USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN :FLIP amide:sc= -11.1! C(o=-19!,f=-17!) USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -6.03! C(o=-18!,f=-17!) USER MOD Single : A 22 MET CE :methyl 169:sc= -1.09 (180deg=-1.63) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -11.8! C(o=-12!,f=-20!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.183) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.04! C(o=-4.9!,f=-2!) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -2.01 F(o=-7.3!,f=-2) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= -5.18! (180deg=-5.49!) USER MOD Single : A 60 LYS NZ :NH3+ -123:sc= -2.05 (180deg=-4.63!) USER MOD Single : A 61 LYS NZ :NH3+ 140:sc= -0.308 (180deg=-1.77!) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= -0.325 (180deg=-1.72!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.627 F(o=-1.8!,f=-0.63) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 121:sc= -13.9! USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= -0.152 (180deg=-0.845) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -9.33! C(o=-9.3!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 59.983 52.945-129.101 1.00 3.57 N ATOM 2 CA GLY A 17 59.620 53.056-127.621 1.00 2.94 C ATOM 3 C GLY A 17 60.084 52.001-126.675 1.00 2.17 C ATOM 4 O GLY A 17 60.270 50.864-127.043 1.00 2.41 O ATOM 0 HA2 GLY A 17 60.003 54.011-127.260 1.00 2.94 H new ATOM 0 HA3 GLY A 17 58.533 53.102-127.553 1.00 2.94 H new ATOM 8 N GLU A 18 60.251 52.342-125.429 1.00 1.64 N ATOM 9 CA GLU A 18 60.690 51.331-124.425 1.00 0.99 C ATOM 10 C GLU A 18 61.980 50.631-124.878 1.00 0.98 C ATOM 11 O GLU A 18 62.240 50.470-126.050 1.00 1.60 O ATOM 12 CB GLU A 18 59.586 50.289-124.246 1.00 1.22 C ATOM 13 CG GLU A 18 58.272 50.991-123.894 1.00 1.64 C ATOM 14 CD GLU A 18 57.559 51.415-125.180 1.00 2.48 C ATOM 15 OE1 GLU A 18 57.820 50.808-126.206 1.00 3.09 O ATOM 16 OE2 GLU A 18 56.765 52.338-125.116 1.00 3.13 O ATOM 0 H GLU A 18 60.102 53.281-125.060 1.00 1.64 H new ATOM 0 HA GLU A 18 60.886 51.840-123.481 1.00 0.99 H new ATOM 0 HB2 GLU A 18 59.467 49.709-125.161 1.00 1.22 H new ATOM 0 HB3 GLU A 18 59.858 49.587-123.457 1.00 1.22 H new ATOM 0 HG2 GLU A 18 57.634 50.323-123.315 1.00 1.64 H new ATOM 0 HG3 GLU A 18 58.469 51.863-123.270 1.00 1.64 H new ATOM 23 N GLU A 19 62.787 50.243-123.927 1.00 0.57 N ATOM 24 CA GLU A 19 64.088 49.564-124.237 1.00 0.55 C ATOM 25 C GLU A 19 64.144 49.156-125.720 1.00 0.56 C ATOM 26 O GLU A 19 65.093 49.461-126.417 1.00 0.63 O ATOM 27 CB GLU A 19 64.258 48.326-123.347 1.00 0.45 C ATOM 28 CG GLU A 19 62.950 47.539-123.279 1.00 0.38 C ATOM 29 CD GLU A 19 61.916 48.330-122.476 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.281 49.353-121.922 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.777 47.897-122.426 1.00 2.06 O ATOM 0 H GLU A 19 62.600 50.368-122.932 1.00 0.57 H new ATOM 0 HA GLU A 19 64.900 50.263-124.038 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.052 47.692-123.742 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.561 48.629-122.345 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.576 47.349-124.285 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.122 46.568-122.814 1.00 0.38 H new ATOM 38 N PHE A 20 63.132 48.496-126.214 1.00 0.51 N ATOM 39 CA PHE A 20 63.121 48.098-127.660 1.00 0.54 C ATOM 40 C PHE A 20 62.055 48.928-128.374 1.00 0.55 C ATOM 41 O PHE A 20 61.567 49.889-127.831 1.00 0.57 O ATOM 42 CB PHE A 20 62.779 46.613-127.790 1.00 0.52 C ATOM 43 CG PHE A 20 63.627 45.819-126.832 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.978 45.593-127.114 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.060 45.313-125.660 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.764 44.856-126.218 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.843 44.578-124.764 1.00 0.51 C ATOM 48 CZ PHE A 20 65.197 44.348-125.043 1.00 0.56 C ATOM 0 H PHE A 20 62.309 48.213-125.682 1.00 0.51 H new ATOM 0 HA PHE A 20 64.102 48.272-128.102 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.722 46.452-127.577 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.953 46.276-128.812 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.415 45.986-128.020 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.016 45.489-125.446 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.807 44.680-126.434 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.404 44.188-123.857 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.802 43.780-124.352 1.00 0.56 H new ATOM 58 N ARG A 21 61.674 48.594-129.578 1.00 0.57 N ATOM 59 CA ARG A 21 60.630 49.413-130.260 1.00 0.60 C ATOM 60 C ARG A 21 59.423 48.519-130.539 1.00 0.57 C ATOM 61 O ARG A 21 58.466 48.910-131.178 1.00 0.59 O ATOM 62 CB ARG A 21 61.181 49.939-131.584 1.00 0.69 C ATOM 63 CG ARG A 21 62.578 50.527-131.366 1.00 0.74 C ATOM 64 CD ARG A 21 62.455 51.968-130.868 1.00 0.82 C ATOM 65 NE ARG A 21 61.647 52.761-131.838 1.00 1.35 N ATOM 66 CZ ARG A 21 61.171 53.927-131.492 1.00 1.78 C ATOM 67 NH1 ARG A 21 61.405 54.401-130.300 1.00 2.06 N ATOM 68 NH2 ARG A 21 60.460 54.618-132.340 1.00 2.72 N ATOM 0 H ARG A 21 62.033 47.803-130.112 1.00 0.57 H new ATOM 0 HA ARG A 21 60.342 50.254-129.629 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.226 49.133-132.316 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.515 50.701-131.989 1.00 0.69 H new ATOM 0 HG2 ARG A 21 63.127 49.926-130.641 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.144 50.500-132.297 1.00 0.74 H new ATOM 0 HD2 ARG A 21 61.984 51.986-129.885 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.445 52.411-130.755 1.00 0.82 H new ATOM 0 HE ARG A 21 61.466 52.393-132.772 1.00 1.35 H new ATOM 0 HH11 ARG A 21 61.960 53.861-129.636 1.00 2.06 H new ATOM 0 HH12 ARG A 21 61.033 55.312-130.031 1.00 2.06 H new ATOM 0 HH21 ARG A 21 60.276 54.248-133.272 1.00 2.72 H new ATOM 0 HH22 ARG A 21 60.088 55.529-132.071 1.00 2.72 H new ATOM 82 N MET A 22 59.477 47.316-130.049 1.00 0.54 N ATOM 83 CA MET A 22 58.353 46.362-130.257 1.00 0.55 C ATOM 84 C MET A 22 57.575 46.205-128.951 1.00 0.49 C ATOM 85 O MET A 22 58.150 46.080-127.888 1.00 0.63 O ATOM 86 CB MET A 22 58.904 45.005-130.689 1.00 0.61 C ATOM 87 CG MET A 22 59.544 45.132-132.072 1.00 0.71 C ATOM 88 SD MET A 22 58.476 44.348-133.305 1.00 1.14 S ATOM 89 CE MET A 22 57.695 45.860-133.920 1.00 1.25 C ATOM 0 H MET A 22 60.259 46.947-129.508 1.00 0.54 H new ATOM 0 HA MET A 22 57.691 46.745-131.034 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.640 44.653-129.967 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.103 44.266-130.714 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.694 46.183-132.320 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.527 44.661-132.074 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.134 45.637-134.828 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.017 46.254-133.162 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.462 46.602-134.141 1.00 1.25 H new ATOM 99 N GLU A 23 56.274 46.211-129.020 1.00 0.47 N ATOM 100 CA GLU A 23 55.469 46.066-127.778 1.00 0.46 C ATOM 101 C GLU A 23 55.682 44.674-127.189 1.00 0.50 C ATOM 102 O GLU A 23 55.800 44.512-125.992 1.00 0.50 O ATOM 103 CB GLU A 23 53.987 46.268-128.098 1.00 0.50 C ATOM 104 CG GLU A 23 53.739 47.731-128.471 1.00 1.45 C ATOM 105 CD GLU A 23 52.235 47.973-128.618 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.482 47.035-128.415 1.00 2.48 O ATOM 107 OE2 GLU A 23 51.863 49.092-128.931 1.00 2.68 O ATOM 0 H GLU A 23 55.735 46.310-129.880 1.00 0.47 H new ATOM 0 HA GLU A 23 55.786 46.816-127.054 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.690 45.617-128.920 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.378 45.993-127.237 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.150 48.387-127.704 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.250 47.971-129.404 1.00 1.45 H new ATOM 114 N LYS A 24 55.736 43.664-128.010 1.00 0.54 N ATOM 115 CA LYS A 24 55.947 42.293-127.473 1.00 0.59 C ATOM 116 C LYS A 24 57.208 42.284-126.613 1.00 0.53 C ATOM 117 O LYS A 24 57.201 41.815-125.493 1.00 0.55 O ATOM 118 CB LYS A 24 56.100 41.302-128.628 1.00 0.67 C ATOM 119 CG LYS A 24 57.416 41.566-129.359 1.00 0.64 C ATOM 120 CD LYS A 24 57.349 40.966-130.765 1.00 0.77 C ATOM 121 CE LYS A 24 56.514 41.875-131.669 1.00 1.46 C ATOM 122 NZ LYS A 24 55.565 41.045-132.465 1.00 2.09 N ATOM 0 H LYS A 24 55.644 43.728-129.024 1.00 0.54 H new ATOM 0 HA LYS A 24 55.089 42.000-126.868 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.082 40.280-128.249 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.263 41.401-129.319 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.602 42.638-129.418 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.246 41.128-128.805 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.354 40.854-131.172 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.908 39.970-130.726 1.00 0.77 H new ATOM 0 HE2 LYS A 24 55.965 42.599-131.067 1.00 1.46 H new ATOM 0 HE3 LYS A 24 57.165 42.442-132.334 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 54.996 41.661-133.080 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.099 40.371-133.049 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 54.936 40.523-131.822 1.00 2.09 H new ATOM 136 N LEU A 25 58.294 42.792-127.124 1.00 0.47 N ATOM 137 CA LEU A 25 59.555 42.806-126.336 1.00 0.42 C ATOM 138 C LEU A 25 59.391 43.697-125.111 1.00 0.39 C ATOM 139 O LEU A 25 59.589 43.272-124.002 1.00 0.55 O ATOM 140 CB LEU A 25 60.682 43.369-127.202 1.00 0.43 C ATOM 141 CG LEU A 25 61.261 42.269-128.088 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.249 42.734-129.546 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.701 41.987-127.660 1.00 1.03 C ATOM 0 H LEU A 25 58.362 43.199-128.057 1.00 0.47 H new ATOM 0 HA LEU A 25 59.790 41.789-126.021 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.304 44.184-127.820 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.465 43.786-126.568 1.00 0.43 H new ATOM 0 HG LEU A 25 60.663 41.363-127.989 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.662 41.950-130.181 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.225 42.947-129.852 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.852 43.637-129.645 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.120 41.202-128.289 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.296 42.894-127.766 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.715 41.664-126.619 1.00 1.03 H new ATOM 155 N ASN A 26 59.038 44.933-125.306 1.00 0.39 N ATOM 156 CA ASN A 26 58.876 45.834-124.131 1.00 0.37 C ATOM 157 C ASN A 26 57.969 45.135-123.122 1.00 0.40 C ATOM 158 O ASN A 26 58.343 44.874-121.996 1.00 0.40 O ATOM 159 CB ASN A 26 58.241 47.153-124.564 1.00 0.41 C ATOM 160 CG ASN A 26 58.760 47.536-125.951 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.636 46.886-126.484 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.254 48.573-126.560 1.00 0.45 N ATOM 0 H ASN A 26 58.856 45.357-126.216 1.00 0.39 H new ATOM 0 HA ASN A 26 59.848 46.048-123.687 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.155 47.057-124.584 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.479 47.937-123.845 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.594 48.838-127.484 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.518 49.119-126.112 1.00 0.45 H new ATOM 169 N GLN A 27 56.778 44.832-123.536 1.00 0.44 N ATOM 170 CA GLN A 27 55.819 44.147-122.632 1.00 0.50 C ATOM 171 C GLN A 27 56.525 42.976-121.947 1.00 0.47 C ATOM 172 O GLN A 27 56.473 42.826-120.742 1.00 0.48 O ATOM 173 CB GLN A 27 54.632 43.623-123.444 1.00 0.59 C ATOM 174 CG GLN A 27 53.781 44.801-123.923 1.00 0.58 C ATOM 175 CD GLN A 27 52.582 44.275-124.714 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.543 43.119-125.085 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.595 45.082-124.992 1.00 2.02 N ATOM 0 H GLN A 27 56.422 45.031-124.471 1.00 0.44 H new ATOM 0 HA GLN A 27 55.458 44.850-121.881 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.988 43.047-124.298 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.030 42.950-122.834 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.439 45.387-123.070 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.379 45.465-124.547 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.627 46.053-124.681 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.792 44.742-125.520 1.00 2.02 H new ATOM 186 N LEU A 28 57.167 42.130-122.707 1.00 0.47 N ATOM 187 CA LEU A 28 57.854 40.951-122.102 1.00 0.47 C ATOM 188 C LEU A 28 58.961 41.405-121.151 1.00 0.39 C ATOM 189 O LEU A 28 59.090 40.895-120.056 1.00 0.50 O ATOM 190 CB LEU A 28 58.460 40.091-123.213 1.00 0.50 C ATOM 191 CG LEU A 28 57.342 39.387-123.983 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.884 38.879-125.320 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.824 38.206-123.161 1.00 1.21 C ATOM 0 H LEU A 28 57.246 42.204-123.721 1.00 0.47 H new ATOM 0 HA LEU A 28 57.124 40.370-121.539 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.046 40.713-123.890 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.141 39.355-122.786 1.00 0.50 H new ATOM 0 HG LEU A 28 56.528 40.089-124.165 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.087 38.377-125.869 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.254 39.720-125.906 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.698 38.177-125.139 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.027 37.703-123.709 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.638 37.504-122.979 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.437 38.568-122.208 1.00 1.21 H new ATOM 205 N TRP A 29 59.762 42.351-121.548 1.00 0.37 N ATOM 206 CA TRP A 29 60.853 42.831-120.667 1.00 0.30 C ATOM 207 C TRP A 29 60.235 43.339-119.372 1.00 0.36 C ATOM 208 O TRP A 29 60.484 42.818-118.300 1.00 0.39 O ATOM 209 CB TRP A 29 61.547 43.975-121.409 1.00 0.32 C ATOM 210 CG TRP A 29 62.732 44.478-120.662 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.999 45.785-120.475 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.817 43.739-120.027 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.173 45.906-119.766 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.717 44.674-119.461 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.110 42.368-119.883 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.861 44.267-118.778 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.262 41.958-119.195 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.134 42.904-118.645 1.00 0.41 C ATOM 0 H TRP A 29 59.705 42.815-122.455 1.00 0.37 H new ATOM 0 HA TRP A 29 61.568 42.044-120.429 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.858 43.633-122.396 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.840 44.791-121.562 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.390 46.606-120.825 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.590 46.797-119.499 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.444 41.629-120.304 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.532 45.000-118.355 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.477 40.905-119.089 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.019 42.580-118.117 1.00 0.41 H new ATOM 229 N GLU A 30 59.430 44.354-119.465 1.00 0.45 N ATOM 230 CA GLU A 30 58.796 44.891-118.239 1.00 0.56 C ATOM 231 C GLU A 30 58.296 43.701-117.426 1.00 0.50 C ATOM 232 O GLU A 30 58.504 43.613-116.234 1.00 0.52 O ATOM 233 CB GLU A 30 57.617 45.789-118.620 1.00 0.68 C ATOM 234 CG GLU A 30 58.136 47.171-119.024 1.00 0.86 C ATOM 235 CD GLU A 30 56.953 48.110-119.264 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.829 47.679-119.068 1.00 2.06 O ATOM 237 OE2 GLU A 30 57.192 49.246-119.640 1.00 2.33 O ATOM 0 H GLU A 30 59.185 44.832-120.332 1.00 0.45 H new ATOM 0 HA GLU A 30 59.508 45.481-117.662 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.059 45.344-119.443 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.929 45.879-117.780 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.780 47.573-118.241 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.742 47.094-119.927 1.00 0.86 H new ATOM 244 N LYS A 31 57.638 42.779-118.074 1.00 0.46 N ATOM 245 CA LYS A 31 57.120 41.585-117.357 1.00 0.45 C ATOM 246 C LYS A 31 58.260 40.908-116.596 1.00 0.43 C ATOM 247 O LYS A 31 58.172 40.682-115.405 1.00 0.46 O ATOM 248 CB LYS A 31 56.533 40.601-118.375 1.00 0.44 C ATOM 249 CG LYS A 31 55.100 40.234-117.985 1.00 0.91 C ATOM 250 CD LYS A 31 54.315 39.844-119.241 1.00 0.99 C ATOM 251 CE LYS A 31 55.062 38.741-119.995 1.00 1.36 C ATOM 252 NZ LYS A 31 55.095 37.505-119.163 1.00 2.08 N ATOM 0 H LYS A 31 57.437 42.804-119.074 1.00 0.46 H new ATOM 0 HA LYS A 31 56.347 41.891-116.652 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.545 41.045-119.370 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.148 39.702-118.420 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.105 39.407-117.275 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.619 41.077-117.489 1.00 0.91 H new ATOM 0 HD2 LYS A 31 53.318 39.499-118.966 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.185 40.714-119.885 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.570 38.539-120.946 1.00 1.36 H new ATOM 0 HE3 LYS A 31 56.077 39.065-120.224 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 55.432 36.708-119.739 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 55.737 37.646-118.357 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 54.138 37.298-118.811 1.00 2.08 H new ATOM 266 N ALA A 32 59.330 40.575-117.266 1.00 0.41 N ATOM 267 CA ALA A 32 60.450 39.905-116.550 1.00 0.41 C ATOM 268 C ALA A 32 60.874 40.756-115.362 1.00 0.41 C ATOM 269 O ALA A 32 60.861 40.299-114.237 1.00 0.42 O ATOM 270 CB ALA A 32 61.652 39.692-117.469 1.00 0.42 C ATOM 0 H ALA A 32 59.475 40.735-118.263 1.00 0.41 H new ATOM 0 HA ALA A 32 60.099 38.930-116.212 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.451 39.201-116.914 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.359 39.067-118.313 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.004 40.656-117.836 1.00 0.42 H new ATOM 276 N GLN A 33 61.246 41.994-115.566 1.00 0.43 N ATOM 277 CA GLN A 33 61.653 42.819-114.405 1.00 0.47 C ATOM 278 C GLN A 33 60.567 42.744-113.341 1.00 0.49 C ATOM 279 O GLN A 33 60.846 42.537-112.181 1.00 0.53 O ATOM 280 CB GLN A 33 61.857 44.269-114.852 1.00 0.51 C ATOM 281 CG GLN A 33 63.096 44.357-115.751 1.00 0.53 C ATOM 282 CD GLN A 33 63.276 45.798-116.232 1.00 0.75 C ATOM 283 OE1 GLN A 33 64.141 46.506-115.757 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.488 46.265-117.162 1.00 1.23 N ATOM 0 H GLN A 33 61.283 42.458-116.474 1.00 0.43 H new ATOM 0 HA GLN A 33 62.590 42.445-113.992 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.978 44.622-115.391 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.979 44.915-113.983 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.980 44.032-115.202 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.987 43.688-116.605 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.762 45.670-117.561 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.599 47.225-117.490 1.00 1.23 H new ATOM 293 N ARG A 34 59.325 42.877-113.722 1.00 0.49 N ATOM 294 CA ARG A 34 58.240 42.775-112.709 1.00 0.52 C ATOM 295 C ARG A 34 58.466 41.483-111.939 1.00 0.52 C ATOM 296 O ARG A 34 58.281 41.403-110.741 1.00 0.55 O ATOM 297 CB ARG A 34 56.882 42.733-113.403 1.00 0.56 C ATOM 298 CG ARG A 34 56.252 44.126-113.383 1.00 0.67 C ATOM 299 CD ARG A 34 55.722 44.427-111.980 1.00 1.59 C ATOM 300 NE ARG A 34 55.993 45.854-111.644 1.00 1.96 N ATOM 301 CZ ARG A 34 55.378 46.415-110.638 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.525 45.728-109.929 1.00 3.42 N ATOM 303 NH2 ARG A 34 55.615 47.664-110.343 1.00 3.58 N ATOM 0 H ARG A 34 59.019 43.050-114.679 1.00 0.49 H new ATOM 0 HA ARG A 34 58.253 43.635-112.039 1.00 0.52 H new ATOM 0 HB2 ARG A 34 56.998 42.390-114.431 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.228 42.020-112.901 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.990 44.874-113.673 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.441 44.180-114.109 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.651 44.228-111.933 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.200 43.773-111.251 1.00 1.59 H new ATOM 0 HE ARG A 34 56.658 46.392-112.200 1.00 1.96 H new ATOM 0 HH11 ARG A 34 54.338 44.752-110.160 1.00 3.42 H new ATOM 0 HH12 ARG A 34 54.045 46.167-109.143 1.00 3.42 H new ATOM 0 HH21 ARG A 34 56.281 48.202-110.898 1.00 3.58 H new ATOM 0 HH22 ARG A 34 55.135 48.102-109.557 1.00 3.58 H new ATOM 317 N LEU A 35 58.923 40.488-112.636 1.00 0.50 N ATOM 318 CA LEU A 35 59.236 39.199-111.976 1.00 0.54 C ATOM 319 C LEU A 35 60.613 39.357-111.352 1.00 0.55 C ATOM 320 O LEU A 35 61.088 38.518-110.613 1.00 0.61 O ATOM 321 CB LEU A 35 59.263 38.075-113.009 1.00 0.57 C ATOM 322 CG LEU A 35 57.835 37.599-113.283 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.116 38.613-114.174 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.881 36.247-113.991 1.00 0.84 C ATOM 0 H LEU A 35 59.094 40.513-113.641 1.00 0.50 H new ATOM 0 HA LEU A 35 58.485 38.948-111.226 1.00 0.54 H new ATOM 0 HB2 LEU A 35 59.724 38.426-113.932 1.00 0.57 H new ATOM 0 HB3 LEU A 35 59.870 37.246-112.645 1.00 0.57 H new ATOM 0 HG LEU A 35 57.298 37.503-112.339 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.099 38.271-114.367 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.084 39.580-113.672 1.00 1.20 H new ATOM 0 HD13 LEU A 35 57.651 38.712-115.118 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.865 35.905-114.188 1.00 0.84 H new ATOM 0 HD22 LEU A 35 58.419 36.348-114.934 1.00 0.84 H new ATOM 0 HD23 LEU A 35 58.392 35.522-113.358 1.00 0.84 H new ATOM 336 N HIS A 36 61.259 40.445-111.672 1.00 0.53 N ATOM 337 CA HIS A 36 62.620 40.703-111.133 1.00 0.58 C ATOM 338 C HIS A 36 63.435 39.413-111.173 1.00 0.49 C ATOM 339 O HIS A 36 63.313 38.582-110.295 1.00 1.37 O ATOM 340 CB HIS A 36 62.530 41.179-109.681 1.00 0.98 C ATOM 341 CG HIS A 36 62.367 42.673-109.646 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.330 43.486-110.008 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 63.366 43.515-109.183 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 61.669 44.816-109.778 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.909 44.776-109.280 1.00 2.17 N flip ATOM 0 H HIS A 36 60.897 41.171-112.290 1.00 0.53 H new ATOM 0 HA HIS A 36 63.098 41.471-111.741 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.687 40.700-109.183 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.429 40.889-109.137 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.440 43.166-110.390 1.00 1.89 H new ATOM 0 HD2 HIS A 36 64.334 43.213-108.812 1.00 1.60 H new ATOM 0 HE1 HIS A 36 61.062 45.690-109.962 1.00 2.32 H new ATOM 353 N LEU A 37 64.288 39.226-112.148 1.00 0.59 N ATOM 354 CA LEU A 37 65.110 37.988-112.176 1.00 0.43 C ATOM 355 C LEU A 37 66.551 38.386-111.842 1.00 0.44 C ATOM 356 O LEU A 37 66.950 39.504-112.103 1.00 0.42 O ATOM 357 CB LEU A 37 65.089 37.381-113.583 1.00 0.53 C ATOM 358 CG LEU A 37 63.660 37.346-114.120 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.364 38.649-114.863 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.515 36.169-115.087 1.00 0.82 C ATOM 0 H LEU A 37 64.447 39.875-112.919 1.00 0.59 H new ATOM 0 HA LEU A 37 64.719 37.260-111.465 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.722 37.967-114.250 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.501 36.372-113.558 1.00 0.53 H new ATOM 0 HG LEU A 37 62.960 37.231-113.292 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.344 38.625-115.247 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.475 39.491-114.180 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.062 38.761-115.693 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.496 36.139-115.474 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.214 36.290-115.915 1.00 0.82 H new ATOM 0 HD23 LEU A 37 63.731 35.238-114.562 1.00 0.82 H new ATOM 372 N PRO A 38 67.344 37.502-111.297 1.00 0.57 N ATOM 373 CA PRO A 38 68.753 37.853-110.987 1.00 0.66 C ATOM 374 C PRO A 38 69.421 38.502-112.194 1.00 0.58 C ATOM 375 O PRO A 38 69.149 38.133-113.312 1.00 0.52 O ATOM 376 CB PRO A 38 69.378 36.489-110.699 1.00 0.81 C ATOM 377 CG PRO A 38 68.242 35.464-110.535 1.00 0.82 C ATOM 378 CD PRO A 38 66.918 36.121-110.960 1.00 0.69 C ATOM 0 HA PRO A 38 68.856 38.564-110.167 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.041 36.195-111.513 1.00 0.81 H new ATOM 0 HB3 PRO A 38 69.984 36.532-109.794 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.438 34.582-111.144 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.182 35.129-109.499 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.468 35.614-111.814 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.181 36.107-110.157 1.00 0.69 H new ATOM 386 N PRO A 39 70.283 39.453-111.987 1.00 0.62 N ATOM 387 CA PRO A 39 70.962 40.114-113.127 1.00 0.60 C ATOM 388 C PRO A 39 71.558 39.082-114.083 1.00 0.53 C ATOM 389 O PRO A 39 71.312 39.094-115.264 1.00 0.51 O ATOM 390 CB PRO A 39 72.054 40.928-112.429 1.00 0.74 C ATOM 391 CG PRO A 39 71.817 40.873-110.912 1.00 0.81 C ATOM 392 CD PRO A 39 70.645 39.925-110.629 1.00 0.74 C ATOM 0 HA PRO A 39 70.298 40.720-113.743 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.038 40.527-112.672 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.036 41.961-112.777 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.715 40.525-110.402 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.598 41.869-110.528 1.00 0.81 H new ATOM 0 HD2 PRO A 39 70.937 39.102-109.977 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.815 40.438-110.143 1.00 0.74 H new ATOM 400 N VAL A 40 72.372 38.218-113.565 1.00 0.52 N ATOM 401 CA VAL A 40 73.045 37.191-114.408 1.00 0.47 C ATOM 402 C VAL A 40 72.006 36.500-115.287 1.00 0.41 C ATOM 403 O VAL A 40 72.112 36.459-116.506 1.00 0.37 O ATOM 404 CB VAL A 40 73.698 36.157-113.483 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.681 35.084-113.084 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.885 35.505-114.194 1.00 0.50 C ATOM 0 H VAL A 40 72.607 38.175-112.573 1.00 0.52 H new ATOM 0 HA VAL A 40 73.799 37.658-115.041 1.00 0.47 H new ATOM 0 HB VAL A 40 74.048 36.662-112.583 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.158 34.357-112.427 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.846 35.551-112.562 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.314 34.580-113.978 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.346 34.771-113.533 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.539 35.010-115.101 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.617 36.269-114.455 1.00 0.50 H new ATOM 416 N ARG A 41 70.985 35.987-114.681 1.00 0.42 N ATOM 417 CA ARG A 41 69.918 35.319-115.462 1.00 0.40 C ATOM 418 C ARG A 41 69.183 36.386-116.250 1.00 0.34 C ATOM 419 O ARG A 41 68.536 36.115-117.242 1.00 0.30 O ATOM 420 CB ARG A 41 68.943 34.616-114.514 1.00 0.46 C ATOM 421 CG ARG A 41 68.005 33.716-115.321 1.00 0.87 C ATOM 422 CD ARG A 41 66.839 33.268-114.439 1.00 1.00 C ATOM 423 NE ARG A 41 67.101 31.892-113.930 1.00 1.53 N ATOM 424 CZ ARG A 41 66.402 31.422-112.932 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.475 32.156-112.382 1.00 2.54 N ATOM 426 NH2 ARG A 41 66.632 30.218-112.487 1.00 3.12 N ATOM 0 H ARG A 41 70.840 36.000-113.671 1.00 0.42 H new ATOM 0 HA ARG A 41 70.347 34.575-116.133 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.493 34.023-113.783 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.366 35.354-113.956 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.630 34.253-116.192 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.548 32.847-115.692 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.714 33.958-113.605 1.00 1.00 H new ATOM 0 HD3 ARG A 41 65.910 33.286-115.009 1.00 1.00 H new ATOM 0 HE ARG A 41 67.826 31.318-114.361 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.296 33.097-112.731 1.00 2.54 H new ATOM 0 HH12 ARG A 41 64.929 31.789-111.603 1.00 2.54 H new ATOM 0 HH21 ARG A 41 67.357 29.645-112.918 1.00 3.12 H new ATOM 0 HH22 ARG A 41 66.087 29.850-111.708 1.00 3.12 H new ATOM 440 N LEU A 42 69.282 37.611-115.811 1.00 0.35 N ATOM 441 CA LEU A 42 68.590 38.700-116.535 1.00 0.30 C ATOM 442 C LEU A 42 69.417 39.087-117.750 1.00 0.31 C ATOM 443 O LEU A 42 68.893 39.551-118.736 1.00 0.49 O ATOM 444 CB LEU A 42 68.402 39.912-115.632 1.00 0.32 C ATOM 445 CG LEU A 42 67.231 40.729-116.169 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.929 40.216-115.557 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.424 42.202-115.799 1.00 0.60 C ATOM 0 H LEU A 42 69.810 37.898-114.987 1.00 0.35 H new ATOM 0 HA LEU A 42 67.606 38.352-116.848 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.207 39.596-114.607 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.309 40.516-115.612 1.00 0.32 H new ATOM 0 HG LEU A 42 67.186 40.630-117.254 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.092 40.800-115.940 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.791 39.167-115.821 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.973 40.314-114.472 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.587 42.786-116.183 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.469 42.302-114.715 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.353 42.568-116.236 1.00 0.60 H new ATOM 459 N ALA A 43 70.701 38.867-117.712 1.00 0.30 N ATOM 460 CA ALA A 43 71.536 39.181-118.890 1.00 0.30 C ATOM 461 C ALA A 43 71.280 38.062-119.881 1.00 0.29 C ATOM 462 O ALA A 43 71.259 38.243-121.074 1.00 0.28 O ATOM 463 CB ALA A 43 73.008 39.191-118.474 1.00 0.36 C ATOM 0 H ALA A 43 71.204 38.483-116.912 1.00 0.30 H new ATOM 0 HA ALA A 43 71.300 40.155-119.319 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.629 39.422-119.339 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.163 39.946-117.704 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.282 38.212-118.082 1.00 0.36 H new ATOM 469 N GLU A 44 71.066 36.895-119.357 1.00 0.30 N ATOM 470 CA GLU A 44 70.774 35.752-120.255 1.00 0.32 C ATOM 471 C GLU A 44 69.446 36.057-120.961 1.00 0.30 C ATOM 472 O GLU A 44 69.387 36.198-122.167 1.00 0.34 O ATOM 473 CB GLU A 44 70.657 34.461-119.442 1.00 0.37 C ATOM 474 CG GLU A 44 70.918 33.259-120.351 1.00 1.15 C ATOM 475 CD GLU A 44 69.999 32.104-119.949 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.116 31.644-118.826 1.00 2.80 O ATOM 477 OE2 GLU A 44 69.193 31.700-120.771 1.00 2.92 O ATOM 0 H GLU A 44 71.080 36.683-118.359 1.00 0.30 H new ATOM 0 HA GLU A 44 71.574 35.617-120.982 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.373 34.471-118.620 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.664 34.386-118.999 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.742 33.532-121.392 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.961 32.951-120.274 1.00 1.15 H new ATOM 484 N LEU A 45 68.380 36.145-120.213 1.00 0.28 N ATOM 485 CA LEU A 45 67.037 36.427-120.820 1.00 0.29 C ATOM 486 C LEU A 45 67.006 37.819-121.471 1.00 0.24 C ATOM 487 O LEU A 45 66.379 38.017-122.494 1.00 0.25 O ATOM 488 CB LEU A 45 65.969 36.357-119.722 1.00 0.34 C ATOM 489 CG LEU A 45 64.613 36.793-120.284 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.974 35.631-121.045 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.697 37.206-119.129 1.00 0.77 C ATOM 0 H LEU A 45 68.377 36.034-119.199 1.00 0.28 H new ATOM 0 HA LEU A 45 66.840 35.683-121.592 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.901 35.341-119.333 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.250 37.000-118.888 1.00 0.34 H new ATOM 0 HG LEU A 45 64.755 37.635-120.962 1.00 0.41 H new ATOM 0 HD11 LEU A 45 63.009 35.944-121.444 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.626 35.331-121.866 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.831 34.788-120.369 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.730 37.517-119.525 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.558 36.361-118.455 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.150 38.034-118.584 1.00 0.77 H new ATOM 503 N HIS A 46 67.686 38.778-120.904 1.00 0.21 N ATOM 504 CA HIS A 46 67.692 40.139-121.519 1.00 0.20 C ATOM 505 C HIS A 46 68.558 40.109-122.781 1.00 0.19 C ATOM 506 O HIS A 46 68.149 40.533-123.844 1.00 0.21 O ATOM 507 CB HIS A 46 68.268 41.155-120.532 1.00 0.23 C ATOM 508 CG HIS A 46 68.207 42.532-121.136 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.161 43.395-121.355 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.338 43.184-121.602 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.633 44.563-121.947 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.950 44.383-122.074 1.00 0.31 N flip ATOM 0 H HIS A 46 68.234 38.681-120.049 1.00 0.21 H new ATOM 0 HA HIS A 46 66.672 40.429-121.772 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.705 41.130-119.599 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.299 40.898-120.289 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.186 43.208-121.120 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.347 42.800-121.589 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.058 45.429-122.240 1.00 0.35 H new ATOM 520 N ALA A 47 69.753 39.605-122.661 1.00 0.19 N ATOM 521 CA ALA A 47 70.672 39.530-123.830 1.00 0.22 C ATOM 522 C ALA A 47 69.978 38.804-124.977 1.00 0.21 C ATOM 523 O ALA A 47 69.811 39.336-126.056 1.00 0.22 O ATOM 524 CB ALA A 47 71.930 38.753-123.430 1.00 0.27 C ATOM 0 H ALA A 47 70.137 39.237-121.791 1.00 0.19 H new ATOM 0 HA ALA A 47 70.943 40.537-124.147 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.608 38.694-124.282 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.427 39.265-122.606 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.652 37.746-123.118 1.00 0.27 H new ATOM 530 N ASP A 48 69.567 37.593-124.746 1.00 0.22 N ATOM 531 CA ASP A 48 68.876 36.827-125.820 1.00 0.25 C ATOM 532 C ASP A 48 67.659 37.624-126.282 1.00 0.22 C ATOM 533 O ASP A 48 67.448 37.831-127.459 1.00 0.25 O ATOM 534 CB ASP A 48 68.428 35.468-125.277 1.00 0.28 C ATOM 535 CG ASP A 48 69.655 34.592-125.019 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.755 35.060-125.262 1.00 0.94 O ATOM 537 OD2 ASP A 48 69.474 33.467-124.582 1.00 0.84 O ATOM 0 H ASP A 48 69.678 37.098-123.861 1.00 0.22 H new ATOM 0 HA ASP A 48 69.554 36.666-126.658 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.863 35.601-124.355 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.763 34.981-125.990 1.00 0.28 H new ATOM 542 N LEU A 49 66.864 38.082-125.356 1.00 0.19 N ATOM 543 CA LEU A 49 65.671 38.876-125.747 1.00 0.19 C ATOM 544 C LEU A 49 66.112 39.953-126.740 1.00 0.18 C ATOM 545 O LEU A 49 65.460 40.199-127.735 1.00 0.19 O ATOM 546 CB LEU A 49 65.046 39.523-124.510 1.00 0.18 C ATOM 547 CG LEU A 49 64.010 38.570-123.909 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.350 39.229-122.698 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.941 38.248-124.957 1.00 0.89 C ATOM 0 H LEU A 49 66.989 37.941-124.353 1.00 0.19 H new ATOM 0 HA LEU A 49 64.925 38.229-126.209 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.818 39.750-123.775 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.575 40.468-124.779 1.00 0.18 H new ATOM 0 HG LEU A 49 64.504 37.650-123.598 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.612 38.549-122.271 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.109 39.458-121.950 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.857 40.150-123.009 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.204 37.569-124.528 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.448 39.169-125.269 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.409 37.776-125.821 1.00 0.89 H new ATOM 561 N LYS A 50 67.232 40.583-126.492 1.00 0.20 N ATOM 562 CA LYS A 50 67.716 41.622-127.443 1.00 0.21 C ATOM 563 C LYS A 50 68.067 40.938-128.763 1.00 0.23 C ATOM 564 O LYS A 50 67.553 41.272-129.806 1.00 0.24 O ATOM 565 CB LYS A 50 68.960 42.307-126.872 1.00 0.24 C ATOM 566 CG LYS A 50 68.636 42.896-125.497 1.00 0.36 C ATOM 567 CD LYS A 50 69.203 44.315-125.398 1.00 0.84 C ATOM 568 CE LYS A 50 70.717 44.246-125.189 1.00 1.09 C ATOM 569 NZ LYS A 50 71.235 42.960-125.735 1.00 1.84 N ATOM 0 H LYS A 50 67.826 40.423-125.679 1.00 0.20 H new ATOM 0 HA LYS A 50 66.943 42.374-127.602 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.776 41.590-126.788 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.296 43.095-127.546 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.557 42.913-125.343 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.060 42.269-124.713 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.976 44.873-126.306 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.735 44.848-124.571 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.202 45.086-125.686 1.00 1.09 H new ATOM 0 HE3 LYS A 50 70.952 44.324-124.128 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.249 42.874-125.518 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.720 42.167-125.303 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.099 42.940-126.766 1.00 1.84 H new ATOM 583 N ILE A 51 68.941 39.977-128.723 1.00 0.25 N ATOM 584 CA ILE A 51 69.304 39.289-129.992 1.00 0.27 C ATOM 585 C ILE A 51 67.998 39.048-130.749 1.00 0.26 C ATOM 586 O ILE A 51 67.782 39.562-131.844 1.00 0.25 O ATOM 587 CB ILE A 51 69.982 37.952-129.687 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.482 38.177-129.495 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.756 36.987-130.851 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.708 39.122-128.314 1.00 0.30 C ATOM 0 H ILE A 51 69.414 39.641-127.884 1.00 0.25 H new ATOM 0 HA ILE A 51 69.996 39.891-130.581 1.00 0.27 H new ATOM 0 HB ILE A 51 69.557 37.527-128.777 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.983 37.226-129.315 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.916 38.600-130.401 1.00 0.36 H new ATOM 0 HG21 ILE A 51 70.239 36.035-130.633 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.687 36.828-130.989 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.181 37.409-131.762 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.777 39.283-128.176 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.220 40.076-128.513 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.288 38.681-127.410 1.00 0.30 H new ATOM 602 N GLN A 52 67.093 38.315-130.161 1.00 0.26 N ATOM 603 CA GLN A 52 65.796 38.099-130.831 1.00 0.27 C ATOM 604 C GLN A 52 65.219 39.470-131.166 1.00 0.24 C ATOM 605 O GLN A 52 64.468 39.621-132.103 1.00 0.26 O ATOM 606 CB GLN A 52 64.845 37.351-129.894 1.00 0.32 C ATOM 607 CG GLN A 52 63.787 36.616-130.719 1.00 0.45 C ATOM 608 CD GLN A 52 64.430 35.415-131.416 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.255 35.251-132.698 1.00 1.00 O flip ATOM 610 NE2 GLN A 52 65.097 34.619-130.787 1.00 0.48 N flip ATOM 0 H GLN A 52 67.201 37.863-129.253 1.00 0.26 H new ATOM 0 HA GLN A 52 65.925 37.504-131.735 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.403 36.641-129.284 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.366 38.052-129.210 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.973 36.284-130.074 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.353 37.290-131.458 1.00 0.45 H new ATOM 0 HE21 GLN A 52 65.234 34.748-129.784 1.00 0.48 H new ATOM 0 HE22 GLN A 52 65.521 33.822-131.261 1.00 0.48 H new ATOM 619 N GLU A 53 65.573 40.479-130.404 1.00 0.23 N ATOM 620 CA GLU A 53 65.046 41.838-130.700 1.00 0.23 C ATOM 621 C GLU A 53 65.638 42.333-132.013 1.00 0.20 C ATOM 622 O GLU A 53 64.925 42.747-132.897 1.00 0.21 O ATOM 623 CB GLU A 53 65.420 42.828-129.601 1.00 0.25 C ATOM 624 CG GLU A 53 64.837 44.195-129.964 1.00 0.28 C ATOM 625 CD GLU A 53 65.973 45.190-130.213 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.075 44.744-130.488 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.721 46.380-130.127 1.00 1.09 O ATOM 0 H GLU A 53 66.197 40.416-129.600 1.00 0.23 H new ATOM 0 HA GLU A 53 63.960 41.772-130.763 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.030 42.493-128.640 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.504 42.892-129.501 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.213 44.110-130.854 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.196 44.554-129.158 1.00 0.28 H new ATOM 634 N ARG A 54 66.934 42.283-132.172 1.00 0.22 N ATOM 635 CA ARG A 54 67.526 42.742-133.451 1.00 0.22 C ATOM 636 C ARG A 54 66.811 42.025-134.578 1.00 0.20 C ATOM 637 O ARG A 54 66.619 42.550-135.661 1.00 0.21 O ATOM 638 CB ARG A 54 69.003 42.367-133.482 1.00 0.24 C ATOM 639 CG ARG A 54 69.793 43.346-132.618 1.00 0.27 C ATOM 640 CD ARG A 54 71.229 43.448-133.137 1.00 0.85 C ATOM 641 NE ARG A 54 72.185 43.340-131.995 1.00 1.55 N ATOM 642 CZ ARG A 54 71.938 43.941-130.861 1.00 2.09 C ATOM 643 NH1 ARG A 54 70.881 44.698-130.733 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.761 43.800-129.857 1.00 3.03 N ATOM 0 H ARG A 54 67.599 41.947-131.475 1.00 0.22 H new ATOM 0 HA ARG A 54 67.423 43.822-133.555 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.139 41.350-133.115 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.374 42.389-134.507 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.319 44.327-132.637 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.794 43.012-131.580 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.421 42.656-133.861 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.372 44.396-133.655 1.00 0.85 H new ATOM 0 HE ARG A 54 73.039 42.792-132.101 1.00 1.55 H new ATOM 0 HH11 ARG A 54 70.244 44.822-131.520 1.00 2.40 H new ATOM 0 HH12 ARG A 54 70.692 45.165-129.846 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.595 43.222-129.959 1.00 3.03 H new ATOM 0 HH22 ARG A 54 72.570 44.268-128.971 1.00 3.03 H new ATOM 658 N ASP A 55 66.380 40.832-134.307 1.00 0.20 N ATOM 659 CA ASP A 55 65.635 40.063-135.339 1.00 0.21 C ATOM 660 C ASP A 55 64.174 40.530-135.354 1.00 0.21 C ATOM 661 O ASP A 55 63.535 40.593-136.394 1.00 0.20 O ATOM 662 CB ASP A 55 65.691 38.571-135.006 1.00 0.25 C ATOM 663 CG ASP A 55 67.147 38.102-135.004 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.978 38.813-135.546 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.407 37.040-134.463 1.00 0.94 O ATOM 0 H ASP A 55 66.510 40.353-133.416 1.00 0.20 H new ATOM 0 HA ASP A 55 66.085 40.230-136.318 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.238 38.388-134.032 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.116 38.003-135.737 1.00 0.25 H new ATOM 670 N GLU A 56 63.645 40.896-134.217 1.00 0.27 N ATOM 671 CA GLU A 56 62.240 41.376-134.171 1.00 0.32 C ATOM 672 C GLU A 56 62.161 42.718-134.879 1.00 0.30 C ATOM 673 O GLU A 56 61.338 42.922-135.745 1.00 0.31 O ATOM 674 CB GLU A 56 61.795 41.534-132.716 1.00 0.39 C ATOM 675 CG GLU A 56 61.864 40.177-132.013 1.00 0.44 C ATOM 676 CD GLU A 56 60.450 39.713-131.655 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.611 39.703-132.541 1.00 1.39 O ATOM 678 OE2 GLU A 56 60.231 39.378-130.504 1.00 1.72 O ATOM 0 H GLU A 56 64.128 40.882-133.319 1.00 0.27 H new ATOM 0 HA GLU A 56 61.586 40.656-134.664 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.434 42.254-132.205 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.779 41.926-132.676 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.345 39.444-132.661 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.472 40.253-131.112 1.00 0.44 H new ATOM 685 N LEU A 57 63.029 43.627-134.543 1.00 0.30 N ATOM 686 CA LEU A 57 63.013 44.938-135.230 1.00 0.32 C ATOM 687 C LEU A 57 63.299 44.691-136.709 1.00 0.28 C ATOM 688 O LEU A 57 62.576 45.137-137.575 1.00 0.29 O ATOM 689 CB LEU A 57 64.091 45.854-134.646 1.00 0.36 C ATOM 690 CG LEU A 57 63.806 46.112-133.167 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.930 46.960-132.573 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.480 46.861-133.025 1.00 1.22 C ATOM 0 H LEU A 57 63.745 43.517-133.825 1.00 0.30 H new ATOM 0 HA LEU A 57 62.044 45.420-135.098 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.073 45.395-134.762 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.114 46.798-135.191 1.00 0.36 H new ATOM 0 HG LEU A 57 63.746 45.160-132.639 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.728 47.145-131.518 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.877 46.430-132.674 1.00 1.08 H new ATOM 0 HD13 LEU A 57 64.988 47.911-133.103 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.277 47.045-131.970 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.541 47.812-133.554 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.676 46.261-133.450 1.00 1.22 H new ATOM 704 N ALA A 58 64.337 43.954-137.012 1.00 0.25 N ATOM 705 CA ALA A 58 64.628 43.667-138.440 1.00 0.24 C ATOM 706 C ALA A 58 63.347 43.137-139.077 1.00 0.21 C ATOM 707 O ALA A 58 63.105 43.301-140.259 1.00 0.21 O ATOM 708 CB ALA A 58 65.732 42.613-138.542 1.00 0.24 C ATOM 0 H ALA A 58 64.985 43.545-136.339 1.00 0.25 H new ATOM 0 HA ALA A 58 64.964 44.569-138.951 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.942 42.406-139.591 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.635 42.984-138.058 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.407 41.697-138.049 1.00 0.24 H new ATOM 714 N TRP A 59 62.508 42.521-138.288 1.00 0.19 N ATOM 715 CA TRP A 59 61.235 42.006-138.853 1.00 0.18 C ATOM 716 C TRP A 59 60.203 43.139-138.945 1.00 0.20 C ATOM 717 O TRP A 59 59.610 43.359-139.981 1.00 0.30 O ATOM 718 CB TRP A 59 60.662 40.878-138.005 1.00 0.19 C ATOM 719 CG TRP A 59 59.448 40.371-138.709 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.453 39.448-139.696 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.062 40.766-138.523 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.161 39.254-140.137 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.262 40.042-139.437 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.428 41.672-137.655 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.878 40.214-139.489 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.038 41.847-137.703 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.264 41.120-138.618 1.00 0.39 C ATOM 0 H TRP A 59 62.648 42.355-137.291 1.00 0.19 H new ATOM 0 HA TRP A 59 61.452 41.616-139.847 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.395 40.081-137.879 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.407 41.237-137.008 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.328 38.943-140.078 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.900 38.611-140.885 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.016 42.237-136.947 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.286 39.652-140.196 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.561 42.546-137.032 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.194 41.259-138.650 1.00 0.39 H new ATOM 738 N LYS A 60 59.980 43.865-137.876 1.00 0.27 N ATOM 739 CA LYS A 60 58.980 44.968-137.958 1.00 0.30 C ATOM 740 C LYS A 60 59.244 45.699-139.272 1.00 0.29 C ATOM 741 O LYS A 60 58.343 46.095-139.987 1.00 0.31 O ATOM 742 CB LYS A 60 59.139 45.935-136.780 1.00 0.38 C ATOM 743 CG LYS A 60 60.214 46.975-137.105 1.00 0.42 C ATOM 744 CD LYS A 60 60.505 47.813-135.860 1.00 1.08 C ATOM 745 CE LYS A 60 61.744 48.675-136.102 1.00 1.53 C ATOM 746 NZ LYS A 60 61.960 49.575-134.933 1.00 2.27 N ATOM 0 H LYS A 60 60.436 43.744-136.972 1.00 0.27 H new ATOM 0 HA LYS A 60 57.965 44.572-137.918 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.190 46.431-136.574 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.413 45.384-135.880 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.124 46.480-137.444 1.00 0.42 H new ATOM 0 HG3 LYS A 60 59.879 47.618-137.919 1.00 0.42 H new ATOM 0 HD2 LYS A 60 59.649 48.446-135.627 1.00 1.08 H new ATOM 0 HD3 LYS A 60 60.664 47.162-135.000 1.00 1.08 H new ATOM 0 HE2 LYS A 60 62.618 48.041-136.252 1.00 1.53 H new ATOM 0 HE3 LYS A 60 61.618 49.265-137.010 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 61.973 50.564-135.254 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 61.190 49.444-134.247 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 62.868 49.346-134.482 1.00 2.27 H new ATOM 760 N LYS A 61 60.495 45.842-139.603 1.00 0.28 N ATOM 761 CA LYS A 61 60.849 46.506-140.882 1.00 0.30 C ATOM 762 C LYS A 61 60.475 45.560-142.022 1.00 0.27 C ATOM 763 O LYS A 61 59.828 45.944-142.963 1.00 0.35 O ATOM 764 CB LYS A 61 62.346 46.804-140.926 1.00 0.35 C ATOM 765 CG LYS A 61 62.778 47.445-139.606 1.00 0.40 C ATOM 766 CD LYS A 61 63.794 48.555-139.885 1.00 0.77 C ATOM 767 CE LYS A 61 64.674 48.765-138.651 1.00 1.42 C ATOM 768 NZ LYS A 61 65.335 47.479-138.287 1.00 2.43 N ATOM 0 H LYS A 61 61.287 45.527-139.042 1.00 0.28 H new ATOM 0 HA LYS A 61 60.311 47.449-140.976 1.00 0.30 H new ATOM 0 HB2 LYS A 61 62.906 45.884-141.096 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.570 47.472-141.757 1.00 0.35 H new ATOM 0 HG2 LYS A 61 61.911 47.853-139.087 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.217 46.693-138.951 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.411 48.290-140.744 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.277 49.481-140.137 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.426 49.528-138.853 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.070 49.125-137.818 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.317 47.663-137.997 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 64.819 47.034-137.501 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.331 46.842-139.109 1.00 2.43 H new ATOM 782 N LEU A 62 60.869 44.317-141.944 1.00 0.24 N ATOM 783 CA LEU A 62 60.513 43.372-143.037 1.00 0.24 C ATOM 784 C LEU A 62 59.047 43.573-143.388 1.00 0.24 C ATOM 785 O LEU A 62 58.698 43.933-144.495 1.00 0.26 O ATOM 786 CB LEU A 62 60.698 41.931-142.567 1.00 0.24 C ATOM 787 CG LEU A 62 62.137 41.480-142.812 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.497 40.383-141.814 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.260 40.929-144.234 1.00 0.41 C ATOM 0 H LEU A 62 61.415 43.920-141.180 1.00 0.24 H new ATOM 0 HA LEU A 62 61.154 43.559-143.899 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.460 41.853-141.506 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.008 41.276-143.098 1.00 0.24 H new ATOM 0 HG LEU A 62 62.813 42.326-142.688 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.523 40.058-141.985 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.403 40.769-140.799 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.822 39.537-141.944 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.286 40.606-144.412 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.587 40.080-144.355 1.00 0.41 H new ATOM 0 HD23 LEU A 62 61.995 41.707-144.950 1.00 0.41 H new ATOM 801 N LYS A 63 58.189 43.317-142.449 1.00 0.24 N ATOM 802 CA LYS A 63 56.731 43.463-142.711 1.00 0.26 C ATOM 803 C LYS A 63 56.424 44.881-143.201 1.00 0.29 C ATOM 804 O LYS A 63 55.581 45.080-144.053 1.00 0.30 O ATOM 805 CB LYS A 63 55.941 43.191-141.425 1.00 0.34 C ATOM 806 CG LYS A 63 55.876 44.466-140.582 1.00 0.46 C ATOM 807 CD LYS A 63 55.071 44.204-139.309 1.00 0.41 C ATOM 808 CE LYS A 63 54.097 45.361-139.074 1.00 0.58 C ATOM 809 NZ LYS A 63 53.230 45.532-140.274 1.00 1.20 N ATOM 0 H LYS A 63 58.432 43.012-141.507 1.00 0.24 H new ATOM 0 HA LYS A 63 56.440 42.745-143.478 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.934 42.853-141.670 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.416 42.391-140.857 1.00 0.34 H new ATOM 0 HG2 LYS A 63 56.883 44.795-140.325 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.415 45.270-141.156 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.523 43.266-139.399 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.742 44.101-138.456 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.484 45.162-138.195 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.648 46.280-138.877 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.265 45.775-139.973 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.609 46.295-140.870 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.211 44.645-140.817 1.00 1.20 H new ATOM 823 N LEU A 64 57.083 45.876-142.663 1.00 0.33 N ATOM 824 CA LEU A 64 56.813 47.282-143.086 1.00 0.43 C ATOM 825 C LEU A 64 57.267 47.530-144.529 1.00 0.52 C ATOM 826 O LEU A 64 56.512 48.006-145.354 1.00 0.75 O ATOM 827 CB LEU A 64 57.584 48.210-142.144 1.00 0.38 C ATOM 828 CG LEU A 64 56.725 48.528-140.919 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.593 49.173-139.839 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.608 49.495-141.319 1.00 1.23 C ATOM 0 H LEU A 64 57.800 45.773-141.945 1.00 0.33 H new ATOM 0 HA LEU A 64 55.741 47.472-143.039 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.516 47.737-141.834 1.00 0.38 H new ATOM 0 HB3 LEU A 64 57.851 49.131-142.663 1.00 0.38 H new ATOM 0 HG LEU A 64 56.290 47.607-140.532 1.00 0.50 H new ATOM 0 HD11 LEU A 64 56.980 49.399-138.967 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.390 48.486-139.554 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.029 50.094-140.225 1.00 1.10 H new ATOM 0 HD21 LEU A 64 54.995 49.723-140.447 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.045 50.416-141.706 1.00 1.23 H new ATOM 0 HD23 LEU A 64 54.988 49.036-142.089 1.00 1.23 H new ATOM 842 N ASP A 65 58.491 47.225-144.832 1.00 0.45 N ATOM 843 CA ASP A 65 59.008 47.450-146.209 1.00 0.60 C ATOM 844 C ASP A 65 58.384 46.441-147.170 1.00 0.96 C ATOM 845 O ASP A 65 58.570 46.519-148.368 1.00 0.98 O ATOM 846 CB ASP A 65 60.529 47.285-146.216 1.00 0.53 C ATOM 847 CG ASP A 65 61.179 48.509-145.568 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.448 49.387-145.140 1.00 1.14 O ATOM 849 OD2 ASP A 65 62.398 48.547-145.510 1.00 1.31 O ATOM 0 H ASP A 65 59.165 46.825-144.180 1.00 0.45 H new ATOM 0 HA ASP A 65 58.747 48.459-146.529 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.810 46.382-145.674 1.00 0.53 H new ATOM 0 HB3 ASP A 65 60.888 47.168-147.239 1.00 0.53 H new ATOM 854 N GLY A 66 57.643 45.492-146.667 1.00 1.30 N ATOM 855 CA GLY A 66 57.014 44.491-147.569 1.00 1.72 C ATOM 856 C GLY A 66 58.057 43.463-148.009 1.00 0.91 C ATOM 857 O GLY A 66 58.324 43.305-149.184 1.00 1.14 O ATOM 0 H GLY A 66 57.447 45.368-145.674 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.192 43.992-147.056 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.590 44.989-148.441 1.00 1.72 H new ATOM 861 N LEU A 67 58.642 42.748-147.084 1.00 0.37 N ATOM 862 CA LEU A 67 59.649 41.728-147.476 1.00 1.03 C ATOM 863 C LEU A 67 59.085 40.339-147.185 1.00 0.91 C ATOM 864 O LEU A 67 59.255 39.417-147.959 1.00 1.09 O ATOM 865 CB LEU A 67 60.947 41.950-146.702 1.00 1.69 C ATOM 866 CG LEU A 67 61.817 42.954-147.461 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.839 43.577-146.511 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.552 42.234-148.595 1.00 2.68 C ATOM 0 H LEU A 67 58.466 42.828-146.083 1.00 0.37 H new ATOM 0 HA LEU A 67 59.867 41.814-148.540 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.729 42.323-145.701 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.479 41.006-146.582 1.00 1.69 H new ATOM 0 HG LEU A 67 61.183 43.739-147.873 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.456 44.291-147.057 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.319 44.091-145.703 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.473 42.794-146.094 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.172 42.948-149.137 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.182 41.448-148.179 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.825 41.793-149.277 1.00 2.68 H new ATOM 880 N ASP A 68 58.348 40.192-146.116 1.00 0.69 N ATOM 881 CA ASP A 68 57.697 38.885-145.819 1.00 0.59 C ATOM 882 C ASP A 68 56.196 39.094-146.016 1.00 0.59 C ATOM 883 O ASP A 68 55.588 39.831-145.264 1.00 0.59 O ATOM 884 CB ASP A 68 57.966 38.470-144.364 1.00 0.53 C ATOM 885 CG ASP A 68 57.356 37.088-144.123 1.00 0.64 C ATOM 886 OD1 ASP A 68 56.783 36.545-145.053 1.00 0.97 O ATOM 887 OD2 ASP A 68 57.469 36.596-143.016 1.00 1.19 O ATOM 0 H ASP A 68 58.169 40.927-145.432 1.00 0.69 H new ATOM 0 HA ASP A 68 58.087 38.102-146.470 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.038 38.448-144.170 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.533 39.198-143.678 1.00 0.53 H new ATOM 892 N GLU A 69 55.561 38.494-146.988 1.00 0.63 N ATOM 893 CA GLU A 69 54.100 38.737-147.143 1.00 0.69 C ATOM 894 C GLU A 69 53.303 37.731-146.312 1.00 0.71 C ATOM 895 O GLU A 69 52.090 37.779-146.273 1.00 0.77 O ATOM 896 CB GLU A 69 53.717 38.592-148.617 1.00 0.73 C ATOM 897 CG GLU A 69 54.351 37.320-149.186 1.00 0.75 C ATOM 898 CD GLU A 69 53.867 37.107-150.620 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.691 36.827-150.793 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.678 37.225-151.523 1.00 1.82 O ATOM 0 H GLU A 69 55.981 37.860-147.667 1.00 0.63 H new ATOM 0 HA GLU A 69 53.870 39.744-146.796 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.633 38.548-148.719 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.055 39.463-149.179 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.438 37.402-149.166 1.00 0.75 H new ATOM 0 HG3 GLU A 69 54.085 36.461-148.570 1.00 0.75 H new ATOM 907 N ASP A 70 53.959 36.820-145.645 1.00 0.72 N ATOM 908 CA ASP A 70 53.213 35.825-144.825 1.00 0.78 C ATOM 909 C ASP A 70 53.684 35.932-143.377 1.00 0.69 C ATOM 910 O ASP A 70 53.199 35.248-142.497 1.00 0.84 O ATOM 911 CB ASP A 70 53.489 34.415-145.352 1.00 0.83 C ATOM 912 CG ASP A 70 53.066 34.327-146.820 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.625 35.334-147.350 1.00 1.34 O ATOM 914 OD2 ASP A 70 53.190 33.256-147.389 1.00 1.43 O ATOM 0 H ASP A 70 54.974 36.722-145.633 1.00 0.72 H new ATOM 0 HA ASP A 70 52.143 36.023-144.883 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.549 34.179-145.253 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.942 33.681-144.760 1.00 0.83 H new ATOM 919 N GLY A 71 54.617 36.807-143.123 1.00 0.50 N ATOM 920 CA GLY A 71 55.120 36.995-141.737 1.00 0.43 C ATOM 921 C GLY A 71 55.778 35.716-141.206 1.00 0.34 C ATOM 922 O GLY A 71 55.694 35.424-140.031 1.00 0.31 O ATOM 0 H GLY A 71 55.055 37.404-143.824 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.840 37.813-141.717 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.295 37.281-141.084 1.00 0.43 H new ATOM 926 N GLU A 72 56.450 34.955-142.032 1.00 0.36 N ATOM 927 CA GLU A 72 57.105 33.730-141.492 1.00 0.34 C ATOM 928 C GLU A 72 58.329 34.170-140.688 1.00 0.30 C ATOM 929 O GLU A 72 58.491 33.811-139.540 1.00 0.30 O ATOM 930 CB GLU A 72 57.542 32.825-142.646 1.00 0.40 C ATOM 931 CG GLU A 72 57.794 31.410-142.119 1.00 1.23 C ATOM 932 CD GLU A 72 56.477 30.633-142.092 1.00 1.97 C ATOM 933 OE1 GLU A 72 55.565 31.027-142.803 1.00 2.64 O ATOM 934 OE2 GLU A 72 56.402 29.658-141.364 1.00 2.68 O ATOM 0 H GLU A 72 56.571 35.123-143.031 1.00 0.36 H new ATOM 0 HA GLU A 72 56.412 33.175-140.859 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.773 32.805-143.418 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.447 33.219-143.108 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.518 30.898-142.753 1.00 1.23 H new ATOM 0 HG3 GLU A 72 58.223 31.454-141.118 1.00 1.23 H new ATOM 941 N LYS A 73 59.185 34.960-141.276 1.00 0.31 N ATOM 942 CA LYS A 73 60.375 35.420-140.509 1.00 0.33 C ATOM 943 C LYS A 73 59.858 35.881-139.149 1.00 0.29 C ATOM 944 O LYS A 73 60.542 35.829-138.140 1.00 0.29 O ATOM 945 CB LYS A 73 61.096 36.562-141.233 1.00 0.38 C ATOM 946 CG LYS A 73 60.230 37.078-142.379 1.00 0.55 C ATOM 947 CD LYS A 73 60.406 36.166-143.597 1.00 1.07 C ATOM 948 CE LYS A 73 61.757 36.448-144.255 1.00 1.38 C ATOM 949 NZ LYS A 73 61.681 36.114-145.706 1.00 2.36 N ATOM 0 H LYS A 73 59.115 35.301-142.235 1.00 0.31 H new ATOM 0 HA LYS A 73 61.103 34.615-140.404 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.309 37.371-140.534 1.00 0.38 H new ATOM 0 HB3 LYS A 73 62.054 36.213-141.618 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.183 37.102-142.077 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.512 38.100-142.632 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.349 35.121-143.293 1.00 1.07 H new ATOM 0 HD3 LYS A 73 59.600 36.335-144.311 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.025 37.497-144.126 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.538 35.858-143.775 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 62.599 36.305-146.155 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 61.444 35.108-145.819 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 60.947 36.696-146.158 1.00 2.36 H new ATOM 963 N GLU A 74 58.605 36.239-139.115 1.00 0.28 N ATOM 964 CA GLU A 74 57.967 36.619-137.832 1.00 0.28 C ATOM 965 C GLU A 74 57.642 35.306-137.139 1.00 0.26 C ATOM 966 O GLU A 74 57.862 35.119-135.977 1.00 0.27 O ATOM 967 CB GLU A 74 56.668 37.375-138.106 1.00 0.31 C ATOM 968 CG GLU A 74 56.350 38.277-136.917 1.00 0.37 C ATOM 969 CD GLU A 74 54.845 38.249-136.639 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.107 37.839-137.520 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.457 38.637-135.550 1.00 1.14 O ATOM 0 H GLU A 74 57.994 36.284-139.930 1.00 0.28 H new ATOM 0 HA GLU A 74 58.614 37.258-137.231 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.765 37.971-139.014 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.852 36.671-138.272 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.899 37.942-136.037 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.673 39.297-137.125 1.00 0.37 H new ATOM 978 N ALA A 75 57.146 34.392-137.909 1.00 0.25 N ATOM 979 CA ALA A 75 56.830 33.051-137.357 1.00 0.27 C ATOM 980 C ALA A 75 58.088 32.579-136.653 1.00 0.26 C ATOM 981 O ALA A 75 58.119 32.432-135.452 1.00 0.27 O ATOM 982 CB ALA A 75 56.448 32.081-138.478 1.00 0.30 C ATOM 0 H ALA A 75 56.944 34.513-138.901 1.00 0.25 H new ATOM 0 HA ALA A 75 55.983 33.095-136.673 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.220 31.104-138.052 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.572 32.460-139.005 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.279 31.987-139.177 1.00 0.30 H new ATOM 988 N ARG A 76 59.131 32.350-137.387 1.00 0.28 N ATOM 989 CA ARG A 76 60.386 31.898-136.738 1.00 0.31 C ATOM 990 C ARG A 76 60.631 32.768-135.508 1.00 0.28 C ATOM 991 O ARG A 76 60.903 32.275-134.432 1.00 0.30 O ATOM 992 CB ARG A 76 61.555 32.036-137.715 1.00 0.35 C ATOM 993 CG ARG A 76 61.363 31.068-138.883 1.00 0.66 C ATOM 994 CD ARG A 76 62.008 29.723-138.544 1.00 1.00 C ATOM 995 NE ARG A 76 62.057 29.554-137.064 1.00 1.51 N ATOM 996 CZ ARG A 76 62.285 28.378-136.549 1.00 2.03 C ATOM 997 NH1 ARG A 76 62.470 27.348-137.329 1.00 2.34 N ATOM 998 NH2 ARG A 76 62.328 28.231-135.253 1.00 3.14 N ATOM 0 H ARG A 76 59.172 32.454-138.401 1.00 0.28 H new ATOM 0 HA ARG A 76 60.301 30.852-136.445 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.615 33.060-138.084 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.495 31.825-137.205 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.301 30.933-139.086 1.00 0.66 H new ATOM 0 HG3 ARG A 76 61.810 31.480-139.788 1.00 0.66 H new ATOM 0 HD2 ARG A 76 61.438 28.910-138.995 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.015 29.675-138.960 1.00 1.00 H new ATOM 0 HE ARG A 76 61.912 30.358-136.454 1.00 1.51 H new ATOM 0 HH11 ARG A 76 62.436 27.463-138.342 1.00 2.34 H new ATOM 0 HH12 ARG A 76 62.648 26.428-136.926 1.00 2.34 H new ATOM 0 HH21 ARG A 76 62.183 29.036-134.643 1.00 3.14 H new ATOM 0 HH22 ARG A 76 62.506 27.311-134.850 1.00 3.14 H new ATOM 1012 N LEU A 77 60.535 34.059-135.655 1.00 0.30 N ATOM 1013 CA LEU A 77 60.763 34.953-134.482 1.00 0.31 C ATOM 1014 C LEU A 77 59.828 34.548-133.339 1.00 0.29 C ATOM 1015 O LEU A 77 60.265 34.201-132.264 1.00 0.30 O ATOM 1016 CB LEU A 77 60.489 36.402-134.879 1.00 0.35 C ATOM 1017 CG LEU A 77 61.703 36.956-135.624 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.305 38.225-136.374 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.812 37.283-134.620 1.00 0.38 C ATOM 0 H LEU A 77 60.310 34.533-136.530 1.00 0.30 H new ATOM 0 HA LEU A 77 61.798 34.859-134.153 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.603 36.457-135.511 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.286 37.003-133.992 1.00 0.35 H new ATOM 0 HG LEU A 77 62.064 36.212-136.335 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.171 38.620-136.905 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.515 37.993-137.089 1.00 0.51 H new ATOM 0 HD13 LEU A 77 60.944 38.969-135.664 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.678 37.678-135.151 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.452 38.027-133.909 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.097 36.377-134.085 1.00 0.38 H new ATOM 1031 N ILE A 78 58.548 34.584-133.572 1.00 0.29 N ATOM 1032 CA ILE A 78 57.570 34.198-132.518 1.00 0.32 C ATOM 1033 C ILE A 78 57.957 32.839-131.955 1.00 0.30 C ATOM 1034 O ILE A 78 57.981 32.632-130.768 1.00 0.32 O ATOM 1035 CB ILE A 78 56.178 34.110-133.126 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.742 35.508-133.545 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.197 33.556-132.091 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.994 35.428-134.870 1.00 0.37 C ATOM 0 H ILE A 78 58.132 34.868-134.459 1.00 0.29 H new ATOM 0 HA ILE A 78 57.574 34.944-131.723 1.00 0.32 H new ATOM 0 HB ILE A 78 56.192 33.447-133.991 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.102 35.946-132.779 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.611 36.158-133.644 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.201 33.494-132.530 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.519 32.562-131.780 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.171 34.216-131.224 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.681 36.427-135.172 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.649 35.007-135.633 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.116 34.792-134.754 1.00 0.37 H new ATOM 1050 N ARG A 79 58.284 31.921-132.809 1.00 0.29 N ATOM 1051 CA ARG A 79 58.704 30.576-132.312 1.00 0.32 C ATOM 1052 C ARG A 79 60.000 30.746-131.509 1.00 0.26 C ATOM 1053 O ARG A 79 60.293 29.979-130.613 1.00 0.26 O ATOM 1054 CB ARG A 79 58.943 29.634-133.494 1.00 0.38 C ATOM 1055 CG ARG A 79 59.813 28.459-133.043 1.00 0.39 C ATOM 1056 CD ARG A 79 59.353 27.182-133.750 1.00 0.39 C ATOM 1057 NE ARG A 79 60.012 26.003-133.122 1.00 1.50 N ATOM 1058 CZ ARG A 79 59.557 24.802-133.353 1.00 2.14 C ATOM 1059 NH1 ARG A 79 58.523 24.635-134.133 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.133 23.768-132.803 1.00 3.27 N ATOM 0 H ARG A 79 58.282 32.034-133.823 1.00 0.29 H new ATOM 0 HA ARG A 79 57.924 30.148-131.682 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.991 29.268-133.880 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.431 30.171-134.307 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.860 28.658-133.274 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.743 28.335-131.962 1.00 0.39 H new ATOM 0 HD2 ARG A 79 58.269 27.086-133.682 1.00 0.39 H new ATOM 0 HD3 ARG A 79 59.603 27.230-134.810 1.00 0.39 H new ATOM 0 HE ARG A 79 60.819 26.134-132.512 1.00 1.50 H new ATOM 0 HH11 ARG A 79 58.071 25.443-134.561 1.00 2.28 H new ATOM 0 HH12 ARG A 79 58.167 23.696-134.314 1.00 2.28 H new ATOM 0 HH21 ARG A 79 60.939 23.898-132.192 1.00 3.27 H new ATOM 0 HH22 ARG A 79 59.777 22.830-132.984 1.00 3.27 H new ATOM 1074 N ASN A 80 60.766 31.764-131.811 1.00 0.23 N ATOM 1075 CA ASN A 80 62.029 32.006-131.053 1.00 0.21 C ATOM 1076 C ASN A 80 61.677 32.759-129.772 1.00 0.21 C ATOM 1077 O ASN A 80 62.386 32.710-128.785 1.00 0.22 O ATOM 1078 CB ASN A 80 62.989 32.844-131.899 1.00 0.23 C ATOM 1079 CG ASN A 80 63.088 32.245-133.304 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.271 33.036-134.325 1.00 1.06 O flip ATOM 1081 ND2 ASN A 80 62.997 31.045-133.473 1.00 1.15 N flip ATOM 0 H ASN A 80 60.570 32.438-132.551 1.00 0.23 H new ATOM 0 HA ASN A 80 62.513 31.059-130.814 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.636 33.874-131.955 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.974 32.869-131.433 1.00 0.23 H new ATOM 0 HD21 ASN A 80 62.854 30.427-132.674 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.064 30.656-134.414 1.00 1.15 H new ATOM 1088 N LEU A 81 60.537 33.392-129.764 1.00 0.23 N ATOM 1089 CA LEU A 81 60.077 34.084-128.536 1.00 0.28 C ATOM 1090 C LEU A 81 59.492 32.990-127.667 1.00 0.30 C ATOM 1091 O LEU A 81 59.891 32.774-126.547 1.00 0.31 O ATOM 1092 CB LEU A 81 59.001 35.117-128.880 1.00 0.35 C ATOM 1093 CG LEU A 81 59.667 36.439-129.266 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.348 36.290-130.627 1.00 1.28 C ATOM 1095 CD2 LEU A 81 58.606 37.539-129.345 1.00 1.26 C ATOM 0 H LEU A 81 59.904 33.458-130.561 1.00 0.23 H new ATOM 0 HA LEU A 81 60.886 34.618-128.038 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.384 34.755-129.702 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.339 35.266-128.027 1.00 0.35 H new ATOM 0 HG LEU A 81 60.411 36.704-128.515 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.822 37.232-130.902 1.00 1.28 H new ATOM 0 HD12 LEU A 81 61.103 35.506-130.572 1.00 1.28 H new ATOM 0 HD13 LEU A 81 59.604 36.025-131.379 1.00 1.28 H new ATOM 0 HD21 LEU A 81 59.079 38.482-129.620 1.00 1.26 H new ATOM 0 HD22 LEU A 81 57.862 37.274-130.096 1.00 1.26 H new ATOM 0 HD23 LEU A 81 58.120 37.646-128.375 1.00 1.26 H new ATOM 1107 N ASN A 82 58.578 32.264-128.229 1.00 0.35 N ATOM 1108 CA ASN A 82 57.964 31.123-127.526 1.00 0.42 C ATOM 1109 C ASN A 82 59.074 30.278-126.912 1.00 0.37 C ATOM 1110 O ASN A 82 59.127 30.080-125.716 1.00 0.38 O ATOM 1111 CB ASN A 82 57.176 30.312-128.564 1.00 0.51 C ATOM 1112 CG ASN A 82 55.754 30.865-128.675 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.455 31.671-129.658 1.00 1.27 O flip ATOM 1114 ND2 ASN A 82 54.906 30.561-127.860 1.00 0.98 N flip ATOM 0 H ASN A 82 58.223 32.421-129.172 1.00 0.35 H new ATOM 0 HA ASN A 82 57.295 31.450-126.731 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.673 30.362-129.533 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.147 29.262-128.274 1.00 0.51 H new ATOM 0 HD21 ASN A 82 55.139 29.931-127.092 1.00 0.98 H new ATOM 0 HD22 ASN A 82 53.961 30.935-127.944 1.00 0.98 H new ATOM 1121 N VAL A 83 59.972 29.793-127.718 1.00 0.35 N ATOM 1122 CA VAL A 83 61.091 28.981-127.175 1.00 0.36 C ATOM 1123 C VAL A 83 61.785 29.780-126.071 1.00 0.32 C ATOM 1124 O VAL A 83 61.943 29.319-124.964 1.00 0.35 O ATOM 1125 CB VAL A 83 62.091 28.674-128.291 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.210 27.784-127.748 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.374 27.950-129.433 1.00 0.44 C ATOM 0 H VAL A 83 59.980 29.924-128.730 1.00 0.35 H new ATOM 0 HA VAL A 83 60.709 28.043-126.772 1.00 0.36 H new ATOM 0 HB VAL A 83 62.517 29.607-128.661 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.921 27.567-128.545 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.722 28.299-126.935 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.785 26.851-127.376 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.086 27.731-130.229 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.947 27.019-129.062 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.578 28.584-129.823 1.00 0.44 H new ATOM 1137 N ILE A 84 62.199 30.982-126.370 1.00 0.27 N ATOM 1138 CA ILE A 84 62.876 31.799-125.327 1.00 0.30 C ATOM 1139 C ILE A 84 62.050 31.749-124.038 1.00 0.31 C ATOM 1140 O ILE A 84 62.560 31.472-122.968 1.00 0.37 O ATOM 1141 CB ILE A 84 63.008 33.239-125.801 1.00 0.34 C ATOM 1142 CG1 ILE A 84 64.190 33.333-126.762 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.256 34.153-124.600 1.00 0.44 C ATOM 1144 CD1 ILE A 84 64.010 34.546-127.661 1.00 0.37 C ATOM 0 H ILE A 84 62.099 31.428-127.282 1.00 0.27 H new ATOM 0 HA ILE A 84 63.872 31.399-125.139 1.00 0.30 H new ATOM 0 HB ILE A 84 62.092 33.548-126.304 1.00 0.34 H new ATOM 0 HG12 ILE A 84 65.122 33.415-126.203 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.258 32.427-127.364 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.350 35.184-124.941 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.420 34.076-123.905 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.175 33.852-124.097 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.852 34.617-128.349 1.00 0.37 H new ATOM 0 HD12 ILE A 84 63.085 34.444-128.229 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.963 35.448-127.050 1.00 0.37 H new ATOM 1156 N LEU A 85 60.777 32.028-124.131 1.00 0.35 N ATOM 1157 CA LEU A 85 59.913 32.012-122.916 1.00 0.42 C ATOM 1158 C LEU A 85 59.851 30.602-122.333 1.00 0.42 C ATOM 1159 O LEU A 85 59.818 30.421-121.135 1.00 0.47 O ATOM 1160 CB LEU A 85 58.505 32.477-123.287 1.00 0.54 C ATOM 1161 CG LEU A 85 58.435 33.998-123.188 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.478 34.407-121.716 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.631 34.612-123.916 1.00 0.61 C ATOM 0 H LEU A 85 60.298 32.267-124.999 1.00 0.35 H new ATOM 0 HA LEU A 85 60.335 32.684-122.169 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.258 32.155-124.299 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.772 32.023-122.620 1.00 0.54 H new ATOM 0 HG LEU A 85 57.510 34.352-123.644 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.428 35.493-121.639 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.630 33.967-121.191 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.406 34.053-121.267 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.581 35.699-123.845 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.555 34.261-123.458 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.610 34.315-124.965 1.00 0.61 H new ATOM 1175 N ALA A 86 59.842 29.601-123.165 1.00 0.47 N ATOM 1176 CA ALA A 86 59.795 28.208-122.644 1.00 0.58 C ATOM 1177 C ALA A 86 61.177 27.847-122.099 1.00 0.59 C ATOM 1178 O ALA A 86 61.346 26.900-121.358 1.00 0.73 O ATOM 1179 CB ALA A 86 59.426 27.252-123.780 1.00 0.64 C ATOM 0 H ALA A 86 59.865 29.686-124.181 1.00 0.47 H new ATOM 0 HA ALA A 86 59.049 28.127-121.853 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.391 26.231-123.400 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.449 27.523-124.181 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.174 27.320-124.570 1.00 0.64 H new ATOM 1185 N LYS A 87 62.168 28.604-122.482 1.00 0.50 N ATOM 1186 CA LYS A 87 63.559 28.339-122.026 1.00 0.60 C ATOM 1187 C LYS A 87 63.759 28.932-120.640 1.00 0.58 C ATOM 1188 O LYS A 87 64.348 28.325-119.768 1.00 0.71 O ATOM 1189 CB LYS A 87 64.520 29.016-122.992 1.00 0.61 C ATOM 1190 CG LYS A 87 65.874 28.304-122.961 1.00 0.82 C ATOM 1191 CD LYS A 87 66.754 28.833-124.095 1.00 0.99 C ATOM 1192 CE LYS A 87 67.567 27.682-124.690 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.349 28.178-125.858 1.00 2.02 N ATOM 0 H LYS A 87 62.069 29.408-123.102 1.00 0.50 H new ATOM 0 HA LYS A 87 63.741 27.265-121.994 1.00 0.60 H new ATOM 0 HB2 LYS A 87 64.110 28.994-124.002 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.644 30.064-122.721 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.362 28.469-122.000 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.734 27.228-123.067 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.135 29.292-124.866 1.00 0.99 H new ATOM 0 HD3 LYS A 87 67.422 29.608-123.720 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.239 27.270-123.937 1.00 1.63 H new ATOM 0 HE3 LYS A 87 66.903 26.875-125.000 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.902 27.396-126.263 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.698 28.551-126.578 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.993 28.934-125.549 1.00 2.02 H new ATOM 1207 N TYR A 88 63.252 30.109-120.426 1.00 0.45 N ATOM 1208 CA TYR A 88 63.393 30.728-119.086 1.00 0.47 C ATOM 1209 C TYR A 88 62.216 30.271-118.245 1.00 0.54 C ATOM 1210 O TYR A 88 62.281 30.189-117.035 1.00 0.58 O ATOM 1211 CB TYR A 88 63.401 32.251-119.215 1.00 0.44 C ATOM 1212 CG TYR A 88 64.768 32.682-119.682 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.807 32.828-118.756 1.00 0.58 C ATOM 1214 CD2 TYR A 88 65.001 32.922-121.041 1.00 0.53 C ATOM 1215 CE1 TYR A 88 67.079 33.214-119.188 1.00 0.64 C ATOM 1216 CE2 TYR A 88 66.276 33.307-121.474 1.00 0.62 C ATOM 1217 CZ TYR A 88 67.314 33.453-120.547 1.00 0.61 C ATOM 1218 OH TYR A 88 68.571 33.829-120.974 1.00 0.73 O ATOM 0 H TYR A 88 62.749 30.666-121.117 1.00 0.45 H new ATOM 0 HA TYR A 88 64.330 30.427-118.617 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.639 32.576-119.923 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.164 32.714-118.257 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.626 32.642-117.708 1.00 0.58 H new ATOM 0 HD2 TYR A 88 64.198 32.810-121.755 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.881 33.328-118.473 1.00 0.64 H new ATOM 0 HE2 TYR A 88 66.458 33.491-122.523 1.00 0.62 H new ATOM 0 HH TYR A 88 68.905 33.175-121.623 1.00 0.73 H new ATOM 1228 N GLY A 89 61.133 29.983-118.896 1.00 0.59 N ATOM 1229 CA GLY A 89 59.921 29.538-118.165 1.00 0.69 C ATOM 1230 C GLY A 89 59.162 30.772-117.687 1.00 0.77 C ATOM 1231 O GLY A 89 58.668 30.823-116.578 1.00 1.09 O ATOM 0 H GLY A 89 61.033 30.036-119.910 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.288 28.932-118.814 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.199 28.912-117.317 1.00 0.69 H new ATOM 1235 N LEU A 90 59.054 31.762-118.528 1.00 0.65 N ATOM 1236 CA LEU A 90 58.313 32.997-118.149 1.00 0.75 C ATOM 1237 C LEU A 90 57.019 33.039-118.962 1.00 0.80 C ATOM 1238 O LEU A 90 56.315 34.028-118.990 1.00 1.31 O ATOM 1239 CB LEU A 90 59.172 34.223-118.489 1.00 0.82 C ATOM 1240 CG LEU A 90 59.168 35.224-117.332 1.00 1.03 C ATOM 1241 CD1 LEU A 90 57.789 35.877-117.222 1.00 1.50 C ATOM 1242 CD2 LEU A 90 59.505 34.502-116.025 1.00 1.68 C ATOM 0 H LEU A 90 59.450 31.769-119.468 1.00 0.65 H new ATOM 0 HA LEU A 90 58.090 33.000-117.082 1.00 0.75 H new ATOM 0 HB2 LEU A 90 60.194 33.909-118.702 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.791 34.701-119.391 1.00 0.82 H new ATOM 0 HG LEU A 90 59.916 35.995-117.519 1.00 1.03 H new ATOM 0 HD11 LEU A 90 57.789 36.590-116.397 1.00 1.50 H new ATOM 0 HD12 LEU A 90 57.558 36.398-118.151 1.00 1.50 H new ATOM 0 HD13 LEU A 90 57.037 35.110-117.039 1.00 1.50 H new ATOM 0 HD21 LEU A 90 59.501 35.217-115.203 1.00 1.68 H new ATOM 0 HD22 LEU A 90 58.762 33.727-115.835 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.492 34.046-116.105 1.00 1.68 H new ATOM 1254 N ASP A 91 56.715 31.962-119.635 1.00 0.77 N ATOM 1255 CA ASP A 91 55.482 31.912-120.468 1.00 0.87 C ATOM 1256 C ASP A 91 54.252 32.132-119.585 1.00 1.30 C ATOM 1257 O ASP A 91 53.132 31.924-120.007 1.00 1.70 O ATOM 1258 CB ASP A 91 55.382 30.539-121.136 1.00 1.04 C ATOM 1259 CG ASP A 91 56.734 30.158-121.738 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.661 29.942-120.975 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.820 30.089-122.953 1.00 0.84 O ATOM 0 H ASP A 91 57.274 31.109-119.642 1.00 0.77 H new ATOM 0 HA ASP A 91 55.527 32.693-121.227 1.00 0.87 H new ATOM 0 HB2 ASP A 91 55.075 29.790-120.406 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.619 30.557-121.914 1.00 1.04 H new ATOM 1266 N GLY A 92 54.445 32.542-118.360 1.00 1.77 N ATOM 1267 CA GLY A 92 53.276 32.761-117.461 1.00 2.22 C ATOM 1268 C GLY A 92 52.389 31.515-117.482 1.00 2.72 C ATOM 1269 O GLY A 92 52.708 30.528-118.114 1.00 3.30 O ATOM 0 H GLY A 92 55.357 32.734-117.945 1.00 1.77 H new ATOM 0 HA2 GLY A 92 53.615 32.964-116.445 1.00 2.22 H new ATOM 0 HA3 GLY A 92 52.708 33.632-117.788 1.00 2.22 H new ATOM 1273 N LYS A 93 51.278 31.546-116.797 1.00 3.13 N ATOM 1274 CA LYS A 93 50.379 30.359-116.784 1.00 3.96 C ATOM 1275 C LYS A 93 49.102 30.707-116.015 1.00 4.22 C ATOM 1276 O LYS A 93 48.328 31.540-116.439 1.00 4.63 O ATOM 1277 CB LYS A 93 51.087 29.189-116.096 1.00 4.60 C ATOM 1278 CG LYS A 93 51.714 29.670-114.785 1.00 4.79 C ATOM 1279 CD LYS A 93 53.239 29.625-114.901 1.00 5.91 C ATOM 1280 CE LYS A 93 53.864 30.322-113.691 1.00 6.60 C ATOM 1281 NZ LYS A 93 53.066 30.010-112.471 1.00 6.86 N ATOM 0 H LYS A 93 50.955 32.342-116.247 1.00 3.13 H new ATOM 0 HA LYS A 93 50.127 30.077-117.806 1.00 3.96 H new ATOM 0 HB2 LYS A 93 50.377 28.386-115.899 1.00 4.60 H new ATOM 0 HB3 LYS A 93 51.857 28.780-116.751 1.00 4.60 H new ATOM 0 HG2 LYS A 93 51.385 30.685-114.564 1.00 4.79 H new ATOM 0 HG3 LYS A 93 51.383 29.041-113.959 1.00 4.79 H new ATOM 0 HD2 LYS A 93 53.580 28.591-114.955 1.00 5.91 H new ATOM 0 HD3 LYS A 93 53.559 30.114-115.821 1.00 5.91 H new ATOM 0 HE2 LYS A 93 54.894 29.991-113.559 1.00 6.60 H new ATOM 0 HE3 LYS A 93 53.894 31.399-113.854 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 53.645 30.181-111.624 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 52.223 30.618-112.443 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 52.773 29.013-112.494 1.00 6.86 H new ATOM 1295 N LYS A 94 48.880 30.065-114.898 1.00 4.52 N ATOM 1296 CA LYS A 94 47.655 30.335-114.084 1.00 5.25 C ATOM 1297 C LYS A 94 46.561 29.337-114.466 1.00 5.64 C ATOM 1298 O LYS A 94 46.817 28.335-115.103 1.00 6.30 O ATOM 1299 CB LYS A 94 47.150 31.766-114.315 1.00 6.00 C ATOM 1300 CG LYS A 94 48.282 32.768-114.058 1.00 6.18 C ATOM 1301 CD LYS A 94 49.167 32.267-112.915 1.00 7.02 C ATOM 1302 CE LYS A 94 50.169 33.356-112.529 1.00 7.55 C ATOM 1303 NZ LYS A 94 50.527 33.214-111.089 1.00 7.75 N ATOM 0 H LYS A 94 49.502 29.356-114.510 1.00 4.52 H new ATOM 0 HA LYS A 94 47.906 30.224-113.029 1.00 5.25 H new ATOM 0 HB2 LYS A 94 46.785 31.871-115.337 1.00 6.00 H new ATOM 0 HB3 LYS A 94 46.310 31.976-113.653 1.00 6.00 H new ATOM 0 HG2 LYS A 94 48.878 32.898-114.962 1.00 6.18 H new ATOM 0 HG3 LYS A 94 47.866 33.744-113.808 1.00 6.18 H new ATOM 0 HD2 LYS A 94 48.552 32.002-112.055 1.00 7.02 H new ATOM 0 HD3 LYS A 94 49.695 31.364-113.219 1.00 7.02 H new ATOM 0 HE2 LYS A 94 51.064 33.277-113.147 1.00 7.55 H new ATOM 0 HE3 LYS A 94 49.740 34.341-112.713 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 51.208 33.954-110.826 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 49.670 33.310-110.507 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 50.952 32.279-110.928 1.00 7.75 H new ATOM 1317 N ASP A 95 45.345 29.595-114.070 1.00 5.55 N ATOM 1318 CA ASP A 95 44.240 28.651-114.399 1.00 6.18 C ATOM 1319 C ASP A 95 43.359 29.237-115.505 1.00 6.72 C ATOM 1320 O ASP A 95 42.257 28.782-115.733 1.00 7.02 O ATOM 1321 CB ASP A 95 43.392 28.407-113.151 1.00 6.12 C ATOM 1322 CG ASP A 95 42.107 27.674-113.542 1.00 6.05 C ATOM 1323 OD1 ASP A 95 41.134 28.345-113.845 1.00 6.23 O ATOM 1324 OD2 ASP A 95 42.118 26.454-113.532 1.00 6.22 O ATOM 0 H ASP A 95 45.069 30.417-113.534 1.00 5.55 H new ATOM 0 HA ASP A 95 44.667 27.710-114.745 1.00 6.18 H new ATOM 0 HB2 ASP A 95 43.954 27.817-112.426 1.00 6.12 H new ATOM 0 HB3 ASP A 95 43.151 29.356-112.671 1.00 6.12 H new ATOM 1329 N ALA A 96 43.829 30.240-116.196 1.00 7.12 N ATOM 1330 CA ALA A 96 43.004 30.838-117.283 1.00 7.86 C ATOM 1331 C ALA A 96 42.765 29.791-118.373 1.00 8.30 C ATOM 1332 O ALA A 96 43.005 30.028-119.540 1.00 8.93 O ATOM 1333 CB ALA A 96 43.741 32.039-117.882 1.00 8.22 C ATOM 0 H ALA A 96 44.744 30.669-116.056 1.00 7.12 H new ATOM 0 HA ALA A 96 42.047 31.166-116.876 1.00 7.86 H new ATOM 0 HB1 ALA A 96 43.138 32.477-118.677 1.00 8.22 H new ATOM 0 HB2 ALA A 96 43.914 32.784-117.106 1.00 8.22 H new ATOM 0 HB3 ALA A 96 44.697 31.712-118.290 1.00 8.22 H new ATOM 1339 N ARG A 97 42.293 28.633-118.001 1.00 8.23 N ATOM 1340 CA ARG A 97 42.038 27.571-119.014 1.00 8.95 C ATOM 1341 C ARG A 97 40.533 27.309-119.112 1.00 9.53 C ATOM 1342 O ARG A 97 39.883 27.714-120.055 1.00 9.76 O ATOM 1343 CB ARG A 97 42.753 26.285-118.595 1.00 8.85 C ATOM 1344 CG ARG A 97 44.267 26.500-118.651 1.00 8.58 C ATOM 1345 CD ARG A 97 44.950 25.607-117.614 1.00 8.65 C ATOM 1346 NE ARG A 97 44.506 26.002-116.249 1.00 9.34 N ATOM 1347 CZ ARG A 97 44.718 25.206-115.237 1.00 9.46 C ATOM 1348 NH1 ARG A 97 45.317 24.061-115.423 1.00 9.01 N ATOM 1349 NH2 ARG A 97 44.330 25.552-114.041 1.00 10.30 N ATOM 0 H ARG A 97 42.073 28.376-117.039 1.00 8.23 H new ATOM 0 HA ARG A 97 42.414 27.897-119.984 1.00 8.95 H new ATOM 0 HB2 ARG A 97 42.453 26.002-117.586 1.00 8.85 H new ATOM 0 HB3 ARG A 97 42.467 25.466-119.255 1.00 8.85 H new ATOM 0 HG2 ARG A 97 44.641 26.268-119.648 1.00 8.58 H new ATOM 0 HG3 ARG A 97 44.503 27.546-118.457 1.00 8.58 H new ATOM 0 HD2 ARG A 97 44.703 24.562-117.800 1.00 8.65 H new ATOM 0 HD3 ARG A 97 46.033 25.699-117.696 1.00 8.65 H new ATOM 0 HE ARG A 97 44.036 26.896-116.105 1.00 9.34 H new ATOM 0 HH11 ARG A 97 45.619 23.789-116.359 1.00 9.01 H new ATOM 0 HH12 ARG A 97 45.483 23.438-114.633 1.00 9.01 H new ATOM 0 HH21 ARG A 97 43.860 26.446-113.896 1.00 10.30 H new ATOM 0 HH22 ARG A 97 44.496 24.929-113.251 1.00 10.30 H new ATOM 1363 N GLN A 98 39.974 26.634-118.144 1.00 9.97 N ATOM 1364 CA GLN A 98 38.513 26.348-118.184 1.00 10.76 C ATOM 1365 C GLN A 98 37.746 27.533-117.592 1.00 10.99 C ATOM 1366 CB GLN A 98 38.217 25.090-117.366 1.00 11.07 C ATOM 1367 CG GLN A 98 39.203 23.986-117.753 1.00 11.38 C ATOM 1368 CD GLN A 98 40.597 24.344-117.235 1.00 11.58 C ATOM 1369 OE1 GLN A 98 40.733 25.026-116.239 1.00 11.67 O ATOM 1370 NE2 GLN A 98 41.649 23.909-117.875 1.00 11.85 N ATOM 0 H GLN A 98 40.466 26.269-117.329 1.00 9.97 H new ATOM 0 HA GLN A 98 38.201 26.192-119.217 1.00 10.76 H new ATOM 0 HB2 GLN A 98 38.299 25.308-116.301 1.00 11.07 H new ATOM 0 HB3 GLN A 98 37.194 24.758-117.546 1.00 11.07 H new ATOM 0 HG2 GLN A 98 38.881 23.033-117.334 1.00 11.38 H new ATOM 0 HG3 GLN A 98 39.225 23.867-118.836 1.00 11.38 H new ATOM 0 HE21 GLN A 98 41.536 23.336-118.711 1.00 11.85 H new ATOM 0 HE22 GLN A 98 42.583 24.142-117.538 1.00 11.85 H new TER 1379 GLN A 98