USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=11 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= 3.33 K(o=1.9,f=-12!) USER MOD Set 1.2: A 90 HEM CMD :methyl 150:sc= -1.48 (180deg=-1.48) USER MOD Set 2.1: A 79 TYR OH : rot -104:sc= 1.22 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.0787 X(o=1.1,f=1.1) USER MOD Set 3.1: A 53 GLN : amide:sc= 1.54 K(o=3.5,f=-11!) USER MOD Set 3.2: A 58 LYS NZ :NH3+ -159:sc= 1.92 (180deg=0.0157) USER MOD Set 4.1: A 33 GLN : amide:sc= 0.709 K(o=3.5,f=-5.9) USER MOD Set 4.2: A 87 ASN : amide:sc= 2.76 K(o=3.5,f=-5.5!) USER MOD Single : A 1 GLU N :NH3+ -158:sc= 1.92 (180deg=1.38!) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0.858 (180deg=0.283) USER MOD Single : A 14 ASN : amide:sc= 0.984 K(o=0.98,f=0.38) USER MOD Single : A 25 ASN : amide:sc= 0.826 K(o=0.83,f=-0.037) USER MOD Single : A 30 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-4.8!) USER MOD Single : A 31 THR OG1 : rot -160:sc= -0.0978 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.16) USER MOD Single : A 39 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.073) USER MOD Single : A 46 ASN : amide:sc= 1.04 K(o=1,f=-0.0034) USER MOD Single : A 52 TYR OH : rot 156:sc= 1.23 USER MOD Single : A 56 ASN : amide:sc= 1.26 K(o=1.3,f=-0.14) USER MOD Single : A 61 MET CE :methyl -173:sc= -0.256 (180deg=-0.351) USER MOD Single : A 81 TYR OH : rot 171:sc= 1.19 USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= 0.954 (180deg=-0.325!) USER MOD Single : A 90 HEM CMA :methyl 150:sc= -0.243 (180deg=-0.243) USER MOD Single : A 90 HEM CMB :methyl 150:sc= -0.881 (180deg=-0.881) USER MOD Single : A 90 HEM CMC :methyl 150:sc= -0.495 (180deg=-0.495) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.022 -14.642 -7.253 1.00 0.00 N ATOM 2 CA GLU A 1 2.032 -15.075 -6.257 1.00 0.00 C ATOM 3 C GLU A 1 1.696 -13.952 -5.266 1.00 0.00 C ATOM 4 O GLU A 1 0.563 -13.479 -5.285 1.00 0.00 O ATOM 5 CB GLU A 1 2.466 -16.361 -5.524 1.00 0.00 C ATOM 6 CG GLU A 1 2.111 -17.661 -6.271 1.00 0.00 C ATOM 7 CD GLU A 1 2.997 -17.967 -7.473 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.241 -17.020 -8.250 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.398 -19.143 -7.598 1.00 0.00 O ATOM 0 H1 GLU A 1 2.955 -15.249 -8.095 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.835 -13.655 -7.522 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.977 -14.716 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 1 1.121 -15.313 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.544 -16.329 -5.364 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.998 -16.381 -4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.171 -18.494 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 1 1.076 -17.600 -6.606 1.00 0.00 H new ATOM 10 N ALA A 2 2.650 -13.578 -4.396 1.00 0.00 N ATOM 11 CA ALA A 2 2.582 -12.559 -3.337 1.00 0.00 C ATOM 12 C ALA A 2 3.322 -13.022 -2.075 1.00 0.00 C ATOM 13 O ALA A 2 2.674 -13.412 -1.103 1.00 0.00 O ATOM 14 CB ALA A 2 1.143 -12.180 -2.940 1.00 0.00 C ATOM 0 H ALA A 2 3.569 -14.021 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 2 3.061 -11.677 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.169 -11.424 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.619 -11.782 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.621 -13.065 -2.575 1.00 0.00 H new ATOM 15 N ASP A 3 4.657 -12.947 -2.036 1.00 0.00 N ATOM 16 CA ASP A 3 5.373 -13.133 -0.774 1.00 0.00 C ATOM 17 C ASP A 3 5.272 -11.874 0.101 1.00 0.00 C ATOM 18 O ASP A 3 5.379 -10.741 -0.371 1.00 0.00 O ATOM 19 CB ASP A 3 6.823 -13.572 -0.997 1.00 0.00 C ATOM 20 CG ASP A 3 7.648 -13.484 0.283 1.00 0.00 C ATOM 21 OD1 ASP A 3 7.099 -13.757 1.376 1.00 0.00 O ATOM 22 OD2 ASP A 3 8.808 -13.043 0.173 1.00 0.00 O ATOM 0 H ASP A 3 5.250 -12.763 -2.845 1.00 0.00 H new ATOM 0 HA ASP A 3 4.890 -13.947 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.839 -14.596 -1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.277 -12.947 -1.765 1.00 0.00 H new ATOM 23 N LEU A 4 5.093 -12.093 1.403 1.00 0.00 N ATOM 24 CA LEU A 4 5.010 -11.055 2.412 1.00 0.00 C ATOM 25 C LEU A 4 6.392 -10.480 2.711 1.00 0.00 C ATOM 26 O LEU A 4 6.496 -9.289 2.992 1.00 0.00 O ATOM 27 CB LEU A 4 4.384 -11.601 3.700 1.00 0.00 C ATOM 28 CG LEU A 4 2.995 -12.228 3.515 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.423 -12.538 4.901 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.019 -11.311 2.769 1.00 0.00 C ATOM 0 H LEU A 4 4.999 -13.032 1.790 1.00 0.00 H new ATOM 0 HA LEU A 4 4.376 -10.259 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.053 -12.349 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.310 -10.791 4.425 1.00 0.00 H new ATOM 0 HG LEU A 4 3.113 -13.128 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.435 -12.985 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.082 -13.234 5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.344 -11.616 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.055 -11.810 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.892 -10.384 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.415 -11.087 1.779 1.00 0.00 H new ATOM 31 N ALA A 5 7.453 -11.294 2.685 1.00 0.00 N ATOM 32 CA ALA A 5 8.796 -10.802 2.981 1.00 0.00 C ATOM 33 C ALA A 5 9.309 -9.956 1.818 1.00 0.00 C ATOM 34 O ALA A 5 9.819 -8.861 2.042 1.00 0.00 O ATOM 35 CB ALA A 5 9.733 -11.968 3.305 1.00 0.00 C ATOM 0 H ALA A 5 7.405 -12.288 2.463 1.00 0.00 H new ATOM 0 HA ALA A 5 8.762 -10.163 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.730 -11.584 3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.354 -12.509 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.783 -12.643 2.450 1.00 0.00 H new ATOM 36 N LEU A 6 9.134 -10.413 0.577 1.00 0.00 N ATOM 37 CA LEU A 6 9.330 -9.602 -0.602 1.00 0.00 C ATOM 38 C LEU A 6 8.477 -8.340 -0.470 1.00 0.00 C ATOM 39 O LEU A 6 9.000 -7.235 -0.586 1.00 0.00 O ATOM 40 CB LEU A 6 8.962 -10.435 -1.836 1.00 0.00 C ATOM 41 CG LEU A 6 9.134 -9.648 -3.136 1.00 0.00 C ATOM 42 CD1 LEU A 6 10.603 -9.327 -3.441 1.00 0.00 C ATOM 43 CD2 LEU A 6 8.526 -10.428 -4.303 1.00 0.00 C ATOM 0 H LEU A 6 8.848 -11.370 0.371 1.00 0.00 H new ATOM 0 HA LEU A 6 10.369 -9.291 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.586 -11.328 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.929 -10.771 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 6 8.613 -8.699 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.667 -8.768 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.021 -8.730 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.166 -10.255 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.653 -9.861 -5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.028 -11.391 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.464 -10.589 -4.119 1.00 0.00 H new ATOM 44 N GLY A 7 7.178 -8.494 -0.183 1.00 0.00 N ATOM 45 CA GLY A 7 6.295 -7.368 0.070 1.00 0.00 C ATOM 46 C GLY A 7 6.908 -6.372 1.050 1.00 0.00 C ATOM 47 O GLY A 7 6.932 -5.172 0.790 1.00 0.00 O ATOM 0 H GLY A 7 6.719 -9.403 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.073 -6.863 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.348 -7.732 0.468 1.00 0.00 H new ATOM 48 N LYS A 8 7.437 -6.857 2.172 1.00 0.00 N ATOM 49 CA LYS A 8 8.104 -6.019 3.139 1.00 0.00 C ATOM 50 C LYS A 8 9.308 -5.321 2.508 1.00 0.00 C ATOM 51 O LYS A 8 9.403 -4.103 2.565 1.00 0.00 O ATOM 52 CB LYS A 8 8.503 -6.842 4.369 1.00 0.00 C ATOM 53 CG LYS A 8 9.141 -5.869 5.354 1.00 0.00 C ATOM 54 CD LYS A 8 9.385 -6.484 6.731 1.00 0.00 C ATOM 55 CE LYS A 8 9.615 -5.417 7.817 1.00 0.00 C ATOM 56 NZ LYS A 8 10.254 -4.177 7.319 1.00 0.00 N ATOM 0 H LYS A 8 7.410 -7.844 2.427 1.00 0.00 H new ATOM 0 HA LYS A 8 7.415 -5.242 3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.632 -7.326 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.203 -7.632 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.089 -5.518 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.497 -4.996 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.530 -7.101 7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.252 -7.143 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.657 -5.163 8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.237 -5.843 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.468 -3.551 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.135 -4.416 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.608 -3.692 6.664 1.00 0.00 H new ATOM 57 N ALA A 9 10.242 -6.081 1.942 1.00 0.00 N ATOM 58 CA ALA A 9 11.438 -5.543 1.303 1.00 0.00 C ATOM 59 C ALA A 9 11.086 -4.411 0.331 1.00 0.00 C ATOM 60 O ALA A 9 11.709 -3.348 0.351 1.00 0.00 O ATOM 61 CB ALA A 9 12.199 -6.667 0.594 1.00 0.00 C ATOM 0 H ALA A 9 10.188 -7.099 1.914 1.00 0.00 H new ATOM 0 HA ALA A 9 12.083 -5.118 2.072 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.091 -6.259 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.490 -7.425 1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.559 -7.118 -0.164 1.00 0.00 H new ATOM 62 N VAL A 10 10.066 -4.622 -0.504 1.00 0.00 N ATOM 63 CA VAL A 10 9.542 -3.593 -1.376 1.00 0.00 C ATOM 64 C VAL A 10 9.072 -2.413 -0.531 1.00 0.00 C ATOM 65 O VAL A 10 9.541 -1.298 -0.749 1.00 0.00 O ATOM 66 CB VAL A 10 8.407 -4.167 -2.236 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.772 -3.083 -3.109 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.902 -5.279 -3.162 1.00 0.00 C ATOM 0 H VAL A 10 9.585 -5.518 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 10 10.320 -3.239 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 10 7.673 -4.570 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.972 -3.520 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.363 -2.297 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.528 -2.659 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.068 -5.658 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.669 -4.883 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.322 -6.089 -2.566 1.00 0.00 H new ATOM 69 N PHE A 11 8.155 -2.655 0.412 1.00 0.00 N ATOM 70 CA PHE A 11 7.568 -1.638 1.275 1.00 0.00 C ATOM 71 C PHE A 11 8.639 -0.722 1.857 1.00 0.00 C ATOM 72 O PHE A 11 8.660 0.484 1.598 1.00 0.00 O ATOM 73 CB PHE A 11 6.738 -2.290 2.389 1.00 0.00 C ATOM 74 CG PHE A 11 5.991 -1.285 3.236 1.00 0.00 C ATOM 75 CD1 PHE A 11 4.797 -0.724 2.749 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.587 -0.764 4.400 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.241 0.398 3.381 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.008 0.341 5.051 1.00 0.00 C ATOM 79 CZ PHE A 11 4.843 0.930 4.534 1.00 0.00 C ATOM 0 H PHE A 11 7.794 -3.591 0.597 1.00 0.00 H new ATOM 0 HA PHE A 11 6.903 -1.023 0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.024 -2.983 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.397 -2.877 3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.308 -1.157 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.488 -1.212 4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.348 0.854 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.460 0.736 5.949 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.410 1.791 5.022 1.00 0.00 H new ATOM 80 N ASP A 12 9.538 -1.334 2.626 1.00 0.00 N ATOM 81 CA ASP A 12 10.679 -0.735 3.280 1.00 0.00 C ATOM 82 C ASP A 12 11.435 0.212 2.342 1.00 0.00 C ATOM 83 O ASP A 12 11.856 1.286 2.767 1.00 0.00 O ATOM 84 CB ASP A 12 11.599 -1.866 3.763 1.00 0.00 C ATOM 85 CG ASP A 12 11.053 -2.734 4.895 1.00 0.00 C ATOM 86 OD1 ASP A 12 9.879 -2.585 5.306 1.00 0.00 O ATOM 87 OD2 ASP A 12 11.822 -3.579 5.406 1.00 0.00 O ATOM 0 H ASP A 12 9.475 -2.334 2.816 1.00 0.00 H new ATOM 0 HA ASP A 12 10.338 -0.135 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.826 -2.511 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.541 -1.427 4.090 1.00 0.00 H new ATOM 88 N GLY A 13 11.635 -0.176 1.076 1.00 0.00 N ATOM 89 CA GLY A 13 12.429 0.605 0.142 1.00 0.00 C ATOM 90 C GLY A 13 11.602 1.683 -0.557 1.00 0.00 C ATOM 91 O GLY A 13 12.071 2.799 -0.767 1.00 0.00 O ATOM 0 H GLY A 13 11.251 -1.034 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.257 1.073 0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.864 -0.058 -0.605 1.00 0.00 H new ATOM 92 N ASN A 14 10.391 1.321 -0.987 1.00 0.00 N ATOM 93 CA ASN A 14 9.643 2.037 -2.013 1.00 0.00 C ATOM 94 C ASN A 14 8.519 2.873 -1.418 1.00 0.00 C ATOM 95 O ASN A 14 8.186 3.933 -1.947 1.00 0.00 O ATOM 96 CB ASN A 14 9.031 1.047 -3.016 1.00 0.00 C ATOM 97 CG ASN A 14 10.085 0.328 -3.848 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.375 0.724 -4.973 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.661 -0.739 -3.305 1.00 0.00 N ATOM 0 H ASN A 14 9.897 0.506 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 14 10.349 2.700 -2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.435 0.311 -2.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.352 1.582 -3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.369 -1.257 -3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.396 -1.040 -2.367 1.00 0.00 H new ATOM 100 N CYS A 15 7.880 2.352 -0.372 1.00 0.00 N ATOM 101 CA CYS A 15 6.586 2.816 0.104 1.00 0.00 C ATOM 102 C CYS A 15 6.794 3.612 1.388 1.00 0.00 C ATOM 103 O CYS A 15 6.286 4.725 1.532 1.00 0.00 O ATOM 104 CB CYS A 15 5.684 1.632 0.341 1.00 0.00 C ATOM 105 SG CYS A 15 5.603 0.473 -1.065 1.00 0.00 S ATOM 0 H CYS A 15 8.258 1.580 0.177 1.00 0.00 H new ATOM 0 HA CYS A 15 6.114 3.459 -0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.031 1.094 1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.679 1.992 0.561 1.00 0.00 H new ATOM 106 N ALA A 16 7.597 3.056 2.303 1.00 0.00 N ATOM 107 CA ALA A 16 7.980 3.683 3.561 1.00 0.00 C ATOM 108 C ALA A 16 8.464 5.123 3.361 1.00 0.00 C ATOM 109 O ALA A 16 8.239 5.972 4.219 1.00 0.00 O ATOM 110 CB ALA A 16 9.058 2.842 4.245 1.00 0.00 C ATOM 0 H ALA A 16 8.007 2.130 2.179 1.00 0.00 H new ATOM 0 HA ALA A 16 7.097 3.730 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.344 3.312 5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.670 1.843 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.930 2.771 3.596 1.00 0.00 H new ATOM 111 N ALA A 17 9.095 5.394 2.211 1.00 0.00 N ATOM 112 CA ALA A 17 9.456 6.730 1.752 1.00 0.00 C ATOM 113 C ALA A 17 8.375 7.767 2.070 1.00 0.00 C ATOM 114 O ALA A 17 8.689 8.853 2.552 1.00 0.00 O ATOM 115 CB ALA A 17 9.716 6.687 0.242 1.00 0.00 C ATOM 0 H ALA A 17 9.375 4.662 1.558 1.00 0.00 H new ATOM 0 HA ALA A 17 10.357 7.037 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.987 7.683 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.531 5.994 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.815 6.353 -0.273 1.00 0.00 H new ATOM 116 N CYS A 18 7.111 7.431 1.786 1.00 0.00 N ATOM 117 CA CYS A 18 5.965 8.289 2.061 1.00 0.00 C ATOM 118 C CYS A 18 5.159 7.765 3.253 1.00 0.00 C ATOM 119 O CYS A 18 4.502 8.559 3.921 1.00 0.00 O ATOM 120 CB CYS A 18 5.097 8.409 0.836 1.00 0.00 C ATOM 121 SG CYS A 18 5.961 9.315 -0.483 1.00 0.00 S ATOM 0 H CYS A 18 6.858 6.543 1.353 1.00 0.00 H new ATOM 0 HA CYS A 18 6.334 9.281 2.322 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.822 7.416 0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.171 8.924 1.090 1.00 0.00 H new ATOM 122 N HIS A 19 5.181 6.449 3.503 1.00 0.00 N ATOM 123 CA HIS A 19 4.314 5.770 4.462 1.00 0.00 C ATOM 124 C HIS A 19 5.075 5.100 5.611 1.00 0.00 C ATOM 125 O HIS A 19 4.624 4.072 6.112 1.00 0.00 O ATOM 126 CB HIS A 19 3.491 4.722 3.703 1.00 0.00 C ATOM 127 CG HIS A 19 2.594 5.297 2.645 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.482 6.068 2.881 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.599 4.964 1.316 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.823 6.185 1.718 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.460 5.528 0.733 1.00 0.00 N ATOM 0 H HIS A 19 5.822 5.814 3.028 1.00 0.00 H new ATOM 0 HA HIS A 19 3.677 6.524 4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.171 4.008 3.239 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.883 4.166 4.417 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.208 6.476 3.775 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.348 4.373 0.810 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.098 6.735 1.590 1.00 0.00 H new ATOM 132 N ALA A 20 6.204 5.645 6.066 1.00 0.00 N ATOM 133 CA ALA A 20 6.904 5.134 7.244 1.00 0.00 C ATOM 134 C ALA A 20 5.917 4.860 8.392 1.00 0.00 C ATOM 135 O ALA A 20 5.134 5.734 8.751 1.00 0.00 O ATOM 136 CB ALA A 20 7.978 6.136 7.677 1.00 0.00 C ATOM 0 H ALA A 20 6.657 6.449 5.631 1.00 0.00 H new ATOM 0 HA ALA A 20 7.383 4.189 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.499 5.754 8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.691 6.278 6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.509 7.090 7.920 1.00 0.00 H new ATOM 137 N GLY A 21 5.896 3.632 8.925 1.00 0.00 N ATOM 138 CA GLY A 21 4.942 3.215 9.954 1.00 0.00 C ATOM 139 C GLY A 21 3.484 3.298 9.483 1.00 0.00 C ATOM 140 O GLY A 21 2.576 3.563 10.268 1.00 0.00 O ATOM 0 H GLY A 21 6.547 2.896 8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.164 2.191 10.255 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.070 3.842 10.837 1.00 0.00 H new ATOM 141 N GLY A 22 3.250 3.100 8.184 1.00 0.00 N ATOM 142 CA GLY A 22 1.954 3.315 7.561 1.00 0.00 C ATOM 143 C GLY A 22 1.552 4.790 7.585 1.00 0.00 C ATOM 144 O GLY A 22 0.370 5.108 7.449 1.00 0.00 O ATOM 0 H GLY A 22 3.967 2.782 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.983 2.963 6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.199 2.724 8.079 1.00 0.00 H new ATOM 145 N GLY A 23 2.520 5.693 7.766 1.00 0.00 N ATOM 146 CA GLY A 23 2.286 7.088 8.087 1.00 0.00 C ATOM 147 C GLY A 23 2.435 7.960 6.857 1.00 0.00 C ATOM 148 O GLY A 23 3.541 8.380 6.537 1.00 0.00 O ATOM 0 H GLY A 23 3.510 5.460 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.285 7.206 8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.990 7.411 8.854 1.00 0.00 H new ATOM 149 N ASN A 24 1.325 8.226 6.166 1.00 0.00 N ATOM 150 CA ASN A 24 1.296 9.110 5.009 1.00 0.00 C ATOM 151 C ASN A 24 1.976 10.445 5.324 1.00 0.00 C ATOM 152 O ASN A 24 1.511 11.180 6.189 1.00 0.00 O ATOM 153 CB ASN A 24 -0.149 9.345 4.581 1.00 0.00 C ATOM 154 CG ASN A 24 -0.206 9.848 3.147 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.511 10.765 2.752 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.028 9.196 2.341 1.00 0.00 N ATOM 0 H ASN A 24 0.415 7.828 6.399 1.00 0.00 H new ATOM 0 HA ASN A 24 1.843 8.636 4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.716 8.418 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.618 10.071 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.082 9.449 1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.608 8.440 2.706 1.00 0.00 H new ATOM 157 N ASN A 25 3.071 10.766 4.636 1.00 0.00 N ATOM 158 CA ASN A 25 3.801 12.017 4.825 1.00 0.00 C ATOM 159 C ASN A 25 3.250 13.136 3.935 1.00 0.00 C ATOM 160 O ASN A 25 3.621 14.292 4.123 1.00 0.00 O ATOM 161 CB ASN A 25 5.298 11.802 4.543 1.00 0.00 C ATOM 162 CG ASN A 25 6.044 11.180 5.722 1.00 0.00 C ATOM 163 OD1 ASN A 25 6.891 11.826 6.331 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.755 9.931 6.068 1.00 0.00 N ATOM 0 H ASN A 25 3.479 10.159 3.925 1.00 0.00 H new ATOM 0 HA ASN A 25 3.669 12.326 5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.409 11.159 3.670 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.756 12.759 4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.240 9.494 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.048 9.409 5.550 1.00 0.00 H new ATOM 165 N VAL A 26 2.404 12.810 2.953 1.00 0.00 N ATOM 166 CA VAL A 26 1.984 13.737 1.908 1.00 0.00 C ATOM 167 C VAL A 26 0.575 14.258 2.196 1.00 0.00 C ATOM 168 O VAL A 26 0.386 15.456 2.385 1.00 0.00 O ATOM 169 CB VAL A 26 2.074 13.023 0.552 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.630 13.925 -0.603 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.495 12.537 0.261 1.00 0.00 C ATOM 0 H VAL A 26 1.989 11.883 2.864 1.00 0.00 H new ATOM 0 HA VAL A 26 2.641 14.606 1.884 1.00 0.00 H new ATOM 0 HB VAL A 26 1.401 12.169 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.710 13.379 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.595 14.231 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.268 14.808 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.517 12.037 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.175 13.389 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.807 11.838 1.037 1.00 0.00 H new ATOM 172 N ILE A 27 -0.416 13.360 2.222 1.00 0.00 N ATOM 173 CA ILE A 27 -1.782 13.660 2.630 1.00 0.00 C ATOM 174 C ILE A 27 -1.944 13.026 4.019 1.00 0.00 C ATOM 175 O ILE A 27 -2.255 11.838 4.112 1.00 0.00 O ATOM 176 CB ILE A 27 -2.795 13.135 1.589 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.523 13.760 0.201 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.223 13.470 2.053 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.611 13.453 -0.830 1.00 0.00 C ATOM 0 H ILE A 27 -0.282 12.385 1.953 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.979 14.731 2.685 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.687 12.054 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.431 14.841 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.566 13.394 -0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.940 13.100 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.413 12.997 3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.329 14.550 2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.355 13.922 -1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.688 12.374 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.566 13.843 -0.478 1.00 0.00 H new ATOM 180 N PRO A 28 -1.678 13.775 5.103 1.00 0.00 N ATOM 181 CA PRO A 28 -1.285 13.210 6.388 1.00 0.00 C ATOM 182 C PRO A 28 -2.302 12.241 6.989 1.00 0.00 C ATOM 183 O PRO A 28 -1.917 11.272 7.638 1.00 0.00 O ATOM 184 CB PRO A 28 -0.994 14.402 7.310 1.00 0.00 C ATOM 185 CG PRO A 28 -1.693 15.579 6.631 1.00 0.00 C ATOM 186 CD PRO A 28 -1.590 15.225 5.151 1.00 0.00 C ATOM 0 HA PRO A 28 -0.403 12.583 6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.383 14.233 8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.077 14.578 7.408 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.730 15.674 6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.202 16.526 6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.393 15.688 4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.650 15.578 4.726 1.00 0.00 H new ATOM 187 N ASP A 29 -3.593 12.502 6.782 1.00 0.00 N ATOM 188 CA ASP A 29 -4.666 11.697 7.348 1.00 0.00 C ATOM 189 C ASP A 29 -4.868 10.384 6.578 1.00 0.00 C ATOM 190 O ASP A 29 -5.352 9.398 7.130 1.00 0.00 O ATOM 191 CB ASP A 29 -5.938 12.551 7.370 1.00 0.00 C ATOM 192 CG ASP A 29 -7.067 11.868 8.127 1.00 0.00 C ATOM 193 OD1 ASP A 29 -6.843 11.540 9.311 1.00 0.00 O ATOM 194 OD2 ASP A 29 -8.147 11.727 7.517 1.00 0.00 O ATOM 0 H ASP A 29 -3.921 13.283 6.213 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.405 11.401 8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.721 13.514 7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.257 12.754 6.348 1.00 0.00 H new ATOM 195 N HIS A 30 -4.466 10.332 5.302 1.00 0.00 N ATOM 196 CA HIS A 30 -4.760 9.206 4.419 1.00 0.00 C ATOM 197 C HIS A 30 -3.704 8.102 4.615 1.00 0.00 C ATOM 198 O HIS A 30 -2.991 7.716 3.686 1.00 0.00 O ATOM 199 CB HIS A 30 -4.879 9.751 2.986 1.00 0.00 C ATOM 200 CG HIS A 30 -5.790 8.974 2.067 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.694 7.641 1.753 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.832 9.486 1.336 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.625 7.370 0.820 1.00 0.00 C ATOM 204 NE2 HIS A 30 -7.346 8.465 0.537 1.00 0.00 N ATOM 0 H HIS A 30 -3.926 11.074 4.856 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.710 8.727 4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.235 10.780 3.036 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.883 9.779 2.543 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.035 6.975 2.155 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -7.192 10.504 1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.772 6.403 0.362 1.00 0.00 H new ATOM 205 N THR A 31 -3.566 7.646 5.864 1.00 0.00 N ATOM 206 CA THR A 31 -2.552 6.705 6.326 1.00 0.00 C ATOM 207 C THR A 31 -2.860 5.279 5.874 1.00 0.00 C ATOM 208 O THR A 31 -4.005 4.959 5.591 1.00 0.00 O ATOM 209 CB THR A 31 -2.521 6.751 7.859 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.805 6.440 8.364 1.00 0.00 O ATOM 211 CG2 THR A 31 -2.093 8.119 8.391 1.00 0.00 C ATOM 0 H THR A 31 -4.192 7.940 6.614 1.00 0.00 H new ATOM 0 HA THR A 31 -1.589 6.989 5.901 1.00 0.00 H new ATOM 0 HB THR A 31 -1.785 6.019 8.193 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.883 6.768 9.284 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.087 8.100 9.481 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.093 8.354 8.027 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.793 8.879 8.045 1.00 0.00 H new ATOM 212 N LEU A 32 -1.882 4.374 5.952 1.00 0.00 N ATOM 213 CA LEU A 32 -2.126 2.954 5.720 1.00 0.00 C ATOM 214 C LEU A 32 -2.695 2.264 6.969 1.00 0.00 C ATOM 215 O LEU A 32 -2.591 1.041 7.092 1.00 0.00 O ATOM 216 CB LEU A 32 -0.836 2.252 5.277 1.00 0.00 C ATOM 217 CG LEU A 32 -0.059 2.961 4.159 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.076 2.047 3.691 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.949 3.278 2.959 1.00 0.00 C ATOM 0 H LEU A 32 -0.913 4.603 6.175 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.868 2.877 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.182 2.148 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.085 1.245 4.943 1.00 0.00 H new ATOM 0 HG LEU A 32 0.324 3.900 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.636 2.540 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.742 1.837 4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.659 1.112 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.360 3.779 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.359 2.352 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.765 3.929 3.273 1.00 0.00 H new ATOM 220 N GLN A 33 -3.280 3.009 7.915 1.00 0.00 N ATOM 221 CA GLN A 33 -3.949 2.361 9.027 1.00 0.00 C ATOM 222 C GLN A 33 -5.195 1.656 8.525 1.00 0.00 C ATOM 223 O GLN A 33 -5.776 2.019 7.504 1.00 0.00 O ATOM 224 CB GLN A 33 -4.361 3.332 10.130 1.00 0.00 C ATOM 225 CG GLN A 33 -3.206 4.107 10.753 1.00 0.00 C ATOM 226 CD GLN A 33 -1.974 3.277 11.103 1.00 0.00 C ATOM 227 OE1 GLN A 33 -1.977 2.550 12.090 1.00 0.00 O ATOM 228 NE2 GLN A 33 -0.904 3.390 10.318 1.00 0.00 N ATOM 0 H GLN A 33 -3.300 4.029 7.927 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.233 1.658 9.453 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.080 4.042 9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.873 2.775 10.914 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.907 4.897 10.064 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.565 4.594 11.660 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.932 4.003 9.503 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.057 2.863 10.531 1.00 0.00 H new ATOM 229 N LYS A 34 -5.630 0.677 9.308 1.00 0.00 N ATOM 230 CA LYS A 34 -6.756 -0.169 8.957 1.00 0.00 C ATOM 231 C LYS A 34 -7.977 0.697 8.678 1.00 0.00 C ATOM 232 O LYS A 34 -8.508 0.704 7.573 1.00 0.00 O ATOM 233 CB LYS A 34 -7.001 -1.147 10.103 1.00 0.00 C ATOM 234 CG LYS A 34 -8.049 -2.198 9.734 1.00 0.00 C ATOM 235 CD LYS A 34 -8.005 -3.285 10.806 1.00 0.00 C ATOM 236 CE LYS A 34 -8.989 -4.409 10.471 1.00 0.00 C ATOM 237 NZ LYS A 34 -8.809 -5.557 11.381 1.00 0.00 N ATOM 0 H LYS A 34 -5.207 0.449 10.208 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.547 -0.740 8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.066 -1.642 10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.330 -0.599 10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.041 -1.749 9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.840 -2.620 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.995 -3.688 10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.251 -2.856 11.777 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.011 -4.037 10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.842 -4.731 9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.599 -6.223 11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.914 -6.038 11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.787 -5.220 12.365 1.00 0.00 H new ATOM 238 N ALA A 35 -8.375 1.469 9.689 1.00 0.00 N ATOM 239 CA ALA A 35 -9.492 2.396 9.601 1.00 0.00 C ATOM 240 C ALA A 35 -9.382 3.285 8.361 1.00 0.00 C ATOM 241 O ALA A 35 -10.360 3.469 7.641 1.00 0.00 O ATOM 242 CB ALA A 35 -9.545 3.247 10.873 1.00 0.00 C ATOM 0 H ALA A 35 -7.921 1.464 10.603 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.415 1.824 9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.381 3.943 10.810 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.677 2.599 11.739 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.615 3.806 10.976 1.00 0.00 H new ATOM 243 N ALA A 36 -8.194 3.839 8.103 1.00 0.00 N ATOM 244 CA ALA A 36 -8.014 4.801 7.028 1.00 0.00 C ATOM 245 C ALA A 36 -8.241 4.114 5.685 1.00 0.00 C ATOM 246 O ALA A 36 -8.945 4.637 4.828 1.00 0.00 O ATOM 247 CB ALA A 36 -6.623 5.420 7.133 1.00 0.00 C ATOM 0 H ALA A 36 -7.345 3.633 8.629 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.743 5.607 7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.484 6.142 6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.521 5.924 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.869 4.637 7.052 1.00 0.00 H new ATOM 248 N ILE A 37 -7.726 2.891 5.552 1.00 0.00 N ATOM 249 CA ILE A 37 -8.018 2.037 4.415 1.00 0.00 C ATOM 250 C ILE A 37 -9.528 1.791 4.305 1.00 0.00 C ATOM 251 O ILE A 37 -10.126 2.091 3.273 1.00 0.00 O ATOM 252 CB ILE A 37 -7.137 0.772 4.509 1.00 0.00 C ATOM 253 CG1 ILE A 37 -5.982 0.841 3.506 1.00 0.00 C ATOM 254 CG2 ILE A 37 -7.874 -0.550 4.329 1.00 0.00 C ATOM 255 CD1 ILE A 37 -4.737 0.148 4.072 1.00 0.00 C ATOM 0 H ILE A 37 -7.095 2.470 6.234 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.758 2.515 3.471 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.768 0.776 5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.276 0.366 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.753 1.882 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.167 -1.375 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.639 -0.648 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.344 -0.573 3.346 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.926 0.207 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.434 0.642 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.965 -0.898 4.278 1.00 0.00 H new ATOM 256 N GLU A 38 -10.154 1.257 5.356 1.00 0.00 N ATOM 257 CA GLU A 38 -11.551 0.870 5.319 1.00 0.00 C ATOM 258 C GLU A 38 -12.465 2.047 4.961 1.00 0.00 C ATOM 259 O GLU A 38 -13.446 1.855 4.246 1.00 0.00 O ATOM 260 CB GLU A 38 -11.934 0.190 6.642 1.00 0.00 C ATOM 261 CG GLU A 38 -11.195 -1.153 6.769 1.00 0.00 C ATOM 262 CD GLU A 38 -11.475 -1.905 8.068 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.283 -1.394 8.871 1.00 0.00 O ATOM 264 OE2 GLU A 38 -10.846 -2.972 8.249 1.00 0.00 O ATOM 0 H GLU A 38 -9.700 1.084 6.253 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.695 0.144 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.679 0.837 7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.011 0.028 6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.473 -1.788 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.123 -0.973 6.691 1.00 0.00 H new ATOM 265 N GLN A 39 -12.164 3.258 5.445 1.00 0.00 N ATOM 266 CA GLN A 39 -12.887 4.451 5.048 1.00 0.00 C ATOM 267 C GLN A 39 -12.519 4.899 3.629 1.00 0.00 C ATOM 268 O GLN A 39 -13.390 5.009 2.770 1.00 0.00 O ATOM 269 CB GLN A 39 -12.611 5.572 6.054 1.00 0.00 C ATOM 270 CG GLN A 39 -13.081 5.250 7.478 1.00 0.00 C ATOM 271 CD GLN A 39 -14.560 4.892 7.570 1.00 0.00 C ATOM 272 OE1 GLN A 39 -15.408 5.759 7.752 1.00 0.00 O ATOM 273 NE2 GLN A 39 -14.883 3.606 7.463 1.00 0.00 N ATOM 0 H GLN A 39 -11.416 3.428 6.118 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.952 4.217 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.541 5.777 6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.105 6.483 5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.491 4.420 7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.884 6.109 8.119 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.155 2.908 7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.859 3.318 7.532 1.00 0.00 H new ATOM 274 N PHE A 40 -11.250 5.247 3.406 1.00 0.00 N ATOM 275 CA PHE A 40 -10.849 6.046 2.255 1.00 0.00 C ATOM 276 C PHE A 40 -10.711 5.231 0.971 1.00 0.00 C ATOM 277 O PHE A 40 -10.992 5.767 -0.099 1.00 0.00 O ATOM 278 CB PHE A 40 -9.572 6.840 2.565 1.00 0.00 C ATOM 279 CG PHE A 40 -9.625 7.679 3.831 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.741 8.497 4.101 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.522 7.699 4.703 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.778 9.277 5.268 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.556 8.487 5.867 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.689 9.266 6.155 1.00 0.00 C ATOM 0 H PHE A 40 -10.478 4.982 4.017 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.658 6.752 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.739 6.141 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.357 7.496 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.569 8.524 3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.647 7.108 4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.644 9.885 5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.711 8.493 6.540 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.723 9.857 7.059 1.00 0.00 H new ATOM 285 N LEU A 41 -10.272 3.968 1.035 1.00 0.00 N ATOM 286 CA LEU A 41 -10.085 3.170 -0.163 1.00 0.00 C ATOM 287 C LEU A 41 -11.398 3.030 -0.946 1.00 0.00 C ATOM 288 O LEU A 41 -12.316 2.337 -0.506 1.00 0.00 O ATOM 289 CB LEU A 41 -9.508 1.793 0.216 1.00 0.00 C ATOM 290 CG LEU A 41 -8.568 1.210 -0.845 1.00 0.00 C ATOM 291 CD1 LEU A 41 -9.059 1.381 -2.284 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.197 1.868 -0.664 1.00 0.00 C ATOM 0 H LEU A 41 -10.043 3.486 1.904 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.375 3.677 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.968 1.881 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.330 1.097 0.383 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.522 0.132 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.335 0.941 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.021 0.882 -2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.171 2.442 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.503 1.473 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.291 2.946 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.820 1.653 0.336 1.00 0.00 H new ATOM 293 N ASP A 42 -11.458 3.623 -2.141 1.00 0.00 N ATOM 294 CA ASP A 42 -12.483 3.445 -3.163 1.00 0.00 C ATOM 295 C ASP A 42 -12.445 2.001 -3.677 1.00 0.00 C ATOM 296 O ASP A 42 -12.013 1.722 -4.794 1.00 0.00 O ATOM 297 CB ASP A 42 -12.273 4.481 -4.288 1.00 0.00 C ATOM 298 CG ASP A 42 -10.861 4.491 -4.868 1.00 0.00 C ATOM 299 OD1 ASP A 42 -9.903 4.462 -4.061 1.00 0.00 O ATOM 300 OD2 ASP A 42 -10.705 4.587 -6.104 1.00 0.00 O ATOM 0 H ASP A 42 -10.741 4.285 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.475 3.616 -2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.983 4.280 -5.090 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.503 5.474 -3.901 1.00 0.00 H new ATOM 301 N GLY A 43 -12.876 1.074 -2.822 1.00 0.00 N ATOM 302 CA GLY A 43 -12.664 -0.347 -2.972 1.00 0.00 C ATOM 303 C GLY A 43 -12.802 -1.106 -1.648 1.00 0.00 C ATOM 304 O GLY A 43 -13.175 -2.278 -1.655 1.00 0.00 O ATOM 0 H GLY A 43 -13.400 1.311 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.381 -0.744 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.670 -0.521 -3.384 1.00 0.00 H new ATOM 305 N GLY A 44 -12.505 -0.467 -0.510 1.00 0.00 N ATOM 306 CA GLY A 44 -12.616 -1.079 0.801 1.00 0.00 C ATOM 307 C GLY A 44 -11.356 -1.873 1.122 1.00 0.00 C ATOM 308 O GLY A 44 -10.432 -1.957 0.311 1.00 0.00 O ATOM 0 H GLY A 44 -12.178 0.499 -0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.772 -0.309 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.485 -1.736 0.831 1.00 0.00 H new ATOM 309 N PHE A 45 -11.305 -2.453 2.324 1.00 0.00 N ATOM 310 CA PHE A 45 -10.146 -3.222 2.751 1.00 0.00 C ATOM 311 C PHE A 45 -10.101 -4.572 2.033 1.00 0.00 C ATOM 312 O PHE A 45 -10.423 -5.604 2.621 1.00 0.00 O ATOM 313 CB PHE A 45 -10.080 -3.374 4.268 1.00 0.00 C ATOM 314 CG PHE A 45 -8.866 -4.106 4.813 1.00 0.00 C ATOM 315 CD1 PHE A 45 -7.596 -3.926 4.231 1.00 0.00 C ATOM 316 CD2 PHE A 45 -8.980 -4.836 6.010 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.447 -4.371 4.897 1.00 0.00 C ATOM 318 CE2 PHE A 45 -7.837 -5.398 6.603 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.566 -5.127 6.070 1.00 0.00 C ATOM 0 H PHE A 45 -12.055 -2.402 3.014 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.254 -2.663 2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.110 -2.380 4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.975 -3.900 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.508 -3.444 3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.947 -4.965 6.474 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.469 -4.131 4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.936 -6.038 7.468 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.682 -5.501 6.564 1.00 0.00 H new ATOM 320 N ASN A 46 -9.701 -4.561 0.762 1.00 0.00 N ATOM 321 CA ASN A 46 -9.694 -5.737 -0.110 1.00 0.00 C ATOM 322 C ASN A 46 -8.360 -5.789 -0.852 1.00 0.00 C ATOM 323 O ASN A 46 -7.777 -4.742 -1.126 1.00 0.00 O ATOM 324 CB ASN A 46 -10.891 -5.674 -1.065 1.00 0.00 C ATOM 325 CG ASN A 46 -12.220 -5.779 -0.321 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.506 -6.790 0.312 1.00 0.00 O ATOM 327 ND2 ASN A 46 -13.049 -4.739 -0.361 1.00 0.00 N ATOM 0 H ASN A 46 -9.365 -3.716 0.299 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.793 -6.654 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.861 -4.738 -1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.818 -6.482 -1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.937 -4.775 0.139 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.796 -3.906 -0.892 1.00 0.00 H new ATOM 328 N ILE A 47 -7.834 -6.981 -1.153 1.00 0.00 N ATOM 329 CA ILE A 47 -6.498 -7.120 -1.715 1.00 0.00 C ATOM 330 C ILE A 47 -6.493 -6.436 -3.076 1.00 0.00 C ATOM 331 O ILE A 47 -5.661 -5.575 -3.335 1.00 0.00 O ATOM 332 CB ILE A 47 -6.123 -8.613 -1.798 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.817 -9.208 -0.412 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.952 -8.851 -2.757 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.429 -8.846 0.127 1.00 0.00 C ATOM 0 H ILE A 47 -8.322 -7.866 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.746 -6.645 -1.086 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.996 -9.130 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.572 -8.863 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.903 -10.293 -0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.718 -9.915 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.225 -8.510 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.079 -8.297 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.289 -9.302 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.665 -9.215 -0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.344 -7.763 0.216 1.00 0.00 H new ATOM 336 N GLU A 48 -7.459 -6.799 -3.915 1.00 0.00 N ATOM 337 CA GLU A 48 -7.752 -6.186 -5.199 1.00 0.00 C ATOM 338 C GLU A 48 -7.663 -4.664 -5.082 1.00 0.00 C ATOM 339 O GLU A 48 -6.884 -4.016 -5.777 1.00 0.00 O ATOM 340 CB GLU A 48 -9.142 -6.613 -5.690 1.00 0.00 C ATOM 341 CG GLU A 48 -9.598 -8.020 -5.273 1.00 0.00 C ATOM 342 CD GLU A 48 -10.212 -8.080 -3.877 1.00 0.00 C ATOM 343 OE1 GLU A 48 -11.428 -7.821 -3.781 1.00 0.00 O ATOM 344 OE2 GLU A 48 -9.435 -8.325 -2.924 1.00 0.00 O ATOM 0 H GLU A 48 -8.091 -7.571 -3.702 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.016 -6.522 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.873 -5.892 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.155 -6.556 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.327 -8.385 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.744 -8.696 -5.313 1.00 0.00 H new ATOM 345 N ALA A 49 -8.470 -4.118 -4.172 1.00 0.00 N ATOM 346 CA ALA A 49 -8.526 -2.690 -3.887 1.00 0.00 C ATOM 347 C ALA A 49 -7.146 -2.115 -3.545 1.00 0.00 C ATOM 348 O ALA A 49 -6.764 -1.079 -4.084 1.00 0.00 O ATOM 349 CB ALA A 49 -9.540 -2.416 -2.775 1.00 0.00 C ATOM 0 H ALA A 49 -9.114 -4.669 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.856 -2.179 -4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.574 -1.346 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.526 -2.757 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.243 -2.950 -1.872 1.00 0.00 H new ATOM 350 N ILE A 50 -6.378 -2.768 -2.665 1.00 0.00 N ATOM 351 CA ILE A 50 -5.022 -2.332 -2.390 1.00 0.00 C ATOM 352 C ILE A 50 -4.205 -2.349 -3.689 1.00 0.00 C ATOM 353 O ILE A 50 -3.676 -1.315 -4.092 1.00 0.00 O ATOM 354 CB ILE A 50 -4.390 -3.187 -1.273 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.112 -3.108 0.088 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.928 -2.782 -1.091 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.356 -1.697 0.625 1.00 0.00 C ATOM 0 H ILE A 50 -6.676 -3.591 -2.141 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.031 -1.306 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.484 -4.222 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.073 -3.615 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.526 -3.661 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.479 -3.385 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.387 -2.943 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.874 -1.728 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.869 -1.757 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.401 -1.187 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.972 -1.140 -0.081 1.00 0.00 H new ATOM 358 N VAL A 51 -4.088 -3.502 -4.353 1.00 0.00 N ATOM 359 CA VAL A 51 -3.270 -3.673 -5.538 1.00 0.00 C ATOM 360 C VAL A 51 -3.575 -2.567 -6.558 1.00 0.00 C ATOM 361 O VAL A 51 -2.667 -1.879 -7.015 1.00 0.00 O ATOM 362 CB VAL A 51 -3.493 -5.084 -6.109 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.667 -5.240 -7.376 1.00 0.00 C ATOM 364 CG2 VAL A 51 -3.029 -6.203 -5.168 1.00 0.00 C ATOM 0 H VAL A 51 -4.572 -4.354 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.214 -3.581 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.567 -5.176 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.818 -6.238 -7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.978 -4.494 -8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.612 -5.101 -7.142 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.216 -7.171 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.962 -6.095 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.579 -6.140 -4.229 1.00 0.00 H new ATOM 365 N TYR A 52 -4.860 -2.357 -6.858 1.00 0.00 N ATOM 366 CA TYR A 52 -5.365 -1.281 -7.705 1.00 0.00 C ATOM 367 C TYR A 52 -4.692 0.066 -7.405 1.00 0.00 C ATOM 368 O TYR A 52 -4.259 0.763 -8.326 1.00 0.00 O ATOM 369 CB TYR A 52 -6.893 -1.223 -7.541 1.00 0.00 C ATOM 370 CG TYR A 52 -7.559 0.123 -7.760 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.703 0.653 -9.054 1.00 0.00 C ATOM 372 CD2 TYR A 52 -8.124 0.802 -6.663 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.420 1.848 -9.250 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.855 1.982 -6.862 1.00 0.00 C ATOM 375 CZ TYR A 52 -9.018 2.500 -8.157 1.00 0.00 C ATOM 376 OH TYR A 52 -9.719 3.652 -8.354 1.00 0.00 O ATOM 0 H TYR A 52 -5.603 -2.958 -6.502 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.118 -1.491 -8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.336 -1.937 -8.236 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.139 -1.563 -6.535 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.263 0.143 -9.898 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.994 0.412 -5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.511 2.265 -10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.293 2.493 -6.018 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.367 3.769 -7.628 1.00 0.00 H new ATOM 377 N GLN A 53 -4.593 0.442 -6.127 1.00 0.00 N ATOM 378 CA GLN A 53 -3.948 1.688 -5.736 1.00 0.00 C ATOM 379 C GLN A 53 -2.492 1.665 -6.214 1.00 0.00 C ATOM 380 O GLN A 53 -2.047 2.570 -6.921 1.00 0.00 O ATOM 381 CB GLN A 53 -4.043 1.863 -4.209 1.00 0.00 C ATOM 382 CG GLN A 53 -3.334 3.122 -3.681 1.00 0.00 C ATOM 383 CD GLN A 53 -4.244 4.314 -3.428 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.463 4.235 -3.570 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.645 5.438 -3.059 1.00 0.00 N ATOM 0 H GLN A 53 -4.955 -0.105 -5.346 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.449 2.539 -6.198 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.094 1.902 -3.922 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.613 0.986 -3.725 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.823 2.870 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.566 3.416 -4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.631 5.464 -2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.198 6.277 -2.882 1.00 0.00 H new ATOM 386 N ILE A 54 -1.758 0.630 -5.799 1.00 0.00 N ATOM 387 CA ILE A 54 -0.332 0.484 -6.064 1.00 0.00 C ATOM 388 C ILE A 54 -0.067 0.498 -7.571 1.00 0.00 C ATOM 389 O ILE A 54 0.800 1.238 -8.030 1.00 0.00 O ATOM 390 CB ILE A 54 0.213 -0.781 -5.367 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.473 -0.548 -3.867 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.541 -1.255 -5.974 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.808 -0.467 -3.042 1.00 0.00 C ATOM 0 H ILE A 54 -2.149 -0.142 -5.260 1.00 0.00 H new ATOM 0 HA ILE A 54 0.208 1.333 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.562 -1.534 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.095 -1.356 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.038 0.376 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.883 -2.147 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.396 -1.487 -7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.288 -0.467 -5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.556 -0.302 -1.994 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.421 0.359 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.363 -1.400 -3.139 1.00 0.00 H new ATOM 394 N GLU A 55 -0.813 -0.294 -8.341 1.00 0.00 N ATOM 395 CA GLU A 55 -0.759 -0.277 -9.783 1.00 0.00 C ATOM 396 C GLU A 55 -0.864 1.165 -10.280 1.00 0.00 C ATOM 397 O GLU A 55 0.093 1.700 -10.842 1.00 0.00 O ATOM 398 CB GLU A 55 -1.954 -1.057 -10.322 1.00 0.00 C ATOM 399 CG GLU A 55 -1.924 -2.583 -10.297 1.00 0.00 C ATOM 400 CD GLU A 55 -3.267 -3.135 -10.788 1.00 0.00 C ATOM 401 OE1 GLU A 55 -4.130 -2.309 -11.182 1.00 0.00 O ATOM 402 OE2 GLU A 55 -3.415 -4.374 -10.746 1.00 0.00 O ATOM 0 H GLU A 55 -1.477 -0.971 -7.965 1.00 0.00 H new ATOM 0 HA GLU A 55 0.178 -0.720 -10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.833 -0.738 -9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.106 -0.749 -11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.116 -2.951 -10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.723 -2.936 -9.285 1.00 0.00 H new ATOM 403 N ASN A 56 -2.047 1.760 -10.103 1.00 0.00 N ATOM 404 CA ASN A 56 -2.534 2.821 -10.968 1.00 0.00 C ATOM 405 C ASN A 56 -2.138 4.209 -10.470 1.00 0.00 C ATOM 406 O ASN A 56 -2.079 5.142 -11.267 1.00 0.00 O ATOM 407 CB ASN A 56 -4.054 2.677 -11.141 1.00 0.00 C ATOM 408 CG ASN A 56 -4.412 1.361 -11.834 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.400 1.276 -13.057 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.695 0.329 -11.046 1.00 0.00 N ATOM 0 H ASN A 56 -2.691 1.514 -9.351 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.058 2.718 -11.943 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.539 2.721 -10.166 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.437 3.514 -11.725 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.914 -0.580 -11.455 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.693 0.446 -10.033 1.00 0.00 H new ATOM 411 N GLY A 57 -1.841 4.355 -9.176 1.00 0.00 N ATOM 412 CA GLY A 57 -1.431 5.636 -8.619 1.00 0.00 C ATOM 413 C GLY A 57 -2.630 6.552 -8.369 1.00 0.00 C ATOM 414 O GLY A 57 -3.704 6.361 -8.939 1.00 0.00 O ATOM 0 H GLY A 57 -1.879 3.595 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.897 5.472 -7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.736 6.124 -9.302 1.00 0.00 H new ATOM 415 N LYS A 58 -2.457 7.506 -7.452 1.00 0.00 N ATOM 416 CA LYS A 58 -3.540 8.190 -6.761 1.00 0.00 C ATOM 417 C LYS A 58 -3.155 9.625 -6.365 1.00 0.00 C ATOM 418 O LYS A 58 -2.169 10.166 -6.868 1.00 0.00 O ATOM 419 CB LYS A 58 -3.891 7.341 -5.532 1.00 0.00 C ATOM 420 CG LYS A 58 -5.394 7.057 -5.454 1.00 0.00 C ATOM 421 CD LYS A 58 -5.773 5.954 -6.447 1.00 0.00 C ATOM 422 CE LYS A 58 -7.235 5.511 -6.289 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.574 5.185 -4.890 1.00 0.00 N ATOM 0 H LYS A 58 -1.533 7.829 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.403 8.291 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.344 6.399 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.570 7.859 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.663 6.754 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.956 7.965 -5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.611 6.311 -7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.117 5.096 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.893 6.304 -6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.418 4.639 -6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.414 4.572 -4.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.774 4.691 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.773 6.062 -4.368 1.00 0.00 H new ATOM 424 N GLY A 59 -3.919 10.245 -5.453 1.00 0.00 N ATOM 425 CA GLY A 59 -3.667 11.606 -4.998 1.00 0.00 C ATOM 426 C GLY A 59 -2.234 11.743 -4.483 1.00 0.00 C ATOM 427 O GLY A 59 -1.859 11.110 -3.512 1.00 0.00 O ATOM 0 H GLY A 59 -4.730 9.809 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.834 12.306 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.370 11.867 -4.207 1.00 0.00 H new ATOM 428 N ALA A 60 -1.410 12.547 -5.151 1.00 0.00 N ATOM 429 CA ALA A 60 0.027 12.648 -4.940 1.00 0.00 C ATOM 430 C ALA A 60 0.701 11.295 -4.646 1.00 0.00 C ATOM 431 O ALA A 60 1.623 11.233 -3.832 1.00 0.00 O ATOM 432 CB ALA A 60 0.289 13.691 -3.851 1.00 0.00 C ATOM 0 H ALA A 60 -1.743 13.172 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 60 0.491 12.975 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.362 13.778 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.108 14.655 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.201 13.383 -2.927 1.00 0.00 H new ATOM 433 N MET A 61 0.269 10.222 -5.324 1.00 0.00 N ATOM 434 CA MET A 61 0.836 8.888 -5.185 1.00 0.00 C ATOM 435 C MET A 61 1.198 8.354 -6.569 1.00 0.00 C ATOM 436 O MET A 61 0.294 8.126 -7.373 1.00 0.00 O ATOM 437 CB MET A 61 -0.159 7.943 -4.506 1.00 0.00 C ATOM 438 CG MET A 61 0.383 6.511 -4.544 1.00 0.00 C ATOM 439 SD MET A 61 -0.204 5.379 -3.260 1.00 0.00 S ATOM 440 CE MET A 61 0.097 3.795 -4.074 1.00 0.00 C ATOM 0 H MET A 61 -0.498 10.266 -5.994 1.00 0.00 H new ATOM 0 HA MET A 61 1.729 8.945 -4.563 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.324 8.253 -3.474 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.124 7.991 -5.011 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.136 6.081 -5.514 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.470 6.558 -4.483 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.324 2.990 -3.471 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.374 3.796 -5.057 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.170 3.642 -4.186 1.00 0.00 H new ATOM 441 N PRO A 62 2.487 8.117 -6.864 1.00 0.00 N ATOM 442 CA PRO A 62 2.887 7.607 -8.159 1.00 0.00 C ATOM 443 C PRO A 62 2.394 6.174 -8.369 1.00 0.00 C ATOM 444 O PRO A 62 2.324 5.383 -7.428 1.00 0.00 O ATOM 445 CB PRO A 62 4.414 7.683 -8.172 1.00 0.00 C ATOM 446 CG PRO A 62 4.801 7.599 -6.697 1.00 0.00 C ATOM 447 CD PRO A 62 3.641 8.306 -5.997 1.00 0.00 C ATOM 0 HA PRO A 62 2.452 8.188 -8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.849 6.865 -8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.764 8.611 -8.624 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.904 6.566 -6.365 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.753 8.093 -6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.462 7.882 -5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.856 9.365 -5.855 1.00 0.00 H new ATOM 448 N ALA A 63 2.088 5.851 -9.626 1.00 0.00 N ATOM 449 CA ALA A 63 1.754 4.509 -10.077 1.00 0.00 C ATOM 450 C ALA A 63 2.967 3.589 -9.933 1.00 0.00 C ATOM 451 O ALA A 63 4.110 4.060 -9.975 1.00 0.00 O ATOM 452 CB ALA A 63 1.324 4.604 -11.546 1.00 0.00 C ATOM 0 H ALA A 63 2.066 6.540 -10.377 1.00 0.00 H new ATOM 0 HA ALA A 63 0.947 4.093 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.066 3.611 -11.915 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.456 5.259 -11.630 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.143 5.010 -12.139 1.00 0.00 H new ATOM 453 N TRP A 64 2.734 2.283 -9.785 1.00 0.00 N ATOM 454 CA TRP A 64 3.787 1.281 -9.734 1.00 0.00 C ATOM 455 C TRP A 64 3.600 0.209 -10.803 1.00 0.00 C ATOM 456 O TRP A 64 4.471 -0.655 -10.952 1.00 0.00 O ATOM 457 CB TRP A 64 3.920 0.721 -8.320 1.00 0.00 C ATOM 458 CG TRP A 64 4.317 1.747 -7.304 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.503 2.572 -6.606 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.668 2.128 -6.943 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.264 3.403 -5.809 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.614 3.169 -5.973 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.940 1.712 -7.375 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.775 3.737 -5.427 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.110 2.279 -6.844 1.00 0.00 C ATOM 466 CH2 TRP A 64 8.031 3.279 -5.859 1.00 0.00 C ATOM 0 H TRP A 64 1.796 1.893 -9.697 1.00 0.00 H new ATOM 0 HA TRP A 64 4.738 1.758 -9.972 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.970 0.277 -8.023 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.659 -0.080 -8.323 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.425 2.579 -6.664 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.876 4.103 -5.177 1.00 0.00 H new ATOM 0 HE3 TRP A 64 7.019 0.943 -8.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.704 4.517 -4.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.076 1.945 -7.194 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.934 3.694 -5.435 1.00 0.00 H new ATOM 467 N ASP A 65 2.522 0.303 -11.596 1.00 0.00 N ATOM 468 CA ASP A 65 2.382 -0.500 -12.784 1.00 0.00 C ATOM 469 C ASP A 65 3.643 -0.360 -13.636 1.00 0.00 C ATOM 470 O ASP A 65 4.275 0.697 -13.681 1.00 0.00 O ATOM 471 CB ASP A 65 1.132 -0.124 -13.582 1.00 0.00 C ATOM 472 CG ASP A 65 1.051 -0.953 -14.860 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.533 -2.108 -14.814 1.00 0.00 O ATOM 474 OD2 ASP A 65 0.556 -0.402 -15.865 1.00 0.00 O ATOM 0 H ASP A 65 1.741 0.935 -11.421 1.00 0.00 H new ATOM 0 HA ASP A 65 2.259 -1.542 -12.488 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.242 -0.290 -12.976 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.156 0.937 -13.830 1.00 0.00 H new ATOM 475 N GLY A 66 4.050 -1.472 -14.230 1.00 0.00 N ATOM 476 CA GLY A 66 5.266 -1.615 -15.017 1.00 0.00 C ATOM 477 C GLY A 66 6.577 -1.389 -14.247 1.00 0.00 C ATOM 478 O GLY A 66 7.638 -1.685 -14.791 1.00 0.00 O ATOM 0 H GLY A 66 3.517 -2.340 -14.174 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.285 -2.616 -15.448 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.226 -0.911 -15.848 1.00 0.00 H new ATOM 479 N ARG A 67 6.547 -0.856 -13.018 1.00 0.00 N ATOM 480 CA ARG A 67 7.746 -0.566 -12.239 1.00 0.00 C ATOM 481 C ARG A 67 8.080 -1.750 -11.335 1.00 0.00 C ATOM 482 O ARG A 67 9.248 -2.113 -11.222 1.00 0.00 O ATOM 483 CB ARG A 67 7.561 0.721 -11.423 1.00 0.00 C ATOM 484 CG ARG A 67 7.417 1.944 -12.342 1.00 0.00 C ATOM 485 CD ARG A 67 7.013 3.195 -11.553 1.00 0.00 C ATOM 486 NE ARG A 67 8.038 3.605 -10.585 1.00 0.00 N ATOM 487 CZ ARG A 67 7.815 4.282 -9.444 1.00 0.00 C ATOM 488 NH1 ARG A 67 6.573 4.583 -9.040 1.00 0.00 N ATOM 489 NH2 ARG A 67 8.857 4.665 -8.698 1.00 0.00 N ATOM 0 H ARG A 67 5.680 -0.614 -12.538 1.00 0.00 H new ATOM 0 HA ARG A 67 8.582 -0.409 -12.920 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.677 0.631 -10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.414 0.860 -10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.360 2.126 -12.857 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.670 1.739 -13.108 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.826 4.014 -12.248 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.078 3.003 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 67 9.004 3.355 -10.796 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.771 4.298 -9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.430 5.097 -8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.807 4.443 -8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.702 5.179 -7.831 1.00 0.00 H new ATOM 490 N LEU A 68 7.063 -2.329 -10.686 1.00 0.00 N ATOM 491 CA LEU A 68 7.207 -3.534 -9.873 1.00 0.00 C ATOM 492 C LEU A 68 6.625 -4.728 -10.644 1.00 0.00 C ATOM 493 O LEU A 68 5.712 -4.537 -11.448 1.00 0.00 O ATOM 494 CB LEU A 68 6.473 -3.342 -8.538 1.00 0.00 C ATOM 495 CG LEU A 68 6.908 -2.132 -7.698 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.974 -2.012 -6.487 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.355 -2.214 -7.203 1.00 0.00 C ATOM 0 H LEU A 68 6.109 -1.968 -10.713 1.00 0.00 H new ATOM 0 HA LEU A 68 8.260 -3.724 -9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.406 -3.253 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.608 -4.243 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 68 6.848 -1.258 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.272 -1.156 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.949 -1.874 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.037 -2.920 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.590 -1.325 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.477 -3.101 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.029 -2.274 -8.058 1.00 0.00 H new ATOM 498 N ASP A 69 7.141 -5.942 -10.414 1.00 0.00 N ATOM 499 CA ASP A 69 6.667 -7.164 -11.073 1.00 0.00 C ATOM 500 C ASP A 69 5.450 -7.743 -10.345 1.00 0.00 C ATOM 501 O ASP A 69 4.938 -7.168 -9.392 1.00 0.00 O ATOM 502 CB ASP A 69 7.795 -8.207 -11.166 1.00 0.00 C ATOM 503 CG ASP A 69 7.756 -9.054 -12.436 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.748 -9.772 -12.609 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.734 -8.978 -13.209 1.00 0.00 O ATOM 0 H ASP A 69 7.906 -6.104 -9.759 1.00 0.00 H new ATOM 0 HA ASP A 69 6.360 -6.903 -12.086 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.755 -7.694 -11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.738 -8.867 -10.300 1.00 0.00 H new ATOM 506 N GLU A 70 5.003 -8.914 -10.780 1.00 0.00 N ATOM 507 CA GLU A 70 3.763 -9.550 -10.343 1.00 0.00 C ATOM 508 C GLU A 70 3.767 -9.801 -8.834 1.00 0.00 C ATOM 509 O GLU A 70 2.960 -9.235 -8.094 1.00 0.00 O ATOM 510 CB GLU A 70 3.542 -10.834 -11.163 1.00 0.00 C ATOM 511 CG GLU A 70 2.308 -11.650 -10.734 1.00 0.00 C ATOM 512 CD GLU A 70 2.598 -12.611 -9.583 1.00 0.00 C ATOM 513 OE1 GLU A 70 3.582 -13.370 -9.674 1.00 0.00 O ATOM 514 OE2 GLU A 70 1.851 -12.614 -8.582 1.00 0.00 O ATOM 0 H GLU A 70 5.510 -9.468 -11.471 1.00 0.00 H new ATOM 0 HA GLU A 70 2.922 -8.882 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.440 -10.567 -12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 70 4.428 -11.463 -11.078 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.513 -10.966 -10.437 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.939 -12.217 -11.589 1.00 0.00 H new ATOM 515 N ASP A 71 4.683 -10.657 -8.380 1.00 0.00 N ATOM 516 CA ASP A 71 4.721 -11.119 -6.997 1.00 0.00 C ATOM 517 C ASP A 71 5.038 -9.935 -6.104 1.00 0.00 C ATOM 518 O ASP A 71 4.466 -9.759 -5.040 1.00 0.00 O ATOM 519 CB ASP A 71 5.780 -12.210 -6.814 1.00 0.00 C ATOM 520 CG ASP A 71 5.542 -12.958 -5.509 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.842 -12.406 -4.433 1.00 0.00 O ATOM 522 OD2 ASP A 71 4.972 -14.068 -5.597 1.00 0.00 O ATOM 0 H ASP A 71 5.421 -11.049 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 71 3.753 -11.545 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.745 -12.906 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.775 -11.765 -6.811 1.00 0.00 H new ATOM 523 N GLU A 72 5.940 -9.093 -6.594 1.00 0.00 N ATOM 524 CA GLU A 72 6.341 -7.851 -5.989 1.00 0.00 C ATOM 525 C GLU A 72 5.106 -6.991 -5.669 1.00 0.00 C ATOM 526 O GLU A 72 4.803 -6.732 -4.504 1.00 0.00 O ATOM 527 CB GLU A 72 7.322 -7.223 -6.985 1.00 0.00 C ATOM 528 CG GLU A 72 8.113 -6.106 -6.360 1.00 0.00 C ATOM 529 CD GLU A 72 9.205 -5.577 -7.278 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.045 -5.751 -8.504 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.179 -5.014 -6.733 1.00 0.00 O ATOM 0 H GLU A 72 6.430 -9.277 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 72 6.835 -7.969 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.004 -7.988 -7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.772 -6.842 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.438 -5.291 -6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.563 -6.459 -5.432 1.00 0.00 H new ATOM 532 N ILE A 73 4.361 -6.598 -6.705 1.00 0.00 N ATOM 533 CA ILE A 73 3.092 -5.863 -6.594 1.00 0.00 C ATOM 534 C ILE A 73 2.159 -6.570 -5.605 1.00 0.00 C ATOM 535 O ILE A 73 1.698 -5.999 -4.615 1.00 0.00 O ATOM 536 CB ILE A 73 2.402 -5.763 -7.976 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.145 -4.849 -8.961 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.936 -5.325 -7.872 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.806 -3.356 -8.849 1.00 0.00 C ATOM 0 H ILE A 73 4.628 -6.786 -7.671 1.00 0.00 H new ATOM 0 HA ILE A 73 3.307 -4.858 -6.232 1.00 0.00 H new ATOM 0 HB ILE A 73 2.435 -6.778 -8.373 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.217 -4.974 -8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.925 -5.180 -9.976 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.501 -5.271 -8.870 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.382 -6.048 -7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.882 -4.344 -7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.382 -2.796 -9.586 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.742 -3.210 -9.033 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.054 -3.001 -7.849 1.00 0.00 H new ATOM 540 N ALA A 74 1.838 -7.826 -5.901 1.00 0.00 N ATOM 541 CA ALA A 74 0.868 -8.575 -5.121 1.00 0.00 C ATOM 542 C ALA A 74 1.337 -8.736 -3.669 1.00 0.00 C ATOM 543 O ALA A 74 0.524 -8.793 -2.746 1.00 0.00 O ATOM 544 CB ALA A 74 0.603 -9.914 -5.814 1.00 0.00 C ATOM 0 H ALA A 74 2.240 -8.346 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.074 -8.029 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.124 -10.485 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.211 -9.734 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.533 -10.478 -5.884 1.00 0.00 H new ATOM 545 N GLY A 75 2.652 -8.775 -3.457 1.00 0.00 N ATOM 546 CA GLY A 75 3.294 -9.052 -2.193 1.00 0.00 C ATOM 547 C GLY A 75 3.257 -7.796 -1.357 1.00 0.00 C ATOM 548 O GLY A 75 2.906 -7.852 -0.185 1.00 0.00 O ATOM 0 H GLY A 75 3.323 -8.604 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.783 -9.866 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.324 -9.372 -2.352 1.00 0.00 H new ATOM 549 N VAL A 76 3.587 -6.647 -1.949 1.00 0.00 N ATOM 550 CA VAL A 76 3.517 -5.381 -1.241 1.00 0.00 C ATOM 551 C VAL A 76 2.069 -5.108 -0.830 1.00 0.00 C ATOM 552 O VAL A 76 1.820 -4.730 0.316 1.00 0.00 O ATOM 553 CB VAL A 76 4.214 -4.268 -2.043 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.349 -3.516 -3.057 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.768 -3.199 -1.094 1.00 0.00 C ATOM 0 H VAL A 76 3.904 -6.574 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 76 4.079 -5.419 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 76 4.979 -4.810 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.951 -2.758 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.961 -4.218 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.518 -3.036 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.259 -2.417 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.951 -2.765 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.489 -3.654 -0.415 1.00 0.00 H new ATOM 556 N ALA A 77 1.106 -5.373 -1.724 1.00 0.00 N ATOM 557 CA ALA A 77 -0.299 -5.305 -1.355 1.00 0.00 C ATOM 558 C ALA A 77 -0.622 -6.248 -0.191 1.00 0.00 C ATOM 559 O ALA A 77 -1.144 -5.805 0.830 1.00 0.00 O ATOM 560 CB ALA A 77 -1.173 -5.606 -2.568 1.00 0.00 C ATOM 0 H ALA A 77 1.280 -5.633 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.514 -4.292 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.223 -5.553 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.973 -4.875 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.948 -6.606 -2.939 1.00 0.00 H new ATOM 561 N ALA A 78 -0.322 -7.542 -0.326 1.00 0.00 N ATOM 562 CA ALA A 78 -0.573 -8.529 0.721 1.00 0.00 C ATOM 563 C ALA A 78 0.088 -8.148 2.052 1.00 0.00 C ATOM 564 O ALA A 78 -0.502 -8.328 3.113 1.00 0.00 O ATOM 565 CB ALA A 78 -0.109 -9.908 0.248 1.00 0.00 C ATOM 0 H ALA A 78 0.103 -7.933 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.646 -8.556 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.297 -10.643 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.657 -10.187 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.958 -9.877 0.028 1.00 0.00 H new ATOM 566 N TYR A 79 1.310 -7.621 2.010 1.00 0.00 N ATOM 567 CA TYR A 79 2.050 -7.200 3.187 1.00 0.00 C ATOM 568 C TYR A 79 1.331 -6.043 3.860 1.00 0.00 C ATOM 569 O TYR A 79 1.024 -6.128 5.042 1.00 0.00 O ATOM 570 CB TYR A 79 3.470 -6.776 2.794 1.00 0.00 C ATOM 571 CG TYR A 79 4.294 -6.265 3.961 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.696 -7.158 4.970 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.523 -4.883 4.120 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.328 -6.675 6.130 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.164 -4.403 5.277 1.00 0.00 C ATOM 576 CZ TYR A 79 5.565 -5.300 6.280 1.00 0.00 C ATOM 577 OH TYR A 79 6.225 -4.847 7.382 1.00 0.00 O ATOM 0 H TYR A 79 1.819 -7.474 1.138 1.00 0.00 H new ATOM 0 HA TYR A 79 2.113 -8.036 3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.982 -7.625 2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.411 -5.998 2.033 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.519 -8.217 4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.206 -4.192 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.631 -7.363 6.906 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.347 -3.345 5.393 1.00 0.00 H new ATOM 0 HH TYR A 79 5.585 -4.436 8.001 1.00 0.00 H new ATOM 578 N VAL A 80 1.051 -4.972 3.113 1.00 0.00 N ATOM 579 CA VAL A 80 0.215 -3.877 3.575 1.00 0.00 C ATOM 580 C VAL A 80 -1.059 -4.447 4.204 1.00 0.00 C ATOM 581 O VAL A 80 -1.445 -4.033 5.296 1.00 0.00 O ATOM 582 CB VAL A 80 -0.050 -2.956 2.375 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.275 -2.077 2.585 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.173 -2.067 2.111 1.00 0.00 C ATOM 0 H VAL A 80 1.404 -4.846 2.164 1.00 0.00 H new ATOM 0 HA VAL A 80 0.699 -3.284 4.351 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.240 -3.597 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.422 -1.443 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.154 -2.706 2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.127 -1.452 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.974 -1.418 1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.376 -1.457 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.039 -2.694 1.896 1.00 0.00 H new ATOM 585 N TYR A 81 -1.695 -5.417 3.538 1.00 0.00 N ATOM 586 CA TYR A 81 -2.892 -6.057 4.048 1.00 0.00 C ATOM 587 C TYR A 81 -2.645 -6.667 5.426 1.00 0.00 C ATOM 588 O TYR A 81 -3.339 -6.308 6.368 1.00 0.00 O ATOM 589 CB TYR A 81 -3.461 -7.078 3.056 1.00 0.00 C ATOM 590 CG TYR A 81 -4.949 -7.305 3.228 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.428 -8.146 4.249 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.859 -6.613 2.409 1.00 0.00 C ATOM 593 CE1 TYR A 81 -6.812 -8.265 4.473 1.00 0.00 C ATOM 594 CE2 TYR A 81 -7.239 -6.749 2.623 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.717 -7.537 3.682 1.00 0.00 C ATOM 596 OH TYR A 81 -9.054 -7.622 3.934 1.00 0.00 O ATOM 0 H TYR A 81 -1.388 -5.773 2.633 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.653 -5.286 4.167 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.266 -6.736 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.938 -8.026 3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.733 -8.701 4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.496 -5.977 1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.179 -8.916 5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.937 -6.245 1.970 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.531 -6.956 3.396 1.00 0.00 H new ATOM 597 N ASP A 82 -1.668 -7.565 5.566 1.00 0.00 N ATOM 598 CA ASP A 82 -1.321 -8.172 6.852 1.00 0.00 C ATOM 599 C ASP A 82 -1.064 -7.095 7.912 1.00 0.00 C ATOM 600 O ASP A 82 -1.691 -7.040 8.974 1.00 0.00 O ATOM 601 CB ASP A 82 -0.048 -9.022 6.706 1.00 0.00 C ATOM 602 CG ASP A 82 0.365 -9.522 8.084 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.486 -10.100 8.798 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.482 -9.189 8.536 1.00 0.00 O ATOM 0 H ASP A 82 -1.094 -7.892 4.789 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.159 -8.796 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.230 -9.863 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.753 -8.430 6.263 1.00 0.00 H new ATOM 605 N GLN A 83 -0.094 -6.247 7.582 1.00 0.00 N ATOM 606 CA GLN A 83 0.464 -5.173 8.372 1.00 0.00 C ATOM 607 C GLN A 83 -0.655 -4.282 8.928 1.00 0.00 C ATOM 608 O GLN A 83 -0.621 -3.919 10.108 1.00 0.00 O ATOM 609 CB GLN A 83 1.467 -4.456 7.453 1.00 0.00 C ATOM 610 CG GLN A 83 2.251 -3.303 8.042 1.00 0.00 C ATOM 611 CD GLN A 83 3.094 -3.665 9.244 1.00 0.00 C ATOM 612 OE1 GLN A 83 4.274 -3.984 9.122 1.00 0.00 O ATOM 613 NE2 GLN A 83 2.485 -3.573 10.415 1.00 0.00 N ATOM 0 H GLN A 83 0.357 -6.307 6.669 1.00 0.00 H new ATOM 0 HA GLN A 83 0.991 -5.519 9.262 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.179 -5.197 7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.922 -4.084 6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.900 -2.890 7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.554 -2.515 8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.502 -3.304 10.459 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.998 -3.772 11.274 1.00 0.00 H new ATOM 614 N ALA A 84 -1.651 -3.969 8.091 1.00 0.00 N ATOM 615 CA ALA A 84 -2.838 -3.202 8.451 1.00 0.00 C ATOM 616 C ALA A 84 -3.910 -4.060 9.137 1.00 0.00 C ATOM 617 O ALA A 84 -4.602 -3.572 10.023 1.00 0.00 O ATOM 618 CB ALA A 84 -3.412 -2.532 7.201 1.00 0.00 C ATOM 0 H ALA A 84 -1.648 -4.255 7.112 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.534 -2.444 9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.299 -1.959 7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.665 -1.864 6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.681 -3.295 6.470 1.00 0.00 H new ATOM 619 N ALA A 85 -4.077 -5.330 8.763 1.00 0.00 N ATOM 620 CA ALA A 85 -5.154 -6.196 9.243 1.00 0.00 C ATOM 621 C ALA A 85 -5.123 -6.327 10.759 1.00 0.00 C ATOM 622 O ALA A 85 -6.152 -6.140 11.416 1.00 0.00 O ATOM 623 CB ALA A 85 -5.082 -7.584 8.596 1.00 0.00 C ATOM 0 H ALA A 85 -3.453 -5.795 8.103 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.095 -5.728 8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.895 -8.204 8.973 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.172 -7.486 7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.127 -8.050 8.840 1.00 0.00 H new ATOM 624 N GLY A 86 -3.939 -6.622 11.302 1.00 0.00 N ATOM 625 CA GLY A 86 -3.698 -6.613 12.741 1.00 0.00 C ATOM 626 C GLY A 86 -3.270 -5.229 13.240 1.00 0.00 C ATOM 627 O GLY A 86 -2.857 -5.099 14.387 1.00 0.00 O ATOM 0 H GLY A 86 -3.119 -6.875 10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.603 -6.923 13.263 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.925 -7.342 12.984 1.00 0.00 H new ATOM 628 N ASN A 87 -3.348 -4.216 12.368 1.00 0.00 N ATOM 629 CA ASN A 87 -2.845 -2.856 12.520 1.00 0.00 C ATOM 630 C ASN A 87 -1.562 -2.812 13.347 1.00 0.00 C ATOM 631 O ASN A 87 -1.453 -2.051 14.307 1.00 0.00 O ATOM 632 CB ASN A 87 -3.957 -1.926 13.025 1.00 0.00 C ATOM 633 CG ASN A 87 -3.671 -0.471 12.657 1.00 0.00 C ATOM 634 OD1 ASN A 87 -4.312 0.090 11.771 1.00 0.00 O ATOM 635 ND2 ASN A 87 -2.696 0.145 13.311 1.00 0.00 N ATOM 0 H ASN A 87 -3.804 -4.343 11.464 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.552 -2.475 11.541 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.912 -2.231 12.597 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.049 -2.019 14.107 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.460 1.111 13.084 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.182 -0.347 14.042 1.00 0.00 H new ATOM 636 N LYS A 88 -0.580 -3.627 12.955 1.00 0.00 N ATOM 637 CA LYS A 88 0.642 -3.835 13.707 1.00 0.00 C ATOM 638 C LYS A 88 1.744 -2.895 13.193 1.00 0.00 C ATOM 639 O LYS A 88 2.911 -3.282 13.133 1.00 0.00 O ATOM 640 CB LYS A 88 0.973 -5.342 13.647 1.00 0.00 C ATOM 641 CG LYS A 88 1.526 -5.838 12.303 1.00 0.00 C ATOM 642 CD LYS A 88 1.634 -7.364 12.165 1.00 0.00 C ATOM 643 CE LYS A 88 0.330 -8.021 11.687 1.00 0.00 C ATOM 644 NZ LYS A 88 0.597 -9.293 10.980 1.00 0.00 N ATOM 0 H LYS A 88 -0.620 -4.166 12.090 1.00 0.00 H new ATOM 0 HA LYS A 88 0.537 -3.574 14.760 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.700 -5.569 14.427 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.069 -5.905 13.880 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.888 -5.461 11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.515 -5.404 12.153 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.433 -7.603 11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.917 -7.791 13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.321 -8.207 12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.202 -7.339 11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.263 -9.600 10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.364 -9.153 10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.877 -10.021 11.668 1.00 0.00 H new ATOM 645 N TRP A 89 1.357 -1.702 12.725 1.00 0.00 N ATOM 646 CA TRP A 89 2.279 -0.668 12.277 1.00 0.00 C ATOM 647 C TRP A 89 3.167 -0.207 13.435 1.00 0.00 C ATOM 648 O TRP A 89 2.678 -0.248 14.587 1.00 0.00 O ATOM 649 CB TRP A 89 1.477 0.512 11.718 1.00 0.00 C ATOM 650 CG TRP A 89 0.817 0.268 10.395 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.512 0.202 10.162 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.459 0.042 9.107 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.731 -0.015 8.818 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.448 -0.146 8.118 1.00 0.00 C ATOM 655 CE3 TRP A 89 2.799 -0.070 8.682 1.00 0.00 C ATOM 656 CZ2 TRP A 89 0.751 -0.422 6.773 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.110 -0.379 7.348 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.096 -0.507 6.383 1.00 0.00 C ATOM 659 OXT TRP A 89 4.312 0.198 13.140 1.00 0.00 O ATOM 0 H TRP A 89 0.377 -1.430 12.648 1.00 0.00 H new ATOM 0 HA TRP A 89 2.923 -1.071 11.495 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.710 0.785 12.443 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.143 1.369 11.621 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.283 0.303 10.912 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.656 -0.072 8.393 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.597 0.084 9.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -0.039 -0.566 6.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.141 -0.520 7.060 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.351 -0.670 5.346 1.00 0.00 H new TER 660 TRP A 89 HETATM 661 FE HEM A 90 0.830 5.305 -1.114 1.00 0.00 FE HETATM 662 CHA HEM A 90 -2.464 6.159 -0.397 1.00 0.00 C HETATM 663 CHB HEM A 90 0.133 1.986 -0.536 1.00 0.00 C HETATM 664 CHC HEM A 90 3.987 4.487 -2.270 1.00 0.00 C HETATM 665 CHD HEM A 90 1.627 8.693 -1.346 1.00 0.00 C HETATM 666 NA HEM A 90 -0.871 4.256 -0.614 1.00 0.00 N HETATM 667 C1A HEM A 90 -2.091 4.814 -0.357 1.00 0.00 C HETATM 668 C2A HEM A 90 -2.978 3.745 0.032 1.00 0.00 C HETATM 669 C3A HEM A 90 -2.263 2.573 -0.012 1.00 0.00 C HETATM 670 C4A HEM A 90 -0.911 2.905 -0.405 1.00 0.00 C HETATM 671 CMA HEM A 90 -2.831 1.208 0.297 1.00 0.00 C HETATM 672 CAA HEM A 90 -4.382 3.905 0.558 1.00 0.00 C HETATM 673 CBA HEM A 90 -4.404 4.316 2.034 1.00 0.00 C HETATM 674 CGA HEM A 90 -5.806 4.678 2.498 1.00 0.00 C HETATM 675 O1A HEM A 90 -6.765 4.139 1.907 1.00 0.00 O HETATM 676 O2A HEM A 90 -5.892 5.548 3.391 1.00 0.00 O HETATM 677 NB HEM A 90 1.879 3.550 -1.350 1.00 0.00 N HETATM 678 C1B HEM A 90 1.397 2.316 -1.031 1.00 0.00 C HETATM 679 C2B HEM A 90 2.447 1.359 -1.298 1.00 0.00 C HETATM 680 C3B HEM A 90 3.497 2.047 -1.871 1.00 0.00 C HETATM 681 C4B HEM A 90 3.144 3.449 -1.859 1.00 0.00 C HETATM 682 CMB HEM A 90 2.428 -0.107 -0.930 1.00 0.00 C HETATM 683 CAB HEM A 90 4.806 1.453 -2.359 1.00 0.00 C HETATM 684 CBB HEM A 90 4.660 0.603 -3.628 1.00 0.00 C HETATM 685 NC HEM A 90 2.500 6.394 -1.724 1.00 0.00 N HETATM 686 C1C HEM A 90 3.674 5.836 -2.129 1.00 0.00 C HETATM 687 C2C HEM A 90 4.617 6.905 -2.347 1.00 0.00 C HETATM 688 C3C HEM A 90 3.990 8.081 -1.994 1.00 0.00 C HETATM 689 C4C HEM A 90 2.614 7.756 -1.678 1.00 0.00 C HETATM 690 CMC HEM A 90 6.071 6.729 -2.719 1.00 0.00 C HETATM 691 CAC HEM A 90 4.659 9.421 -1.752 1.00 0.00 C HETATM 692 CBC HEM A 90 5.167 10.111 -3.020 1.00 0.00 C HETATM 693 ND HEM A 90 -0.240 7.111 -0.938 1.00 0.00 N HETATM 694 C1D HEM A 90 0.305 8.354 -1.060 1.00 0.00 C HETATM 695 C2D HEM A 90 -0.761 9.311 -0.880 1.00 0.00 C HETATM 696 C3D HEM A 90 -1.922 8.598 -0.674 1.00 0.00 C HETATM 697 C4D HEM A 90 -1.572 7.199 -0.658 1.00 0.00 C HETATM 698 CMD HEM A 90 -0.633 10.817 -0.902 1.00 0.00 C HETATM 699 CAD HEM A 90 -3.319 9.173 -0.641 1.00 0.00 C HETATM 700 CBD HEM A 90 -3.826 9.466 -2.059 1.00 0.00 C HETATM 701 CGD HEM A 90 -5.009 8.642 -2.532 1.00 0.00 C HETATM 702 O1D HEM A 90 -5.692 9.153 -3.448 1.00 0.00 O HETATM 703 O2D HEM A 90 -5.148 7.489 -2.066 1.00 0.00 O HETATM 0 HMA1 HEM A 90 -3.632 1.305 1.030 1.00 0.00 H new HETATM 0 HMA2 HEM A 90 -2.045 0.570 0.701 1.00 0.00 H new HETATM 0 HMA3 HEM A 90 -3.226 0.763 -0.616 1.00 0.00 H new HETATM 0 HMB1 HEM A 90 3.014 -0.672 -1.655 1.00 0.00 H new HETATM 0 HMB2 HEM A 90 1.400 -0.470 -0.934 1.00 0.00 H new HETATM 0 HMB3 HEM A 90 2.856 -0.238 0.064 1.00 0.00 H new HETATM 0 HMC1 HEM A 90 6.400 7.580 -3.316 1.00 0.00 H new HETATM 0 HMC2 HEM A 90 6.190 5.813 -3.297 1.00 0.00 H new HETATM 0 HMC3 HEM A 90 6.673 6.667 -1.813 1.00 0.00 H new HETATM 0 HMD1 HEM A 90 -1.562 11.256 -1.266 1.00 0.00 H new HETATM 0 HMD2 HEM A 90 0.186 11.103 -1.562 1.00 0.00 H new HETATM 0 HMD3 HEM A 90 -0.431 11.180 0.106 1.00 0.00 H new HETATM 0 HBB1 HEM A 90 5.536 0.127 -4.069 1.00 0.00 H new HETATM 0 HBB2 HEM A 90 3.680 0.476 -4.089 1.00 0.00 H new HETATM 0 HBC1 HEM A 90 5.663 11.079 -2.952 1.00 0.00 H new HETATM 0 HBC2 HEM A 90 5.033 9.634 -3.991 1.00 0.00 H new HETATM 0 HBA1 HEM A 90 -3.740 5.167 2.184 1.00 0.00 H new HETATM 0 HBA2 HEM A 90 -4.018 3.499 2.645 1.00 0.00 H new HETATM 0 HAA1 HEM A 90 -4.923 2.967 0.436 1.00 0.00 H new HETATM 0 HAA2 HEM A 90 -4.907 4.655 -0.034 1.00 0.00 H new HETATM 0 HBD1 HEM A 90 -3.002 9.313 -2.756 1.00 0.00 H new HETATM 0 HBD2 HEM A 90 -4.099 10.520 -2.114 1.00 0.00 H new HETATM 0 HAD1 HEM A 90 -3.325 10.090 -0.052 1.00 0.00 H new HETATM 0 HAD2 HEM A 90 -3.993 8.473 -0.147 1.00 0.00 H new HETATM 0 HHA HEM A 90 -3.499 6.407 -0.216 1.00 0.00 H new HETATM 0 HHB HEM A 90 -0.047 0.964 -0.238 1.00 0.00 H new HETATM 0 HHC HEM A 90 4.933 4.227 -2.722 1.00 0.00 H new HETATM 0 HHD HEM A 90 1.905 9.736 -1.310 1.00 0.00 H new HETATM 0 HAB HEM A 90 5.759 1.615 -1.856 1.00 0.00 H new HETATM 0 HAC HEM A 90 4.769 9.856 -0.758 1.00 0.00 H new