USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=13 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= 2.41 K(o=0.84,f=-11!) USER MOD Set 1.2: A 90 HEM CMD :methyl -30:sc= -1.57 (180deg=-1.74) USER MOD Set 2.1: A 33 GLN : amide:sc= 1.86 K(o=4.9,f=-1.6!) USER MOD Set 2.2: A 87 ASN : amide:sc= 3.03 K(o=4.9,f=-1.6) USER MOD Set 3.1: A 53 GLN : amide:sc= 2.92 K(o=5.2,f=-9.6!) USER MOD Set 3.2: A 58 LYS NZ :NH3+ -156:sc= 2.27 (180deg=-0.324) USER MOD Single : A 1 GLU N :NH3+ 136:sc= 1.27 (180deg=-2.27!) USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 0.875 (180deg=-0.283) USER MOD Single : A 14 ASN : amide:sc= 1.05 X(o=1,f=0.7) USER MOD Single : A 25 ASN : amide:sc= 0.917 K(o=0.92,f=-0.03) USER MOD Single : A 30 HIS : no HE2:sc= -1.88 K(o=-1.9,f=-5.9!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 34 LYS NZ :NH3+ -115:sc= 0.891 (180deg=-3.15!) USER MOD Single : A 39 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 46 ASN : amide:sc= 1.95 K(o=1.9,f=-6.3!) USER MOD Single : A 52 TYR OH : rot 177:sc= 1.24 USER MOD Single : A 56 ASN : amide:sc= 0.931 K(o=0.93,f=-1.4) USER MOD Single : A 61 MET CE :methyl -169:sc= -0.671 (180deg=-0.712) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -1:sc= 1.13 USER MOD Single : A 83 GLN : amide:sc= 0.804 K(o=0.8,f=-0.27) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0.948 (180deg=0.948) USER MOD Single : A 90 HEM CMA :methyl -30:sc= -0.404 (180deg=-0.871) USER MOD Single : A 90 HEM CMB :methyl 150:sc= -0.928 (180deg=-0.928) USER MOD Single : A 90 HEM CMC :methyl -30:sc= -1.05 (180deg=-1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.921 -15.493 -5.402 1.00 0.00 N ATOM 2 CA GLU A 1 4.877 -15.701 -4.396 1.00 0.00 C ATOM 3 C GLU A 1 4.649 -14.381 -3.672 1.00 0.00 C ATOM 4 O GLU A 1 5.622 -13.712 -3.337 1.00 0.00 O ATOM 5 CB GLU A 1 5.227 -16.820 -3.399 1.00 0.00 C ATOM 6 CG GLU A 1 5.197 -18.231 -4.014 1.00 0.00 C ATOM 7 CD GLU A 1 6.507 -18.639 -4.679 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.924 -17.892 -5.590 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.066 -19.673 -4.261 1.00 0.00 O ATOM 0 H1 GLU A 1 6.590 -16.289 -5.377 1.00 0.00 H new ATOM 0 H2 GLU A 1 5.487 -15.435 -6.345 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.428 -14.608 -5.199 1.00 0.00 H new ATOM 0 HA GLU A 1 3.966 -16.026 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 1 6.220 -16.633 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.527 -16.782 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.956 -18.953 -3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.395 -18.279 -4.751 1.00 0.00 H new ATOM 10 N ALA A 2 3.387 -14.022 -3.408 1.00 0.00 N ATOM 11 CA ALA A 2 2.997 -12.799 -2.729 1.00 0.00 C ATOM 12 C ALA A 2 3.341 -12.849 -1.234 1.00 0.00 C ATOM 13 O ALA A 2 2.457 -12.781 -0.382 1.00 0.00 O ATOM 14 CB ALA A 2 1.500 -12.562 -2.958 1.00 0.00 C ATOM 0 H ALA A 2 2.589 -14.600 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 2 3.559 -11.962 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.195 -11.646 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.306 -12.469 -4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.933 -13.403 -2.558 1.00 0.00 H new ATOM 15 N ASP A 3 4.628 -12.996 -0.919 1.00 0.00 N ATOM 16 CA ASP A 3 5.130 -13.147 0.435 1.00 0.00 C ATOM 17 C ASP A 3 5.153 -11.797 1.163 1.00 0.00 C ATOM 18 O ASP A 3 5.286 -10.731 0.558 1.00 0.00 O ATOM 19 CB ASP A 3 6.498 -13.845 0.389 1.00 0.00 C ATOM 20 CG ASP A 3 7.344 -13.592 1.626 1.00 0.00 C ATOM 21 OD1 ASP A 3 6.817 -13.715 2.755 1.00 0.00 O ATOM 22 OD2 ASP A 3 8.495 -13.162 1.424 1.00 0.00 O ATOM 0 H ASP A 3 5.366 -13.013 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 3 4.461 -13.780 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.347 -14.918 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.043 -13.504 -0.491 1.00 0.00 H new ATOM 23 N LEU A 4 5.025 -11.873 2.485 1.00 0.00 N ATOM 24 CA LEU A 4 5.026 -10.746 3.391 1.00 0.00 C ATOM 25 C LEU A 4 6.446 -10.212 3.560 1.00 0.00 C ATOM 26 O LEU A 4 6.622 -9.003 3.668 1.00 0.00 O ATOM 27 CB LEU A 4 4.430 -11.151 4.744 1.00 0.00 C ATOM 28 CG LEU A 4 3.062 -11.847 4.646 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.502 -12.001 6.062 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.046 -11.079 3.792 1.00 0.00 C ATOM 0 H LEU A 4 4.913 -12.765 2.967 1.00 0.00 H new ATOM 0 HA LEU A 4 4.408 -9.953 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.128 -11.816 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.329 -10.261 5.365 1.00 0.00 H new ATOM 0 HG LEU A 4 3.219 -12.809 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.530 -12.493 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.186 -12.602 6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.390 -11.017 6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.104 -11.627 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.880 -10.092 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.431 -10.971 2.778 1.00 0.00 H new ATOM 31 N ALA A 5 7.467 -11.079 3.591 1.00 0.00 N ATOM 32 CA ALA A 5 8.848 -10.617 3.717 1.00 0.00 C ATOM 33 C ALA A 5 9.305 -9.944 2.420 1.00 0.00 C ATOM 34 O ALA A 5 9.880 -8.860 2.467 1.00 0.00 O ATOM 35 CB ALA A 5 9.773 -11.763 4.141 1.00 0.00 C ATOM 0 H ALA A 5 7.361 -12.092 3.531 1.00 0.00 H new ATOM 0 HA ALA A 5 8.899 -9.867 4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.795 -11.393 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.447 -12.157 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.736 -12.556 3.394 1.00 0.00 H new ATOM 36 N LEU A 6 9.014 -10.542 1.262 1.00 0.00 N ATOM 37 CA LEU A 6 9.157 -9.921 -0.039 1.00 0.00 C ATOM 38 C LEU A 6 8.445 -8.566 -0.015 1.00 0.00 C ATOM 39 O LEU A 6 9.061 -7.526 -0.248 1.00 0.00 O ATOM 40 CB LEU A 6 8.558 -10.880 -1.083 1.00 0.00 C ATOM 41 CG LEU A 6 8.581 -10.308 -2.502 1.00 0.00 C ATOM 42 CD1 LEU A 6 9.992 -10.332 -3.101 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.618 -11.080 -3.412 1.00 0.00 C ATOM 0 H LEU A 6 8.663 -11.498 1.212 1.00 0.00 H new ATOM 0 HA LEU A 6 10.200 -9.739 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.112 -11.819 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.529 -11.112 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 6 8.258 -9.269 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.966 -9.918 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.661 -9.736 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.353 -11.360 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.649 -10.658 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.915 -12.128 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.605 -11.004 -3.018 1.00 0.00 H new ATOM 44 N GLY A 7 7.145 -8.577 0.293 1.00 0.00 N ATOM 45 CA GLY A 7 6.352 -7.366 0.397 1.00 0.00 C ATOM 46 C GLY A 7 7.018 -6.325 1.295 1.00 0.00 C ATOM 47 O GLY A 7 7.089 -5.154 0.935 1.00 0.00 O ATOM 0 H GLY A 7 6.619 -9.432 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.201 -6.945 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.366 -7.610 0.793 1.00 0.00 H new ATOM 48 N LYS A 8 7.540 -6.737 2.451 1.00 0.00 N ATOM 49 CA LYS A 8 8.269 -5.851 3.329 1.00 0.00 C ATOM 50 C LYS A 8 9.479 -5.265 2.608 1.00 0.00 C ATOM 51 O LYS A 8 9.632 -4.053 2.558 1.00 0.00 O ATOM 52 CB LYS A 8 8.687 -6.574 4.615 1.00 0.00 C ATOM 53 CG LYS A 8 9.370 -5.533 5.497 1.00 0.00 C ATOM 54 CD LYS A 8 9.676 -6.037 6.906 1.00 0.00 C ATOM 55 CE LYS A 8 9.888 -4.874 7.891 1.00 0.00 C ATOM 56 NZ LYS A 8 10.617 -3.726 7.306 1.00 0.00 N ATOM 0 H LYS A 8 7.464 -7.694 2.795 1.00 0.00 H new ATOM 0 HA LYS A 8 7.611 -5.029 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.820 -7.000 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.364 -7.399 4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.299 -5.219 5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.733 -4.651 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.856 -6.665 7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.568 -6.662 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.917 -4.532 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.438 -5.239 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.888 -3.065 8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.472 -4.068 6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.004 -3.238 6.622 1.00 0.00 H new ATOM 57 N ALA A 9 10.358 -6.112 2.081 1.00 0.00 N ATOM 58 CA ALA A 9 11.556 -5.684 1.368 1.00 0.00 C ATOM 59 C ALA A 9 11.221 -4.623 0.314 1.00 0.00 C ATOM 60 O ALA A 9 11.893 -3.595 0.224 1.00 0.00 O ATOM 61 CB ALA A 9 12.255 -6.894 0.742 1.00 0.00 C ATOM 0 H ALA A 9 10.257 -7.125 2.138 1.00 0.00 H new ATOM 0 HA ALA A 9 12.241 -5.225 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.148 -6.564 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.537 -7.597 1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.578 -7.384 0.042 1.00 0.00 H new ATOM 62 N VAL A 10 10.160 -4.851 -0.465 1.00 0.00 N ATOM 63 CA VAL A 10 9.661 -3.864 -1.404 1.00 0.00 C ATOM 64 C VAL A 10 9.261 -2.593 -0.649 1.00 0.00 C ATOM 65 O VAL A 10 9.753 -1.511 -0.972 1.00 0.00 O ATOM 66 CB VAL A 10 8.490 -4.464 -2.196 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.899 -3.436 -3.161 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.929 -5.679 -3.018 1.00 0.00 C ATOM 0 H VAL A 10 9.631 -5.723 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 10 10.438 -3.589 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 10 7.744 -4.768 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.072 -3.886 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.536 -2.576 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.667 -3.113 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.074 -6.077 -3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.704 -5.380 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.322 -6.447 -2.351 1.00 0.00 H new ATOM 69 N PHE A 11 8.371 -2.722 0.339 1.00 0.00 N ATOM 70 CA PHE A 11 7.841 -1.626 1.142 1.00 0.00 C ATOM 71 C PHE A 11 8.952 -0.707 1.642 1.00 0.00 C ATOM 72 O PHE A 11 8.984 0.487 1.341 1.00 0.00 O ATOM 73 CB PHE A 11 7.020 -2.187 2.310 1.00 0.00 C ATOM 74 CG PHE A 11 6.335 -1.128 3.145 1.00 0.00 C ATOM 75 CD1 PHE A 11 5.109 -0.590 2.719 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.987 -0.587 4.268 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.583 0.545 3.357 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.430 0.515 4.938 1.00 0.00 C ATOM 79 CZ PHE A 11 5.239 1.094 4.472 1.00 0.00 C ATOM 0 H PHE A 11 7.988 -3.628 0.608 1.00 0.00 H new ATOM 0 HA PHE A 11 7.189 -1.022 0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.266 -2.869 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.676 -2.774 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.572 -1.049 1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.915 -1.018 4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.673 0.997 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.919 0.917 5.813 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.828 1.960 4.970 1.00 0.00 H new ATOM 80 N ASP A 12 9.871 -1.304 2.395 1.00 0.00 N ATOM 81 CA ASP A 12 11.054 -0.707 2.971 1.00 0.00 C ATOM 82 C ASP A 12 11.805 0.152 1.948 1.00 0.00 C ATOM 83 O ASP A 12 12.298 1.222 2.293 1.00 0.00 O ATOM 84 CB ASP A 12 11.947 -1.838 3.503 1.00 0.00 C ATOM 85 CG ASP A 12 11.407 -2.573 4.727 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.251 -2.338 5.149 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.157 -3.394 5.303 1.00 0.00 O ATOM 0 H ASP A 12 9.795 -2.293 2.632 1.00 0.00 H new ATOM 0 HA ASP A 12 10.768 -0.041 3.785 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.103 -2.563 2.704 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.924 -1.422 3.751 1.00 0.00 H new ATOM 88 N GLY A 13 11.907 -0.308 0.695 1.00 0.00 N ATOM 89 CA GLY A 13 12.639 0.409 -0.337 1.00 0.00 C ATOM 90 C GLY A 13 11.781 1.490 -0.992 1.00 0.00 C ATOM 91 O GLY A 13 12.258 2.592 -1.260 1.00 0.00 O ATOM 0 H GLY A 13 11.486 -1.181 0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.529 0.865 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.980 -0.295 -1.096 1.00 0.00 H new ATOM 92 N ASN A 14 10.533 1.148 -1.319 1.00 0.00 N ATOM 93 CA ASN A 14 9.735 1.861 -2.313 1.00 0.00 C ATOM 94 C ASN A 14 8.682 2.765 -1.680 1.00 0.00 C ATOM 95 O ASN A 14 8.346 3.811 -2.233 1.00 0.00 O ATOM 96 CB ASN A 14 9.039 0.853 -3.238 1.00 0.00 C ATOM 97 CG ASN A 14 10.027 0.108 -4.129 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.276 0.511 -5.260 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.596 -0.984 -3.630 1.00 0.00 N ATOM 0 H ASN A 14 10.045 0.359 -0.895 1.00 0.00 H new ATOM 0 HA ASN A 14 10.420 2.494 -2.878 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.483 0.135 -2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.314 1.376 -3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.262 -1.514 -4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.367 -1.292 -2.685 1.00 0.00 H new ATOM 100 N CYS A 15 8.104 2.317 -0.567 1.00 0.00 N ATOM 101 CA CYS A 15 6.850 2.823 -0.026 1.00 0.00 C ATOM 102 C CYS A 15 7.135 3.633 1.237 1.00 0.00 C ATOM 103 O CYS A 15 6.591 4.724 1.425 1.00 0.00 O ATOM 104 CB CYS A 15 5.939 1.660 0.281 1.00 0.00 C ATOM 105 SG CYS A 15 5.767 0.468 -1.088 1.00 0.00 S ATOM 0 H CYS A 15 8.509 1.570 -0.003 1.00 0.00 H new ATOM 0 HA CYS A 15 6.360 3.471 -0.753 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.319 1.137 1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.952 2.044 0.541 1.00 0.00 H new ATOM 106 N ALA A 16 8.033 3.111 2.082 1.00 0.00 N ATOM 107 CA ALA A 16 8.523 3.762 3.292 1.00 0.00 C ATOM 108 C ALA A 16 8.857 5.237 3.055 1.00 0.00 C ATOM 109 O ALA A 16 8.595 6.072 3.917 1.00 0.00 O ATOM 110 CB ALA A 16 9.751 3.006 3.805 1.00 0.00 C ATOM 0 H ALA A 16 8.449 2.192 1.932 1.00 0.00 H new ATOM 0 HA ALA A 16 7.732 3.735 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.123 3.487 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.476 1.975 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.530 3.016 3.042 1.00 0.00 H new ATOM 111 N ALA A 17 9.396 5.549 1.870 1.00 0.00 N ATOM 112 CA ALA A 17 9.639 6.903 1.386 1.00 0.00 C ATOM 113 C ALA A 17 8.524 7.883 1.770 1.00 0.00 C ATOM 114 O ALA A 17 8.813 8.992 2.214 1.00 0.00 O ATOM 115 CB ALA A 17 9.806 6.870 -0.138 1.00 0.00 C ATOM 0 H ALA A 17 9.684 4.835 1.201 1.00 0.00 H new ATOM 0 HA ALA A 17 10.550 7.264 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.988 7.880 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.650 6.231 -0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.899 6.475 -0.595 1.00 0.00 H new ATOM 116 N CYS A 18 7.262 7.480 1.577 1.00 0.00 N ATOM 117 CA CYS A 18 6.094 8.309 1.864 1.00 0.00 C ATOM 118 C CYS A 18 5.290 7.767 3.048 1.00 0.00 C ATOM 119 O CYS A 18 4.525 8.526 3.640 1.00 0.00 O ATOM 120 CB CYS A 18 5.211 8.407 0.648 1.00 0.00 C ATOM 121 SG CYS A 18 6.013 9.345 -0.684 1.00 0.00 S ATOM 0 H CYS A 18 7.025 6.557 1.213 1.00 0.00 H new ATOM 0 HA CYS A 18 6.456 9.302 2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.967 7.406 0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.271 8.888 0.918 1.00 0.00 H new ATOM 122 N HIS A 19 5.420 6.473 3.371 1.00 0.00 N ATOM 123 CA HIS A 19 4.576 5.797 4.353 1.00 0.00 C ATOM 124 C HIS A 19 5.346 5.155 5.509 1.00 0.00 C ATOM 125 O HIS A 19 4.750 4.343 6.206 1.00 0.00 O ATOM 126 CB HIS A 19 3.744 4.729 3.638 1.00 0.00 C ATOM 127 CG HIS A 19 2.794 5.286 2.617 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.656 6.006 2.894 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.784 4.980 1.285 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.967 6.120 1.746 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.610 5.505 0.740 1.00 0.00 N ATOM 0 H HIS A 19 6.122 5.864 2.951 1.00 0.00 H new ATOM 0 HA HIS A 19 3.946 6.564 4.803 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.417 4.024 3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.177 4.166 4.380 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.385 6.383 3.802 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.546 4.432 0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.024 6.636 1.646 1.00 0.00 H new ATOM 132 N ALA A 20 6.617 5.500 5.739 1.00 0.00 N ATOM 133 CA ALA A 20 7.489 5.009 6.814 1.00 0.00 C ATOM 134 C ALA A 20 6.906 3.891 7.701 1.00 0.00 C ATOM 135 O ALA A 20 7.183 2.720 7.459 1.00 0.00 O ATOM 136 CB ALA A 20 7.995 6.200 7.629 1.00 0.00 C ATOM 0 H ALA A 20 7.096 6.173 5.141 1.00 0.00 H new ATOM 0 HA ALA A 20 8.322 4.505 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.643 5.844 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.556 6.873 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.147 6.733 8.059 1.00 0.00 H new ATOM 137 N GLY A 21 6.100 4.239 8.715 1.00 0.00 N ATOM 138 CA GLY A 21 5.427 3.283 9.597 1.00 0.00 C ATOM 139 C GLY A 21 3.918 3.278 9.349 1.00 0.00 C ATOM 140 O GLY A 21 3.132 3.577 10.242 1.00 0.00 O ATOM 0 H GLY A 21 5.896 5.211 8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.830 2.284 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.627 3.539 10.637 1.00 0.00 H new ATOM 141 N GLY A 22 3.512 3.003 8.107 1.00 0.00 N ATOM 142 CA GLY A 22 2.144 3.191 7.638 1.00 0.00 C ATOM 143 C GLY A 22 1.755 4.673 7.589 1.00 0.00 C ATOM 144 O GLY A 22 0.574 5.006 7.474 1.00 0.00 O ATOM 0 H GLY A 22 4.138 2.637 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.038 2.755 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.458 2.657 8.296 1.00 0.00 H new ATOM 145 N GLY A 23 2.746 5.562 7.679 1.00 0.00 N ATOM 146 CA GLY A 23 2.584 6.956 8.043 1.00 0.00 C ATOM 147 C GLY A 23 2.643 7.855 6.825 1.00 0.00 C ATOM 148 O GLY A 23 3.703 8.391 6.521 1.00 0.00 O ATOM 0 H GLY A 23 3.717 5.313 7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.630 7.092 8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.365 7.243 8.747 1.00 0.00 H new ATOM 149 N ASN A 24 1.507 8.009 6.142 1.00 0.00 N ATOM 150 CA ASN A 24 1.358 8.901 4.998 1.00 0.00 C ATOM 151 C ASN A 24 1.922 10.293 5.299 1.00 0.00 C ATOM 152 O ASN A 24 1.319 11.057 6.047 1.00 0.00 O ATOM 153 CB ASN A 24 -0.108 8.999 4.608 1.00 0.00 C ATOM 154 CG ASN A 24 -0.240 9.602 3.214 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.466 10.533 2.831 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.108 9.000 2.420 1.00 0.00 N ATOM 0 H ASN A 24 0.651 7.506 6.376 1.00 0.00 H new ATOM 0 HA ASN A 24 1.926 8.486 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.565 8.010 4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.644 9.614 5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.210 9.304 1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.676 8.231 2.775 1.00 0.00 H new ATOM 157 N ASN A 25 3.067 10.635 4.712 1.00 0.00 N ATOM 158 CA ASN A 25 3.716 11.922 4.926 1.00 0.00 C ATOM 159 C ASN A 25 3.039 13.020 4.099 1.00 0.00 C ATOM 160 O ASN A 25 3.154 14.196 4.438 1.00 0.00 O ATOM 161 CB ASN A 25 5.213 11.795 4.596 1.00 0.00 C ATOM 162 CG ASN A 25 6.119 12.811 5.297 1.00 0.00 C ATOM 163 OD1 ASN A 25 7.221 12.468 5.710 1.00 0.00 O ATOM 164 ND2 ASN A 25 5.707 14.066 5.454 1.00 0.00 N ATOM 0 H ASN A 25 3.572 10.022 4.071 1.00 0.00 H new ATOM 0 HA ASN A 25 3.616 12.211 5.972 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.544 10.791 4.862 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.342 11.898 3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.309 14.746 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.790 14.348 5.109 1.00 0.00 H new ATOM 165 N VAL A 26 2.359 12.666 3.004 1.00 0.00 N ATOM 166 CA VAL A 26 1.808 13.642 2.072 1.00 0.00 C ATOM 167 C VAL A 26 0.449 14.135 2.579 1.00 0.00 C ATOM 168 O VAL A 26 0.235 15.337 2.707 1.00 0.00 O ATOM 169 CB VAL A 26 1.735 13.028 0.664 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.196 14.036 -0.359 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.123 12.561 0.201 1.00 0.00 C ATOM 0 H VAL A 26 2.178 11.697 2.743 1.00 0.00 H new ATOM 0 HA VAL A 26 2.458 14.515 2.008 1.00 0.00 H new ATOM 0 HB VAL A 26 1.057 12.177 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.157 13.570 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.194 14.351 -0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.853 14.905 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.048 12.130 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.804 13.412 0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.504 11.809 0.893 1.00 0.00 H new ATOM 172 N ILE A 27 -0.466 13.203 2.860 1.00 0.00 N ATOM 173 CA ILE A 27 -1.788 13.466 3.417 1.00 0.00 C ATOM 174 C ILE A 27 -1.824 12.792 4.797 1.00 0.00 C ATOM 175 O ILE A 27 -2.081 11.590 4.863 1.00 0.00 O ATOM 176 CB ILE A 27 -2.881 12.949 2.459 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.690 13.553 1.053 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.266 13.316 3.013 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.816 13.197 0.079 1.00 0.00 C ATOM 0 H ILE A 27 -0.297 12.210 2.699 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.983 14.532 3.534 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.803 11.865 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.623 14.638 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.742 13.206 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.038 12.950 2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.398 12.859 3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.346 14.399 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.617 13.655 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.870 12.114 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.764 13.568 0.468 1.00 0.00 H new ATOM 180 N PRO A 28 -1.521 13.530 5.883 1.00 0.00 N ATOM 181 CA PRO A 28 -1.219 13.001 7.210 1.00 0.00 C ATOM 182 C PRO A 28 -2.094 11.839 7.681 1.00 0.00 C ATOM 183 O PRO A 28 -1.585 10.852 8.205 1.00 0.00 O ATOM 184 CB PRO A 28 -1.339 14.197 8.156 1.00 0.00 C ATOM 185 CG PRO A 28 -0.845 15.348 7.285 1.00 0.00 C ATOM 186 CD PRO A 28 -1.378 14.981 5.899 1.00 0.00 C ATOM 0 HA PRO A 28 -0.224 12.555 7.189 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.365 14.351 8.490 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.728 14.072 9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.233 16.308 7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.242 15.423 7.293 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.335 15.467 5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.692 15.312 5.119 1.00 0.00 H new ATOM 187 N ASP A 29 -3.409 11.988 7.544 1.00 0.00 N ATOM 188 CA ASP A 29 -4.424 11.087 8.062 1.00 0.00 C ATOM 189 C ASP A 29 -4.696 9.914 7.116 1.00 0.00 C ATOM 190 O ASP A 29 -5.262 8.906 7.543 1.00 0.00 O ATOM 191 CB ASP A 29 -5.705 11.895 8.304 1.00 0.00 C ATOM 192 CG ASP A 29 -6.216 12.560 7.028 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.399 13.285 6.411 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.399 12.337 6.703 1.00 0.00 O ATOM 0 H ASP A 29 -3.811 12.781 7.043 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.065 10.652 8.995 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.477 11.238 8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.514 12.658 9.058 1.00 0.00 H new ATOM 195 N HIS A 30 -4.277 9.989 5.851 1.00 0.00 N ATOM 196 CA HIS A 30 -4.581 8.971 4.851 1.00 0.00 C ATOM 197 C HIS A 30 -3.542 7.840 4.950 1.00 0.00 C ATOM 198 O HIS A 30 -2.882 7.481 3.971 1.00 0.00 O ATOM 199 CB HIS A 30 -4.668 9.674 3.488 1.00 0.00 C ATOM 200 CG HIS A 30 -5.461 8.968 2.419 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.433 7.626 2.129 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.248 9.567 1.470 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.150 7.434 1.008 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.659 8.590 0.563 1.00 0.00 N ATOM 0 H HIS A 30 -3.715 10.762 5.493 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.542 8.482 5.011 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.104 10.662 3.640 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.654 9.826 3.117 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.954 6.904 2.668 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.506 10.615 1.431 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.296 6.476 0.531 1.00 0.00 H new ATOM 205 N THR A 31 -3.370 7.324 6.172 1.00 0.00 N ATOM 206 CA THR A 31 -2.357 6.361 6.585 1.00 0.00 C ATOM 207 C THR A 31 -2.694 4.955 6.090 1.00 0.00 C ATOM 208 O THR A 31 -3.841 4.679 5.764 1.00 0.00 O ATOM 209 CB THR A 31 -2.308 6.371 8.119 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.617 6.225 8.639 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.744 7.689 8.651 1.00 0.00 C ATOM 0 H THR A 31 -3.978 7.589 6.947 1.00 0.00 H new ATOM 0 HA THR A 31 -1.393 6.637 6.157 1.00 0.00 H new ATOM 0 HB THR A 31 -1.665 5.548 8.430 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.582 6.230 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.723 7.662 9.740 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.732 7.831 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.374 8.514 8.320 1.00 0.00 H new ATOM 212 N LEU A 32 -1.743 4.018 6.137 1.00 0.00 N ATOM 213 CA LEU A 32 -1.995 2.634 5.734 1.00 0.00 C ATOM 214 C LEU A 32 -2.722 1.846 6.836 1.00 0.00 C ATOM 215 O LEU A 32 -2.364 0.709 7.141 1.00 0.00 O ATOM 216 CB LEU A 32 -0.675 1.961 5.332 1.00 0.00 C ATOM 217 CG LEU A 32 0.146 2.758 4.304 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.306 1.893 3.807 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.691 3.171 3.093 1.00 0.00 C ATOM 0 H LEU A 32 -0.789 4.195 6.451 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.658 2.640 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.070 1.809 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.892 0.975 4.922 1.00 0.00 H new ATOM 0 HG LEU A 32 0.504 3.660 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.891 2.453 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.942 1.618 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.913 0.990 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.069 3.731 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.080 2.281 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.522 3.796 3.421 1.00 0.00 H new ATOM 220 N GLN A 33 -3.749 2.451 7.436 1.00 0.00 N ATOM 221 CA GLN A 33 -4.545 1.870 8.506 1.00 0.00 C ATOM 222 C GLN A 33 -5.771 1.197 7.910 1.00 0.00 C ATOM 223 O GLN A 33 -6.315 1.681 6.920 1.00 0.00 O ATOM 224 CB GLN A 33 -4.994 2.974 9.478 1.00 0.00 C ATOM 225 CG GLN A 33 -4.202 2.938 10.787 1.00 0.00 C ATOM 226 CD GLN A 33 -4.473 1.668 11.590 1.00 0.00 C ATOM 227 OE1 GLN A 33 -5.345 0.873 11.234 1.00 0.00 O ATOM 228 NE2 GLN A 33 -3.725 1.456 12.667 1.00 0.00 N ATOM 0 H GLN A 33 -4.055 3.389 7.178 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.946 1.136 9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.869 3.948 9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.056 2.858 9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.137 3.006 10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.460 3.809 11.390 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.012 2.134 12.934 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.864 0.615 13.227 1.00 0.00 H new ATOM 229 N LYS A 34 -6.262 0.138 8.562 1.00 0.00 N ATOM 230 CA LYS A 34 -7.503 -0.508 8.175 1.00 0.00 C ATOM 231 C LYS A 34 -8.592 0.550 8.018 1.00 0.00 C ATOM 232 O LYS A 34 -9.136 0.747 6.938 1.00 0.00 O ATOM 233 CB LYS A 34 -7.873 -1.538 9.236 1.00 0.00 C ATOM 234 CG LYS A 34 -9.100 -2.319 8.768 1.00 0.00 C ATOM 235 CD LYS A 34 -9.465 -3.332 9.845 1.00 0.00 C ATOM 236 CE LYS A 34 -10.663 -4.197 9.420 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.906 -3.418 9.220 1.00 0.00 N ATOM 0 H LYS A 34 -5.806 -0.288 9.369 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.391 -1.022 7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.038 -2.217 9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.082 -1.043 10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.934 -1.641 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.890 -2.826 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.607 -3.972 10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.702 -2.810 10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.416 -4.718 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.839 -4.960 10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.613 -3.706 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.701 -2.404 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.278 -3.596 8.265 1.00 0.00 H new ATOM 238 N ALA A 35 -8.864 1.263 9.110 1.00 0.00 N ATOM 239 CA ALA A 35 -9.874 2.311 9.157 1.00 0.00 C ATOM 240 C ALA A 35 -9.665 3.378 8.077 1.00 0.00 C ATOM 241 O ALA A 35 -10.629 3.969 7.589 1.00 0.00 O ATOM 242 CB ALA A 35 -9.863 2.951 10.547 1.00 0.00 C ATOM 0 H ALA A 35 -8.381 1.125 9.997 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.843 1.854 8.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.617 3.737 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.085 2.193 11.298 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.880 3.379 10.743 1.00 0.00 H new ATOM 243 N ALA A 36 -8.411 3.664 7.718 1.00 0.00 N ATOM 244 CA ALA A 36 -8.104 4.727 6.773 1.00 0.00 C ATOM 245 C ALA A 36 -8.402 4.228 5.363 1.00 0.00 C ATOM 246 O ALA A 36 -9.072 4.909 4.594 1.00 0.00 O ATOM 247 CB ALA A 36 -6.648 5.155 6.939 1.00 0.00 C ATOM 0 H ALA A 36 -7.593 3.169 8.072 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.722 5.605 6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.420 5.951 6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.489 5.517 7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.995 4.303 6.750 1.00 0.00 H new ATOM 248 N ILE A 37 -8.006 2.986 5.080 1.00 0.00 N ATOM 249 CA ILE A 37 -8.437 2.293 3.881 1.00 0.00 C ATOM 250 C ILE A 37 -9.960 2.294 3.791 1.00 0.00 C ATOM 251 O ILE A 37 -10.512 2.732 2.785 1.00 0.00 O ATOM 252 CB ILE A 37 -7.819 0.883 3.841 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.480 0.905 3.102 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.728 -0.139 3.160 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.438 0.022 3.796 1.00 0.00 C ATOM 0 H ILE A 37 -7.382 2.442 5.675 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.079 2.816 2.994 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.680 0.583 4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.624 0.562 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.111 1.929 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.242 -1.115 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.672 -0.203 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.919 0.171 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.500 0.063 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.276 0.381 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.796 -1.007 3.828 1.00 0.00 H new ATOM 256 N GLU A 38 -10.650 1.790 4.812 1.00 0.00 N ATOM 257 CA GLU A 38 -12.076 1.560 4.706 1.00 0.00 C ATOM 258 C GLU A 38 -12.851 2.854 4.440 1.00 0.00 C ATOM 259 O GLU A 38 -13.867 2.827 3.750 1.00 0.00 O ATOM 260 CB GLU A 38 -12.568 0.801 5.945 1.00 0.00 C ATOM 261 CG GLU A 38 -11.980 -0.614 5.890 1.00 0.00 C ATOM 262 CD GLU A 38 -12.346 -1.500 7.067 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.230 -1.049 8.229 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.607 -2.704 6.846 1.00 0.00 O ATOM 0 H GLU A 38 -10.243 1.537 5.712 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.270 0.934 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.253 1.311 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.657 0.762 5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.315 -1.096 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.894 -0.539 5.833 1.00 0.00 H new ATOM 265 N GLN A 39 -12.367 3.981 4.967 1.00 0.00 N ATOM 266 CA GLN A 39 -12.877 5.294 4.610 1.00 0.00 C ATOM 267 C GLN A 39 -12.457 5.685 3.191 1.00 0.00 C ATOM 268 O GLN A 39 -13.301 5.919 2.328 1.00 0.00 O ATOM 269 CB GLN A 39 -12.347 6.315 5.621 1.00 0.00 C ATOM 270 CG GLN A 39 -13.010 6.102 6.979 1.00 0.00 C ATOM 271 CD GLN A 39 -12.369 6.973 8.050 1.00 0.00 C ATOM 272 OE1 GLN A 39 -12.923 7.987 8.460 1.00 0.00 O ATOM 273 NE2 GLN A 39 -11.192 6.571 8.517 1.00 0.00 N ATOM 0 H GLN A 39 -11.611 4.002 5.652 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.967 5.273 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.266 6.216 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.545 7.326 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.073 6.333 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.930 5.053 7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.761 5.722 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.719 7.112 9.241 1.00 0.00 H new ATOM 274 N PHE A 40 -11.151 5.846 2.984 1.00 0.00 N ATOM 275 CA PHE A 40 -10.611 6.577 1.845 1.00 0.00 C ATOM 276 C PHE A 40 -10.513 5.731 0.572 1.00 0.00 C ATOM 277 O PHE A 40 -10.781 6.246 -0.512 1.00 0.00 O ATOM 278 CB PHE A 40 -9.258 7.204 2.218 1.00 0.00 C ATOM 279 CG PHE A 40 -9.275 8.073 3.464 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.172 9.154 3.560 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.334 7.857 4.488 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.139 10.001 4.681 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.319 8.690 5.621 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.210 9.772 5.709 1.00 0.00 C ATOM 0 H PHE A 40 -10.436 5.470 3.607 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.317 7.373 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.531 6.404 2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.909 7.806 1.378 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.887 9.333 2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.622 7.050 4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.829 10.829 4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.622 8.498 6.423 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.181 10.428 6.567 1.00 0.00 H new ATOM 285 N LEU A 41 -10.105 4.462 0.664 1.00 0.00 N ATOM 286 CA LEU A 41 -9.912 3.613 -0.499 1.00 0.00 C ATOM 287 C LEU A 41 -11.215 3.435 -1.280 1.00 0.00 C ATOM 288 O LEU A 41 -12.156 2.806 -0.789 1.00 0.00 O ATOM 289 CB LEU A 41 -9.364 2.242 -0.063 1.00 0.00 C ATOM 290 CG LEU A 41 -8.327 1.643 -1.021 1.00 0.00 C ATOM 291 CD1 LEU A 41 -8.695 1.747 -2.505 1.00 0.00 C ATOM 292 CD2 LEU A 41 -6.994 2.335 -0.745 1.00 0.00 C ATOM 0 H LEU A 41 -9.901 4.001 1.551 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.191 4.098 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.914 2.341 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.197 1.545 0.034 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.276 0.571 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.905 1.298 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.632 1.221 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.809 2.796 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.230 1.932 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.098 3.406 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.701 2.161 0.290 1.00 0.00 H new ATOM 293 N ASP A 42 -11.235 3.899 -2.531 1.00 0.00 N ATOM 294 CA ASP A 42 -12.254 3.622 -3.532 1.00 0.00 C ATOM 295 C ASP A 42 -12.211 2.137 -3.920 1.00 0.00 C ATOM 296 O ASP A 42 -11.868 1.781 -5.044 1.00 0.00 O ATOM 297 CB ASP A 42 -12.036 4.564 -4.736 1.00 0.00 C ATOM 298 CG ASP A 42 -10.621 4.526 -5.312 1.00 0.00 C ATOM 299 OD1 ASP A 42 -9.653 4.639 -4.525 1.00 0.00 O ATOM 300 OD2 ASP A 42 -10.471 4.406 -6.546 1.00 0.00 O ATOM 0 H ASP A 42 -10.500 4.510 -2.887 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.252 3.813 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.744 4.300 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.265 5.585 -4.430 1.00 0.00 H new ATOM 301 N GLY A 43 -12.539 1.258 -2.969 1.00 0.00 N ATOM 302 CA GLY A 43 -12.348 -0.170 -3.093 1.00 0.00 C ATOM 303 C GLY A 43 -12.664 -0.933 -1.802 1.00 0.00 C ATOM 304 O GLY A 43 -13.228 -2.024 -1.865 1.00 0.00 O ATOM 0 H GLY A 43 -12.952 1.535 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.982 -0.547 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.316 -0.369 -3.382 1.00 0.00 H new ATOM 305 N GLY A 44 -12.306 -0.386 -0.633 1.00 0.00 N ATOM 306 CA GLY A 44 -12.540 -1.025 0.656 1.00 0.00 C ATOM 307 C GLY A 44 -11.379 -1.933 1.071 1.00 0.00 C ATOM 308 O GLY A 44 -10.394 -2.084 0.349 1.00 0.00 O ATOM 0 H GLY A 44 -11.843 0.520 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.690 -0.259 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.458 -1.611 0.608 1.00 0.00 H new ATOM 309 N PHE A 45 -11.485 -2.527 2.263 1.00 0.00 N ATOM 310 CA PHE A 45 -10.429 -3.358 2.841 1.00 0.00 C ATOM 311 C PHE A 45 -10.356 -4.729 2.169 1.00 0.00 C ATOM 312 O PHE A 45 -10.698 -5.748 2.772 1.00 0.00 O ATOM 313 CB PHE A 45 -10.570 -3.473 4.367 1.00 0.00 C ATOM 314 CG PHE A 45 -9.344 -4.024 5.071 1.00 0.00 C ATOM 315 CD1 PHE A 45 -8.170 -3.252 5.108 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.355 -5.298 5.671 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.982 -3.793 5.614 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.181 -5.810 6.253 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.983 -5.073 6.190 1.00 0.00 C ATOM 0 H PHE A 45 -12.311 -2.443 2.856 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.480 -2.858 2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.795 -2.487 4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.422 -4.114 4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.184 -2.235 4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.264 -5.881 5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.065 -3.225 5.561 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.199 -6.769 6.749 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.068 -5.491 6.583 1.00 0.00 H new ATOM 320 N ASN A 46 -9.856 -4.767 0.935 1.00 0.00 N ATOM 321 CA ASN A 46 -9.583 -6.001 0.201 1.00 0.00 C ATOM 322 C ASN A 46 -8.275 -5.864 -0.566 1.00 0.00 C ATOM 323 O ASN A 46 -7.872 -4.759 -0.925 1.00 0.00 O ATOM 324 CB ASN A 46 -10.731 -6.377 -0.741 1.00 0.00 C ATOM 325 CG ASN A 46 -11.232 -5.202 -1.568 1.00 0.00 C ATOM 326 OD1 ASN A 46 -10.681 -4.892 -2.617 1.00 0.00 O ATOM 327 ND2 ASN A 46 -12.272 -4.526 -1.085 1.00 0.00 N ATOM 0 H ASN A 46 -9.625 -3.925 0.408 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.492 -6.810 0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.399 -7.170 -1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.557 -6.780 -0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.636 -3.720 -1.592 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.705 -4.815 -0.208 1.00 0.00 H new ATOM 328 N ILE A 47 -7.603 -6.996 -0.794 1.00 0.00 N ATOM 329 CA ILE A 47 -6.334 -7.058 -1.490 1.00 0.00 C ATOM 330 C ILE A 47 -6.483 -6.361 -2.838 1.00 0.00 C ATOM 331 O ILE A 47 -5.635 -5.555 -3.205 1.00 0.00 O ATOM 332 CB ILE A 47 -5.923 -8.536 -1.630 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.572 -9.183 -0.276 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.775 -8.710 -2.625 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.197 -8.776 0.266 1.00 0.00 C ATOM 0 H ILE A 47 -7.941 -7.909 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.546 -6.546 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.796 -9.058 -2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.335 -8.912 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.604 -10.267 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.513 -9.766 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.084 -8.345 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.909 -8.143 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.021 -9.271 1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.424 -9.072 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.167 -7.696 0.406 1.00 0.00 H new ATOM 336 N GLU A 48 -7.567 -6.652 -3.555 1.00 0.00 N ATOM 337 CA GLU A 48 -7.854 -6.106 -4.871 1.00 0.00 C ATOM 338 C GLU A 48 -7.665 -4.590 -4.862 1.00 0.00 C ATOM 339 O GLU A 48 -6.813 -4.051 -5.564 1.00 0.00 O ATOM 340 CB GLU A 48 -9.268 -6.476 -5.316 1.00 0.00 C ATOM 341 CG GLU A 48 -9.638 -7.957 -5.193 1.00 0.00 C ATOM 342 CD GLU A 48 -10.099 -8.389 -3.803 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.210 -8.670 -2.967 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.327 -8.396 -3.582 1.00 0.00 O ATOM 0 H GLU A 48 -8.288 -7.293 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.156 -6.539 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.978 -5.893 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.392 -6.175 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.430 -8.180 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.774 -8.558 -5.477 1.00 0.00 H new ATOM 345 N ALA A 49 -8.461 -3.923 -4.029 1.00 0.00 N ATOM 346 CA ALA A 49 -8.392 -2.489 -3.777 1.00 0.00 C ATOM 347 C ALA A 49 -6.963 -2.014 -3.487 1.00 0.00 C ATOM 348 O ALA A 49 -6.508 -1.032 -4.077 1.00 0.00 O ATOM 349 CB ALA A 49 -9.314 -2.127 -2.614 1.00 0.00 C ATOM 0 H ALA A 49 -9.197 -4.384 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.719 -1.980 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.261 -1.054 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.339 -2.401 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.001 -2.667 -1.720 1.00 0.00 H new ATOM 350 N ILE A 50 -6.250 -2.683 -2.574 1.00 0.00 N ATOM 351 CA ILE A 50 -4.876 -2.318 -2.277 1.00 0.00 C ATOM 352 C ILE A 50 -4.041 -2.364 -3.559 1.00 0.00 C ATOM 353 O ILE A 50 -3.469 -1.349 -3.961 1.00 0.00 O ATOM 354 CB ILE A 50 -4.303 -3.228 -1.174 1.00 0.00 C ATOM 355 CG1 ILE A 50 -5.056 -3.150 0.165 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.827 -2.906 -0.964 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.265 -1.740 0.718 1.00 0.00 C ATOM 0 H ILE A 50 -6.606 -3.473 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.843 -1.297 -1.895 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.431 -4.252 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.031 -3.622 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.509 -3.735 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.422 -3.550 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.282 -3.075 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.721 -1.863 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.805 -1.796 1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.297 -1.266 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.842 -1.151 0.005 1.00 0.00 H new ATOM 358 N VAL A 51 -3.970 -3.532 -4.202 1.00 0.00 N ATOM 359 CA VAL A 51 -3.191 -3.751 -5.400 1.00 0.00 C ATOM 360 C VAL A 51 -3.504 -2.642 -6.409 1.00 0.00 C ATOM 361 O VAL A 51 -2.606 -1.963 -6.895 1.00 0.00 O ATOM 362 CB VAL A 51 -3.517 -5.150 -5.960 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.754 -5.361 -7.258 1.00 0.00 C ATOM 364 CG2 VAL A 51 -3.093 -6.295 -5.031 1.00 0.00 C ATOM 0 H VAL A 51 -4.468 -4.365 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.123 -3.715 -5.184 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.599 -5.174 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.982 -6.349 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.049 -4.601 -7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.684 -5.285 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.353 -7.250 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.016 -6.252 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.608 -6.198 -4.075 1.00 0.00 H new ATOM 365 N TYR A 52 -4.793 -2.436 -6.678 1.00 0.00 N ATOM 366 CA TYR A 52 -5.322 -1.382 -7.528 1.00 0.00 C ATOM 367 C TYR A 52 -4.731 -0.008 -7.184 1.00 0.00 C ATOM 368 O TYR A 52 -4.290 0.700 -8.085 1.00 0.00 O ATOM 369 CB TYR A 52 -6.853 -1.432 -7.426 1.00 0.00 C ATOM 370 CG TYR A 52 -7.617 -0.178 -7.787 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.892 0.130 -9.133 1.00 0.00 C ATOM 372 CD2 TYR A 52 -8.230 0.566 -6.764 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.742 1.206 -9.448 1.00 0.00 C ATOM 374 CE2 TYR A 52 -9.131 1.592 -7.082 1.00 0.00 C ATOM 375 CZ TYR A 52 -9.374 1.928 -8.423 1.00 0.00 C ATOM 376 OH TYR A 52 -10.174 2.988 -8.729 1.00 0.00 O ATOM 0 H TYR A 52 -5.526 -3.029 -6.289 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.028 -1.545 -8.565 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.207 -2.238 -8.068 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.114 -1.702 -6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.451 -0.459 -9.923 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.006 0.347 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.909 1.477 -10.480 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.640 2.126 -6.293 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.572 3.346 -7.908 1.00 0.00 H new ATOM 377 N GLN A 53 -4.697 0.387 -5.907 1.00 0.00 N ATOM 378 CA GLN A 53 -4.099 1.665 -5.519 1.00 0.00 C ATOM 379 C GLN A 53 -2.631 1.699 -5.959 1.00 0.00 C ATOM 380 O GLN A 53 -2.215 2.611 -6.674 1.00 0.00 O ATOM 381 CB GLN A 53 -4.278 1.902 -4.008 1.00 0.00 C ATOM 382 CG GLN A 53 -3.555 3.151 -3.477 1.00 0.00 C ATOM 383 CD GLN A 53 -4.141 4.486 -3.923 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.278 4.549 -4.391 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.363 5.554 -3.769 1.00 0.00 N ATOM 0 H GLN A 53 -5.074 -0.157 -5.131 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.608 2.486 -6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.342 1.991 -3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.913 1.028 -3.469 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.560 3.117 -2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.512 3.108 -3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.427 5.451 -3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.702 6.476 -4.044 1.00 0.00 H new ATOM 386 N ILE A 54 -1.855 0.699 -5.532 1.00 0.00 N ATOM 387 CA ILE A 54 -0.432 0.590 -5.846 1.00 0.00 C ATOM 388 C ILE A 54 -0.194 0.609 -7.359 1.00 0.00 C ATOM 389 O ILE A 54 0.721 1.277 -7.836 1.00 0.00 O ATOM 390 CB ILE A 54 0.152 -0.668 -5.168 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.478 -0.430 -3.683 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.460 -1.129 -5.823 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.760 -0.449 -2.793 1.00 0.00 C ATOM 0 H ILE A 54 -2.203 -0.065 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 54 0.093 1.458 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.624 -1.425 -5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.176 -1.195 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.981 0.531 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.831 -2.017 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.278 -1.365 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.202 -0.334 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.467 -0.276 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.449 0.334 -3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.251 -1.419 -2.873 1.00 0.00 H new ATOM 394 N GLU A 55 -1.001 -0.139 -8.105 1.00 0.00 N ATOM 395 CA GLU A 55 -0.871 -0.296 -9.539 1.00 0.00 C ATOM 396 C GLU A 55 -0.911 1.077 -10.215 1.00 0.00 C ATOM 397 O GLU A 55 0.126 1.592 -10.638 1.00 0.00 O ATOM 398 CB GLU A 55 -1.977 -1.245 -10.015 1.00 0.00 C ATOM 399 CG GLU A 55 -1.911 -1.598 -11.503 1.00 0.00 C ATOM 400 CD GLU A 55 -3.312 -1.895 -12.020 1.00 0.00 C ATOM 401 OE1 GLU A 55 -4.079 -0.910 -12.127 1.00 0.00 O ATOM 402 OE2 GLU A 55 -3.610 -3.087 -12.243 1.00 0.00 O ATOM 0 H GLU A 55 -1.782 -0.664 -7.713 1.00 0.00 H new ATOM 0 HA GLU A 55 0.087 -0.738 -9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.924 -2.165 -9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.945 -0.790 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.473 -0.772 -12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.266 -2.464 -11.654 1.00 0.00 H new ATOM 403 N ASN A 56 -2.104 1.664 -10.315 1.00 0.00 N ATOM 404 CA ASN A 56 -2.379 2.813 -11.167 1.00 0.00 C ATOM 405 C ASN A 56 -2.149 4.153 -10.466 1.00 0.00 C ATOM 406 O ASN A 56 -1.926 5.145 -11.154 1.00 0.00 O ATOM 407 CB ASN A 56 -3.790 2.712 -11.763 1.00 0.00 C ATOM 408 CG ASN A 56 -4.829 2.340 -10.716 1.00 0.00 C ATOM 409 OD1 ASN A 56 -5.288 3.178 -9.946 1.00 0.00 O ATOM 410 ND2 ASN A 56 -5.142 1.053 -10.632 1.00 0.00 N ATOM 0 H ASN A 56 -2.921 1.345 -9.794 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.657 2.786 -11.983 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.060 3.665 -12.218 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.795 1.967 -12.558 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.785 0.731 -9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.740 0.386 -11.291 1.00 0.00 H new ATOM 411 N GLY A 57 -2.159 4.201 -9.129 1.00 0.00 N ATOM 412 CA GLY A 57 -1.909 5.435 -8.390 1.00 0.00 C ATOM 413 C GLY A 57 -3.092 6.407 -8.456 1.00 0.00 C ATOM 414 O GLY A 57 -3.792 6.491 -9.463 1.00 0.00 O ATOM 0 H GLY A 57 -2.339 3.390 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.698 5.195 -7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.020 5.922 -8.791 1.00 0.00 H new ATOM 415 N LYS A 58 -3.344 7.128 -7.361 1.00 0.00 N ATOM 416 CA LYS A 58 -4.414 8.121 -7.247 1.00 0.00 C ATOM 417 C LYS A 58 -3.803 9.478 -6.862 1.00 0.00 C ATOM 418 O LYS A 58 -2.584 9.610 -6.782 1.00 0.00 O ATOM 419 CB LYS A 58 -5.460 7.635 -6.219 1.00 0.00 C ATOM 420 CG LYS A 58 -6.625 6.827 -6.800 1.00 0.00 C ATOM 421 CD LYS A 58 -6.158 5.490 -7.395 1.00 0.00 C ATOM 422 CE LYS A 58 -7.209 4.382 -7.266 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.514 4.062 -5.857 1.00 0.00 N ATOM 0 H LYS A 58 -2.795 7.035 -6.507 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.927 8.246 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.954 7.024 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.865 8.504 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.361 6.639 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.123 7.413 -7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.914 5.632 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.242 5.175 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.123 4.691 -7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.852 3.485 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.884 3.092 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.647 4.140 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.226 4.729 -5.496 1.00 0.00 H new ATOM 424 N GLY A 59 -4.668 10.479 -6.647 1.00 0.00 N ATOM 425 CA GLY A 59 -4.387 11.794 -6.075 1.00 0.00 C ATOM 426 C GLY A 59 -2.942 12.277 -6.184 1.00 0.00 C ATOM 427 O GLY A 59 -2.574 12.926 -7.163 1.00 0.00 O ATOM 0 H GLY A 59 -5.654 10.378 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.031 12.526 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.665 11.777 -5.021 1.00 0.00 H new ATOM 428 N ALA A 60 -2.150 12.004 -5.147 1.00 0.00 N ATOM 429 CA ALA A 60 -0.754 12.407 -5.029 1.00 0.00 C ATOM 430 C ALA A 60 0.139 11.195 -4.748 1.00 0.00 C ATOM 431 O ALA A 60 1.175 11.324 -4.093 1.00 0.00 O ATOM 432 CB ALA A 60 -0.630 13.474 -3.935 1.00 0.00 C ATOM 0 H ALA A 60 -2.478 11.477 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.415 12.837 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.412 13.780 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.240 14.338 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.974 13.063 -2.986 1.00 0.00 H new ATOM 433 N MET A 61 -0.248 10.022 -5.256 1.00 0.00 N ATOM 434 CA MET A 61 0.498 8.784 -5.135 1.00 0.00 C ATOM 435 C MET A 61 0.919 8.307 -6.529 1.00 0.00 C ATOM 436 O MET A 61 0.059 8.084 -7.379 1.00 0.00 O ATOM 437 CB MET A 61 -0.377 7.742 -4.439 1.00 0.00 C ATOM 438 CG MET A 61 0.278 6.362 -4.500 1.00 0.00 C ATOM 439 SD MET A 61 -0.154 5.218 -3.175 1.00 0.00 S ATOM 440 CE MET A 61 0.191 3.641 -3.972 1.00 0.00 C ATOM 0 H MET A 61 -1.118 9.913 -5.778 1.00 0.00 H new ATOM 0 HA MET A 61 1.398 8.939 -4.539 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.537 8.029 -3.400 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.357 7.707 -4.914 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.015 5.900 -5.451 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.360 6.496 -4.498 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.206 2.830 -3.361 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.280 3.619 -4.955 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.268 3.518 -4.083 1.00 0.00 H new ATOM 441 N PRO A 62 2.224 8.122 -6.791 1.00 0.00 N ATOM 442 CA PRO A 62 2.682 7.649 -8.082 1.00 0.00 C ATOM 443 C PRO A 62 2.280 6.188 -8.290 1.00 0.00 C ATOM 444 O PRO A 62 2.334 5.381 -7.362 1.00 0.00 O ATOM 445 CB PRO A 62 4.202 7.817 -8.062 1.00 0.00 C ATOM 446 CG PRO A 62 4.550 7.679 -6.580 1.00 0.00 C ATOM 447 CD PRO A 62 3.349 8.329 -5.893 1.00 0.00 C ATOM 0 HA PRO A 62 2.237 8.206 -8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.699 7.057 -8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.505 8.786 -8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.669 6.636 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.482 8.187 -6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.162 7.876 -4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.523 9.391 -5.722 1.00 0.00 H new ATOM 448 N ALA A 63 1.915 5.856 -9.530 1.00 0.00 N ATOM 449 CA ALA A 63 1.647 4.497 -9.971 1.00 0.00 C ATOM 450 C ALA A 63 2.882 3.617 -9.784 1.00 0.00 C ATOM 451 O ALA A 63 4.011 4.120 -9.820 1.00 0.00 O ATOM 452 CB ALA A 63 1.289 4.550 -11.461 1.00 0.00 C ATOM 0 H ALA A 63 1.796 6.548 -10.270 1.00 0.00 H new ATOM 0 HA ALA A 63 0.831 4.074 -9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.082 3.542 -11.822 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.406 5.174 -11.601 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.124 4.971 -12.021 1.00 0.00 H new ATOM 453 N TRP A 64 2.684 2.306 -9.630 1.00 0.00 N ATOM 454 CA TRP A 64 3.764 1.330 -9.626 1.00 0.00 C ATOM 455 C TRP A 64 3.613 0.310 -10.754 1.00 0.00 C ATOM 456 O TRP A 64 4.494 -0.539 -10.932 1.00 0.00 O ATOM 457 CB TRP A 64 3.909 0.730 -8.233 1.00 0.00 C ATOM 458 CG TRP A 64 4.308 1.748 -7.209 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.494 2.584 -6.524 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.660 2.144 -6.860 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.253 3.417 -5.726 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.603 3.188 -5.893 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.931 1.747 -7.309 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.764 3.766 -5.358 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.101 2.329 -6.795 1.00 0.00 C ATOM 466 CH2 TRP A 64 8.021 3.322 -5.801 1.00 0.00 C ATOM 0 H TRP A 64 1.760 1.893 -9.504 1.00 0.00 H new ATOM 0 HA TRP A 64 4.710 1.826 -9.846 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.965 0.273 -7.938 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.654 -0.066 -8.259 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.416 2.598 -6.591 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.864 4.115 -5.092 1.00 0.00 H new ATOM 0 HE3 TRP A 64 7.010 0.979 -8.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.692 4.545 -4.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.066 2.013 -7.164 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.923 3.741 -5.380 1.00 0.00 H new ATOM 467 N ASP A 65 2.553 0.451 -11.561 1.00 0.00 N ATOM 468 CA ASP A 65 2.400 -0.233 -12.822 1.00 0.00 C ATOM 469 C ASP A 65 3.705 -0.165 -13.612 1.00 0.00 C ATOM 470 O ASP A 65 4.338 0.888 -13.700 1.00 0.00 O ATOM 471 CB ASP A 65 1.261 0.384 -13.640 1.00 0.00 C ATOM 472 CG ASP A 65 1.171 -0.267 -15.014 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.491 -1.474 -15.088 1.00 0.00 O ATOM 474 OD2 ASP A 65 0.817 0.460 -15.965 1.00 0.00 O ATOM 0 H ASP A 65 1.767 1.062 -11.337 1.00 0.00 H new ATOM 0 HA ASP A 65 2.154 -1.276 -12.621 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.317 0.259 -13.110 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.425 1.456 -13.750 1.00 0.00 H new ATOM 475 N GLY A 66 4.136 -1.316 -14.111 1.00 0.00 N ATOM 476 CA GLY A 66 5.353 -1.487 -14.891 1.00 0.00 C ATOM 477 C GLY A 66 6.655 -1.182 -14.137 1.00 0.00 C ATOM 478 O GLY A 66 7.729 -1.405 -14.695 1.00 0.00 O ATOM 0 H GLY A 66 3.627 -2.190 -13.978 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.393 -2.514 -15.254 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.299 -0.841 -15.768 1.00 0.00 H new ATOM 479 N ARG A 67 6.600 -0.671 -12.901 1.00 0.00 N ATOM 480 CA ARG A 67 7.781 -0.362 -12.106 1.00 0.00 C ATOM 481 C ARG A 67 8.110 -1.549 -11.205 1.00 0.00 C ATOM 482 O ARG A 67 9.280 -1.894 -11.061 1.00 0.00 O ATOM 483 CB ARG A 67 7.560 0.918 -11.287 1.00 0.00 C ATOM 484 CG ARG A 67 7.378 2.141 -12.199 1.00 0.00 C ATOM 485 CD ARG A 67 6.937 3.375 -11.405 1.00 0.00 C ATOM 486 NE ARG A 67 7.945 3.798 -10.422 1.00 0.00 N ATOM 487 CZ ARG A 67 7.699 4.464 -9.279 1.00 0.00 C ATOM 488 NH1 ARG A 67 6.450 4.731 -8.879 1.00 0.00 N ATOM 489 NH2 ARG A 67 8.730 4.868 -8.528 1.00 0.00 N ATOM 0 H ARG A 67 5.723 -0.461 -12.425 1.00 0.00 H new ATOM 0 HA ARG A 67 8.628 -0.183 -12.768 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.680 0.800 -10.654 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.410 1.079 -10.624 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.315 2.354 -12.714 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.637 1.917 -12.966 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.739 4.196 -12.094 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.001 3.158 -10.891 1.00 0.00 H new ATOM 0 HE ARG A 67 8.917 3.566 -10.624 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.657 4.428 -9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.291 5.238 -8.008 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.686 4.670 -8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.560 5.374 -7.659 1.00 0.00 H new ATOM 490 N LEU A 68 7.084 -2.156 -10.601 1.00 0.00 N ATOM 491 CA LEU A 68 7.215 -3.390 -9.832 1.00 0.00 C ATOM 492 C LEU A 68 6.694 -4.564 -10.673 1.00 0.00 C ATOM 493 O LEU A 68 5.849 -4.355 -11.546 1.00 0.00 O ATOM 494 CB LEU A 68 6.430 -3.262 -8.515 1.00 0.00 C ATOM 495 CG LEU A 68 6.866 -2.087 -7.622 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.967 -2.027 -6.381 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.325 -2.156 -7.160 1.00 0.00 C ATOM 0 H LEU A 68 6.130 -1.798 -10.635 1.00 0.00 H new ATOM 0 HA LEU A 68 8.262 -3.572 -9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.371 -3.151 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.537 -4.189 -7.952 1.00 0.00 H new ATOM 0 HG LEU A 68 6.770 -1.193 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.275 -1.195 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.931 -1.884 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.055 -2.959 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.550 -1.291 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.482 -3.069 -6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.982 -2.157 -8.030 1.00 0.00 H new ATOM 498 N ASP A 69 7.179 -5.787 -10.421 1.00 0.00 N ATOM 499 CA ASP A 69 6.628 -7.001 -11.034 1.00 0.00 C ATOM 500 C ASP A 69 5.247 -7.297 -10.457 1.00 0.00 C ATOM 501 O ASP A 69 4.847 -6.746 -9.438 1.00 0.00 O ATOM 502 CB ASP A 69 7.570 -8.195 -10.815 1.00 0.00 C ATOM 503 CG ASP A 69 7.211 -9.471 -11.561 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.285 -10.157 -11.069 1.00 0.00 O ATOM 505 OD2 ASP A 69 7.830 -9.721 -12.615 1.00 0.00 O ATOM 0 H ASP A 69 7.961 -5.962 -9.789 1.00 0.00 H new ATOM 0 HA ASP A 69 6.533 -6.837 -12.107 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.577 -7.897 -11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.601 -8.417 -9.748 1.00 0.00 H new ATOM 506 N GLU A 70 4.538 -8.223 -11.081 1.00 0.00 N ATOM 507 CA GLU A 70 3.232 -8.682 -10.635 1.00 0.00 C ATOM 508 C GLU A 70 3.355 -9.323 -9.251 1.00 0.00 C ATOM 509 O GLU A 70 2.567 -9.032 -8.349 1.00 0.00 O ATOM 510 CB GLU A 70 2.650 -9.682 -11.644 1.00 0.00 C ATOM 511 CG GLU A 70 2.394 -9.051 -13.022 1.00 0.00 C ATOM 512 CD GLU A 70 1.704 -10.012 -13.988 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.382 -11.140 -13.557 1.00 0.00 O ATOM 514 OE2 GLU A 70 1.499 -9.592 -15.148 1.00 0.00 O ATOM 0 H GLU A 70 4.861 -8.687 -11.930 1.00 0.00 H new ATOM 0 HA GLU A 70 2.555 -7.830 -10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.336 -10.521 -11.755 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.715 -10.084 -11.253 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.779 -8.159 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.342 -8.728 -13.452 1.00 0.00 H new ATOM 515 N ASP A 71 4.349 -10.198 -9.081 1.00 0.00 N ATOM 516 CA ASP A 71 4.541 -10.927 -7.831 1.00 0.00 C ATOM 517 C ASP A 71 4.881 -9.938 -6.717 1.00 0.00 C ATOM 518 O ASP A 71 4.321 -9.959 -5.622 1.00 0.00 O ATOM 519 CB ASP A 71 5.656 -11.960 -8.021 1.00 0.00 C ATOM 520 CG ASP A 71 5.644 -12.997 -6.914 1.00 0.00 C ATOM 521 OD1 ASP A 71 4.666 -13.776 -6.853 1.00 0.00 O ATOM 522 OD2 ASP A 71 6.637 -13.115 -6.165 1.00 0.00 O ATOM 0 H ASP A 71 5.037 -10.418 -9.801 1.00 0.00 H new ATOM 0 HA ASP A 71 3.628 -11.453 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.536 -12.454 -8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.622 -11.456 -8.039 1.00 0.00 H new ATOM 523 N GLU A 72 5.793 -9.030 -7.047 1.00 0.00 N ATOM 524 CA GLU A 72 6.256 -7.942 -6.220 1.00 0.00 C ATOM 525 C GLU A 72 5.077 -7.074 -5.749 1.00 0.00 C ATOM 526 O GLU A 72 4.817 -6.980 -4.546 1.00 0.00 O ATOM 527 CB GLU A 72 7.276 -7.201 -7.086 1.00 0.00 C ATOM 528 CG GLU A 72 8.072 -6.179 -6.319 1.00 0.00 C ATOM 529 CD GLU A 72 9.167 -5.558 -7.173 1.00 0.00 C ATOM 530 OE1 GLU A 72 8.999 -5.591 -8.412 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.143 -5.063 -6.572 1.00 0.00 O ATOM 0 H GLU A 72 6.252 -9.043 -7.958 1.00 0.00 H new ATOM 0 HA GLU A 72 6.724 -8.270 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.959 -7.924 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.756 -6.706 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.405 -5.396 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.518 -6.649 -5.442 1.00 0.00 H new ATOM 532 N ILE A 73 4.339 -6.481 -6.695 1.00 0.00 N ATOM 533 CA ILE A 73 3.076 -5.770 -6.464 1.00 0.00 C ATOM 534 C ILE A 73 2.208 -6.567 -5.483 1.00 0.00 C ATOM 535 O ILE A 73 1.782 -6.067 -4.441 1.00 0.00 O ATOM 536 CB ILE A 73 2.313 -5.570 -7.796 1.00 0.00 C ATOM 537 CG1 ILE A 73 2.946 -4.562 -8.764 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.859 -5.164 -7.568 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.662 -3.088 -8.471 1.00 0.00 C ATOM 0 H ILE A 73 4.615 -6.483 -7.677 1.00 0.00 H new ATOM 0 HA ILE A 73 3.298 -4.790 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 73 2.371 -6.552 -8.265 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.026 -4.712 -8.760 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.597 -4.786 -9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.362 -5.035 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.349 -5.941 -6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.826 -4.226 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.158 -2.467 -9.217 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.587 -2.910 -8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.038 -2.835 -7.480 1.00 0.00 H new ATOM 540 N ALA A 74 1.923 -7.822 -5.833 1.00 0.00 N ATOM 541 CA ALA A 74 1.079 -8.675 -5.009 1.00 0.00 C ATOM 542 C ALA A 74 1.636 -8.821 -3.587 1.00 0.00 C ATOM 543 O ALA A 74 0.871 -8.841 -2.621 1.00 0.00 O ATOM 544 CB ALA A 74 0.883 -10.034 -5.685 1.00 0.00 C ATOM 0 H ALA A 74 2.267 -8.267 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 74 0.103 -8.199 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.250 -10.664 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.408 -9.892 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.851 -10.515 -5.822 1.00 0.00 H new ATOM 545 N GLY A 75 2.961 -8.903 -3.441 1.00 0.00 N ATOM 546 CA GLY A 75 3.602 -9.092 -2.155 1.00 0.00 C ATOM 547 C GLY A 75 3.421 -7.834 -1.325 1.00 0.00 C ATOM 548 O GLY A 75 3.014 -7.899 -0.168 1.00 0.00 O ATOM 0 H GLY A 75 3.615 -8.839 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.168 -9.949 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.662 -9.305 -2.290 1.00 0.00 H new ATOM 549 N VAL A 76 3.705 -6.674 -1.920 1.00 0.00 N ATOM 550 CA VAL A 76 3.597 -5.411 -1.211 1.00 0.00 C ATOM 551 C VAL A 76 2.146 -5.161 -0.789 1.00 0.00 C ATOM 552 O VAL A 76 1.899 -4.774 0.356 1.00 0.00 O ATOM 553 CB VAL A 76 4.273 -4.283 -2.011 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.370 -3.506 -2.972 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.868 -3.246 -1.048 1.00 0.00 C ATOM 0 H VAL A 76 4.010 -6.590 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 76 4.152 -5.445 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 76 5.017 -4.805 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.954 -2.738 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.950 -4.190 -3.710 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.562 -3.036 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.345 -2.450 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.074 -2.824 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.608 -3.726 -0.408 1.00 0.00 H new ATOM 556 N ALA A 77 1.180 -5.443 -1.675 1.00 0.00 N ATOM 557 CA ALA A 77 -0.222 -5.434 -1.292 1.00 0.00 C ATOM 558 C ALA A 77 -0.476 -6.341 -0.083 1.00 0.00 C ATOM 559 O ALA A 77 -0.981 -5.875 0.938 1.00 0.00 O ATOM 560 CB ALA A 77 -1.090 -5.843 -2.481 1.00 0.00 C ATOM 0 H ALA A 77 1.351 -5.677 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.492 -4.420 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.139 -5.834 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.938 -5.141 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.813 -6.846 -2.806 1.00 0.00 H new ATOM 561 N ALA A 78 -0.131 -7.628 -0.190 1.00 0.00 N ATOM 562 CA ALA A 78 -0.308 -8.586 0.896 1.00 0.00 C ATOM 563 C ALA A 78 0.293 -8.077 2.213 1.00 0.00 C ATOM 564 O ALA A 78 -0.361 -8.134 3.251 1.00 0.00 O ATOM 565 CB ALA A 78 0.275 -9.945 0.500 1.00 0.00 C ATOM 0 H ALA A 78 0.278 -8.031 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.377 -8.706 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.137 -10.652 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.236 -10.315 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.339 -9.837 0.289 1.00 0.00 H new ATOM 566 N TYR A 79 1.524 -7.564 2.180 1.00 0.00 N ATOM 567 CA TYR A 79 2.199 -7.023 3.352 1.00 0.00 C ATOM 568 C TYR A 79 1.404 -5.886 3.974 1.00 0.00 C ATOM 569 O TYR A 79 1.115 -5.910 5.166 1.00 0.00 O ATOM 570 CB TYR A 79 3.592 -6.525 2.963 1.00 0.00 C ATOM 571 CG TYR A 79 4.382 -5.917 4.107 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.810 -6.735 5.169 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.611 -4.529 4.160 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.463 -6.169 6.276 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.256 -3.962 5.273 1.00 0.00 C ATOM 576 CZ TYR A 79 5.680 -4.784 6.332 1.00 0.00 C ATOM 577 OH TYR A 79 6.274 -4.240 7.432 1.00 0.00 O ATOM 0 H TYR A 79 2.083 -7.514 1.328 1.00 0.00 H new ATOM 0 HA TYR A 79 2.285 -7.820 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.160 -7.358 2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.491 -5.782 2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.636 -7.800 5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.290 -3.898 3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.799 -6.801 7.085 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.426 -2.896 5.315 1.00 0.00 H new ATOM 0 HH TYR A 79 6.353 -3.270 7.315 1.00 0.00 H new ATOM 578 N VAL A 80 1.062 -4.874 3.178 1.00 0.00 N ATOM 579 CA VAL A 80 0.263 -3.760 3.646 1.00 0.00 C ATOM 580 C VAL A 80 -1.041 -4.278 4.270 1.00 0.00 C ATOM 581 O VAL A 80 -1.437 -3.834 5.350 1.00 0.00 O ATOM 582 CB VAL A 80 0.063 -2.801 2.464 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.118 -1.868 2.693 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.336 -1.973 2.251 1.00 0.00 C ATOM 0 H VAL A 80 1.333 -4.810 2.197 1.00 0.00 H new ATOM 0 HA VAL A 80 0.758 -3.202 4.441 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.146 -3.400 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.229 -1.204 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.028 -2.456 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.945 -1.275 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.192 -1.293 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.551 -1.397 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.172 -2.639 2.039 1.00 0.00 H new ATOM 585 N TYR A 81 -1.693 -5.236 3.606 1.00 0.00 N ATOM 586 CA TYR A 81 -2.910 -5.845 4.115 1.00 0.00 C ATOM 587 C TYR A 81 -2.669 -6.475 5.485 1.00 0.00 C ATOM 588 O TYR A 81 -3.427 -6.210 6.414 1.00 0.00 O ATOM 589 CB TYR A 81 -3.456 -6.868 3.115 1.00 0.00 C ATOM 590 CG TYR A 81 -4.939 -7.130 3.268 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.859 -6.171 2.812 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.407 -8.304 3.889 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.237 -6.385 2.959 1.00 0.00 C ATOM 594 CE2 TYR A 81 -6.791 -8.526 4.019 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.707 -7.569 3.552 1.00 0.00 C ATOM 596 OH TYR A 81 -9.046 -7.789 3.694 1.00 0.00 O ATOM 0 H TYR A 81 -1.388 -5.605 2.705 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.662 -5.066 4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.260 -6.515 2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.915 -7.807 3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.503 -5.264 2.346 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.705 -9.033 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.938 -5.639 2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.150 -9.435 4.479 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.543 -7.021 3.343 1.00 0.00 H new ATOM 597 N ASP A 82 -1.615 -7.288 5.621 1.00 0.00 N ATOM 598 CA ASP A 82 -1.245 -7.892 6.897 1.00 0.00 C ATOM 599 C ASP A 82 -1.039 -6.817 7.961 1.00 0.00 C ATOM 600 O ASP A 82 -1.648 -6.866 9.030 1.00 0.00 O ATOM 601 CB ASP A 82 0.030 -8.741 6.784 1.00 0.00 C ATOM 602 CG ASP A 82 0.386 -9.297 8.159 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.532 -9.726 8.893 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.564 -9.205 8.572 1.00 0.00 O ATOM 0 H ASP A 82 -0.999 -7.542 4.849 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.068 -8.546 7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.123 -9.557 6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.851 -8.136 6.399 1.00 0.00 H new ATOM 605 N GLN A 83 -0.172 -5.843 7.668 1.00 0.00 N ATOM 606 CA GLN A 83 0.124 -4.737 8.552 1.00 0.00 C ATOM 607 C GLN A 83 -1.162 -4.114 9.075 1.00 0.00 C ATOM 608 O GLN A 83 -1.334 -4.011 10.284 1.00 0.00 O ATOM 609 CB GLN A 83 0.996 -3.700 7.848 1.00 0.00 C ATOM 610 CG GLN A 83 2.450 -4.121 7.663 1.00 0.00 C ATOM 611 CD GLN A 83 3.181 -4.312 8.989 1.00 0.00 C ATOM 612 OE1 GLN A 83 3.712 -5.381 9.271 1.00 0.00 O ATOM 613 NE2 GLN A 83 3.171 -3.286 9.833 1.00 0.00 N ATOM 0 H GLN A 83 0.348 -5.811 6.791 1.00 0.00 H new ATOM 0 HA GLN A 83 0.685 -5.117 9.406 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.566 -3.485 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.969 -2.772 8.419 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.485 -5.051 7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.970 -3.367 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.720 -2.411 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.614 -3.374 10.748 1.00 0.00 H new ATOM 614 N ALA A 84 -2.065 -3.730 8.173 1.00 0.00 N ATOM 615 CA ALA A 84 -3.339 -3.127 8.531 1.00 0.00 C ATOM 616 C ALA A 84 -4.247 -4.092 9.310 1.00 0.00 C ATOM 617 O ALA A 84 -4.865 -3.690 10.294 1.00 0.00 O ATOM 618 CB ALA A 84 -4.016 -2.637 7.253 1.00 0.00 C ATOM 0 H ALA A 84 -1.928 -3.831 7.167 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.155 -2.288 9.201 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.974 -2.181 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.379 -1.900 6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.178 -3.480 6.581 1.00 0.00 H new ATOM 619 N ALA A 85 -4.346 -5.351 8.871 1.00 0.00 N ATOM 620 CA ALA A 85 -5.230 -6.358 9.451 1.00 0.00 C ATOM 621 C ALA A 85 -4.810 -6.692 10.880 1.00 0.00 C ATOM 622 O ALA A 85 -5.588 -6.530 11.816 1.00 0.00 O ATOM 623 CB ALA A 85 -5.233 -7.628 8.591 1.00 0.00 C ATOM 0 H ALA A 85 -3.800 -5.703 8.085 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.240 -5.948 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.897 -8.368 9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.582 -7.387 7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.222 -8.033 8.537 1.00 0.00 H new ATOM 624 N GLY A 86 -3.566 -7.154 11.045 1.00 0.00 N ATOM 625 CA GLY A 86 -2.974 -7.372 12.357 1.00 0.00 C ATOM 626 C GLY A 86 -2.862 -6.051 13.118 1.00 0.00 C ATOM 627 O GLY A 86 -2.841 -6.035 14.346 1.00 0.00 O ATOM 0 H GLY A 86 -2.946 -7.386 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.583 -8.076 12.925 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.987 -7.821 12.247 1.00 0.00 H new ATOM 628 N ASN A 87 -2.789 -4.946 12.373 1.00 0.00 N ATOM 629 CA ASN A 87 -2.718 -3.583 12.853 1.00 0.00 C ATOM 630 C ASN A 87 -1.372 -3.352 13.533 1.00 0.00 C ATOM 631 O ASN A 87 -1.292 -2.739 14.593 1.00 0.00 O ATOM 632 CB ASN A 87 -3.949 -3.263 13.706 1.00 0.00 C ATOM 633 CG ASN A 87 -4.444 -1.855 13.408 1.00 0.00 C ATOM 634 OD1 ASN A 87 -4.240 -0.915 14.169 1.00 0.00 O ATOM 635 ND2 ASN A 87 -5.087 -1.693 12.256 1.00 0.00 N ATOM 0 H ASN A 87 -2.778 -4.993 11.354 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.754 -2.869 12.030 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.740 -3.985 13.502 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.701 -3.353 14.764 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.425 -0.769 11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.243 -2.493 11.642 1.00 0.00 H new ATOM 636 N LYS A 88 -0.312 -3.875 12.905 1.00 0.00 N ATOM 637 CA LYS A 88 1.013 -3.996 13.474 1.00 0.00 C ATOM 638 C LYS A 88 1.994 -2.995 12.842 1.00 0.00 C ATOM 639 O LYS A 88 3.164 -3.323 12.627 1.00 0.00 O ATOM 640 CB LYS A 88 1.443 -5.468 13.333 1.00 0.00 C ATOM 641 CG LYS A 88 1.810 -5.906 11.906 1.00 0.00 C ATOM 642 CD LYS A 88 0.924 -6.992 11.274 1.00 0.00 C ATOM 643 CE LYS A 88 1.010 -8.348 11.990 1.00 0.00 C ATOM 644 NZ LYS A 88 0.828 -9.473 11.046 1.00 0.00 N ATOM 0 H LYS A 88 -0.368 -4.235 11.952 1.00 0.00 H new ATOM 0 HA LYS A 88 1.011 -3.735 14.532 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.301 -5.644 13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.634 -6.103 13.695 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.785 -5.027 11.262 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.839 -6.266 11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.112 -6.653 11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.212 -7.122 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.977 -8.439 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.249 -8.398 12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.892 -10.373 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.105 -9.399 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.570 -9.438 10.318 1.00 0.00 H new ATOM 645 N TRP A 89 1.512 -1.800 12.493 1.00 0.00 N ATOM 646 CA TRP A 89 2.384 -0.659 12.253 1.00 0.00 C ATOM 647 C TRP A 89 2.988 -0.194 13.578 1.00 0.00 C ATOM 648 O TRP A 89 4.126 0.322 13.533 1.00 0.00 O ATOM 649 CB TRP A 89 1.580 0.468 11.603 1.00 0.00 C ATOM 650 CG TRP A 89 1.101 0.165 10.222 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.187 0.024 9.841 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.901 -0.082 9.028 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.231 -0.275 8.499 1.00 0.00 N ATOM 654 CE2 TRP A 89 1.022 -0.325 7.934 1.00 0.00 C ATOM 655 CE3 TRP A 89 3.283 -0.159 8.763 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.482 -0.603 6.639 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.755 -0.506 7.485 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.864 -0.688 6.413 1.00 0.00 C ATOM 659 OXT TRP A 89 2.296 -0.354 14.607 1.00 0.00 O ATOM 0 H TRP A 89 0.519 -1.602 12.371 1.00 0.00 H new ATOM 0 HA TRP A 89 3.193 -0.944 11.580 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.719 0.693 12.232 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.196 1.367 11.572 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.046 0.129 10.487 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.094 -0.441 7.982 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.989 0.051 9.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.784 -0.749 5.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.815 -0.634 7.325 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.241 -0.892 5.422 1.00 0.00 H new TER 660 TRP A 89 HETATM 661 FE HEM A 90 0.943 5.244 -1.079 1.00 0.00 FE HETATM 662 CHA HEM A 90 -2.363 6.065 -0.349 1.00 0.00 C HETATM 663 CHB HEM A 90 0.317 1.942 -0.391 1.00 0.00 C HETATM 664 CHC HEM A 90 4.088 4.466 -2.283 1.00 0.00 C HETATM 665 CHD HEM A 90 1.656 8.644 -1.453 1.00 0.00 C HETATM 666 NA HEM A 90 -0.730 4.188 -0.516 1.00 0.00 N HETATM 667 C1A HEM A 90 -1.961 4.729 -0.265 1.00 0.00 C HETATM 668 C2A HEM A 90 -2.813 3.655 0.184 1.00 0.00 C HETATM 669 C3A HEM A 90 -2.085 2.491 0.124 1.00 0.00 C HETATM 670 C4A HEM A 90 -0.741 2.846 -0.270 1.00 0.00 C HETATM 671 CMA HEM A 90 -2.620 1.104 0.394 1.00 0.00 C HETATM 672 CAA HEM A 90 -4.211 3.801 0.724 1.00 0.00 C HETATM 673 CBA HEM A 90 -4.250 4.298 2.172 1.00 0.00 C HETATM 674 CGA HEM A 90 -5.663 4.673 2.598 1.00 0.00 C HETATM 675 O1A HEM A 90 -6.604 4.297 1.869 1.00 0.00 O HETATM 676 O2A HEM A 90 -5.769 5.412 3.598 1.00 0.00 O HETATM 677 NB HEM A 90 2.014 3.509 -1.298 1.00 0.00 N HETATM 678 C1B HEM A 90 1.562 2.275 -0.934 1.00 0.00 C HETATM 679 C2B HEM A 90 2.610 1.326 -1.233 1.00 0.00 C HETATM 680 C3B HEM A 90 3.635 2.023 -1.841 1.00 0.00 C HETATM 681 C4B HEM A 90 3.267 3.421 -1.837 1.00 0.00 C HETATM 682 CMB HEM A 90 2.602 -0.152 -0.907 1.00 0.00 C HETATM 683 CAB HEM A 90 4.936 1.440 -2.362 1.00 0.00 C HETATM 684 CBB HEM A 90 4.773 0.593 -3.627 1.00 0.00 C HETATM 685 NC HEM A 90 2.574 6.355 -1.761 1.00 0.00 N HETATM 686 C1C HEM A 90 3.753 5.813 -2.174 1.00 0.00 C HETATM 687 C2C HEM A 90 4.658 6.901 -2.463 1.00 0.00 C HETATM 688 C3C HEM A 90 4.013 8.071 -2.121 1.00 0.00 C HETATM 689 C4C HEM A 90 2.655 7.720 -1.768 1.00 0.00 C HETATM 690 CMC HEM A 90 6.086 6.766 -2.941 1.00 0.00 C HETATM 691 CAC HEM A 90 4.656 9.429 -1.895 1.00 0.00 C HETATM 692 CBC HEM A 90 5.101 10.143 -3.174 1.00 0.00 C HETATM 693 ND HEM A 90 -0.159 7.041 -0.933 1.00 0.00 N HETATM 694 C1D HEM A 90 0.354 8.293 -1.113 1.00 0.00 C HETATM 695 C2D HEM A 90 -0.733 9.233 -0.950 1.00 0.00 C HETATM 696 C3D HEM A 90 -1.872 8.498 -0.729 1.00 0.00 C HETATM 697 C4D HEM A 90 -1.490 7.110 -0.652 1.00 0.00 C HETATM 698 CMD HEM A 90 -0.680 10.736 -1.073 1.00 0.00 C HETATM 699 CAD HEM A 90 -3.274 9.047 -0.658 1.00 0.00 C HETATM 700 CBD HEM A 90 -4.144 8.651 -1.857 1.00 0.00 C HETATM 701 CGD HEM A 90 -3.590 9.131 -3.189 1.00 0.00 C HETATM 702 O1D HEM A 90 -3.536 8.276 -4.096 1.00 0.00 O HETATM 703 O2D HEM A 90 -3.276 10.336 -3.293 1.00 0.00 O HETATM 0 HMA1 HEM A 90 -2.082 0.381 -0.219 1.00 0.00 H new HETATM 0 HMA2 HEM A 90 -3.681 1.069 0.149 1.00 0.00 H new HETATM 0 HMA3 HEM A 90 -2.483 0.860 1.447 1.00 0.00 H new HETATM 0 HMB1 HEM A 90 3.186 -0.692 -1.652 1.00 0.00 H new HETATM 0 HMB2 HEM A 90 1.576 -0.520 -0.913 1.00 0.00 H new HETATM 0 HMB3 HEM A 90 3.038 -0.309 0.079 1.00 0.00 H new HETATM 0 HMC1 HEM A 90 6.514 5.841 -2.553 1.00 0.00 H new HETATM 0 HMC2 HEM A 90 6.671 7.614 -2.584 1.00 0.00 H new HETATM 0 HMC3 HEM A 90 6.105 6.745 -4.031 1.00 0.00 H new HETATM 0 HMD1 HEM A 90 0.310 11.090 -0.785 1.00 0.00 H new HETATM 0 HMD2 HEM A 90 -1.429 11.181 -0.419 1.00 0.00 H new HETATM 0 HMD3 HEM A 90 -0.882 11.024 -2.105 1.00 0.00 H new HETATM 0 HBB1 HEM A 90 5.644 0.126 -4.086 1.00 0.00 H new HETATM 0 HBB2 HEM A 90 3.786 0.457 -4.068 1.00 0.00 H new HETATM 0 HBC1 HEM A 90 5.573 11.124 -3.115 1.00 0.00 H new HETATM 0 HBC2 HEM A 90 4.946 9.671 -4.144 1.00 0.00 H new HETATM 0 HBA1 HEM A 90 -3.596 5.163 2.278 1.00 0.00 H new HETATM 0 HBA2 HEM A 90 -3.863 3.523 2.834 1.00 0.00 H new HETATM 0 HAA1 HEM A 90 -4.719 2.839 0.663 1.00 0.00 H new HETATM 0 HAA2 HEM A 90 -4.766 4.495 0.093 1.00 0.00 H new HETATM 0 HBD1 HEM A 90 -5.146 9.059 -1.720 1.00 0.00 H new HETATM 0 HBD2 HEM A 90 -4.242 7.566 -1.883 1.00 0.00 H new HETATM 0 HAD1 HEM A 90 -3.228 10.134 -0.595 1.00 0.00 H new HETATM 0 HAD2 HEM A 90 -3.748 8.695 0.258 1.00 0.00 H new HETATM 0 HHA HEM A 90 -3.402 6.300 -0.170 1.00 0.00 H new HETATM 0 HHB HEM A 90 0.165 0.930 -0.046 1.00 0.00 H new HETATM 0 HHC HEM A 90 5.034 4.212 -2.737 1.00 0.00 H new HETATM 0 HHD HEM A 90 1.910 9.694 -1.475 1.00 0.00 H new HETATM 0 HAB HEM A 90 5.899 1.609 -1.879 1.00 0.00 H new HETATM 0 HAC HEM A 90 4.790 9.860 -0.903 1.00 0.00 H new