USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=14 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 79 TYR OH : rot -38:sc= 0.953 USER MOD Set 1.2: A 83 GLN : amide:sc= 0.76 K(o=1.7,f=-0.37) USER MOD Set 2.1: A 53 GLN : amide:sc= 1.46 K(o=3.5,f=-12!) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -178:sc= 2.04 (180deg=0.63) USER MOD Single : A 1 GLU N :NH3+ 140:sc= 1.46 (180deg=-2.53!) USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= 0.886 (180deg=-0.451) USER MOD Single : A 14 ASN : amide:sc= 1.03 K(o=1,f=0.14) USER MOD Single : A 24 ASN : amide:sc= 2.45 K(o=2.5,f=-10!) USER MOD Single : A 25 ASN : amide:sc= 0.822 K(o=0.82,f=-0.11) USER MOD Single : A 30 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-5.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0609 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -133:sc= 0.755 (180deg=-3.34!) USER MOD Single : A 39 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.099) USER MOD Single : A 46 ASN : amide:sc= 1.72 K(o=1.7,f=-6.6!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.538 K(o=0.54,f=-0.25) USER MOD Single : A 61 MET CE :methyl -178:sc= -0.174 (180deg=-0.18) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.853 K(o=0.85,f=-0.11) USER MOD Single : A 88 LYS NZ :NH3+ -178:sc= 0.912 (180deg=0.803) USER MOD Single : A 90 HEM CMA :methyl -30:sc= -0.308 (180deg=-0.333) USER MOD Single : A 90 HEM CMB :methyl 150:sc= -1.1 (180deg=-1.1) USER MOD Single : A 90 HEM CMC :methyl -30:sc= -1.09 (180deg=-1.41!) USER MOD Single : A 90 HEM CMD :methyl -30:sc= -0.563 (180deg=-3.21!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 6.448 -15.404 -5.347 1.00 0.00 N ATOM 2 CA GLU A 1 5.390 -15.672 -4.372 1.00 0.00 C ATOM 3 C GLU A 1 5.065 -14.367 -3.656 1.00 0.00 C ATOM 4 O GLU A 1 5.992 -13.652 -3.282 1.00 0.00 O ATOM 5 CB GLU A 1 5.781 -16.763 -3.362 1.00 0.00 C ATOM 6 CG GLU A 1 5.888 -18.166 -3.989 1.00 0.00 C ATOM 7 CD GLU A 1 7.273 -18.481 -4.542 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.731 -17.677 -5.382 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.846 -19.500 -4.108 1.00 0.00 O ATOM 0 H1 GLU A 1 7.126 -16.193 -5.350 1.00 0.00 H new ATOM 0 H2 GLU A 1 6.030 -15.303 -6.294 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.941 -14.525 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 1 4.515 -16.050 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 1 6.737 -16.502 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.043 -16.787 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.627 -18.912 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.156 -18.253 -4.792 1.00 0.00 H new ATOM 10 N ALA A 2 3.779 -14.074 -3.437 1.00 0.00 N ATOM 11 CA ALA A 2 3.308 -12.866 -2.781 1.00 0.00 C ATOM 12 C ALA A 2 3.586 -12.903 -1.270 1.00 0.00 C ATOM 13 O ALA A 2 2.664 -12.861 -0.458 1.00 0.00 O ATOM 14 CB ALA A 2 1.815 -12.690 -3.081 1.00 0.00 C ATOM 0 H ALA A 2 3.021 -14.694 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 2 3.852 -12.006 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.450 -11.786 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.668 -12.606 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.264 -13.552 -2.705 1.00 0.00 H new ATOM 15 N ASP A 3 4.862 -13.010 -0.901 1.00 0.00 N ATOM 16 CA ASP A 3 5.315 -13.151 0.472 1.00 0.00 C ATOM 17 C ASP A 3 5.278 -11.803 1.197 1.00 0.00 C ATOM 18 O ASP A 3 5.416 -10.735 0.598 1.00 0.00 O ATOM 19 CB ASP A 3 6.702 -13.812 0.474 1.00 0.00 C ATOM 20 CG ASP A 3 7.487 -13.569 1.753 1.00 0.00 C ATOM 21 OD1 ASP A 3 6.903 -13.691 2.854 1.00 0.00 O ATOM 22 OD2 ASP A 3 8.652 -13.155 1.611 1.00 0.00 O ATOM 0 H ASP A 3 5.628 -13.000 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 3 4.642 -13.801 1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.584 -14.886 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.276 -13.436 -0.373 1.00 0.00 H new ATOM 23 N LEU A 4 5.093 -11.881 2.514 1.00 0.00 N ATOM 24 CA LEU A 4 5.037 -10.757 3.423 1.00 0.00 C ATOM 25 C LEU A 4 6.441 -10.195 3.646 1.00 0.00 C ATOM 26 O LEU A 4 6.592 -8.982 3.751 1.00 0.00 O ATOM 27 CB LEU A 4 4.396 -11.183 4.750 1.00 0.00 C ATOM 28 CG LEU A 4 3.040 -11.896 4.595 1.00 0.00 C ATOM 29 CD1 LEU A 4 2.428 -12.070 5.988 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.039 -11.138 3.714 1.00 0.00 C ATOM 0 H LEU A 4 4.973 -12.775 2.990 1.00 0.00 H new ATOM 0 HA LEU A 4 4.420 -9.972 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.084 -11.844 5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.261 -10.300 5.375 1.00 0.00 H new ATOM 0 HG LEU A 4 3.234 -12.849 4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.465 -12.574 5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.097 -12.668 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.286 -11.092 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.108 -11.702 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.841 -10.158 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.455 -11.014 2.714 1.00 0.00 H new ATOM 31 N ALA A 5 7.473 -11.046 3.724 1.00 0.00 N ATOM 32 CA ALA A 5 8.843 -10.569 3.902 1.00 0.00 C ATOM 33 C ALA A 5 9.341 -9.894 2.621 1.00 0.00 C ATOM 34 O ALA A 5 9.867 -8.787 2.681 1.00 0.00 O ATOM 35 CB ALA A 5 9.766 -11.700 4.365 1.00 0.00 C ATOM 0 H ALA A 5 7.382 -12.060 3.667 1.00 0.00 H new ATOM 0 HA ALA A 5 8.854 -9.818 4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.778 -11.316 4.489 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.409 -12.095 5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.769 -12.496 3.620 1.00 0.00 H new ATOM 36 N LEU A 6 9.143 -10.519 1.458 1.00 0.00 N ATOM 37 CA LEU A 6 9.335 -9.900 0.159 1.00 0.00 C ATOM 38 C LEU A 6 8.582 -8.566 0.120 1.00 0.00 C ATOM 39 O LEU A 6 9.178 -7.515 -0.119 1.00 0.00 O ATOM 40 CB LEU A 6 8.835 -10.872 -0.921 1.00 0.00 C ATOM 41 CG LEU A 6 9.103 -10.353 -2.331 1.00 0.00 C ATOM 42 CD1 LEU A 6 10.198 -11.159 -3.037 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.826 -10.340 -3.177 1.00 0.00 C ATOM 0 H LEU A 6 8.838 -11.491 1.400 1.00 0.00 H new ATOM 0 HA LEU A 6 10.389 -9.691 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.323 -11.838 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.765 -11.036 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 6 9.455 -9.327 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.358 -10.757 -4.038 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.124 -11.092 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.892 -12.203 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.054 -9.965 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.429 -11.352 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.085 -9.694 -2.707 1.00 0.00 H new ATOM 44 N GLY A 7 7.275 -8.602 0.389 1.00 0.00 N ATOM 45 CA GLY A 7 6.451 -7.410 0.459 1.00 0.00 C ATOM 46 C GLY A 7 7.075 -6.341 1.354 1.00 0.00 C ATOM 47 O GLY A 7 7.153 -5.179 0.968 1.00 0.00 O ATOM 0 H GLY A 7 6.763 -9.467 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.309 -7.007 -0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.464 -7.672 0.840 1.00 0.00 H new ATOM 48 N LYS A 8 7.555 -6.720 2.540 1.00 0.00 N ATOM 49 CA LYS A 8 8.245 -5.807 3.422 1.00 0.00 C ATOM 50 C LYS A 8 9.477 -5.219 2.735 1.00 0.00 C ATOM 51 O LYS A 8 9.633 -4.009 2.693 1.00 0.00 O ATOM 52 CB LYS A 8 8.606 -6.495 4.743 1.00 0.00 C ATOM 53 CG LYS A 8 9.294 -5.450 5.613 1.00 0.00 C ATOM 54 CD LYS A 8 9.561 -5.938 7.037 1.00 0.00 C ATOM 55 CE LYS A 8 9.786 -4.767 8.010 1.00 0.00 C ATOM 56 NZ LYS A 8 10.548 -3.644 7.421 1.00 0.00 N ATOM 0 H LYS A 8 7.471 -7.668 2.906 1.00 0.00 H new ATOM 0 HA LYS A 8 7.575 -4.980 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.712 -6.879 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.264 -7.346 4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.239 -5.165 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.675 -4.554 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.718 -6.538 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.437 -6.587 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.819 -4.399 8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.316 -5.133 8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.995 -3.091 8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.283 -4.018 6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.903 -3.032 6.881 1.00 0.00 H new ATOM 57 N ALA A 9 10.371 -6.062 2.227 1.00 0.00 N ATOM 58 CA ALA A 9 11.580 -5.622 1.540 1.00 0.00 C ATOM 59 C ALA A 9 11.257 -4.569 0.472 1.00 0.00 C ATOM 60 O ALA A 9 11.913 -3.531 0.397 1.00 0.00 O ATOM 61 CB ALA A 9 12.313 -6.823 0.934 1.00 0.00 C ATOM 0 H ALA A 9 10.276 -7.076 2.281 1.00 0.00 H new ATOM 0 HA ALA A 9 12.240 -5.153 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.213 -6.480 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.587 -7.519 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.660 -7.325 0.220 1.00 0.00 H new ATOM 62 N VAL A 10 10.224 -4.817 -0.337 1.00 0.00 N ATOM 63 CA VAL A 10 9.741 -3.847 -1.301 1.00 0.00 C ATOM 64 C VAL A 10 9.301 -2.575 -0.573 1.00 0.00 C ATOM 65 O VAL A 10 9.775 -1.487 -0.901 1.00 0.00 O ATOM 66 CB VAL A 10 8.599 -4.471 -2.119 1.00 0.00 C ATOM 67 CG1 VAL A 10 8.013 -3.463 -3.107 1.00 0.00 C ATOM 68 CG2 VAL A 10 9.077 -5.689 -2.914 1.00 0.00 C ATOM 0 H VAL A 10 9.706 -5.695 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 10 10.535 -3.570 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 10 7.838 -4.777 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.207 -3.933 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.621 -2.604 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.792 -3.132 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.243 -6.104 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.868 -5.388 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.461 -6.444 -2.228 1.00 0.00 H new ATOM 69 N PHE A 11 8.398 -2.717 0.401 1.00 0.00 N ATOM 70 CA PHE A 11 7.833 -1.629 1.188 1.00 0.00 C ATOM 71 C PHE A 11 8.915 -0.682 1.701 1.00 0.00 C ATOM 72 O PHE A 11 8.928 0.511 1.390 1.00 0.00 O ATOM 73 CB PHE A 11 7.018 -2.210 2.350 1.00 0.00 C ATOM 74 CG PHE A 11 6.300 -1.169 3.172 1.00 0.00 C ATOM 75 CD1 PHE A 11 5.124 -0.591 2.669 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.877 -0.677 4.358 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.562 0.518 3.313 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.262 0.382 5.048 1.00 0.00 C ATOM 79 CZ PHE A 11 5.104 0.980 4.522 1.00 0.00 C ATOM 0 H PHE A 11 8.030 -3.629 0.669 1.00 0.00 H new ATOM 0 HA PHE A 11 7.177 -1.042 0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.286 -2.913 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.684 -2.777 3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.654 -1.001 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.790 -1.112 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.710 1.019 2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.678 0.735 5.980 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.631 1.796 5.049 1.00 0.00 H new ATOM 80 N ASP A 12 9.831 -1.255 2.477 1.00 0.00 N ATOM 81 CA ASP A 12 10.982 -0.624 3.080 1.00 0.00 C ATOM 82 C ASP A 12 11.736 0.245 2.069 1.00 0.00 C ATOM 83 O ASP A 12 12.182 1.337 2.413 1.00 0.00 O ATOM 84 CB ASP A 12 11.892 -1.726 3.643 1.00 0.00 C ATOM 85 CG ASP A 12 11.337 -2.478 4.849 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.193 -2.217 5.288 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.067 -3.334 5.400 1.00 0.00 O ATOM 0 H ASP A 12 9.776 -2.246 2.713 1.00 0.00 H new ATOM 0 HA ASP A 12 10.657 0.038 3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.097 -2.445 2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.846 -1.279 3.922 1.00 0.00 H new ATOM 88 N GLY A 13 11.898 -0.230 0.827 1.00 0.00 N ATOM 89 CA GLY A 13 12.656 0.491 -0.181 1.00 0.00 C ATOM 90 C GLY A 13 11.802 1.550 -0.874 1.00 0.00 C ATOM 91 O GLY A 13 12.248 2.674 -1.093 1.00 0.00 O ATOM 0 H GLY A 13 11.509 -1.116 0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.520 0.966 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.038 -0.211 -0.922 1.00 0.00 H new ATOM 92 N ASN A 14 10.591 1.165 -1.280 1.00 0.00 N ATOM 93 CA ASN A 14 9.818 1.874 -2.293 1.00 0.00 C ATOM 94 C ASN A 14 8.751 2.774 -1.682 1.00 0.00 C ATOM 95 O ASN A 14 8.435 3.831 -2.226 1.00 0.00 O ATOM 96 CB ASN A 14 9.135 0.871 -3.233 1.00 0.00 C ATOM 97 CG ASN A 14 10.132 0.097 -4.087 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.408 0.471 -5.222 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.674 -0.992 -3.553 1.00 0.00 N ATOM 0 H ASN A 14 10.117 0.342 -0.908 1.00 0.00 H new ATOM 0 HA ASN A 14 10.520 2.500 -2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.545 0.169 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.441 1.403 -3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.342 -1.545 -4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.422 -1.275 -2.606 1.00 0.00 H new ATOM 100 N CYS A 15 8.133 2.308 -0.598 1.00 0.00 N ATOM 101 CA CYS A 15 6.862 2.815 -0.105 1.00 0.00 C ATOM 102 C CYS A 15 7.107 3.662 1.137 1.00 0.00 C ATOM 103 O CYS A 15 6.572 4.765 1.259 1.00 0.00 O ATOM 104 CB CYS A 15 5.947 1.657 0.206 1.00 0.00 C ATOM 105 SG CYS A 15 5.813 0.445 -1.145 1.00 0.00 S ATOM 0 H CYS A 15 8.513 1.552 -0.029 1.00 0.00 H new ATOM 0 HA CYS A 15 6.387 3.437 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.308 1.151 1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.954 2.042 0.436 1.00 0.00 H new ATOM 106 N ALA A 16 7.949 3.153 2.044 1.00 0.00 N ATOM 107 CA ALA A 16 8.323 3.811 3.291 1.00 0.00 C ATOM 108 C ALA A 16 8.703 5.281 3.086 1.00 0.00 C ATOM 109 O ALA A 16 8.430 6.111 3.950 1.00 0.00 O ATOM 110 CB ALA A 16 9.473 3.045 3.948 1.00 0.00 C ATOM 0 H ALA A 16 8.399 2.246 1.923 1.00 0.00 H new ATOM 0 HA ALA A 16 7.452 3.802 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.752 3.537 4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.157 2.023 4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.330 3.029 3.275 1.00 0.00 H new ATOM 111 N ALA A 17 9.303 5.599 1.932 1.00 0.00 N ATOM 112 CA ALA A 17 9.583 6.958 1.484 1.00 0.00 C ATOM 113 C ALA A 17 8.445 7.929 1.817 1.00 0.00 C ATOM 114 O ALA A 17 8.700 9.024 2.317 1.00 0.00 O ATOM 115 CB ALA A 17 9.845 6.947 -0.026 1.00 0.00 C ATOM 0 H ALA A 17 9.615 4.891 1.267 1.00 0.00 H new ATOM 0 HA ALA A 17 10.466 7.311 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.055 7.961 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.701 6.307 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.966 6.565 -0.545 1.00 0.00 H new ATOM 116 N CYS A 18 7.202 7.530 1.532 1.00 0.00 N ATOM 117 CA CYS A 18 6.010 8.320 1.826 1.00 0.00 C ATOM 118 C CYS A 18 5.256 7.731 3.017 1.00 0.00 C ATOM 119 O CYS A 18 4.589 8.474 3.737 1.00 0.00 O ATOM 120 CB CYS A 18 5.120 8.398 0.614 1.00 0.00 C ATOM 121 SG CYS A 18 5.950 9.345 -0.692 1.00 0.00 S ATOM 0 H CYS A 18 6.996 6.637 1.085 1.00 0.00 H new ATOM 0 HA CYS A 18 6.320 9.332 2.088 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.886 7.395 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.174 8.872 0.875 1.00 0.00 H new ATOM 122 N HIS A 19 5.331 6.410 3.216 1.00 0.00 N ATOM 123 CA HIS A 19 4.504 5.690 4.171 1.00 0.00 C ATOM 124 C HIS A 19 5.290 5.076 5.329 1.00 0.00 C ATOM 125 O HIS A 19 4.872 4.051 5.862 1.00 0.00 O ATOM 126 CB HIS A 19 3.712 4.616 3.421 1.00 0.00 C ATOM 127 CG HIS A 19 2.766 5.180 2.398 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.623 5.890 2.679 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.767 4.900 1.061 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.942 6.024 1.527 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.594 5.428 0.513 1.00 0.00 N ATOM 0 H HIS A 19 5.980 5.809 2.707 1.00 0.00 H new ATOM 0 HA HIS A 19 3.832 6.413 4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.409 3.939 2.927 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.147 4.023 4.140 1.00 0.00 H new ATOM 0 HD1 HIS A 19 1.343 6.249 3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.536 4.366 0.523 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.001 6.541 1.429 1.00 0.00 H new ATOM 132 N ALA A 20 6.405 5.675 5.756 1.00 0.00 N ATOM 133 CA ALA A 20 7.143 5.242 6.942 1.00 0.00 C ATOM 134 C ALA A 20 6.192 4.838 8.081 1.00 0.00 C ATOM 135 O ALA A 20 5.283 5.590 8.428 1.00 0.00 O ATOM 136 CB ALA A 20 8.091 6.356 7.396 1.00 0.00 C ATOM 0 H ALA A 20 6.822 6.478 5.285 1.00 0.00 H new ATOM 0 HA ALA A 20 7.727 4.360 6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.639 6.030 8.280 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.795 6.583 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.514 7.249 7.636 1.00 0.00 H new ATOM 137 N GLY A 21 6.355 3.621 8.612 1.00 0.00 N ATOM 138 CA GLY A 21 5.485 3.063 9.645 1.00 0.00 C ATOM 139 C GLY A 21 4.013 2.988 9.219 1.00 0.00 C ATOM 140 O GLY A 21 3.121 3.128 10.050 1.00 0.00 O ATOM 0 H GLY A 21 7.106 2.990 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.833 2.063 9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.565 3.671 10.546 1.00 0.00 H new ATOM 141 N GLY A 22 3.747 2.786 7.925 1.00 0.00 N ATOM 142 CA GLY A 22 2.401 2.818 7.371 1.00 0.00 C ATOM 143 C GLY A 22 1.764 4.199 7.489 1.00 0.00 C ATOM 144 O GLY A 22 0.539 4.310 7.450 1.00 0.00 O ATOM 0 H GLY A 22 4.470 2.594 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.434 2.523 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.779 2.087 7.888 1.00 0.00 H new ATOM 145 N GLY A 23 2.574 5.250 7.622 1.00 0.00 N ATOM 146 CA GLY A 23 2.071 6.605 7.719 1.00 0.00 C ATOM 147 C GLY A 23 1.656 7.116 6.342 1.00 0.00 C ATOM 148 O GLY A 23 1.431 6.345 5.407 1.00 0.00 O ATOM 0 H GLY A 23 3.591 5.178 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.219 6.636 8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.838 7.255 8.140 1.00 0.00 H new ATOM 149 N ASN A 24 1.580 8.437 6.200 1.00 0.00 N ATOM 150 CA ASN A 24 1.481 9.110 4.928 1.00 0.00 C ATOM 151 C ASN A 24 2.144 10.474 5.082 1.00 0.00 C ATOM 152 O ASN A 24 1.705 11.269 5.905 1.00 0.00 O ATOM 153 CB ASN A 24 0.008 9.258 4.587 1.00 0.00 C ATOM 154 CG ASN A 24 -0.157 9.652 3.132 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.454 10.601 2.645 1.00 0.00 O ATOM 156 ND2 ASN A 24 -0.954 8.869 2.423 1.00 0.00 N ATOM 0 H ASN A 24 1.587 9.077 6.994 1.00 0.00 H new ATOM 0 HA ASN A 24 1.972 8.556 4.128 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.513 8.320 4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.447 10.012 5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.083 9.041 1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.440 8.093 2.874 1.00 0.00 H new ATOM 157 N ASN A 25 3.213 10.749 4.337 1.00 0.00 N ATOM 158 CA ASN A 25 3.929 12.019 4.428 1.00 0.00 C ATOM 159 C ASN A 25 3.236 13.114 3.605 1.00 0.00 C ATOM 160 O ASN A 25 3.602 14.282 3.720 1.00 0.00 O ATOM 161 CB ASN A 25 5.395 11.815 4.012 1.00 0.00 C ATOM 162 CG ASN A 25 6.370 12.822 4.627 1.00 0.00 C ATOM 163 OD1 ASN A 25 7.286 12.439 5.347 1.00 0.00 O ATOM 164 ND2 ASN A 25 6.216 14.114 4.358 1.00 0.00 N ATOM 0 H ASN A 25 3.606 10.100 3.655 1.00 0.00 H new ATOM 0 HA ASN A 25 3.915 12.363 5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.704 10.809 4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.464 11.877 2.926 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.863 14.797 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.451 14.422 3.758 1.00 0.00 H new ATOM 165 N VAL A 26 2.258 12.769 2.761 1.00 0.00 N ATOM 166 CA VAL A 26 1.609 13.720 1.867 1.00 0.00 C ATOM 167 C VAL A 26 0.261 14.161 2.448 1.00 0.00 C ATOM 168 O VAL A 26 0.038 15.351 2.655 1.00 0.00 O ATOM 169 CB VAL A 26 1.477 13.090 0.473 1.00 0.00 C ATOM 170 CG1 VAL A 26 0.906 14.096 -0.535 1.00 0.00 C ATOM 171 CG2 VAL A 26 2.841 12.606 -0.043 1.00 0.00 C ATOM 0 H VAL A 26 1.897 11.818 2.682 1.00 0.00 H new ATOM 0 HA VAL A 26 2.214 14.621 1.769 1.00 0.00 H new ATOM 0 HB VAL A 26 0.798 12.243 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.823 13.623 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.080 14.422 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.569 14.958 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.720 12.164 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.527 13.451 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.245 11.860 0.641 1.00 0.00 H new ATOM 172 N ILE A 27 -0.641 13.206 2.701 1.00 0.00 N ATOM 173 CA ILE A 27 -1.957 13.437 3.289 1.00 0.00 C ATOM 174 C ILE A 27 -1.946 12.748 4.662 1.00 0.00 C ATOM 175 O ILE A 27 -2.184 11.542 4.713 1.00 0.00 O ATOM 176 CB ILE A 27 -3.067 12.893 2.362 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.909 13.451 0.934 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.437 13.270 2.948 1.00 0.00 C ATOM 179 CD1 ILE A 27 -4.030 13.033 -0.025 1.00 0.00 C ATOM 0 H ILE A 27 -0.466 12.223 2.494 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.168 14.500 3.410 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.987 11.808 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.872 14.539 0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.954 13.118 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.227 12.890 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.541 12.833 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.516 14.355 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.847 13.465 -1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.054 11.946 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.987 13.390 0.356 1.00 0.00 H new ATOM 180 N PRO A 28 -1.607 13.463 5.752 1.00 0.00 N ATOM 181 CA PRO A 28 -1.123 12.878 6.998 1.00 0.00 C ATOM 182 C PRO A 28 -1.921 11.680 7.516 1.00 0.00 C ATOM 183 O PRO A 28 -1.350 10.675 7.937 1.00 0.00 O ATOM 184 CB PRO A 28 -1.073 14.010 8.030 1.00 0.00 C ATOM 185 CG PRO A 28 -1.298 15.310 7.254 1.00 0.00 C ATOM 186 CD PRO A 28 -1.484 14.911 5.790 1.00 0.00 C ATOM 0 HA PRO A 28 -0.138 12.450 6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.840 13.875 8.793 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.112 14.025 8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.175 15.838 7.627 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.448 15.983 7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.373 15.384 5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.636 15.241 5.190 1.00 0.00 H new ATOM 187 N ASP A 29 -3.244 11.814 7.511 1.00 0.00 N ATOM 188 CA ASP A 29 -4.214 10.889 8.070 1.00 0.00 C ATOM 189 C ASP A 29 -4.566 9.748 7.109 1.00 0.00 C ATOM 190 O ASP A 29 -5.160 8.755 7.530 1.00 0.00 O ATOM 191 CB ASP A 29 -5.464 11.691 8.469 1.00 0.00 C ATOM 192 CG ASP A 29 -6.080 12.485 7.316 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.295 13.105 6.560 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.325 12.493 7.239 1.00 0.00 O ATOM 0 H ASP A 29 -3.692 12.626 7.088 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.778 10.407 8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.212 11.006 8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.202 12.379 9.273 1.00 0.00 H new ATOM 195 N HIS A 30 -4.177 9.833 5.835 1.00 0.00 N ATOM 196 CA HIS A 30 -4.486 8.820 4.829 1.00 0.00 C ATOM 197 C HIS A 30 -3.463 7.673 4.930 1.00 0.00 C ATOM 198 O HIS A 30 -2.742 7.370 3.977 1.00 0.00 O ATOM 199 CB HIS A 30 -4.541 9.529 3.467 1.00 0.00 C ATOM 200 CG HIS A 30 -5.326 8.844 2.376 1.00 0.00 C ATOM 201 ND1 HIS A 30 -5.332 7.502 2.084 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.090 9.467 1.424 1.00 0.00 C ATOM 203 CE1 HIS A 30 -6.054 7.332 0.962 1.00 0.00 C ATOM 204 NE2 HIS A 30 -6.526 8.504 0.515 1.00 0.00 N ATOM 0 H HIS A 30 -3.633 10.616 5.471 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.456 8.346 4.982 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.964 10.522 3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.519 9.668 3.115 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.872 6.767 2.621 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.316 10.522 1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.230 6.379 0.485 1.00 0.00 H new ATOM 205 N THR A 31 -3.369 7.074 6.121 1.00 0.00 N ATOM 206 CA THR A 31 -2.345 6.111 6.515 1.00 0.00 C ATOM 207 C THR A 31 -2.702 4.696 6.059 1.00 0.00 C ATOM 208 O THR A 31 -3.876 4.358 5.953 1.00 0.00 O ATOM 209 CB THR A 31 -2.248 6.126 8.045 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.527 5.895 8.595 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.773 7.474 8.578 1.00 0.00 C ATOM 0 H THR A 31 -4.038 7.258 6.869 1.00 0.00 H new ATOM 0 HA THR A 31 -1.400 6.389 6.049 1.00 0.00 H new ATOM 0 HB THR A 31 -1.532 5.354 8.326 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.469 5.902 9.573 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.720 7.437 9.666 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.786 7.698 8.174 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.474 8.252 8.275 1.00 0.00 H new ATOM 212 N LEU A 32 -1.713 3.811 5.924 1.00 0.00 N ATOM 213 CA LEU A 32 -1.920 2.442 5.462 1.00 0.00 C ATOM 214 C LEU A 32 -2.520 1.521 6.538 1.00 0.00 C ATOM 215 O LEU A 32 -2.144 0.350 6.599 1.00 0.00 O ATOM 216 CB LEU A 32 -0.579 1.854 4.991 1.00 0.00 C ATOM 217 CG LEU A 32 0.201 2.711 3.988 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.333 1.859 3.413 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.686 3.176 2.838 1.00 0.00 C ATOM 0 H LEU A 32 -0.739 4.028 6.135 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.639 2.492 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.050 1.685 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.768 0.880 4.540 1.00 0.00 H new ATOM 0 HG LEU A 32 0.581 3.592 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.903 2.448 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.990 1.535 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.913 0.986 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.099 3.781 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.085 2.308 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.510 3.772 3.232 1.00 0.00 H new ATOM 220 N GLN A 33 -3.438 2.003 7.385 1.00 0.00 N ATOM 221 CA GLN A 33 -4.024 1.198 8.454 1.00 0.00 C ATOM 222 C GLN A 33 -5.534 1.067 8.275 1.00 0.00 C ATOM 223 O GLN A 33 -6.172 1.987 7.760 1.00 0.00 O ATOM 224 CB GLN A 33 -3.577 1.674 9.840 1.00 0.00 C ATOM 225 CG GLN A 33 -4.293 2.922 10.353 1.00 0.00 C ATOM 226 CD GLN A 33 -3.791 3.297 11.745 1.00 0.00 C ATOM 227 OE1 GLN A 33 -4.540 3.265 12.715 1.00 0.00 O ATOM 228 NE2 GLN A 33 -2.509 3.628 11.867 1.00 0.00 N ATOM 0 H GLN A 33 -3.792 2.959 7.346 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.636 0.182 8.381 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.732 0.865 10.554 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.506 1.873 9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.127 3.751 9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.368 2.744 10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.907 3.647 11.044 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.128 3.863 12.784 1.00 0.00 H new ATOM 229 N LYS A 34 -6.079 -0.088 8.684 1.00 0.00 N ATOM 230 CA LYS A 34 -7.435 -0.542 8.402 1.00 0.00 C ATOM 231 C LYS A 34 -8.429 0.610 8.329 1.00 0.00 C ATOM 232 O LYS A 34 -8.955 0.902 7.264 1.00 0.00 O ATOM 233 CB LYS A 34 -7.848 -1.569 9.457 1.00 0.00 C ATOM 234 CG LYS A 34 -9.169 -2.246 9.079 1.00 0.00 C ATOM 235 CD LYS A 34 -9.474 -3.286 10.155 1.00 0.00 C ATOM 236 CE LYS A 34 -10.693 -4.177 9.860 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.867 -3.445 9.337 1.00 0.00 N ATOM 0 H LYS A 34 -5.555 -0.758 9.247 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.444 -1.009 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.067 -2.322 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.951 -1.079 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.972 -1.512 9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.092 -2.718 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.599 -3.922 10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.637 -2.772 11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.404 -4.941 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.980 -4.695 10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.720 -3.746 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.726 -2.423 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.981 -3.651 8.324 1.00 0.00 H new ATOM 238 N ALA A 35 -8.657 1.271 9.463 1.00 0.00 N ATOM 239 CA ALA A 35 -9.611 2.365 9.587 1.00 0.00 C ATOM 240 C ALA A 35 -9.495 3.379 8.442 1.00 0.00 C ATOM 241 O ALA A 35 -10.486 3.726 7.802 1.00 0.00 O ATOM 242 CB ALA A 35 -9.398 3.057 10.937 1.00 0.00 C ATOM 0 H ALA A 35 -8.174 1.055 10.335 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.616 1.947 9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.107 3.878 11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.554 2.339 11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.381 3.447 10.990 1.00 0.00 H new ATOM 243 N ALA A 36 -8.276 3.856 8.185 1.00 0.00 N ATOM 244 CA ALA A 36 -8.032 4.905 7.206 1.00 0.00 C ATOM 245 C ALA A 36 -8.272 4.357 5.804 1.00 0.00 C ATOM 246 O ALA A 36 -8.919 5.008 4.985 1.00 0.00 O ATOM 247 CB ALA A 36 -6.605 5.427 7.366 1.00 0.00 C ATOM 0 H ALA A 36 -7.433 3.523 8.652 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.718 5.737 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.421 6.213 6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.475 5.830 8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.899 4.611 7.208 1.00 0.00 H new ATOM 248 N ILE A 37 -7.820 3.125 5.568 1.00 0.00 N ATOM 249 CA ILE A 37 -8.105 2.409 4.336 1.00 0.00 C ATOM 250 C ILE A 37 -9.618 2.353 4.101 1.00 0.00 C ATOM 251 O ILE A 37 -10.095 2.745 3.039 1.00 0.00 O ATOM 252 CB ILE A 37 -7.393 1.036 4.363 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.134 1.042 3.490 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.277 -0.127 3.915 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.055 0.104 4.041 1.00 0.00 C ATOM 0 H ILE A 37 -7.247 2.600 6.229 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.702 2.934 3.470 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.135 0.881 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.394 0.741 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.738 2.056 3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.708 -1.055 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.143 -0.200 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.611 0.043 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.179 0.137 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.776 0.421 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.442 -0.914 4.076 1.00 0.00 H new ATOM 256 N GLU A 38 -10.382 1.880 5.085 1.00 0.00 N ATOM 257 CA GLU A 38 -11.799 1.632 4.925 1.00 0.00 C ATOM 258 C GLU A 38 -12.584 2.918 4.675 1.00 0.00 C ATOM 259 O GLU A 38 -13.575 2.890 3.950 1.00 0.00 O ATOM 260 CB GLU A 38 -12.314 0.835 6.131 1.00 0.00 C ATOM 261 CG GLU A 38 -11.701 -0.568 6.055 1.00 0.00 C ATOM 262 CD GLU A 38 -12.125 -1.522 7.154 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.235 -1.105 8.331 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.202 -2.738 6.869 1.00 0.00 O ATOM 0 H GLU A 38 -10.027 1.660 6.015 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.957 1.029 4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.033 1.326 7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.402 0.779 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.963 -1.009 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.615 -0.474 6.078 1.00 0.00 H new ATOM 265 N GLN A 39 -12.166 4.042 5.264 1.00 0.00 N ATOM 266 CA GLN A 39 -12.724 5.332 4.903 1.00 0.00 C ATOM 267 C GLN A 39 -12.275 5.765 3.503 1.00 0.00 C ATOM 268 O GLN A 39 -13.111 5.976 2.628 1.00 0.00 O ATOM 269 CB GLN A 39 -12.336 6.371 5.956 1.00 0.00 C ATOM 270 CG GLN A 39 -12.878 6.046 7.352 1.00 0.00 C ATOM 271 CD GLN A 39 -14.393 5.878 7.402 1.00 0.00 C ATOM 272 OE1 GLN A 39 -15.127 6.828 7.648 1.00 0.00 O ATOM 273 NE2 GLN A 39 -14.878 4.658 7.184 1.00 0.00 N ATOM 0 H GLN A 39 -11.448 4.077 5.987 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.810 5.247 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.249 6.443 6.003 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.708 7.348 5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.408 5.129 7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.587 6.841 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.243 3.886 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.884 4.495 7.220 1.00 0.00 H new ATOM 274 N PHE A 40 -10.971 5.969 3.305 1.00 0.00 N ATOM 275 CA PHE A 40 -10.477 6.668 2.125 1.00 0.00 C ATOM 276 C PHE A 40 -10.518 5.810 0.860 1.00 0.00 C ATOM 277 O PHE A 40 -10.917 6.304 -0.192 1.00 0.00 O ATOM 278 CB PHE A 40 -9.073 7.231 2.374 1.00 0.00 C ATOM 279 CG PHE A 40 -9.004 8.250 3.492 1.00 0.00 C ATOM 280 CD1 PHE A 40 -9.712 9.462 3.376 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.204 8.016 4.624 1.00 0.00 C ATOM 282 CE1 PHE A 40 -9.669 10.406 4.414 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.175 8.951 5.671 1.00 0.00 C ATOM 284 CZ PHE A 40 -8.915 10.142 5.570 1.00 0.00 C ATOM 0 H PHE A 40 -10.242 5.659 3.948 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.157 7.501 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.399 6.407 2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.709 7.691 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.289 9.666 2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.611 7.116 4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.215 11.334 4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.584 8.755 6.554 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.904 10.855 6.381 1.00 0.00 H new ATOM 285 N LEU A 41 -10.064 4.555 0.919 1.00 0.00 N ATOM 286 CA LEU A 41 -9.931 3.732 -0.261 1.00 0.00 C ATOM 287 C LEU A 41 -11.270 3.464 -0.945 1.00 0.00 C ATOM 288 O LEU A 41 -12.057 2.648 -0.470 1.00 0.00 O ATOM 289 CB LEU A 41 -9.203 2.435 0.103 1.00 0.00 C ATOM 290 CG LEU A 41 -8.397 1.884 -1.077 1.00 0.00 C ATOM 291 CD1 LEU A 41 -7.388 2.926 -1.577 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.617 0.691 -0.540 1.00 0.00 C ATOM 0 H LEU A 41 -9.783 4.094 1.785 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.336 4.278 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.536 2.617 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.929 1.689 0.427 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.061 1.620 -1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.826 2.515 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.919 3.821 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.701 3.183 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.021 0.255 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.959 1.019 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.312 -0.056 -0.158 1.00 0.00 H new ATOM 293 N ASP A 42 -11.482 4.101 -2.100 1.00 0.00 N ATOM 294 CA ASP A 42 -12.489 3.764 -3.104 1.00 0.00 C ATOM 295 C ASP A 42 -12.818 2.268 -3.127 1.00 0.00 C ATOM 296 O ASP A 42 -13.958 1.876 -2.887 1.00 0.00 O ATOM 297 CB ASP A 42 -12.005 4.238 -4.486 1.00 0.00 C ATOM 298 CG ASP A 42 -10.505 4.068 -4.683 1.00 0.00 C ATOM 299 OD1 ASP A 42 -10.030 2.925 -4.881 1.00 0.00 O ATOM 300 OD2 ASP A 42 -9.789 5.089 -4.590 1.00 0.00 O ATOM 0 H ASP A 42 -10.924 4.910 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.413 4.277 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.533 3.681 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.266 5.288 -4.615 1.00 0.00 H new ATOM 301 N GLY A 43 -11.825 1.428 -3.424 1.00 0.00 N ATOM 302 CA GLY A 43 -12.012 -0.014 -3.529 1.00 0.00 C ATOM 303 C GLY A 43 -12.430 -0.722 -2.229 1.00 0.00 C ATOM 304 O GLY A 43 -12.766 -1.906 -2.272 1.00 0.00 O ATOM 0 H GLY A 43 -10.867 1.733 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.768 -0.211 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.082 -0.459 -3.882 1.00 0.00 H new ATOM 305 N GLY A 44 -12.406 -0.050 -1.073 1.00 0.00 N ATOM 306 CA GLY A 44 -12.666 -0.659 0.219 1.00 0.00 C ATOM 307 C GLY A 44 -11.456 -1.465 0.682 1.00 0.00 C ATOM 308 O GLY A 44 -10.474 -1.608 -0.044 1.00 0.00 O ATOM 0 H GLY A 44 -12.201 0.948 -1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.898 0.114 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.539 -1.308 0.153 1.00 0.00 H new ATOM 309 N PHE A 45 -11.510 -2.000 1.903 1.00 0.00 N ATOM 310 CA PHE A 45 -10.459 -2.897 2.368 1.00 0.00 C ATOM 311 C PHE A 45 -10.590 -4.241 1.654 1.00 0.00 C ATOM 312 O PHE A 45 -11.640 -4.876 1.735 1.00 0.00 O ATOM 313 CB PHE A 45 -10.469 -3.088 3.887 1.00 0.00 C ATOM 314 CG PHE A 45 -9.329 -3.916 4.463 1.00 0.00 C ATOM 315 CD1 PHE A 45 -8.007 -3.737 4.005 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.562 -4.717 5.597 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.929 -4.279 4.720 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.484 -5.316 6.274 1.00 0.00 C ATOM 319 CZ PHE A 45 -7.167 -5.076 5.847 1.00 0.00 C ATOM 0 H PHE A 45 -12.258 -1.830 2.575 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.501 -2.438 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.451 -2.105 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.411 -3.558 4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.824 -3.179 3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.571 -4.872 5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.916 -4.082 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.669 -5.960 7.121 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.337 -5.506 6.388 1.00 0.00 H new ATOM 320 N ASN A 46 -9.544 -4.654 0.935 1.00 0.00 N ATOM 321 CA ASN A 46 -9.428 -5.939 0.246 1.00 0.00 C ATOM 322 C ASN A 46 -8.119 -5.927 -0.534 1.00 0.00 C ATOM 323 O ASN A 46 -7.624 -4.856 -0.884 1.00 0.00 O ATOM 324 CB ASN A 46 -10.614 -6.279 -0.674 1.00 0.00 C ATOM 325 CG ASN A 46 -11.101 -5.121 -1.535 1.00 0.00 C ATOM 326 OD1 ASN A 46 -10.637 -4.938 -2.652 1.00 0.00 O ATOM 327 ND2 ASN A 46 -12.042 -4.334 -1.022 1.00 0.00 N ATOM 0 H ASN A 46 -8.715 -4.072 0.812 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.439 -6.725 1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.326 -7.103 -1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.443 -6.632 -0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.400 -3.547 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.406 -4.517 -0.087 1.00 0.00 H new ATOM 328 N ILE A 47 -7.535 -7.105 -0.774 1.00 0.00 N ATOM 329 CA ILE A 47 -6.278 -7.230 -1.484 1.00 0.00 C ATOM 330 C ILE A 47 -6.427 -6.556 -2.844 1.00 0.00 C ATOM 331 O ILE A 47 -5.556 -5.796 -3.249 1.00 0.00 O ATOM 332 CB ILE A 47 -5.916 -8.722 -1.612 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.568 -9.370 -0.258 1.00 0.00 C ATOM 334 CG2 ILE A 47 -4.778 -8.924 -2.615 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.146 -9.063 0.222 1.00 0.00 C ATOM 0 H ILE A 47 -7.930 -7.997 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.467 -6.741 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.808 -9.227 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.278 -9.025 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.690 -10.450 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.541 -9.985 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.085 -8.553 -3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.896 -8.377 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.972 -9.552 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.427 -9.433 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.025 -7.986 0.337 1.00 0.00 H new ATOM 336 N GLU A 48 -7.538 -6.819 -3.529 1.00 0.00 N ATOM 337 CA GLU A 48 -7.840 -6.294 -4.849 1.00 0.00 C ATOM 338 C GLU A 48 -7.624 -4.783 -4.875 1.00 0.00 C ATOM 339 O GLU A 48 -6.781 -4.275 -5.608 1.00 0.00 O ATOM 340 CB GLU A 48 -9.268 -6.647 -5.263 1.00 0.00 C ATOM 341 CG GLU A 48 -9.664 -8.115 -5.079 1.00 0.00 C ATOM 342 CD GLU A 48 -10.132 -8.486 -3.673 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.248 -8.742 -2.822 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.360 -8.477 -3.458 1.00 0.00 O ATOM 0 H GLU A 48 -8.274 -7.424 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.162 -6.754 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.958 -6.028 -4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.400 -6.382 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.460 -8.352 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.810 -8.741 -5.339 1.00 0.00 H new ATOM 345 N ALA A 49 -8.388 -4.080 -4.043 1.00 0.00 N ATOM 346 CA ALA A 49 -8.288 -2.640 -3.838 1.00 0.00 C ATOM 347 C ALA A 49 -6.848 -2.197 -3.579 1.00 0.00 C ATOM 348 O ALA A 49 -6.362 -1.269 -4.227 1.00 0.00 O ATOM 349 CB ALA A 49 -9.183 -2.214 -2.676 1.00 0.00 C ATOM 0 H ALA A 49 -9.117 -4.512 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.622 -2.154 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.102 -1.137 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.218 -2.473 -2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.869 -2.728 -1.767 1.00 0.00 H new ATOM 350 N ILE A 50 -6.157 -2.837 -2.629 1.00 0.00 N ATOM 351 CA ILE A 50 -4.777 -2.496 -2.338 1.00 0.00 C ATOM 352 C ILE A 50 -3.938 -2.606 -3.617 1.00 0.00 C ATOM 353 O ILE A 50 -3.331 -1.623 -4.039 1.00 0.00 O ATOM 354 CB ILE A 50 -4.243 -3.373 -1.189 1.00 0.00 C ATOM 355 CG1 ILE A 50 -4.967 -3.152 0.153 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.744 -3.146 -1.017 1.00 0.00 C ATOM 357 CD1 ILE A 50 -4.851 -1.740 0.727 1.00 0.00 C ATOM 0 H ILE A 50 -6.537 -3.590 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.709 -1.463 -1.997 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.442 -4.406 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.023 -3.389 0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.570 -3.858 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.373 -3.769 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.228 -3.409 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.559 -2.097 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.393 -1.685 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.801 -1.501 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.276 -1.025 0.023 1.00 0.00 H new ATOM 358 N VAL A 51 -3.904 -3.781 -4.248 1.00 0.00 N ATOM 359 CA VAL A 51 -3.126 -4.013 -5.448 1.00 0.00 C ATOM 360 C VAL A 51 -3.454 -2.925 -6.478 1.00 0.00 C ATOM 361 O VAL A 51 -2.562 -2.250 -6.989 1.00 0.00 O ATOM 362 CB VAL A 51 -3.433 -5.423 -5.992 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.647 -5.623 -7.278 1.00 0.00 C ATOM 364 CG2 VAL A 51 -3.012 -6.559 -5.052 1.00 0.00 C ATOM 0 H VAL A 51 -4.423 -4.600 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.060 -3.963 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.514 -5.469 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.851 -6.616 -7.679 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.944 -4.869 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.581 -5.527 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.261 -7.518 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.937 -6.508 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.538 -6.459 -4.102 1.00 0.00 H new ATOM 365 N TYR A 52 -4.748 -2.725 -6.730 1.00 0.00 N ATOM 366 CA TYR A 52 -5.263 -1.724 -7.643 1.00 0.00 C ATOM 367 C TYR A 52 -4.729 -0.327 -7.315 1.00 0.00 C ATOM 368 O TYR A 52 -4.437 0.430 -8.237 1.00 0.00 O ATOM 369 CB TYR A 52 -6.796 -1.755 -7.636 1.00 0.00 C ATOM 370 CG TYR A 52 -7.436 -0.769 -8.590 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.447 -1.041 -9.970 1.00 0.00 C ATOM 372 CD2 TYR A 52 -7.964 0.444 -8.111 1.00 0.00 C ATOM 373 CE1 TYR A 52 -7.965 -0.094 -10.871 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.495 1.384 -9.011 1.00 0.00 C ATOM 375 CZ TYR A 52 -8.484 1.120 -10.391 1.00 0.00 C ATOM 376 OH TYR A 52 -8.982 2.044 -11.259 1.00 0.00 O ATOM 0 H TYR A 52 -5.483 -3.276 -6.287 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.913 -1.963 -8.647 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.130 -2.761 -7.891 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.149 -1.549 -6.626 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.057 -1.979 -10.338 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.961 0.653 -7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.964 -0.300 -11.931 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.912 2.309 -8.642 1.00 0.00 H new ATOM 0 HH TYR A 52 -9.301 2.824 -10.759 1.00 0.00 H new ATOM 377 N GLN A 53 -4.594 0.029 -6.032 1.00 0.00 N ATOM 378 CA GLN A 53 -4.001 1.301 -5.639 1.00 0.00 C ATOM 379 C GLN A 53 -2.525 1.308 -6.027 1.00 0.00 C ATOM 380 O GLN A 53 -2.057 2.256 -6.647 1.00 0.00 O ATOM 381 CB GLN A 53 -4.172 1.536 -4.130 1.00 0.00 C ATOM 382 CG GLN A 53 -3.449 2.795 -3.617 1.00 0.00 C ATOM 383 CD GLN A 53 -4.193 4.100 -3.862 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.401 4.103 -4.093 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.483 5.224 -3.800 1.00 0.00 N ATOM 0 H GLN A 53 -4.891 -0.553 -5.249 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.510 2.113 -6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.235 1.619 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.797 0.666 -3.590 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.276 2.687 -2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.471 2.855 -4.094 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.482 5.185 -3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.940 6.124 -3.946 1.00 0.00 H new ATOM 386 N ILE A 54 -1.773 0.283 -5.619 1.00 0.00 N ATOM 387 CA ILE A 54 -0.339 0.229 -5.879 1.00 0.00 C ATOM 388 C ILE A 54 -0.076 0.349 -7.381 1.00 0.00 C ATOM 389 O ILE A 54 0.721 1.189 -7.794 1.00 0.00 O ATOM 390 CB ILE A 54 0.289 -1.024 -5.242 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.593 -0.811 -3.748 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.618 -1.389 -5.919 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.656 -0.867 -2.873 1.00 0.00 C ATOM 0 H ILE A 54 -2.137 -0.520 -5.107 1.00 0.00 H new ATOM 0 HA ILE A 54 0.152 1.079 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.442 -1.822 -5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.299 -1.572 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.080 0.155 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.035 -2.278 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.445 -1.588 -6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.319 -0.560 -5.816 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.378 -0.710 -1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.353 -0.089 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.131 -1.842 -2.979 1.00 0.00 H new ATOM 394 N GLU A 55 -0.766 -0.449 -8.196 1.00 0.00 N ATOM 395 CA GLU A 55 -0.772 -0.277 -9.626 1.00 0.00 C ATOM 396 C GLU A 55 -1.122 1.176 -9.963 1.00 0.00 C ATOM 397 O GLU A 55 -0.269 1.920 -10.436 1.00 0.00 O ATOM 398 CB GLU A 55 -1.842 -1.194 -10.206 1.00 0.00 C ATOM 399 CG GLU A 55 -1.581 -2.697 -10.265 1.00 0.00 C ATOM 400 CD GLU A 55 -2.831 -3.414 -10.783 1.00 0.00 C ATOM 401 OE1 GLU A 55 -3.758 -2.703 -11.244 1.00 0.00 O ATOM 402 OE2 GLU A 55 -2.845 -4.658 -10.697 1.00 0.00 O ATOM 0 H GLU A 55 -1.334 -1.231 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 55 0.207 -0.517 -10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.754 -1.042 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.048 -0.856 -11.222 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.733 -2.904 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.319 -3.070 -9.275 1.00 0.00 H new ATOM 403 N ASN A 56 -2.379 1.560 -9.724 1.00 0.00 N ATOM 404 CA ASN A 56 -3.064 2.698 -10.301 1.00 0.00 C ATOM 405 C ASN A 56 -3.242 3.765 -9.222 1.00 0.00 C ATOM 406 O ASN A 56 -4.362 4.124 -8.867 1.00 0.00 O ATOM 407 CB ASN A 56 -4.426 2.244 -10.864 1.00 0.00 C ATOM 408 CG ASN A 56 -4.359 0.941 -11.659 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.063 0.940 -12.848 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.624 -0.169 -10.978 1.00 0.00 N ATOM 0 H ASN A 56 -2.976 1.044 -9.078 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.481 3.121 -11.119 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.127 2.120 -10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.824 3.030 -11.505 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.586 -1.075 -11.445 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.866 -0.115 -9.989 1.00 0.00 H new ATOM 411 N GLY A 57 -2.116 4.237 -8.687 1.00 0.00 N ATOM 412 CA GLY A 57 -2.020 5.313 -7.706 1.00 0.00 C ATOM 413 C GLY A 57 -3.019 6.449 -7.938 1.00 0.00 C ATOM 414 O GLY A 57 -3.305 6.818 -9.076 1.00 0.00 O ATOM 0 H GLY A 57 -1.203 3.860 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.179 4.900 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.009 5.721 -7.725 1.00 0.00 H new ATOM 415 N LYS A 58 -3.551 6.993 -6.842 1.00 0.00 N ATOM 416 CA LYS A 58 -4.559 8.054 -6.858 1.00 0.00 C ATOM 417 C LYS A 58 -3.871 9.388 -6.558 1.00 0.00 C ATOM 418 O LYS A 58 -2.734 9.393 -6.102 1.00 0.00 O ATOM 419 CB LYS A 58 -5.652 7.764 -5.812 1.00 0.00 C ATOM 420 CG LYS A 58 -6.764 6.795 -6.245 1.00 0.00 C ATOM 421 CD LYS A 58 -6.244 5.491 -6.867 1.00 0.00 C ATOM 422 CE LYS A 58 -7.275 4.350 -6.866 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.682 3.965 -5.498 1.00 0.00 N ATOM 0 H LYS A 58 -3.288 6.703 -5.900 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.033 8.100 -7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.174 7.360 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.113 8.710 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.379 6.553 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.410 7.297 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.934 5.687 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.357 5.168 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.155 4.657 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.855 3.483 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.351 3.171 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.843 3.679 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.138 4.774 -5.031 1.00 0.00 H new ATOM 424 N GLY A 59 -4.566 10.503 -6.806 1.00 0.00 N ATOM 425 CA GLY A 59 -4.174 11.849 -6.400 1.00 0.00 C ATOM 426 C GLY A 59 -2.678 12.144 -6.522 1.00 0.00 C ATOM 427 O GLY A 59 -2.200 12.465 -7.608 1.00 0.00 O ATOM 0 H GLY A 59 -5.450 10.488 -7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.723 12.571 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.478 12.004 -5.365 1.00 0.00 H new ATOM 428 N ALA A 60 -1.958 12.080 -5.399 1.00 0.00 N ATOM 429 CA ALA A 60 -0.546 12.447 -5.300 1.00 0.00 C ATOM 430 C ALA A 60 0.361 11.233 -5.057 1.00 0.00 C ATOM 431 O ALA A 60 1.517 11.387 -4.662 1.00 0.00 O ATOM 432 CB ALA A 60 -0.391 13.507 -4.205 1.00 0.00 C ATOM 0 H ALA A 60 -2.352 11.764 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.222 12.862 -6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.658 13.791 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.985 14.384 -4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.736 13.101 -3.254 1.00 0.00 H new ATOM 433 N MET A 61 -0.143 10.025 -5.303 1.00 0.00 N ATOM 434 CA MET A 61 0.613 8.786 -5.245 1.00 0.00 C ATOM 435 C MET A 61 1.158 8.477 -6.651 1.00 0.00 C ATOM 436 O MET A 61 0.372 8.451 -7.596 1.00 0.00 O ATOM 437 CB MET A 61 -0.318 7.688 -4.725 1.00 0.00 C ATOM 438 CG MET A 61 0.334 6.312 -4.762 1.00 0.00 C ATOM 439 SD MET A 61 -0.140 5.165 -3.452 1.00 0.00 S ATOM 440 CE MET A 61 0.226 3.581 -4.236 1.00 0.00 C ATOM 0 H MET A 61 -1.121 9.883 -5.556 1.00 0.00 H new ATOM 0 HA MET A 61 1.466 8.858 -4.570 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.614 7.920 -3.702 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.228 7.673 -5.324 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.102 5.850 -5.721 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.415 6.445 -4.725 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.048 2.769 -3.562 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.344 3.493 -5.161 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.291 3.523 -4.459 1.00 0.00 H new ATOM 441 N PRO A 62 2.469 8.217 -6.830 1.00 0.00 N ATOM 442 CA PRO A 62 3.092 8.051 -8.145 1.00 0.00 C ATOM 443 C PRO A 62 2.534 6.933 -9.033 1.00 0.00 C ATOM 444 O PRO A 62 2.887 6.873 -10.214 1.00 0.00 O ATOM 445 CB PRO A 62 4.571 7.766 -7.870 1.00 0.00 C ATOM 446 CG PRO A 62 4.822 8.471 -6.545 1.00 0.00 C ATOM 447 CD PRO A 62 3.503 8.264 -5.806 1.00 0.00 C ATOM 0 HA PRO A 62 2.892 8.961 -8.710 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.769 6.696 -7.800 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.210 8.157 -8.661 1.00 0.00 H new ATOM 0 HG2 PRO A 62 5.662 8.034 -6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.048 9.528 -6.684 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.521 7.340 -5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.319 9.076 -5.103 1.00 0.00 H new ATOM 448 N ALA A 63 1.756 6.005 -8.461 1.00 0.00 N ATOM 449 CA ALA A 63 1.350 4.763 -9.102 1.00 0.00 C ATOM 450 C ALA A 63 2.585 3.891 -9.381 1.00 0.00 C ATOM 451 O ALA A 63 3.712 4.390 -9.363 1.00 0.00 O ATOM 452 CB ALA A 63 0.488 5.101 -10.328 1.00 0.00 C ATOM 0 H ALA A 63 1.386 6.107 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 63 0.722 4.153 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.176 4.179 -10.819 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.393 5.659 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.068 5.705 -11.025 1.00 0.00 H new ATOM 453 N TRP A 64 2.418 2.579 -9.567 1.00 0.00 N ATOM 454 CA TRP A 64 3.542 1.657 -9.754 1.00 0.00 C ATOM 455 C TRP A 64 3.283 0.681 -10.904 1.00 0.00 C ATOM 456 O TRP A 64 3.975 -0.332 -11.035 1.00 0.00 O ATOM 457 CB TRP A 64 3.872 0.961 -8.426 1.00 0.00 C ATOM 458 CG TRP A 64 4.295 1.889 -7.326 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.481 2.586 -6.500 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.650 2.277 -6.963 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.238 3.371 -5.655 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.590 3.215 -5.894 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.928 1.920 -7.434 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.745 3.763 -5.318 1.00 0.00 C ATOM 465 CZ3 TRP A 64 8.094 2.480 -6.881 1.00 0.00 C ATOM 466 CH2 TRP A 64 8.003 3.399 -5.821 1.00 0.00 C ATOM 0 H TRP A 64 1.504 2.127 -9.592 1.00 0.00 H new ATOM 0 HA TRP A 64 4.425 2.223 -10.049 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.996 0.402 -8.096 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.667 0.236 -8.598 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.402 2.535 -6.502 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.849 3.989 -4.943 1.00 0.00 H new ATOM 0 HE3 TRP A 64 7.015 1.202 -8.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.667 4.458 -4.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 9.062 2.203 -7.272 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.900 3.824 -5.395 1.00 0.00 H new ATOM 467 N ASP A 65 2.349 1.038 -11.790 1.00 0.00 N ATOM 468 CA ASP A 65 2.077 0.387 -13.050 1.00 0.00 C ATOM 469 C ASP A 65 3.365 0.081 -13.821 1.00 0.00 C ATOM 470 O ASP A 65 4.108 0.977 -14.220 1.00 0.00 O ATOM 471 CB ASP A 65 1.125 1.295 -13.846 1.00 0.00 C ATOM 472 CG ASP A 65 1.591 2.745 -13.895 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.439 3.426 -12.858 1.00 0.00 O ATOM 474 OD2 ASP A 65 2.208 3.165 -14.898 1.00 0.00 O ATOM 0 H ASP A 65 1.734 1.835 -11.627 1.00 0.00 H new ATOM 0 HA ASP A 65 1.606 -0.581 -12.879 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.033 0.914 -14.863 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.132 1.253 -13.399 1.00 0.00 H new ATOM 475 N GLY A 66 3.651 -1.214 -13.980 1.00 0.00 N ATOM 476 CA GLY A 66 4.814 -1.722 -14.693 1.00 0.00 C ATOM 477 C GLY A 66 6.147 -1.231 -14.126 1.00 0.00 C ATOM 478 O GLY A 66 7.164 -1.321 -14.810 1.00 0.00 O ATOM 0 H GLY A 66 3.060 -1.955 -13.603 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.798 -2.812 -14.667 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.744 -1.427 -15.740 1.00 0.00 H new ATOM 479 N ARG A 67 6.162 -0.720 -12.890 1.00 0.00 N ATOM 480 CA ARG A 67 7.387 -0.310 -12.219 1.00 0.00 C ATOM 481 C ARG A 67 7.917 -1.482 -11.404 1.00 0.00 C ATOM 482 O ARG A 67 9.114 -1.761 -11.416 1.00 0.00 O ATOM 483 CB ARG A 67 7.118 0.895 -11.313 1.00 0.00 C ATOM 484 CG ARG A 67 6.393 2.006 -12.078 1.00 0.00 C ATOM 485 CD ARG A 67 6.419 3.320 -11.291 1.00 0.00 C ATOM 486 NE ARG A 67 5.259 4.213 -11.483 1.00 0.00 N ATOM 487 CZ ARG A 67 4.375 4.338 -12.490 1.00 0.00 C ATOM 488 NH1 ARG A 67 4.491 3.680 -13.645 1.00 0.00 N ATOM 489 NH2 ARG A 67 3.316 5.125 -12.300 1.00 0.00 N ATOM 0 H ARG A 67 5.320 -0.581 -12.331 1.00 0.00 H new ATOM 0 HA ARG A 67 8.131 -0.016 -12.959 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.517 0.585 -10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.060 1.275 -10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.864 2.151 -13.050 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.361 1.710 -12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.498 3.083 -10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.322 3.866 -11.564 1.00 0.00 H new ATOM 0 HE ARG A 67 5.097 4.855 -10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.277 3.048 -13.795 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.793 3.809 -14.378 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.195 5.611 -11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.627 5.241 -13.043 1.00 0.00 H new ATOM 490 N LEU A 68 7.004 -2.144 -10.692 1.00 0.00 N ATOM 491 CA LEU A 68 7.282 -3.336 -9.901 1.00 0.00 C ATOM 492 C LEU A 68 6.798 -4.565 -10.688 1.00 0.00 C ATOM 493 O LEU A 68 5.933 -4.424 -11.555 1.00 0.00 O ATOM 494 CB LEU A 68 6.560 -3.205 -8.549 1.00 0.00 C ATOM 495 CG LEU A 68 6.978 -1.980 -7.717 1.00 0.00 C ATOM 496 CD1 LEU A 68 6.048 -1.839 -6.507 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.422 -2.045 -7.208 1.00 0.00 C ATOM 0 H LEU A 68 6.026 -1.856 -10.651 1.00 0.00 H new ATOM 0 HA LEU A 68 8.349 -3.450 -9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.486 -3.157 -8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.745 -4.106 -7.964 1.00 0.00 H new ATOM 0 HG LEU A 68 6.905 -1.122 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.345 -0.971 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.021 -1.710 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.115 -2.735 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.645 -1.148 -6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.546 -2.924 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.104 -2.109 -8.056 1.00 0.00 H new ATOM 498 N ASP A 69 7.340 -5.755 -10.403 1.00 0.00 N ATOM 499 CA ASP A 69 6.848 -7.005 -10.994 1.00 0.00 C ATOM 500 C ASP A 69 5.467 -7.335 -10.436 1.00 0.00 C ATOM 501 O ASP A 69 5.041 -6.800 -9.422 1.00 0.00 O ATOM 502 CB ASP A 69 7.820 -8.163 -10.733 1.00 0.00 C ATOM 503 CG ASP A 69 7.522 -9.457 -11.476 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.591 -10.156 -11.018 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.196 -9.708 -12.495 1.00 0.00 O ATOM 0 H ASP A 69 8.124 -5.878 -9.763 1.00 0.00 H new ATOM 0 HA ASP A 69 6.775 -6.868 -12.073 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.825 -7.836 -11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.826 -8.373 -9.663 1.00 0.00 H new ATOM 506 N GLU A 70 4.790 -8.275 -11.073 1.00 0.00 N ATOM 507 CA GLU A 70 3.489 -8.761 -10.643 1.00 0.00 C ATOM 508 C GLU A 70 3.609 -9.385 -9.251 1.00 0.00 C ATOM 509 O GLU A 70 2.795 -9.117 -8.364 1.00 0.00 O ATOM 510 CB GLU A 70 2.942 -9.778 -11.655 1.00 0.00 C ATOM 511 CG GLU A 70 2.685 -9.146 -13.033 1.00 0.00 C ATOM 512 CD GLU A 70 2.063 -10.133 -14.019 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.347 -11.044 -13.550 1.00 0.00 O ATOM 514 OE2 GLU A 70 2.304 -9.949 -15.231 1.00 0.00 O ATOM 0 H GLU A 70 5.135 -8.730 -11.918 1.00 0.00 H new ATOM 0 HA GLU A 70 2.789 -7.927 -10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.650 -10.600 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.014 -10.204 -11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.025 -8.286 -12.918 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.625 -8.774 -13.440 1.00 0.00 H new ATOM 515 N ASP A 71 4.635 -10.217 -9.056 1.00 0.00 N ATOM 516 CA ASP A 71 4.842 -10.923 -7.798 1.00 0.00 C ATOM 517 C ASP A 71 5.133 -9.911 -6.688 1.00 0.00 C ATOM 518 O ASP A 71 4.542 -9.931 -5.611 1.00 0.00 O ATOM 519 CB ASP A 71 5.997 -11.913 -7.979 1.00 0.00 C ATOM 520 CG ASP A 71 6.013 -12.956 -6.881 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.128 -13.842 -6.901 1.00 0.00 O ATOM 522 OD2 ASP A 71 6.949 -12.964 -6.053 1.00 0.00 O ATOM 0 H ASP A 71 5.341 -10.417 -9.765 1.00 0.00 H new ATOM 0 HA ASP A 71 3.949 -11.479 -7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.907 -12.405 -8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.944 -11.372 -7.982 1.00 0.00 H new ATOM 523 N GLU A 72 6.033 -8.984 -7.004 1.00 0.00 N ATOM 524 CA GLU A 72 6.437 -7.865 -6.185 1.00 0.00 C ATOM 525 C GLU A 72 5.216 -7.050 -5.732 1.00 0.00 C ATOM 526 O GLU A 72 4.933 -6.964 -4.534 1.00 0.00 O ATOM 527 CB GLU A 72 7.430 -7.083 -7.048 1.00 0.00 C ATOM 528 CG GLU A 72 8.178 -6.021 -6.282 1.00 0.00 C ATOM 529 CD GLU A 72 9.265 -5.372 -7.128 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.098 -5.389 -8.367 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.233 -4.873 -6.517 1.00 0.00 O ATOM 0 H GLU A 72 6.526 -9.003 -7.897 1.00 0.00 H new ATOM 0 HA GLU A 72 6.913 -8.163 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.146 -7.778 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.894 -6.616 -7.874 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.478 -5.258 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.626 -6.463 -5.392 1.00 0.00 H new ATOM 532 N ILE A 73 4.470 -6.493 -6.693 1.00 0.00 N ATOM 533 CA ILE A 73 3.185 -5.818 -6.492 1.00 0.00 C ATOM 534 C ILE A 73 2.314 -6.635 -5.531 1.00 0.00 C ATOM 535 O ILE A 73 1.844 -6.137 -4.507 1.00 0.00 O ATOM 536 CB ILE A 73 2.461 -5.639 -7.847 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.165 -4.681 -8.820 1.00 0.00 C ATOM 538 CG2 ILE A 73 1.004 -5.211 -7.672 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.825 -3.197 -8.683 1.00 0.00 C ATOM 0 H ILE A 73 4.758 -6.501 -7.671 1.00 0.00 H new ATOM 0 HA ILE A 73 3.364 -4.834 -6.059 1.00 0.00 H new ATOM 0 HB ILE A 73 2.495 -6.631 -8.297 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.241 -4.797 -8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.928 -4.993 -9.837 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.538 -5.098 -8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.468 -5.969 -7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.965 -4.260 -7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.384 -2.626 -9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.757 -3.052 -8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.091 -2.854 -7.683 1.00 0.00 H new ATOM 540 N ALA A 74 2.082 -7.903 -5.868 1.00 0.00 N ATOM 541 CA ALA A 74 1.242 -8.772 -5.058 1.00 0.00 C ATOM 542 C ALA A 74 1.775 -8.900 -3.625 1.00 0.00 C ATOM 543 O ALA A 74 0.991 -8.933 -2.676 1.00 0.00 O ATOM 544 CB ALA A 74 1.096 -10.139 -5.728 1.00 0.00 C ATOM 0 H ALA A 74 2.467 -8.349 -6.700 1.00 0.00 H new ATOM 0 HA ALA A 74 0.253 -8.319 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.465 -10.780 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.639 -10.016 -6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.079 -10.596 -5.840 1.00 0.00 H new ATOM 545 N GLY A 75 3.099 -8.963 -3.452 1.00 0.00 N ATOM 546 CA GLY A 75 3.711 -9.174 -2.157 1.00 0.00 C ATOM 547 C GLY A 75 3.535 -7.923 -1.317 1.00 0.00 C ATOM 548 O GLY A 75 3.107 -7.991 -0.167 1.00 0.00 O ATOM 0 H GLY A 75 3.769 -8.868 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.253 -10.029 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.770 -9.403 -2.274 1.00 0.00 H new ATOM 549 N VAL A 76 3.846 -6.762 -1.897 1.00 0.00 N ATOM 550 CA VAL A 76 3.711 -5.500 -1.192 1.00 0.00 C ATOM 551 C VAL A 76 2.247 -5.273 -0.813 1.00 0.00 C ATOM 552 O VAL A 76 1.961 -4.900 0.326 1.00 0.00 O ATOM 553 CB VAL A 76 4.383 -4.364 -1.985 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.483 -3.622 -2.974 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.922 -3.297 -1.023 1.00 0.00 C ATOM 0 H VAL A 76 4.192 -6.677 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 76 4.250 -5.521 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 76 5.159 -4.874 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.058 -2.844 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.099 -4.324 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.650 -3.168 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.395 -2.498 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.100 -2.886 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.655 -3.748 -0.353 1.00 0.00 H new ATOM 556 N ALA A 77 1.311 -5.557 -1.730 1.00 0.00 N ATOM 557 CA ALA A 77 -0.100 -5.515 -1.398 1.00 0.00 C ATOM 558 C ALA A 77 -0.425 -6.429 -0.212 1.00 0.00 C ATOM 559 O ALA A 77 -0.975 -5.964 0.783 1.00 0.00 O ATOM 560 CB ALA A 77 -0.936 -5.881 -2.619 1.00 0.00 C ATOM 0 H ALA A 77 1.514 -5.815 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.350 -4.498 -1.097 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.994 -5.847 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.736 -5.172 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.676 -6.887 -2.950 1.00 0.00 H new ATOM 561 N ALA A 78 -0.089 -7.719 -0.306 1.00 0.00 N ATOM 562 CA ALA A 78 -0.291 -8.678 0.775 1.00 0.00 C ATOM 563 C ALA A 78 0.276 -8.176 2.110 1.00 0.00 C ATOM 564 O ALA A 78 -0.398 -8.243 3.135 1.00 0.00 O ATOM 565 CB ALA A 78 0.309 -10.033 0.391 1.00 0.00 C ATOM 0 H ALA A 78 0.333 -8.126 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.365 -8.796 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.154 -10.743 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.176 -10.403 -0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.377 -9.919 0.208 1.00 0.00 H new ATOM 566 N TYR A 79 1.509 -7.665 2.112 1.00 0.00 N ATOM 567 CA TYR A 79 2.155 -7.150 3.312 1.00 0.00 C ATOM 568 C TYR A 79 1.360 -6.000 3.915 1.00 0.00 C ATOM 569 O TYR A 79 1.028 -6.017 5.098 1.00 0.00 O ATOM 570 CB TYR A 79 3.572 -6.682 2.965 1.00 0.00 C ATOM 571 CG TYR A 79 4.335 -6.088 4.132 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.589 -6.877 5.267 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.671 -4.719 4.144 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.120 -6.294 6.428 1.00 0.00 C ATOM 575 CE2 TYR A 79 5.246 -4.147 5.293 1.00 0.00 C ATOM 576 CZ TYR A 79 5.445 -4.928 6.443 1.00 0.00 C ATOM 577 OH TYR A 79 5.860 -4.347 7.602 1.00 0.00 O ATOM 0 H TYR A 79 2.087 -7.598 1.274 1.00 0.00 H new ATOM 0 HA TYR A 79 2.201 -7.950 4.051 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.135 -7.528 2.570 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.512 -5.940 2.169 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.375 -7.935 5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.487 -4.110 3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.279 -6.896 7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.535 -3.106 5.291 1.00 0.00 H new ATOM 0 HH TYR A 79 5.353 -4.718 8.354 1.00 0.00 H new ATOM 578 N VAL A 80 1.062 -4.989 3.102 1.00 0.00 N ATOM 579 CA VAL A 80 0.259 -3.862 3.520 1.00 0.00 C ATOM 580 C VAL A 80 -1.079 -4.354 4.084 1.00 0.00 C ATOM 581 O VAL A 80 -1.513 -3.897 5.140 1.00 0.00 O ATOM 582 CB VAL A 80 0.120 -2.924 2.314 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.066 -1.983 2.466 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.406 -2.106 2.140 1.00 0.00 C ATOM 0 H VAL A 80 1.376 -4.936 2.133 1.00 0.00 H new ATOM 0 HA VAL A 80 0.726 -3.302 4.330 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.051 -3.541 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.131 -1.335 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.983 -2.565 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.935 -1.374 3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.301 -1.442 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.585 -1.514 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.247 -2.780 1.976 1.00 0.00 H new ATOM 585 N TYR A 81 -1.727 -5.295 3.393 1.00 0.00 N ATOM 586 CA TYR A 81 -2.979 -5.879 3.841 1.00 0.00 C ATOM 587 C TYR A 81 -2.822 -6.496 5.225 1.00 0.00 C ATOM 588 O TYR A 81 -3.623 -6.209 6.108 1.00 0.00 O ATOM 589 CB TYR A 81 -3.470 -6.923 2.840 1.00 0.00 C ATOM 590 CG TYR A 81 -4.871 -7.428 3.126 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.990 -6.686 2.705 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.056 -8.597 3.888 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.282 -7.092 3.077 1.00 0.00 C ATOM 594 CE2 TYR A 81 -6.351 -9.019 4.232 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.464 -8.257 3.839 1.00 0.00 C ATOM 596 OH TYR A 81 -8.722 -8.646 4.190 1.00 0.00 O ATOM 0 H TYR A 81 -1.392 -5.670 2.506 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.723 -5.085 3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.445 -6.493 1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.781 -7.768 2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.855 -5.804 2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.200 -9.171 4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.138 -6.506 2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.491 -9.928 4.798 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.674 -9.472 4.715 1.00 0.00 H new ATOM 597 N ASP A 82 -1.804 -7.338 5.413 1.00 0.00 N ATOM 598 CA ASP A 82 -1.522 -7.948 6.712 1.00 0.00 C ATOM 599 C ASP A 82 -1.354 -6.874 7.786 1.00 0.00 C ATOM 600 O ASP A 82 -2.036 -6.885 8.814 1.00 0.00 O ATOM 601 CB ASP A 82 -0.256 -8.818 6.683 1.00 0.00 C ATOM 602 CG ASP A 82 -0.024 -9.401 8.075 1.00 0.00 C ATOM 603 OD1 ASP A 82 -1.008 -9.819 8.725 1.00 0.00 O ATOM 604 OD2 ASP A 82 1.114 -9.331 8.590 1.00 0.00 O ATOM 0 H ASP A 82 -1.157 -7.614 4.675 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.375 -8.585 6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.366 -9.619 5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.604 -8.222 6.376 1.00 0.00 H new ATOM 605 N GLN A 83 -0.425 -5.943 7.537 1.00 0.00 N ATOM 606 CA GLN A 83 -0.133 -4.841 8.428 1.00 0.00 C ATOM 607 C GLN A 83 -1.422 -4.147 8.849 1.00 0.00 C ATOM 608 O GLN A 83 -1.680 -4.012 10.043 1.00 0.00 O ATOM 609 CB GLN A 83 0.827 -3.855 7.770 1.00 0.00 C ATOM 610 CG GLN A 83 2.280 -4.320 7.698 1.00 0.00 C ATOM 611 CD GLN A 83 3.012 -4.389 9.040 1.00 0.00 C ATOM 612 OE1 GLN A 83 3.849 -5.265 9.243 1.00 0.00 O ATOM 613 NE2 GLN A 83 2.733 -3.475 9.962 1.00 0.00 N ATOM 0 H GLN A 83 0.148 -5.945 6.693 1.00 0.00 H new ATOM 0 HA GLN A 83 0.352 -5.235 9.321 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.476 -3.650 6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.789 -2.913 8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.306 -5.308 7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.827 -3.647 7.038 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.034 -2.756 9.773 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.217 -3.492 10.860 1.00 0.00 H new ATOM 614 N ALA A 84 -2.231 -3.733 7.873 1.00 0.00 N ATOM 615 CA ALA A 84 -3.511 -3.088 8.104 1.00 0.00 C ATOM 616 C ALA A 84 -4.454 -3.992 8.903 1.00 0.00 C ATOM 617 O ALA A 84 -5.012 -3.551 9.902 1.00 0.00 O ATOM 618 CB ALA A 84 -4.127 -2.683 6.764 1.00 0.00 C ATOM 0 H ALA A 84 -2.005 -3.841 6.884 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.351 -2.191 8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.088 -2.199 6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.459 -1.991 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.273 -3.570 6.148 1.00 0.00 H new ATOM 619 N ALA A 85 -4.630 -5.247 8.482 1.00 0.00 N ATOM 620 CA ALA A 85 -5.558 -6.203 9.077 1.00 0.00 C ATOM 621 C ALA A 85 -5.270 -6.386 10.565 1.00 0.00 C ATOM 622 O ALA A 85 -6.161 -6.224 11.396 1.00 0.00 O ATOM 623 CB ALA A 85 -5.475 -7.554 8.354 1.00 0.00 C ATOM 0 H ALA A 85 -4.113 -5.635 7.693 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.567 -5.807 8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.174 -8.255 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.730 -7.420 7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.462 -7.948 8.434 1.00 0.00 H new ATOM 624 N GLY A 86 -4.019 -6.714 10.898 1.00 0.00 N ATOM 625 CA GLY A 86 -3.588 -6.802 12.287 1.00 0.00 C ATOM 626 C GLY A 86 -3.477 -5.419 12.933 1.00 0.00 C ATOM 627 O GLY A 86 -3.374 -5.314 14.152 1.00 0.00 O ATOM 0 H GLY A 86 -3.288 -6.923 10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.295 -7.411 12.850 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.623 -7.306 12.337 1.00 0.00 H new ATOM 628 N ASN A 87 -3.449 -4.364 12.113 1.00 0.00 N ATOM 629 CA ASN A 87 -3.127 -2.995 12.480 1.00 0.00 C ATOM 630 C ASN A 87 -1.780 -2.964 13.203 1.00 0.00 C ATOM 631 O ASN A 87 -1.615 -2.254 14.193 1.00 0.00 O ATOM 632 CB ASN A 87 -4.286 -2.356 13.258 1.00 0.00 C ATOM 633 CG ASN A 87 -4.282 -0.834 13.125 1.00 0.00 C ATOM 634 OD1 ASN A 87 -5.152 -0.264 12.473 1.00 0.00 O ATOM 635 ND2 ASN A 87 -3.305 -0.160 13.721 1.00 0.00 N ATOM 0 H ASN A 87 -3.664 -4.455 11.120 1.00 0.00 H new ATOM 0 HA ASN A 87 -3.010 -2.376 11.590 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.233 -2.751 12.891 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.213 -2.630 14.310 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.265 0.856 13.643 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.595 -0.659 14.257 1.00 0.00 H new ATOM 636 N LYS A 88 -0.815 -3.748 12.703 1.00 0.00 N ATOM 637 CA LYS A 88 0.435 -4.031 13.382 1.00 0.00 C ATOM 638 C LYS A 88 1.566 -3.134 12.857 1.00 0.00 C ATOM 639 O LYS A 88 2.712 -3.573 12.741 1.00 0.00 O ATOM 640 CB LYS A 88 0.705 -5.545 13.274 1.00 0.00 C ATOM 641 CG LYS A 88 1.202 -6.030 11.902 1.00 0.00 C ATOM 642 CD LYS A 88 0.335 -7.090 11.202 1.00 0.00 C ATOM 643 CE LYS A 88 0.281 -8.436 11.938 1.00 0.00 C ATOM 644 NZ LYS A 88 0.144 -9.567 10.993 1.00 0.00 N ATOM 0 H LYS A 88 -0.893 -4.208 11.796 1.00 0.00 H new ATOM 0 HA LYS A 88 0.375 -3.786 14.443 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.444 -5.820 14.027 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.213 -6.079 13.518 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.286 -5.166 11.243 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.206 -6.435 12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.679 -6.704 11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.720 -7.253 10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.187 -8.564 12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.558 -8.438 12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.076 -10.458 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.715 -9.439 10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.974 -9.599 10.368 1.00 0.00 H new ATOM 645 N TRP A 89 1.230 -1.898 12.478 1.00 0.00 N ATOM 646 CA TRP A 89 2.204 -0.846 12.243 1.00 0.00 C ATOM 647 C TRP A 89 2.779 -0.384 13.581 1.00 0.00 C ATOM 648 O TRP A 89 2.005 -0.391 14.565 1.00 0.00 O ATOM 649 CB TRP A 89 1.510 0.315 11.529 1.00 0.00 C ATOM 650 CG TRP A 89 1.059 0.001 10.139 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.220 -0.087 9.717 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.886 -0.305 8.979 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.233 -0.390 8.374 1.00 0.00 N ATOM 654 CE2 TRP A 89 1.036 -0.500 7.854 1.00 0.00 C ATOM 655 CE3 TRP A 89 3.270 -0.461 8.767 1.00 0.00 C ATOM 656 CZ2 TRP A 89 1.528 -0.798 6.574 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.768 -0.843 7.510 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.911 -0.962 6.402 1.00 0.00 C ATOM 659 OXT TRP A 89 3.976 -0.026 13.594 1.00 0.00 O ATOM 0 H TRP A 89 0.265 -1.604 12.326 1.00 0.00 H new ATOM 0 HA TRP A 89 3.020 -1.214 11.621 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.646 0.624 12.118 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.192 1.164 11.494 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.094 0.057 10.335 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.085 -0.518 7.828 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.957 -0.285 9.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.854 -0.899 5.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.822 -1.048 7.394 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.315 -1.178 5.424 1.00 0.00 H new TER 660 TRP A 89 HETATM 661 FE HEM A 90 0.943 5.185 -1.322 1.00 0.00 FE HETATM 662 CHA HEM A 90 -2.373 6.015 -0.628 1.00 0.00 C HETATM 663 CHB HEM A 90 0.298 1.880 -0.692 1.00 0.00 C HETATM 664 CHC HEM A 90 4.158 4.428 -2.383 1.00 0.00 C HETATM 665 CHD HEM A 90 1.661 8.585 -1.688 1.00 0.00 C HETATM 666 NA HEM A 90 -0.740 4.135 -0.798 1.00 0.00 N HETATM 667 C1A HEM A 90 -1.973 4.677 -0.553 1.00 0.00 C HETATM 668 C2A HEM A 90 -2.836 3.601 -0.125 1.00 0.00 C HETATM 669 C3A HEM A 90 -2.092 2.444 -0.144 1.00 0.00 C HETATM 670 C4A HEM A 90 -0.755 2.793 -0.565 1.00 0.00 C HETATM 671 CMA HEM A 90 -2.579 1.063 0.215 1.00 0.00 C HETATM 672 CAA HEM A 90 -4.234 3.761 0.420 1.00 0.00 C HETATM 673 CBA HEM A 90 -4.207 4.157 1.898 1.00 0.00 C HETATM 674 CGA HEM A 90 -5.587 4.523 2.424 1.00 0.00 C HETATM 675 O1A HEM A 90 -6.573 4.163 1.749 1.00 0.00 O HETATM 676 O2A HEM A 90 -5.624 5.227 3.455 1.00 0.00 O HETATM 677 NB HEM A 90 2.031 3.453 -1.527 1.00 0.00 N HETATM 678 C1B HEM A 90 1.565 2.214 -1.191 1.00 0.00 C HETATM 679 C2B HEM A 90 2.639 1.274 -1.428 1.00 0.00 C HETATM 680 C3B HEM A 90 3.688 1.976 -1.989 1.00 0.00 C HETATM 681 C4B HEM A 90 3.314 3.375 -1.998 1.00 0.00 C HETATM 682 CMB HEM A 90 2.652 -0.191 -1.043 1.00 0.00 C HETATM 683 CAB HEM A 90 5.011 1.397 -2.455 1.00 0.00 C HETATM 684 CBB HEM A 90 4.901 0.521 -3.706 1.00 0.00 C HETATM 685 NC HEM A 90 2.606 6.309 -1.955 1.00 0.00 N HETATM 686 C1C HEM A 90 3.809 5.776 -2.299 1.00 0.00 C HETATM 687 C2C HEM A 90 4.724 6.872 -2.536 1.00 0.00 C HETATM 688 C3C HEM A 90 4.050 8.040 -2.246 1.00 0.00 C HETATM 689 C4C HEM A 90 2.679 7.673 -1.961 1.00 0.00 C HETATM 690 CMC HEM A 90 6.184 6.748 -2.917 1.00 0.00 C HETATM 691 CAC HEM A 90 4.670 9.406 -1.983 1.00 0.00 C HETATM 692 CBC HEM A 90 5.231 10.126 -3.213 1.00 0.00 C HETATM 693 ND HEM A 90 -0.161 6.984 -1.183 1.00 0.00 N HETATM 694 C1D HEM A 90 0.355 8.230 -1.368 1.00 0.00 C HETATM 695 C2D HEM A 90 -0.726 9.175 -1.228 1.00 0.00 C HETATM 696 C3D HEM A 90 -1.874 8.452 -1.012 1.00 0.00 C HETATM 697 C4D HEM A 90 -1.497 7.061 -0.918 1.00 0.00 C HETATM 698 CMD HEM A 90 -0.654 10.664 -1.458 1.00 0.00 C HETATM 699 CAD HEM A 90 -3.280 9.002 -1.025 1.00 0.00 C HETATM 700 CBD HEM A 90 -3.990 8.812 -2.375 1.00 0.00 C HETATM 701 CGD HEM A 90 -4.178 10.113 -3.155 1.00 0.00 C HETATM 702 O1D HEM A 90 -5.300 10.294 -3.675 1.00 0.00 O HETATM 703 O2D HEM A 90 -3.212 10.903 -3.240 1.00 0.00 O HETATM 0 HMA1 HEM A 90 -2.020 0.321 -0.354 1.00 0.00 H new HETATM 0 HMA2 HEM A 90 -3.640 0.978 -0.022 1.00 0.00 H new HETATM 0 HMA3 HEM A 90 -2.430 0.890 1.281 1.00 0.00 H new HETATM 0 HMB1 HEM A 90 3.263 -0.748 -1.753 1.00 0.00 H new HETATM 0 HMB2 HEM A 90 1.634 -0.580 -1.057 1.00 0.00 H new HETATM 0 HMB3 HEM A 90 3.068 -0.300 -0.041 1.00 0.00 H new HETATM 0 HMC1 HEM A 90 6.594 5.831 -2.494 1.00 0.00 H new HETATM 0 HMC2 HEM A 90 6.735 7.604 -2.529 1.00 0.00 H new HETATM 0 HMC3 HEM A 90 6.276 6.720 -4.003 1.00 0.00 H new HETATM 0 HMD1 HEM A 90 0.351 11.019 -1.229 1.00 0.00 H new HETATM 0 HMD2 HEM A 90 -1.373 11.167 -0.812 1.00 0.00 H new HETATM 0 HMD3 HEM A 90 -0.887 10.883 -2.500 1.00 0.00 H new HETATM 0 HBB1 HEM A 90 5.793 0.055 -4.125 1.00 0.00 H new HETATM 0 HBB2 HEM A 90 3.931 0.363 -4.177 1.00 0.00 H new HETATM 0 HBC1 HEM A 90 5.691 11.108 -3.107 1.00 0.00 H new HETATM 0 HBC2 HEM A 90 5.170 9.656 -4.195 1.00 0.00 H new HETATM 0 HBA1 HEM A 90 -3.533 5.003 2.033 1.00 0.00 H new HETATM 0 HBA2 HEM A 90 -3.804 3.332 2.485 1.00 0.00 H new HETATM 0 HAA1 HEM A 90 -4.783 2.827 0.300 1.00 0.00 H new HETATM 0 HAA2 HEM A 90 -4.767 4.520 -0.153 1.00 0.00 H new HETATM 0 HBD1 HEM A 90 -4.965 8.357 -2.202 1.00 0.00 H new HETATM 0 HBD2 HEM A 90 -3.416 8.113 -2.983 1.00 0.00 H new HETATM 0 HAD1 HEM A 90 -3.250 10.064 -0.783 1.00 0.00 H new HETATM 0 HAD2 HEM A 90 -3.862 8.514 -0.243 1.00 0.00 H new HETATM 0 HHA HEM A 90 -3.412 6.250 -0.453 1.00 0.00 H new HETATM 0 HHB HEM A 90 0.125 0.858 -0.388 1.00 0.00 H new HETATM 0 HHC HEM A 90 5.136 4.180 -2.767 1.00 0.00 H new HETATM 0 HHD HEM A 90 1.902 9.637 -1.728 1.00 0.00 H new HETATM 0 HAB HEM A 90 5.955 1.588 -1.945 1.00 0.00 H new HETATM 0 HAC HEM A 90 4.712 9.843 -0.985 1.00 0.00 H new