATM 701 CGD HEM A 90 -5.306 8.545 -2.684 1.00 0.00 C HETATM 702 O1D HEM A 90 -5.703 9.566 -3.285 1.00 0.00 O HETATM 703 O2D HEM A 90 -6.013 7.577 -2.326 1.00 0.00 O HETATM 0 HMA1 HEM A 90 -3.462 1.229 1.100 1.00 0.00 H new HETATM 0 HMA2 HEM A 90 -1.864 0.517 0.771 1.00 0.00 H new HETATM 0 HMA3 HEM A 90 -3.035 0.726 -0.553 1.00 0.00 H new HETATM 0 HMB1 HEM A 90 3.163 -0.639 -1.659 1.00 0.00 H new HETATM 0 HMB2 HEM A 90 1.549 -0.467 -0.929 1.00 0.00 H new HETATM 0 HMB3 HEM A 90 3.005 -0.278 0.076 1.00 0.00 H new HETATM 0 HMC1 HEM A 90 6.433 7.648 -3.327 1.00 0.00 H new HETATM 0 HMC2 HEM A 90 6.241 5.879 -3.304 1.00 0.00 H new HETATM 0 HMC3 HEM A 90 6.749 6.738 -1.830 1.00 0.00 H new HETATM 0 HMD1 HEM A 90 -1.602 11.179 -1.460 1.00 0.00 H new HETATM 0 HMD2 HEM A 90 0.166 11.079 -1.639 1.00 0.00 H new HETATM 0 HMD3 HEM A 90 -0.561 11.160 -0.016 1.00 0.00 H new HETATM 0 HBB1 HEM A 90 5.575 0.134 -4.079 1.00 0.00 H new HETATM 0 HBB2 HEM A 90 3.715 0.448 -4.013 1.00 0.00 H new HETATM 0 HBC1 HEM A 90 5.559 11.176 -3.036 1.00 0.00 H new HETATM 0 HBC2 HEM A 90 4.920 9.708 -4.038 1.00 0.00 H new HETATM 0 HBA1 HEM A 90 -3.630 5.441 1.904 1.00 0.00 H new HETATM 0 HBA2 HEM A 90 -4.304 4.055 2.739 1.00 0.00 H new HETATM 0 HAA1 HEM A 90 -4.657 2.846 0.770 1.00 0.00 H new HETATM 0 HAA2 HEM A 90 -4.835 4.286 -0.212 1.00 0.00 H new HETATM 0 HBD1 HEM A 90 -3.527 7.361 -2.555 1.00 0.00 H new HETATM 0 HBD2 HEM A 90 -3.283 8.951 -3.252 1.00 0.00 H new HETATM 0 HAD1 HEM A 90 -3.411 10.022 -1.077 1.00 0.00 H new HETATM 0 HAD2 HEM A 90 -3.984 8.553 -0.313 1.00 0.00 H new HETATM 0 HHA HEM A 90 -3.432 6.314 -0.326 1.00 0.00 H new HETATM 0 HHB HEM A 90 0.163 0.989 -0.007 1.00 0.00 H new HETATM 0 HHC HEM A 90 5.029 4.273 -2.695 1.00 0.00 H new HETATM 0 HHD HEM A 90 1.918 9.755 -1.334 1.00 0.00 H new HETATM 0 HAB HEM A 90 5.882 1.681 -1.923 1.00 0.00 H new HETATM 0 HAC HEM A 90 4.823 9.932 -0.797 1.00 0.00 H new