USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=12 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 : amide:sc= -6.86! C(o=-13!,f=-22!) USER MOD Set 1.2: A 80 ASN : amide:sc= -6.29! C(o=-13!,f=-19!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= -0.297 (180deg=-0.946) USER MOD Single : A 26 ASN : amide:sc= -4.34! C(o=-4.3!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= -0.18 (180deg=-0.471) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.529 F(o=-3,f=-0.53) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.255 F(o=-1.2,f=-0.26) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -2.11 F(o=-6.6!,f=-2.1) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= -0.66 (180deg=-2.76!) USER MOD Single : A 60 LYS NZ :NH3+ -110:sc= -0.402 (180deg=-3.36!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -5.3! (180deg=-7.15!) USER MOD Single : A 73 LYS NZ :NH3+ -156:sc= -3.39! (180deg=-5.31!) USER MOD Single : A 82 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.61) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.18) USER MOD Single : A 88 TYR OH : rot 160:sc= -2.87! USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= -2.24! (180deg=-2.3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 63.478 55.702-119.752 1.00 3.57 N ATOM 2 CA GLY A 17 64.307 54.578-120.372 1.00 2.94 C ATOM 3 C GLY A 17 63.623 53.350-120.867 1.00 2.17 C ATOM 4 O GLY A 17 62.910 52.688-120.139 1.00 2.41 O ATOM 0 HA2 GLY A 17 64.860 55.004-121.209 1.00 2.94 H new ATOM 0 HA3 GLY A 17 65.042 54.266-119.630 1.00 2.94 H new ATOM 8 N GLU A 18 63.817 53.013-122.113 1.00 1.64 N ATOM 9 CA GLU A 18 63.159 51.795-122.667 1.00 0.99 C ATOM 10 C GLU A 18 64.228 50.779-123.073 1.00 0.98 C ATOM 11 O GLU A 18 65.410 51.054-123.024 1.00 1.60 O ATOM 12 CB GLU A 18 62.326 52.178-123.892 1.00 1.22 C ATOM 13 CG GLU A 18 61.199 53.121-123.468 1.00 1.64 C ATOM 14 CD GLU A 18 61.711 54.563-123.469 1.00 2.48 C ATOM 15 OE1 GLU A 18 62.855 54.763-123.842 1.00 3.09 O ATOM 16 OE2 GLU A 18 60.951 55.441-123.097 1.00 3.13 O ATOM 0 H GLU A 18 64.402 53.528-122.771 1.00 1.64 H new ATOM 0 HA GLU A 18 62.510 51.356-121.910 1.00 0.99 H new ATOM 0 HB2 GLU A 18 62.957 52.661-124.638 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.911 51.284-124.357 1.00 1.22 H new ATOM 0 HG2 GLU A 18 60.354 53.024-124.149 1.00 1.64 H new ATOM 0 HG3 GLU A 18 60.840 52.852-122.474 1.00 1.64 H new ATOM 23 N GLU A 19 63.823 49.604-123.473 1.00 0.57 N ATOM 24 CA GLU A 19 64.815 48.570-123.881 1.00 0.55 C ATOM 25 C GLU A 19 64.688 48.313-125.384 1.00 0.56 C ATOM 26 O GLU A 19 65.642 48.426-126.129 1.00 0.63 O ATOM 27 CB GLU A 19 64.552 47.273-123.104 1.00 0.45 C ATOM 28 CG GLU A 19 63.086 46.856-123.260 1.00 0.38 C ATOM 29 CD GLU A 19 62.176 47.941-122.682 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.613 48.635-121.779 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.057 48.059-123.153 1.00 2.06 O ATOM 0 H GLU A 19 62.847 49.316-123.535 1.00 0.57 H new ATOM 0 HA GLU A 19 65.823 48.920-123.660 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.205 46.481-123.471 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.787 47.417-122.050 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.854 46.696-124.313 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.911 45.910-122.748 1.00 0.38 H new ATOM 38 N PHE A 20 63.513 47.982-125.830 1.00 0.51 N ATOM 39 CA PHE A 20 63.295 47.727-127.281 1.00 0.54 C ATOM 40 C PHE A 20 62.261 48.726-127.772 1.00 0.55 C ATOM 41 O PHE A 20 61.928 49.662-127.072 1.00 0.57 O ATOM 42 CB PHE A 20 62.767 46.307-127.472 1.00 0.52 C ATOM 43 CG PHE A 20 63.610 45.359-126.661 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.934 45.107-127.031 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.068 44.742-125.534 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.716 44.232-126.268 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.847 43.869-124.768 1.00 0.51 C ATOM 48 CZ PHE A 20 65.173 43.613-125.135 1.00 0.56 C ATOM 0 H PHE A 20 62.683 47.875-125.246 1.00 0.51 H new ATOM 0 HA PHE A 20 64.226 47.834-127.838 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.725 46.247-127.158 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.799 46.032-128.526 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.353 45.586-127.904 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.044 44.939-125.252 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.739 44.034-126.553 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.426 43.393-123.895 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.777 42.939-124.545 1.00 0.56 H new ATOM 58 N ARG A 21 61.730 48.561-128.949 1.00 0.57 N ATOM 59 CA ARG A 21 60.713 49.528-129.430 1.00 0.60 C ATOM 60 C ARG A 21 59.492 48.735-129.877 1.00 0.57 C ATOM 61 O ARG A 21 58.582 49.254-130.493 1.00 0.59 O ATOM 62 CB ARG A 21 61.275 50.287-130.623 1.00 0.69 C ATOM 63 CG ARG A 21 62.538 51.043-130.204 1.00 0.74 C ATOM 64 CD ARG A 21 63.766 50.169-130.459 1.00 0.82 C ATOM 65 NE ARG A 21 65.001 50.966-130.215 1.00 1.35 N ATOM 66 CZ ARG A 21 66.151 50.362-130.077 1.00 1.78 C ATOM 67 NH1 ARG A 21 66.217 49.062-130.150 1.00 2.06 N ATOM 68 NH2 ARG A 21 67.232 51.060-129.864 1.00 2.72 N ATOM 0 H ARG A 21 61.955 47.803-129.594 1.00 0.57 H new ATOM 0 HA ARG A 21 60.448 50.233-128.642 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.506 49.594-131.432 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.531 50.986-131.005 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.619 51.975-130.764 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.481 51.310-129.149 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.748 49.297-129.805 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.756 49.799-131.484 1.00 0.82 H new ATOM 0 HE ARG A 21 64.949 51.983-130.156 1.00 1.35 H new ATOM 0 HH11 ARG A 21 65.371 48.517-130.315 1.00 2.06 H new ATOM 0 HH12 ARG A 21 67.115 48.590-130.042 1.00 2.06 H new ATOM 0 HH21 ARG A 21 67.179 52.077-129.805 1.00 2.72 H new ATOM 0 HH22 ARG A 21 68.130 50.589-129.756 1.00 2.72 H new ATOM 82 N MET A 22 59.467 47.475-129.550 1.00 0.54 N ATOM 83 CA MET A 22 58.311 46.617-129.921 1.00 0.55 C ATOM 84 C MET A 22 57.480 46.366-128.663 1.00 0.49 C ATOM 85 O MET A 22 58.009 46.105-127.598 1.00 0.63 O ATOM 86 CB MET A 22 58.816 45.285-130.481 1.00 0.61 C ATOM 87 CG MET A 22 59.364 45.499-131.893 1.00 0.71 C ATOM 88 SD MET A 22 58.000 45.892-133.016 1.00 1.14 S ATOM 89 CE MET A 22 57.750 44.219-133.661 1.00 1.25 C ATOM 0 H MET A 22 60.207 46.998-129.035 1.00 0.54 H new ATOM 0 HA MET A 22 57.704 47.109-130.681 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.594 44.879-129.835 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.006 44.556-130.501 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.094 46.309-131.893 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.883 44.603-132.233 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.937 44.227-134.387 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.665 43.875-134.144 1.00 1.25 H new ATOM 0 HE3 MET A 22 57.497 43.547-132.841 1.00 1.25 H new ATOM 99 N GLU A 23 56.189 46.466-128.767 1.00 0.47 N ATOM 100 CA GLU A 23 55.334 46.265-127.566 1.00 0.46 C ATOM 101 C GLU A 23 55.483 44.847-127.015 1.00 0.50 C ATOM 102 O GLU A 23 55.590 44.663-125.819 1.00 0.50 O ATOM 103 CB GLU A 23 53.871 46.524-127.929 1.00 0.50 C ATOM 104 CG GLU A 23 53.747 47.890-128.609 1.00 1.45 C ATOM 105 CD GLU A 23 53.602 48.979-127.544 1.00 2.02 C ATOM 106 OE1 GLU A 23 53.397 48.630-126.393 1.00 2.68 O ATOM 107 OE2 GLU A 23 53.698 50.142-127.897 1.00 2.48 O ATOM 0 H GLU A 23 55.687 46.678-129.629 1.00 0.47 H new ATOM 0 HA GLU A 23 55.654 46.967-126.796 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.506 45.741-128.594 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.252 46.495-127.032 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.626 48.083-129.224 1.00 1.45 H new ATOM 0 HG3 GLU A 23 52.884 47.900-129.274 1.00 1.45 H new ATOM 114 N LYS A 24 55.485 43.836-127.842 1.00 0.54 N ATOM 115 CA LYS A 24 55.623 42.457-127.299 1.00 0.59 C ATOM 116 C LYS A 24 56.864 42.373-126.421 1.00 0.53 C ATOM 117 O LYS A 24 56.795 42.000-125.266 1.00 0.55 O ATOM 118 CB LYS A 24 55.752 41.468-128.458 1.00 0.67 C ATOM 119 CG LYS A 24 56.791 41.986-129.455 1.00 0.64 C ATOM 120 CD LYS A 24 56.644 41.237-130.780 1.00 0.77 C ATOM 121 CE LYS A 24 55.300 41.591-131.419 1.00 1.46 C ATOM 122 NZ LYS A 24 54.366 40.438-131.278 1.00 2.09 N ATOM 0 H LYS A 24 55.398 43.904-128.856 1.00 0.54 H new ATOM 0 HA LYS A 24 54.743 42.212-126.704 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.048 40.488-128.083 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.789 41.342-128.952 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.657 43.056-129.613 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.795 41.846-129.055 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.460 41.502-131.453 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.707 40.162-130.611 1.00 0.77 H new ATOM 0 HE2 LYS A 24 54.879 42.475-130.940 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.438 41.834-132.472 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 53.392 40.790-131.187 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 54.437 39.829-132.118 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 54.617 39.890-130.431 1.00 2.09 H new ATOM 136 N LEU A 25 58.001 42.713-126.952 1.00 0.47 N ATOM 137 CA LEU A 25 59.254 42.654-126.155 1.00 0.42 C ATOM 138 C LEU A 25 59.109 43.481-124.884 1.00 0.39 C ATOM 139 O LEU A 25 59.313 43.000-123.796 1.00 0.55 O ATOM 140 CB LEU A 25 60.389 43.248-126.986 1.00 0.43 C ATOM 141 CG LEU A 25 61.025 42.178-127.868 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.065 42.672-129.317 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.451 41.921-127.377 1.00 1.03 C ATOM 0 H LEU A 25 58.117 43.032-127.914 1.00 0.47 H new ATOM 0 HA LEU A 25 59.462 41.617-125.892 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.007 44.059-127.606 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.143 43.679-126.327 1.00 0.43 H new ATOM 0 HG LEU A 25 60.443 41.258-127.817 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.519 41.909-129.949 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.050 42.872-129.661 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.654 43.587-129.373 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.918 41.157-127.999 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.029 42.843-127.439 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.423 41.579-126.342 1.00 1.03 H new ATOM 155 N ASN A 26 58.777 44.728-125.025 1.00 0.39 N ATOM 156 CA ASN A 26 58.642 45.580-123.809 1.00 0.37 C ATOM 157 C ASN A 26 57.771 44.828-122.799 1.00 0.40 C ATOM 158 O ASN A 26 58.147 44.601-121.666 1.00 0.40 O ATOM 159 CB ASN A 26 57.993 46.914-124.164 1.00 0.41 C ATOM 160 CG ASN A 26 58.690 47.499-125.394 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.411 46.806-126.083 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.511 48.753-125.697 1.00 0.45 N ATOM 0 H ASN A 26 58.595 45.193-125.914 1.00 0.39 H new ATOM 0 HA ASN A 26 59.626 45.785-123.386 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.931 46.774-124.365 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.070 47.605-123.324 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.976 49.152-126.512 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.906 49.336-125.119 1.00 0.45 H new ATOM 169 N GLN A 27 56.602 44.457-123.223 1.00 0.44 N ATOM 170 CA GLN A 27 55.666 43.730-122.325 1.00 0.50 C ATOM 171 C GLN A 27 56.412 42.595-121.621 1.00 0.47 C ATOM 172 O GLN A 27 56.417 42.511-120.407 1.00 0.48 O ATOM 173 CB GLN A 27 54.506 43.157-123.143 1.00 0.59 C ATOM 174 CG GLN A 27 53.621 44.300-123.642 1.00 0.58 C ATOM 175 CD GLN A 27 52.315 44.321-122.847 1.00 1.39 C ATOM 176 OE1 GLN A 27 51.862 43.297-122.374 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.686 45.452-122.677 1.00 2.02 N ATOM 0 H GLN A 27 56.249 44.627-124.164 1.00 0.44 H new ATOM 0 HA GLN A 27 55.271 44.420-121.579 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.890 42.585-123.988 1.00 0.59 H new ATOM 0 HB3 GLN A 27 53.921 42.470-122.532 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.141 45.251-123.531 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.410 44.173-124.704 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.066 46.311-123.074 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.815 45.476-122.147 1.00 2.02 H new ATOM 186 N LEU A 28 57.043 41.718-122.355 1.00 0.47 N ATOM 187 CA LEU A 28 57.778 40.594-121.696 1.00 0.47 C ATOM 188 C LEU A 28 58.966 41.153-120.914 1.00 0.39 C ATOM 189 O LEU A 28 59.425 40.573-119.950 1.00 0.50 O ATOM 190 CB LEU A 28 58.290 39.626-122.765 1.00 0.50 C ATOM 191 CG LEU A 28 57.118 39.128-123.611 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.561 38.995-125.069 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.658 37.763-123.092 1.00 1.21 C ATOM 0 H LEU A 28 57.083 41.728-123.374 1.00 0.47 H new ATOM 0 HA LEU A 28 57.106 40.069-121.017 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.023 40.124-123.399 1.00 0.50 H new ATOM 0 HB3 LEU A 28 58.796 38.783-122.294 1.00 0.50 H new ATOM 0 HG LEU A 28 56.295 39.839-123.545 1.00 0.62 H new ATOM 0 HD11 LEU A 28 56.725 38.640-125.672 1.00 1.41 H new ATOM 0 HD12 LEU A 28 57.889 39.966-125.440 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.385 38.284-125.136 1.00 1.41 H new ATOM 0 HD21 LEU A 28 55.822 37.407-123.695 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.482 37.052-123.158 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.342 37.856-122.053 1.00 1.21 H new ATOM 205 N TRP A 29 59.456 42.284-121.326 1.00 0.37 N ATOM 206 CA TRP A 29 60.604 42.894-120.608 1.00 0.30 C ATOM 207 C TRP A 29 60.126 43.267-119.220 1.00 0.36 C ATOM 208 O TRP A 29 60.610 42.759-118.213 1.00 0.39 O ATOM 209 CB TRP A 29 61.093 44.141-121.343 1.00 0.32 C ATOM 210 CG TRP A 29 62.287 44.699-120.641 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.478 46.008-120.390 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.452 44.003-120.099 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.681 46.169-119.731 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.317 44.964-119.525 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.841 42.648-120.045 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.521 44.597-118.922 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.051 42.279-119.437 1.00 0.37 C ATOM 218 CH2 TRP A 29 65.889 43.252-118.876 1.00 0.41 C ATOM 0 H TRP A 29 59.112 42.812-122.128 1.00 0.37 H new ATOM 0 HA TRP A 29 61.434 42.190-120.556 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.347 43.892-122.373 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.300 44.887-121.382 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.800 46.804-120.660 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.054 47.071-119.433 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.203 41.889-120.474 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.165 45.351-118.493 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.338 41.238-119.401 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.818 42.961-118.409 1.00 0.41 H new ATOM 229 N GLU A 30 59.158 44.133-119.148 1.00 0.45 N ATOM 230 CA GLU A 30 58.610 44.530-117.835 1.00 0.56 C ATOM 231 C GLU A 30 58.247 43.273-117.051 1.00 0.50 C ATOM 232 O GLU A 30 58.453 43.191-115.856 1.00 0.52 O ATOM 233 CB GLU A 30 57.349 45.367-118.072 1.00 0.68 C ATOM 234 CG GLU A 30 57.737 46.838-118.241 1.00 0.86 C ATOM 235 CD GLU A 30 57.852 47.497-116.865 1.00 1.53 C ATOM 236 OE1 GLU A 30 57.509 46.850-115.889 1.00 2.33 O ATOM 237 OE2 GLU A 30 58.282 48.638-116.810 1.00 2.06 O ATOM 0 H GLU A 30 58.722 44.584-119.952 1.00 0.45 H new ATOM 0 HA GLU A 30 59.342 45.110-117.273 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.827 45.013-118.961 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.662 45.255-117.233 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.685 46.916-118.774 1.00 0.86 H new ATOM 0 HG3 GLU A 30 56.990 47.355-118.842 1.00 0.86 H new ATOM 244 N LYS A 31 57.709 42.286-117.718 1.00 0.46 N ATOM 245 CA LYS A 31 57.334 41.031-117.015 1.00 0.45 C ATOM 246 C LYS A 31 58.569 40.445-116.332 1.00 0.43 C ATOM 247 O LYS A 31 58.567 40.188-115.141 1.00 0.46 O ATOM 248 CB LYS A 31 56.785 40.025-118.027 1.00 0.44 C ATOM 249 CG LYS A 31 55.315 39.736-117.718 1.00 0.91 C ATOM 250 CD LYS A 31 54.829 38.570-118.583 1.00 0.99 C ATOM 251 CE LYS A 31 54.737 39.018-120.043 1.00 1.36 C ATOM 252 NZ LYS A 31 53.332 38.873-120.519 1.00 2.08 N ATOM 0 H LYS A 31 57.514 42.298-118.719 1.00 0.46 H new ATOM 0 HA LYS A 31 56.571 41.246-116.267 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.884 40.420-119.038 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.364 39.102-117.988 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.196 39.493-116.662 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.711 40.622-117.912 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.514 37.727-118.493 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.855 38.227-118.235 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.059 40.055-120.137 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.406 38.419-120.661 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.317 38.297-121.385 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.763 38.407-119.784 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.935 39.813-120.721 1.00 2.08 H new ATOM 266 N ALA A 32 59.631 40.227-117.062 1.00 0.41 N ATOM 267 CA ALA A 32 60.836 39.658-116.407 1.00 0.41 C ATOM 268 C ALA A 32 61.197 40.548-115.226 1.00 0.41 C ATOM 269 O ALA A 32 61.160 40.119-114.084 1.00 0.42 O ATOM 270 CB ALA A 32 62.009 39.610-117.386 1.00 0.42 C ATOM 0 H ALA A 32 59.713 40.415-118.061 1.00 0.41 H new ATOM 0 HA ALA A 32 60.626 38.641-116.075 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.882 39.190-116.887 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.745 38.987-118.240 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.238 40.619-117.730 1.00 0.42 H new ATOM 276 N GLN A 33 61.545 41.788-115.458 1.00 0.43 N ATOM 277 CA GLN A 33 61.894 42.653-114.303 1.00 0.47 C ATOM 278 C GLN A 33 60.860 42.430-113.208 1.00 0.49 C ATOM 279 O GLN A 33 61.165 42.454-112.032 1.00 0.53 O ATOM 280 CB GLN A 33 61.884 44.120-114.736 1.00 0.51 C ATOM 281 CG GLN A 33 62.923 44.334-115.840 1.00 0.53 C ATOM 282 CD GLN A 33 62.594 45.613-116.609 1.00 0.75 C ATOM 283 OE1 GLN A 33 61.627 45.603-117.485 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.222 46.635-116.411 1.00 1.23 N flip ATOM 0 H GLN A 33 61.601 42.227-116.377 1.00 0.43 H new ATOM 0 HA GLN A 33 62.889 42.405-113.934 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.893 44.397-115.096 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.105 44.763-113.884 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.921 44.404-115.406 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.930 43.481-116.518 1.00 0.53 H new ATOM 0 HE21 GLN A 33 63.978 46.644-115.727 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.993 47.483-116.929 1.00 1.23 H new ATOM 293 N ARG A 34 59.634 42.206-113.588 1.00 0.49 N ATOM 294 CA ARG A 34 58.576 41.972-112.574 1.00 0.52 C ATOM 295 C ARG A 34 58.919 40.722-111.777 1.00 0.52 C ATOM 296 O ARG A 34 58.754 40.681-110.575 1.00 0.55 O ATOM 297 CB ARG A 34 57.231 41.783-113.268 1.00 0.56 C ATOM 298 CG ARG A 34 56.279 42.909-112.858 1.00 0.67 C ATOM 299 CD ARG A 34 55.685 42.605-111.481 1.00 1.59 C ATOM 300 NE ARG A 34 54.213 42.415-111.607 1.00 1.96 N ATOM 301 CZ ARG A 34 53.538 41.867-110.633 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.153 41.489-109.546 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.249 41.700-110.746 1.00 3.58 N ATOM 0 H ARG A 34 59.321 42.175-114.558 1.00 0.49 H new ATOM 0 HA ARG A 34 58.514 42.830-111.905 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.365 41.783-114.350 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.804 40.817-112.999 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.813 43.859-112.833 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.482 43.011-113.594 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.144 41.708-111.065 1.00 1.59 H new ATOM 0 HD3 ARG A 34 55.900 43.422-110.792 1.00 1.59 H new ATOM 0 HE ARG A 34 53.732 42.713-112.455 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.160 41.622-109.458 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.626 41.061-108.785 1.00 3.42 H new ATOM 0 HH21 ARG A 34 51.769 41.998-111.595 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.722 41.272-109.985 1.00 3.58 H new ATOM 317 N LEU A 35 59.428 39.714-112.423 1.00 0.50 N ATOM 318 CA LEU A 35 59.813 38.494-111.671 1.00 0.54 C ATOM 319 C LEU A 35 61.098 38.817-110.924 1.00 0.55 C ATOM 320 O LEU A 35 61.532 38.095-110.048 1.00 0.61 O ATOM 321 CB LEU A 35 60.051 37.335-112.641 1.00 0.57 C ATOM 322 CG LEU A 35 58.706 36.768-113.098 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.045 37.744-114.073 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.932 35.424-113.794 1.00 0.84 C ATOM 0 H LEU A 35 59.593 39.682-113.429 1.00 0.50 H new ATOM 0 HA LEU A 35 59.024 38.199-110.979 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.624 37.679-113.502 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.640 36.556-112.157 1.00 0.57 H new ATOM 0 HG LEU A 35 58.058 36.626-112.233 1.00 0.68 H new ATOM 0 HD11 LEU A 35 57.087 37.340-114.399 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.885 38.702-113.577 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.691 37.887-114.939 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.975 35.018-114.121 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.580 35.567-114.659 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.403 34.729-113.099 1.00 0.84 H new ATOM 336 N HIS A 36 61.699 39.919-111.277 1.00 0.53 N ATOM 337 CA HIS A 36 62.968 40.343-110.606 1.00 0.58 C ATOM 338 C HIS A 36 64.074 39.308-110.844 1.00 0.49 C ATOM 339 O HIS A 36 64.557 38.671-109.930 1.00 1.37 O ATOM 340 CB HIS A 36 62.726 40.500-109.103 1.00 0.98 C ATOM 341 CG HIS A 36 62.223 41.889-108.819 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.105 42.565-109.242 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.907 42.769-107.995 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 61.092 43.842-108.690 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.201 43.913-107.948 1.00 2.17 N flip ATOM 0 H HIS A 36 61.366 40.551-112.006 1.00 0.53 H new ATOM 0 HA HIS A 36 63.285 41.297-111.028 1.00 0.58 H new ATOM 0 HB2 HIS A 36 62.000 39.762-108.762 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.650 40.317-108.554 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.392 42.188-109.866 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.838 42.572-107.484 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.346 44.610-108.831 1.00 2.32 H new ATOM 353 N LEU A 37 64.468 39.148-112.072 1.00 0.59 N ATOM 354 CA LEU A 37 65.542 38.158-112.375 1.00 0.43 C ATOM 355 C LEU A 37 66.897 38.859-112.231 1.00 0.44 C ATOM 356 O LEU A 37 67.117 39.904-112.809 1.00 0.42 O ATOM 357 CB LEU A 37 65.415 37.636-113.807 1.00 0.53 C ATOM 358 CG LEU A 37 63.965 37.271-114.112 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.124 38.547-114.175 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.903 36.558-115.464 1.00 0.82 C ATOM 0 H LEU A 37 64.098 39.654-112.877 1.00 0.59 H new ATOM 0 HA LEU A 37 65.454 37.318-111.686 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.762 38.394-114.509 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.053 36.762-113.941 1.00 0.53 H new ATOM 0 HG LEU A 37 63.577 36.617-113.331 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.088 38.289-114.393 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.176 39.064-113.217 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.509 39.198-114.960 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.870 36.294-115.689 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.286 37.219-116.242 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.509 35.653-115.426 1.00 0.82 H new ATOM 372 N PRO A 38 67.805 38.297-111.468 1.00 0.57 N ATOM 373 CA PRO A 38 69.141 38.922-111.285 1.00 0.66 C ATOM 374 C PRO A 38 69.736 39.332-112.624 1.00 0.58 C ATOM 375 O PRO A 38 69.347 38.824-113.645 1.00 0.52 O ATOM 376 CB PRO A 38 69.948 37.787-110.653 1.00 0.81 C ATOM 377 CG PRO A 38 68.968 36.701-110.185 1.00 0.82 C ATOM 378 CD PRO A 38 67.578 37.014-110.754 1.00 0.69 C ATOM 0 HA PRO A 38 69.121 39.831-110.684 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.654 37.376-111.374 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.532 38.159-109.812 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.302 35.720-110.522 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.932 36.668-109.096 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.229 36.231-111.427 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.830 37.114-109.967 1.00 0.69 H new ATOM 386 N PRO A 39 70.666 40.239-112.631 1.00 0.62 N ATOM 387 CA PRO A 39 71.285 40.681-113.904 1.00 0.60 C ATOM 388 C PRO A 39 71.753 39.493-114.748 1.00 0.53 C ATOM 389 O PRO A 39 71.496 39.411-115.920 1.00 0.51 O ATOM 390 CB PRO A 39 72.471 41.519-113.418 1.00 0.74 C ATOM 391 CG PRO A 39 72.361 41.694-111.895 1.00 0.81 C ATOM 392 CD PRO A 39 71.167 40.876-111.389 1.00 0.74 C ATOM 0 HA PRO A 39 70.598 41.227-114.551 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.410 41.029-113.675 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.474 42.491-113.911 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.279 41.362-111.410 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.231 42.747-111.644 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.467 40.137-110.646 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.411 41.507-110.923 1.00 0.74 H new ATOM 400 N VAL A 40 72.477 38.602-114.151 1.00 0.52 N ATOM 401 CA VAL A 40 73.019 37.424-114.890 1.00 0.47 C ATOM 402 C VAL A 40 71.898 36.702-115.643 1.00 0.41 C ATOM 403 O VAL A 40 71.970 36.475-116.840 1.00 0.37 O ATOM 404 CB VAL A 40 73.657 36.461-113.883 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.588 35.543-113.287 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.724 35.617-114.585 1.00 0.50 C ATOM 0 H VAL A 40 72.725 38.634-113.162 1.00 0.52 H new ATOM 0 HA VAL A 40 73.761 37.764-115.612 1.00 0.47 H new ATOM 0 HB VAL A 40 74.118 37.038-113.082 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.050 34.862-112.572 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.834 36.144-112.779 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.117 34.968-114.084 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.177 34.933-113.868 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.264 35.045-115.391 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.492 36.271-114.997 1.00 0.50 H new ATOM 416 N ARG A 41 70.856 36.361-114.953 1.00 0.42 N ATOM 417 CA ARG A 41 69.722 35.664-115.617 1.00 0.40 C ATOM 418 C ARG A 41 68.921 36.688-116.407 1.00 0.34 C ATOM 419 O ARG A 41 68.249 36.371-117.377 1.00 0.30 O ATOM 420 CB ARG A 41 68.825 35.020-114.556 1.00 0.46 C ATOM 421 CG ARG A 41 69.043 33.506-114.551 1.00 0.87 C ATOM 422 CD ARG A 41 68.003 32.843-113.646 1.00 1.00 C ATOM 423 NE ARG A 41 68.695 32.067-112.579 1.00 1.53 N ATOM 424 CZ ARG A 41 68.032 31.669-111.528 1.00 2.18 C ATOM 425 NH1 ARG A 41 66.763 31.950-111.412 1.00 2.54 N ATOM 426 NH2 ARG A 41 68.637 30.989-110.592 1.00 3.12 N ATOM 0 H ARG A 41 70.736 36.533-113.955 1.00 0.42 H new ATOM 0 HA ARG A 41 70.098 34.888-116.284 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.052 35.434-113.573 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.779 35.246-114.763 1.00 0.46 H new ATOM 0 HG2 ARG A 41 68.962 33.113-115.564 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.048 33.274-114.199 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.358 33.600-113.200 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.362 32.184-114.232 1.00 1.00 H new ATOM 0 HE ARG A 41 69.687 31.847-112.670 1.00 1.53 H new ATOM 0 HH11 ARG A 41 66.289 32.481-112.143 1.00 2.54 H new ATOM 0 HH12 ARG A 41 66.245 31.639-110.590 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.629 30.768-110.682 1.00 3.12 H new ATOM 0 HH22 ARG A 41 68.118 30.678-109.771 1.00 3.12 H new ATOM 440 N LEU A 42 69.003 37.924-116.007 1.00 0.35 N ATOM 441 CA LEU A 42 68.256 38.979-116.732 1.00 0.30 C ATOM 442 C LEU A 42 69.018 39.326-117.997 1.00 0.31 C ATOM 443 O LEU A 42 68.457 39.811-118.946 1.00 0.49 O ATOM 444 CB LEU A 42 68.087 40.220-115.855 1.00 0.32 C ATOM 445 CG LEU A 42 66.869 41.017-116.338 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.586 40.378-115.817 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.955 42.447-115.807 1.00 0.60 C ATOM 0 H LEU A 42 69.554 38.246-115.211 1.00 0.35 H new ATOM 0 HA LEU A 42 67.261 38.614-116.986 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.956 39.928-114.813 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.983 40.838-115.903 1.00 0.32 H new ATOM 0 HG LEU A 42 66.859 41.020-117.428 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.727 40.951-116.165 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.513 39.355-116.186 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.600 40.371-114.727 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.090 43.015-116.149 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.970 42.430-114.717 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.867 42.918-116.175 1.00 0.60 H new ATOM 459 N ALA A 43 70.287 39.036-118.040 1.00 0.30 N ATOM 460 CA ALA A 43 71.067 39.299-119.270 1.00 0.30 C ATOM 461 C ALA A 43 70.852 38.087-120.152 1.00 0.29 C ATOM 462 O ALA A 43 70.788 38.164-121.353 1.00 0.28 O ATOM 463 CB ALA A 43 72.550 39.453-118.930 1.00 0.36 C ATOM 0 H ALA A 43 70.816 38.626-117.270 1.00 0.30 H new ATOM 0 HA ALA A 43 70.752 40.218-119.763 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.114 39.646-119.842 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.680 40.286-118.239 1.00 0.36 H new ATOM 0 HB3 ALA A 43 72.914 38.537-118.466 1.00 0.36 H new ATOM 469 N GLU A 44 70.705 36.961-119.533 1.00 0.30 N ATOM 470 CA GLU A 44 70.442 35.750-120.340 1.00 0.32 C ATOM 471 C GLU A 44 69.171 36.058-121.135 1.00 0.30 C ATOM 472 O GLU A 44 69.176 36.121-122.349 1.00 0.34 O ATOM 473 CB GLU A 44 70.226 34.538-119.429 1.00 0.37 C ATOM 474 CG GLU A 44 71.574 33.884-119.121 1.00 1.15 C ATOM 475 CD GLU A 44 72.573 34.956-118.677 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.724 35.930-119.395 1.00 2.80 O ATOM 477 OE2 GLU A 44 73.169 34.781-117.627 1.00 2.92 O ATOM 0 H GLU A 44 70.754 36.825-118.523 1.00 0.30 H new ATOM 0 HA GLU A 44 71.279 35.509-120.995 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.740 34.847-118.504 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.563 33.820-119.912 1.00 0.37 H new ATOM 0 HG2 GLU A 44 71.456 33.135-118.338 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.949 33.366-120.004 1.00 1.15 H new ATOM 484 N LEU A 45 68.083 36.260-120.444 1.00 0.28 N ATOM 485 CA LEU A 45 66.795 36.581-121.136 1.00 0.29 C ATOM 486 C LEU A 45 66.890 37.963-121.815 1.00 0.24 C ATOM 487 O LEU A 45 66.657 38.104-122.992 1.00 0.25 O ATOM 488 CB LEU A 45 65.664 36.598-120.103 1.00 0.34 C ATOM 489 CG LEU A 45 64.337 36.919-120.795 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.577 35.620-121.072 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.495 37.816-119.886 1.00 0.77 C ATOM 0 H LEU A 45 68.027 36.217-119.426 1.00 0.28 H new ATOM 0 HA LEU A 45 66.595 35.826-121.896 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.600 35.631-119.604 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.873 37.341-119.333 1.00 0.34 H new ATOM 0 HG LEU A 45 64.533 37.433-121.736 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.632 35.849-121.565 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.177 34.978-121.718 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.380 35.106-120.131 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.549 38.046-120.377 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.300 37.300-118.946 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.035 38.742-119.687 1.00 0.77 H new ATOM 503 N HIS A 46 67.230 38.970-121.062 1.00 0.21 N ATOM 504 CA HIS A 46 67.335 40.340-121.663 1.00 0.20 C ATOM 505 C HIS A 46 68.173 40.237-122.944 1.00 0.19 C ATOM 506 O HIS A 46 67.789 40.704-124.001 1.00 0.21 O ATOM 507 CB HIS A 46 68.002 41.323-120.697 1.00 0.23 C ATOM 508 CG HIS A 46 68.030 42.694-121.318 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.044 43.625-121.539 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.199 43.260-121.800 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.591 44.750-122.149 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.892 44.478-122.283 1.00 0.31 N flip ATOM 0 H HIS A 46 67.439 38.912-120.065 1.00 0.21 H new ATOM 0 HA HIS A 46 66.333 40.712-121.879 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.456 41.350-119.754 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.016 40.994-120.469 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.061 43.509-121.293 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.179 42.806-121.790 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.075 45.650-122.449 1.00 0.35 H new ATOM 520 N ALA A 47 69.316 39.620-122.848 1.00 0.19 N ATOM 521 CA ALA A 47 70.202 39.461-124.036 1.00 0.22 C ATOM 522 C ALA A 47 69.425 38.787-125.161 1.00 0.21 C ATOM 523 O ALA A 47 69.272 39.327-126.237 1.00 0.22 O ATOM 524 CB ALA A 47 71.403 38.587-123.664 1.00 0.27 C ATOM 0 H ALA A 47 69.680 39.213-121.986 1.00 0.19 H new ATOM 0 HA ALA A 47 70.548 40.442-124.363 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.051 38.470-124.533 1.00 0.27 H new ATOM 0 HB2 ALA A 47 71.961 39.060-122.856 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.053 37.607-123.338 1.00 0.27 H new ATOM 530 N ASP A 48 68.922 37.614-124.917 1.00 0.22 N ATOM 531 CA ASP A 48 68.145 36.914-125.975 1.00 0.25 C ATOM 532 C ASP A 48 67.090 37.880-126.507 1.00 0.22 C ATOM 533 O ASP A 48 66.922 38.049-127.697 1.00 0.25 O ATOM 534 CB ASP A 48 67.463 35.677-125.385 1.00 0.28 C ATOM 535 CG ASP A 48 68.492 34.844-124.619 1.00 0.31 C ATOM 536 OD1 ASP A 48 69.672 35.022-124.867 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.081 34.041-123.797 1.00 0.94 O ATOM 0 H ASP A 48 69.014 37.110-124.035 1.00 0.22 H new ATOM 0 HA ASP A 48 68.807 36.596-126.781 1.00 0.25 H new ATOM 0 HB2 ASP A 48 66.654 35.977-124.719 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.016 35.081-126.181 1.00 0.28 H new ATOM 542 N LEU A 49 66.391 38.527-125.621 1.00 0.19 N ATOM 543 CA LEU A 49 65.358 39.499-126.057 1.00 0.19 C ATOM 544 C LEU A 49 66.007 40.476-127.033 1.00 0.18 C ATOM 545 O LEU A 49 65.396 40.902-127.990 1.00 0.19 O ATOM 546 CB LEU A 49 64.800 40.249-124.846 1.00 0.18 C ATOM 547 CG LEU A 49 63.952 39.291-124.007 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.275 40.066-122.876 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.880 38.644-124.889 1.00 0.89 C ATOM 0 H LEU A 49 66.492 38.424-124.611 1.00 0.19 H new ATOM 0 HA LEU A 49 64.532 38.980-126.544 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.616 40.652-124.246 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.197 41.095-125.174 1.00 0.18 H new ATOM 0 HG LEU A 49 64.594 38.516-123.588 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.671 39.384-122.278 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.035 40.526-122.244 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.636 40.842-123.298 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.278 37.962-124.289 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.240 39.419-125.311 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.359 38.090-125.696 1.00 0.89 H new ATOM 561 N LYS A 50 67.254 40.815-126.820 1.00 0.20 N ATOM 562 CA LYS A 50 67.928 41.736-127.774 1.00 0.21 C ATOM 563 C LYS A 50 68.146 40.970-129.076 1.00 0.23 C ATOM 564 O LYS A 50 67.689 41.364-130.127 1.00 0.24 O ATOM 565 CB LYS A 50 69.282 42.184-127.213 1.00 0.24 C ATOM 566 CG LYS A 50 69.069 43.230-126.115 1.00 0.36 C ATOM 567 CD LYS A 50 70.346 43.361-125.280 1.00 0.84 C ATOM 568 CE LYS A 50 71.276 44.390-125.926 1.00 1.09 C ATOM 569 NZ LYS A 50 71.894 43.803-127.147 1.00 1.84 N ATOM 0 H LYS A 50 67.825 40.497-126.037 1.00 0.20 H new ATOM 0 HA LYS A 50 67.315 42.622-127.939 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.821 41.326-126.811 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.896 42.601-128.011 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.812 44.192-126.559 1.00 0.36 H new ATOM 0 HG3 LYS A 50 68.234 42.939-125.478 1.00 0.36 H new ATOM 0 HD2 LYS A 50 70.099 43.667-124.263 1.00 0.84 H new ATOM 0 HD3 LYS A 50 70.847 42.396-125.209 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.717 45.289-126.185 1.00 1.09 H new ATOM 0 HE3 LYS A 50 72.051 44.689-125.221 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.877 44.131-127.231 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.880 42.765-127.078 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.357 44.102-127.986 1.00 1.84 H new ATOM 583 N ILE A 51 68.832 39.867-129.006 1.00 0.25 N ATOM 584 CA ILE A 51 69.058 39.081-130.247 1.00 0.27 C ATOM 585 C ILE A 51 67.723 39.037-130.988 1.00 0.26 C ATOM 586 O ILE A 51 67.592 39.521-132.106 1.00 0.25 O ATOM 587 CB ILE A 51 69.503 37.660-129.895 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.000 37.660-129.584 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.231 36.731-131.080 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.289 38.680-128.483 1.00 0.30 C ATOM 0 H ILE A 51 69.241 39.479-128.156 1.00 0.25 H new ATOM 0 HA ILE A 51 69.836 39.535-130.861 1.00 0.27 H new ATOM 0 HB ILE A 51 68.948 37.311-129.024 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.317 36.666-129.267 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.569 37.905-130.481 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.548 35.719-130.829 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.165 36.732-131.306 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.786 37.080-131.951 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.356 38.682-128.260 1.00 0.30 H new ATOM 0 HD12 ILE A 51 70.987 39.672-128.818 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.731 38.414-127.585 1.00 0.30 H new ATOM 602 N GLN A 52 66.712 38.497-130.365 1.00 0.26 N ATOM 603 CA GLN A 52 65.385 38.461-131.016 1.00 0.27 C ATOM 604 C GLN A 52 64.984 39.892-131.365 1.00 0.24 C ATOM 605 O GLN A 52 64.238 40.121-132.280 1.00 0.26 O ATOM 606 CB GLN A 52 64.363 37.857-130.051 1.00 0.32 C ATOM 607 CG GLN A 52 63.200 37.262-130.842 1.00 0.45 C ATOM 608 CD GLN A 52 63.553 35.837-131.270 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.703 34.961-130.442 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.694 35.566-132.540 1.00 0.48 N ATOM 0 H GLN A 52 66.753 38.081-129.435 1.00 0.26 H new ATOM 0 HA GLN A 52 65.421 37.853-131.920 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.834 37.085-129.442 1.00 0.32 H new ATOM 0 HB3 GLN A 52 63.997 38.623-129.367 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.296 37.257-130.233 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.990 37.875-131.718 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.568 36.301-133.235 1.00 0.48 H new ATOM 0 HE22 GLN A 52 63.930 34.619-132.836 1.00 0.48 H new ATOM 619 N GLU A 53 65.463 40.861-130.628 1.00 0.23 N ATOM 620 CA GLU A 53 65.087 42.270-130.942 1.00 0.23 C ATOM 621 C GLU A 53 65.745 42.681-132.256 1.00 0.20 C ATOM 622 O GLU A 53 65.190 43.425-133.030 1.00 0.21 O ATOM 623 CB GLU A 53 65.555 43.221-129.846 1.00 0.25 C ATOM 624 CG GLU A 53 65.148 44.645-130.231 1.00 0.28 C ATOM 625 CD GLU A 53 66.340 45.587-130.044 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.454 45.162-130.302 1.00 1.04 O ATOM 627 OE2 GLU A 53 66.117 46.719-129.645 1.00 1.09 O ATOM 0 H GLU A 53 66.090 40.740-129.833 1.00 0.23 H new ATOM 0 HA GLU A 53 64.001 42.326-131.017 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.110 42.945-128.890 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.636 43.156-129.725 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.811 44.670-131.267 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.311 44.974-129.615 1.00 0.28 H new ATOM 634 N ARG A 54 66.927 42.205-132.513 1.00 0.22 N ATOM 635 CA ARG A 54 67.611 42.570-133.782 1.00 0.22 C ATOM 636 C ARG A 54 66.904 41.871-134.934 1.00 0.20 C ATOM 637 O ARG A 54 66.786 42.390-136.029 1.00 0.21 O ATOM 638 CB ARG A 54 69.057 42.092-133.723 1.00 0.24 C ATOM 639 CG ARG A 54 69.868 43.029-132.831 1.00 0.27 C ATOM 640 CD ARG A 54 71.315 43.087-133.324 1.00 0.85 C ATOM 641 NE ARG A 54 72.008 41.817-132.973 1.00 1.55 N ATOM 642 CZ ARG A 54 73.142 41.514-133.544 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.668 42.323-134.422 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.751 40.401-133.236 1.00 3.03 N ATOM 0 H ARG A 54 67.450 41.579-131.900 1.00 0.22 H new ATOM 0 HA ARG A 54 67.585 43.650-133.925 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.099 41.075-133.333 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.484 42.067-134.726 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.430 44.027-132.842 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.839 42.680-131.799 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.337 43.240-134.403 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.832 43.933-132.871 1.00 0.85 H new ATOM 0 HE ARG A 54 71.597 41.184-132.287 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.193 43.193-134.663 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.554 42.086-134.868 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.341 39.768-132.549 1.00 3.03 H new ATOM 0 HH22 ARG A 54 74.637 40.164-133.682 1.00 3.03 H new ATOM 658 N ASP A 55 66.398 40.704-134.670 1.00 0.20 N ATOM 659 CA ASP A 55 65.662 39.955-135.731 1.00 0.21 C ATOM 660 C ASP A 55 64.216 40.461-135.804 1.00 0.21 C ATOM 661 O ASP A 55 63.637 40.591-136.869 1.00 0.20 O ATOM 662 CB ASP A 55 65.665 38.462-135.395 1.00 0.25 C ATOM 663 CG ASP A 55 67.106 37.979-135.223 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.001 38.804-135.316 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.291 36.794-135.002 1.00 0.84 O ATOM 0 H ASP A 55 66.460 40.232-133.768 1.00 0.20 H new ATOM 0 HA ASP A 55 66.150 40.112-136.693 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.099 38.283-134.481 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.174 37.899-136.189 1.00 0.25 H new ATOM 670 N GLU A 56 63.639 40.779-134.683 1.00 0.27 N ATOM 671 CA GLU A 56 62.247 41.293-134.683 1.00 0.32 C ATOM 672 C GLU A 56 62.266 42.717-135.194 1.00 0.30 C ATOM 673 O GLU A 56 61.542 43.067-136.094 1.00 0.31 O ATOM 674 CB GLU A 56 61.667 41.251-133.270 1.00 0.39 C ATOM 675 CG GLU A 56 61.611 39.802-132.788 1.00 0.44 C ATOM 676 CD GLU A 56 61.581 39.774-131.258 1.00 0.89 C ATOM 677 OE1 GLU A 56 62.645 39.837-130.664 1.00 1.72 O ATOM 678 OE2 GLU A 56 60.496 39.689-130.707 1.00 1.39 O ATOM 0 H GLU A 56 64.074 40.705-133.763 1.00 0.27 H new ATOM 0 HA GLU A 56 61.622 40.672-135.325 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.281 41.847-132.595 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.668 41.688-133.262 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.726 39.308-133.189 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.477 39.252-133.156 1.00 0.44 H new ATOM 685 N LEU A 57 63.120 43.539-134.671 1.00 0.30 N ATOM 686 CA LEU A 57 63.183 44.914-135.205 1.00 0.32 C ATOM 687 C LEU A 57 63.495 44.768-136.691 1.00 0.28 C ATOM 688 O LEU A 57 62.848 45.348-137.538 1.00 0.29 O ATOM 689 CB LEU A 57 64.285 45.718-134.513 1.00 0.36 C ATOM 690 CG LEU A 57 63.774 46.243-133.172 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.944 46.819-132.370 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.739 47.342-133.419 1.00 1.22 C ATOM 0 H LEU A 57 63.765 43.324-133.911 1.00 0.30 H new ATOM 0 HA LEU A 57 62.247 45.446-135.035 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.163 45.091-134.358 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.594 46.550-135.146 1.00 0.36 H new ATOM 0 HG LEU A 57 63.316 45.427-132.613 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.580 47.194-131.413 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.685 46.039-132.196 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.401 47.635-132.929 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.373 47.718-132.464 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.200 48.157-133.977 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.906 46.935-133.992 1.00 1.22 H new ATOM 704 N ALA A 58 64.457 43.941-137.014 1.00 0.25 N ATOM 705 CA ALA A 58 64.760 43.710-138.446 1.00 0.24 C ATOM 706 C ALA A 58 63.467 43.209-139.089 1.00 0.21 C ATOM 707 O ALA A 58 63.218 43.382-140.270 1.00 0.21 O ATOM 708 CB ALA A 58 65.857 42.652-138.585 1.00 0.24 C ATOM 0 H ALA A 58 65.036 43.424-136.352 1.00 0.25 H new ATOM 0 HA ALA A 58 65.113 44.622-138.927 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.073 42.489-139.641 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.759 42.995-138.079 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.521 41.718-138.135 1.00 0.24 H new ATOM 714 N TRP A 59 62.610 42.631-138.287 1.00 0.19 N ATOM 715 CA TRP A 59 61.314 42.163-138.832 1.00 0.18 C ATOM 716 C TRP A 59 60.399 43.373-139.042 1.00 0.20 C ATOM 717 O TRP A 59 60.008 43.671-140.155 1.00 0.30 O ATOM 718 CB TRP A 59 60.641 41.166-137.891 1.00 0.19 C ATOM 719 CG TRP A 59 59.428 40.651-138.584 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.418 39.656-139.498 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.054 41.106-138.454 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.128 39.481-139.953 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.245 40.347-139.330 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.440 42.095-137.668 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.870 40.565-139.424 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.058 42.316-137.757 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.276 41.552-138.633 1.00 0.39 C ATOM 0 H TRP A 59 62.754 42.467-137.291 1.00 0.19 H new ATOM 0 HA TRP A 59 61.497 41.656-139.779 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.320 40.349-137.648 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.371 41.647-136.951 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.280 39.090-139.820 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.858 38.798-140.661 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.036 42.689-136.991 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.270 39.976-140.102 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.595 43.078-137.148 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.212 41.726-138.697 1.00 0.39 H new ATOM 738 N LYS A 60 60.040 44.077-137.995 1.00 0.27 N ATOM 739 CA LYS A 60 59.152 45.250-138.200 1.00 0.30 C ATOM 740 C LYS A 60 59.680 46.002-139.419 1.00 0.29 C ATOM 741 O LYS A 60 58.935 46.583-140.186 1.00 0.31 O ATOM 742 CB LYS A 60 59.164 46.156-136.961 1.00 0.38 C ATOM 743 CG LYS A 60 60.356 47.115-137.022 1.00 0.42 C ATOM 744 CD LYS A 60 60.350 48.010-135.780 1.00 1.08 C ATOM 745 CE LYS A 60 59.135 48.939-135.826 1.00 1.53 C ATOM 746 NZ LYS A 60 57.978 48.275-135.163 1.00 2.27 N ATOM 0 H LYS A 60 60.319 43.892-137.031 1.00 0.27 H new ATOM 0 HA LYS A 60 58.121 44.932-138.359 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.234 46.722-136.906 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.222 45.549-136.058 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.288 46.552-137.074 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.301 47.725-137.924 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.320 47.398-134.878 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.268 48.596-135.737 1.00 1.08 H new ATOM 0 HE2 LYS A 60 59.364 49.880-135.326 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.887 49.180-136.860 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 57.267 48.021-135.878 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 58.303 47.415-134.677 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 57.555 48.925-134.470 1.00 2.27 H new ATOM 760 N LYS A 61 60.971 45.951-139.623 1.00 0.28 N ATOM 761 CA LYS A 61 61.560 46.620-140.810 1.00 0.30 C ATOM 762 C LYS A 61 61.310 45.731-142.026 1.00 0.27 C ATOM 763 O LYS A 61 61.175 46.207-143.136 1.00 0.35 O ATOM 764 CB LYS A 61 63.063 46.819-140.617 1.00 0.35 C ATOM 765 CG LYS A 61 63.330 47.402-139.228 1.00 0.40 C ATOM 766 CD LYS A 61 63.903 48.813-139.367 1.00 0.77 C ATOM 767 CE LYS A 61 65.364 48.729-139.814 1.00 1.42 C ATOM 768 NZ LYS A 61 65.957 50.096-139.833 1.00 2.43 N ATOM 0 H LYS A 61 61.638 45.474-139.017 1.00 0.28 H new ATOM 0 HA LYS A 61 61.101 47.599-140.950 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.583 45.868-140.729 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.453 47.488-141.384 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.406 47.429-138.650 1.00 0.40 H new ATOM 0 HG3 LYS A 61 64.029 46.767-138.684 1.00 0.40 H new ATOM 0 HD2 LYS A 61 63.322 49.383-140.092 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.832 49.341-138.416 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.926 48.086-139.137 1.00 1.42 H new ATOM 0 HE3 LYS A 61 65.427 48.280-140.805 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.950 50.039-140.137 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 65.426 50.696-140.496 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.910 50.508-138.879 1.00 2.43 H new ATOM 782 N LEU A 62 61.201 44.440-141.822 1.00 0.24 N ATOM 783 CA LEU A 62 60.904 43.536-142.967 1.00 0.24 C ATOM 784 C LEU A 62 59.495 43.827-143.458 1.00 0.24 C ATOM 785 O LEU A 62 59.284 44.233-144.583 1.00 0.26 O ATOM 786 CB LEU A 62 60.939 42.078-142.512 1.00 0.24 C ATOM 787 CG LEU A 62 62.355 41.522-142.614 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.533 40.409-141.582 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.559 40.950-144.017 1.00 0.41 C ATOM 0 H LEU A 62 61.305 43.980-140.918 1.00 0.24 H new ATOM 0 HA LEU A 62 61.645 43.700-143.749 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.585 42.003-141.484 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.263 41.483-143.126 1.00 0.24 H new ATOM 0 HG LEU A 62 63.082 42.312-142.426 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.544 40.008-141.650 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.369 40.810-140.582 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.813 39.614-141.776 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.569 40.549-144.103 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.836 40.154-144.194 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.418 41.739-144.756 1.00 0.41 H new ATOM 801 N LYS A 63 58.522 43.606-142.615 1.00 0.24 N ATOM 802 CA LYS A 63 57.123 43.857-143.036 1.00 0.26 C ATOM 803 C LYS A 63 56.981 45.327-143.440 1.00 0.29 C ATOM 804 O LYS A 63 56.245 45.655-144.350 1.00 0.30 O ATOM 805 CB LYS A 63 56.155 43.524-141.896 1.00 0.34 C ATOM 806 CG LYS A 63 56.673 44.101-140.581 1.00 0.46 C ATOM 807 CD LYS A 63 55.485 44.481-139.692 1.00 0.41 C ATOM 808 CE LYS A 63 54.705 45.631-140.333 1.00 0.58 C ATOM 809 NZ LYS A 63 54.668 46.789-139.396 1.00 1.20 N ATOM 0 H LYS A 63 58.639 43.265-141.661 1.00 0.24 H new ATOM 0 HA LYS A 63 56.879 43.219-143.886 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.168 43.931-142.116 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.042 42.443-141.808 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.303 43.371-140.073 1.00 0.46 H new ATOM 0 HG3 LYS A 63 57.292 44.977-140.774 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.832 43.619-139.554 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.838 44.775-138.704 1.00 0.41 H new ATOM 0 HE2 LYS A 63 55.175 45.924-141.272 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.691 45.309-140.570 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 54.470 47.660-139.928 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.921 46.639-138.688 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 55.587 46.877-138.917 1.00 1.20 H new ATOM 823 N LEU A 64 57.706 46.219-142.804 1.00 0.33 N ATOM 824 CA LEU A 64 57.629 47.656-143.200 1.00 0.43 C ATOM 825 C LEU A 64 58.099 47.787-144.645 1.00 0.52 C ATOM 826 O LEU A 64 57.456 48.404-145.472 1.00 0.75 O ATOM 827 CB LEU A 64 58.549 48.483-142.291 1.00 0.38 C ATOM 828 CG LEU A 64 57.802 48.954-141.036 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.181 50.327-141.302 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.694 47.966-140.672 1.00 1.23 C ATOM 0 H LEU A 64 58.342 46.013-142.034 1.00 0.33 H new ATOM 0 HA LEU A 64 56.605 48.017-143.104 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.413 47.885-142.001 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.927 49.346-142.839 1.00 0.38 H new ATOM 0 HG LEU A 64 58.509 49.016-140.209 1.00 0.50 H new ATOM 0 HD11 LEU A 64 56.649 50.664-140.412 1.00 1.10 H new ATOM 0 HD12 LEU A 64 57.967 51.041-141.547 1.00 1.10 H new ATOM 0 HD13 LEU A 64 56.483 50.255-142.136 1.00 1.10 H new ATOM 0 HD21 LEU A 64 56.174 48.315-139.780 1.00 1.23 H new ATOM 0 HD22 LEU A 64 55.987 47.892-141.498 1.00 1.23 H new ATOM 0 HD23 LEU A 64 57.130 46.986-140.478 1.00 1.23 H new ATOM 842 N ASP A 65 59.216 47.195-144.950 1.00 0.45 N ATOM 843 CA ASP A 65 59.741 47.258-146.338 1.00 0.60 C ATOM 844 C ASP A 65 58.951 46.278-147.204 1.00 0.96 C ATOM 845 O ASP A 65 59.144 46.194-148.401 1.00 0.98 O ATOM 846 CB ASP A 65 61.221 46.871-146.345 1.00 0.53 C ATOM 847 CG ASP A 65 62.042 47.983-145.690 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.449 48.966-145.276 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.251 47.833-145.612 1.00 1.31 O ATOM 0 H ASP A 65 59.791 46.667-144.294 1.00 0.45 H new ATOM 0 HA ASP A 65 59.636 48.270-146.730 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.365 45.933-145.808 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.560 46.708-147.368 1.00 0.53 H new ATOM 854 N GLY A 66 58.063 45.531-146.603 1.00 1.30 N ATOM 855 CA GLY A 66 57.263 44.550-147.387 1.00 1.72 C ATOM 856 C GLY A 66 58.184 43.438-147.879 1.00 0.91 C ATOM 857 O GLY A 66 58.370 43.254-149.065 1.00 1.14 O ATOM 0 H GLY A 66 57.858 45.559-145.604 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.467 44.134-146.769 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.785 45.044-148.233 1.00 1.72 H new ATOM 861 N LEU A 67 58.774 42.696-146.980 1.00 0.37 N ATOM 862 CA LEU A 67 59.685 41.609-147.414 1.00 1.03 C ATOM 863 C LEU A 67 59.084 40.247-147.070 1.00 0.91 C ATOM 864 O LEU A 67 59.133 39.327-147.862 1.00 1.09 O ATOM 865 CB LEU A 67 61.037 41.770-146.720 1.00 1.69 C ATOM 866 CG LEU A 67 61.922 42.705-147.548 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.988 43.336-146.651 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.603 41.904-148.661 1.00 2.68 C ATOM 0 H LEU A 67 58.663 42.798-145.971 1.00 0.37 H new ATOM 0 HA LEU A 67 59.822 41.668-148.494 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.898 42.175-145.718 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.519 40.799-146.608 1.00 1.69 H new ATOM 0 HG LEU A 67 61.307 43.492-147.985 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.616 44.001-147.244 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.505 43.906-145.857 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.604 42.552-146.211 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.234 42.567-149.253 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.216 41.117-148.221 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.845 41.456-149.303 1.00 2.68 H new ATOM 880 N ASP A 68 58.479 40.110-145.923 1.00 0.69 N ATOM 881 CA ASP A 68 57.837 38.815-145.571 1.00 0.59 C ATOM 882 C ASP A 68 56.321 38.991-145.531 1.00 0.59 C ATOM 883 O ASP A 68 55.800 39.515-144.567 1.00 0.59 O ATOM 884 CB ASP A 68 58.309 38.389-144.181 1.00 0.53 C ATOM 885 CG ASP A 68 58.181 36.871-144.051 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.410 36.190-145.037 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.858 36.414-142.967 1.00 0.97 O ATOM 0 H ASP A 68 58.402 40.840-145.215 1.00 0.69 H new ATOM 0 HA ASP A 68 58.105 38.064-146.314 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.344 38.693-144.026 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.713 38.883-143.414 1.00 0.53 H new ATOM 892 N GLU A 69 55.577 38.547-146.506 1.00 0.63 N ATOM 893 CA GLU A 69 54.104 38.700-146.395 1.00 0.69 C ATOM 894 C GLU A 69 53.588 37.474-145.653 1.00 0.71 C ATOM 895 O GLU A 69 52.689 37.547-144.839 1.00 0.77 O ATOM 896 CB GLU A 69 53.480 38.764-147.792 1.00 0.73 C ATOM 897 CG GLU A 69 54.042 37.632-148.655 1.00 0.75 C ATOM 898 CD GLU A 69 53.346 37.635-150.017 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.242 37.123-150.098 1.00 2.06 O ATOM 900 OE2 GLU A 69 53.931 38.149-150.958 1.00 1.82 O ATOM 0 H GLU A 69 55.917 38.095-147.355 1.00 0.63 H new ATOM 0 HA GLU A 69 53.844 39.617-145.866 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.396 38.678-147.722 1.00 0.73 H new ATOM 0 HB3 GLU A 69 53.694 39.728-148.254 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.117 37.758-148.784 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.891 36.673-148.159 1.00 0.75 H new ATOM 907 N ASP A 70 54.188 36.345-145.920 1.00 0.72 N ATOM 908 CA ASP A 70 53.776 35.098-145.220 1.00 0.78 C ATOM 909 C ASP A 70 53.984 35.324-143.726 1.00 0.69 C ATOM 910 O ASP A 70 53.378 34.687-142.888 1.00 0.84 O ATOM 911 CB ASP A 70 54.639 33.927-145.694 1.00 0.83 C ATOM 912 CG ASP A 70 54.389 33.677-147.183 1.00 0.95 C ATOM 913 OD1 ASP A 70 53.624 34.426-147.768 1.00 1.34 O ATOM 914 OD2 ASP A 70 54.965 32.740-147.710 1.00 1.43 O ATOM 0 H ASP A 70 54.946 36.234-146.593 1.00 0.72 H new ATOM 0 HA ASP A 70 52.733 34.863-145.433 1.00 0.78 H new ATOM 0 HB2 ASP A 70 55.693 34.146-145.523 1.00 0.83 H new ATOM 0 HB3 ASP A 70 54.402 33.031-145.119 1.00 0.83 H new ATOM 919 N GLY A 71 54.841 36.251-143.403 1.00 0.50 N ATOM 920 CA GLY A 71 55.114 36.569-141.978 1.00 0.43 C ATOM 921 C GLY A 71 55.920 35.444-141.331 1.00 0.34 C ATOM 922 O GLY A 71 56.085 35.410-140.127 1.00 0.31 O ATOM 0 H GLY A 71 55.369 36.807-144.075 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.664 37.508-141.906 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.175 36.708-141.442 1.00 0.43 H new ATOM 926 N GLU A 72 56.430 34.519-142.102 1.00 0.36 N ATOM 927 CA GLU A 72 57.218 33.423-141.477 1.00 0.34 C ATOM 928 C GLU A 72 58.322 34.055-140.630 1.00 0.30 C ATOM 929 O GLU A 72 58.485 33.744-139.473 1.00 0.30 O ATOM 930 CB GLU A 72 57.842 32.549-142.568 1.00 0.40 C ATOM 931 CG GLU A 72 58.683 31.448-141.921 1.00 1.23 C ATOM 932 CD GLU A 72 59.497 30.729-142.998 1.00 1.97 C ATOM 933 OE1 GLU A 72 58.892 30.093-143.846 1.00 2.68 O ATOM 934 OE2 GLU A 72 60.713 30.826-142.959 1.00 2.64 O ATOM 0 H GLU A 72 56.337 34.476-143.117 1.00 0.36 H new ATOM 0 HA GLU A 72 56.574 32.801-140.856 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.060 32.108-143.187 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.464 33.157-143.225 1.00 0.40 H new ATOM 0 HG2 GLU A 72 59.349 31.877-141.172 1.00 1.23 H new ATOM 0 HG3 GLU A 72 58.037 30.738-141.404 1.00 1.23 H new ATOM 941 N LYS A 73 59.076 34.950-141.201 1.00 0.31 N ATOM 942 CA LYS A 73 60.160 35.603-140.418 1.00 0.33 C ATOM 943 C LYS A 73 59.585 36.024-139.064 1.00 0.29 C ATOM 944 O LYS A 73 60.218 35.894-138.027 1.00 0.29 O ATOM 945 CB LYS A 73 60.671 36.829-141.180 1.00 0.38 C ATOM 946 CG LYS A 73 61.037 36.424-142.610 1.00 0.55 C ATOM 947 CD LYS A 73 61.765 37.576-143.303 1.00 1.07 C ATOM 948 CE LYS A 73 63.273 37.414-143.107 1.00 1.38 C ATOM 949 NZ LYS A 73 63.591 37.438-141.651 1.00 2.36 N ATOM 0 H LYS A 73 58.990 35.257-142.170 1.00 0.31 H new ATOM 0 HA LYS A 73 60.992 34.915-140.268 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.907 37.606-141.195 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.541 37.248-140.675 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.671 35.537-142.596 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.136 36.164-143.166 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.524 37.586-144.366 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.434 38.530-142.892 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.609 36.475-143.548 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.805 38.215-143.619 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.579 37.734-141.516 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.960 38.109-141.169 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.457 36.488-141.251 1.00 2.36 H new ATOM 963 N GLU A 74 58.352 36.443-139.055 1.00 0.28 N ATOM 964 CA GLU A 74 57.703 36.793-137.767 1.00 0.28 C ATOM 965 C GLU A 74 57.437 35.472-137.057 1.00 0.26 C ATOM 966 O GLU A 74 57.519 35.357-135.861 1.00 0.27 O ATOM 967 CB GLU A 74 56.382 37.515-138.031 1.00 0.31 C ATOM 968 CG GLU A 74 56.037 38.381-136.824 1.00 0.37 C ATOM 969 CD GLU A 74 54.520 38.427-136.640 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.823 37.930-137.510 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.080 38.959-135.634 1.00 1.14 O ATOM 0 H GLU A 74 57.768 36.558-139.883 1.00 0.28 H new ATOM 0 HA GLU A 74 58.331 37.452-137.167 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.463 38.132-138.926 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.588 36.791-138.214 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.510 37.978-135.928 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.427 39.389-136.964 1.00 0.37 H new ATOM 978 N ALA A 75 57.135 34.476-137.833 1.00 0.25 N ATOM 979 CA ALA A 75 56.887 33.134-137.246 1.00 0.27 C ATOM 980 C ALA A 75 58.173 32.722-136.547 1.00 0.26 C ATOM 981 O ALA A 75 58.219 32.604-135.341 1.00 0.27 O ATOM 982 CB ALA A 75 56.528 32.126-138.339 1.00 0.30 C ATOM 0 H ALA A 75 57.049 34.531-138.848 1.00 0.25 H new ATOM 0 HA ALA A 75 56.051 33.163-136.547 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.350 31.149-137.889 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.628 32.456-138.857 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.350 32.053-139.051 1.00 0.30 H new ATOM 988 N ARG A 76 59.219 32.492-137.285 1.00 0.28 N ATOM 989 CA ARG A 76 60.488 32.078-136.638 1.00 0.31 C ATOM 990 C ARG A 76 60.747 32.966-135.427 1.00 0.28 C ATOM 991 O ARG A 76 61.243 32.512-134.414 1.00 0.30 O ATOM 992 CB ARG A 76 61.643 32.205-137.632 1.00 0.35 C ATOM 993 CG ARG A 76 62.966 31.912-136.920 1.00 0.66 C ATOM 994 CD ARG A 76 64.122 32.049-137.911 1.00 1.00 C ATOM 995 NE ARG A 76 64.811 33.352-137.693 1.00 1.51 N ATOM 996 CZ ARG A 76 65.992 33.560-138.207 1.00 2.03 C ATOM 997 NH1 ARG A 76 66.570 32.626-138.913 1.00 2.34 N ATOM 998 NH2 ARG A 76 66.597 34.700-138.015 1.00 3.14 N ATOM 0 H ARG A 76 59.250 32.572-138.301 1.00 0.28 H new ATOM 0 HA ARG A 76 60.411 31.039-136.317 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.502 31.510-138.460 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.662 33.208-138.058 1.00 0.35 H new ATOM 0 HG2 ARG A 76 63.103 32.602-136.088 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.950 30.906-136.501 1.00 0.66 H new ATOM 0 HD2 ARG A 76 64.826 31.227-137.781 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.748 31.990-138.933 1.00 1.00 H new ATOM 0 HE ARG A 76 64.359 34.082-137.142 1.00 1.51 H new ATOM 0 HH11 ARG A 76 66.098 31.734-139.063 1.00 2.34 H new ATOM 0 HH12 ARG A 76 67.493 32.788-139.315 1.00 2.34 H new ATOM 0 HH21 ARG A 76 66.147 35.430-137.463 1.00 3.14 H new ATOM 0 HH22 ARG A 76 67.520 34.861-138.417 1.00 3.14 H new ATOM 1012 N LEU A 77 60.388 34.219-135.491 1.00 0.30 N ATOM 1013 CA LEU A 77 60.599 35.088-134.299 1.00 0.31 C ATOM 1014 C LEU A 77 59.638 34.639-133.198 1.00 0.29 C ATOM 1015 O LEU A 77 60.042 34.262-132.118 1.00 0.30 O ATOM 1016 CB LEU A 77 60.317 36.547-134.662 1.00 0.35 C ATOM 1017 CG LEU A 77 61.586 37.205-135.209 1.00 0.41 C ATOM 1018 CD1 LEU A 77 62.398 36.197-136.024 1.00 0.51 C ATOM 1019 CD2 LEU A 77 61.200 38.380-136.105 1.00 0.38 C ATOM 0 H LEU A 77 59.965 34.672-136.301 1.00 0.30 H new ATOM 0 HA LEU A 77 61.630 35.005-133.956 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.522 36.598-135.405 1.00 0.35 H new ATOM 0 HB3 LEU A 77 59.967 37.088-133.783 1.00 0.35 H new ATOM 0 HG LEU A 77 62.191 37.556-134.373 1.00 0.41 H new ATOM 0 HD11 LEU A 77 63.298 36.679-136.407 1.00 0.51 H new ATOM 0 HD12 LEU A 77 62.679 35.357-135.388 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.797 35.836-136.858 1.00 0.51 H new ATOM 0 HD21 LEU A 77 62.102 38.851-136.496 1.00 0.38 H new ATOM 0 HD22 LEU A 77 60.590 38.021-136.934 1.00 0.38 H new ATOM 0 HD23 LEU A 77 60.633 39.108-135.526 1.00 0.38 H new ATOM 1031 N ILE A 78 58.367 34.670-133.478 1.00 0.29 N ATOM 1032 CA ILE A 78 57.354 34.241-132.479 1.00 0.32 C ATOM 1033 C ILE A 78 57.771 32.907-131.871 1.00 0.30 C ATOM 1034 O ILE A 78 57.750 32.730-130.674 1.00 0.32 O ATOM 1035 CB ILE A 78 56.008 34.078-133.169 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.547 35.443-133.661 1.00 0.38 C ATOM 1037 CG2 ILE A 78 54.986 33.516-132.178 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.538 35.256-134.785 1.00 0.37 C ATOM 0 H ILE A 78 57.982 34.979-134.371 1.00 0.29 H new ATOM 0 HA ILE A 78 57.278 34.992-131.692 1.00 0.32 H new ATOM 0 HB ILE A 78 56.101 33.390-134.010 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.097 36.005-132.842 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.400 36.022-134.015 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.023 33.400-132.675 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.326 32.546-131.815 1.00 0.45 H new ATOM 0 HG23 ILE A 78 54.880 34.201-131.337 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.205 36.231-135.141 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.004 34.710-135.605 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.681 34.693-134.415 1.00 0.37 H new ATOM 1050 N ARG A 79 58.155 31.966-132.687 1.00 0.29 N ATOM 1051 CA ARG A 79 58.583 30.644-132.138 1.00 0.32 C ATOM 1052 C ARG A 79 59.845 30.841-131.294 1.00 0.26 C ATOM 1053 O ARG A 79 60.011 30.220-130.263 1.00 0.26 O ATOM 1054 CB ARG A 79 58.876 29.680-133.290 1.00 0.38 C ATOM 1055 CG ARG A 79 59.898 28.634-132.837 1.00 0.39 C ATOM 1056 CD ARG A 79 60.043 27.561-133.917 1.00 0.39 C ATOM 1057 NE ARG A 79 59.164 26.404-133.591 1.00 1.50 N ATOM 1058 CZ ARG A 79 58.894 25.511-134.503 1.00 2.14 C ATOM 1059 NH1 ARG A 79 59.396 25.631-135.701 1.00 2.28 N ATOM 1060 NH2 ARG A 79 58.125 24.497-134.216 1.00 3.27 N ATOM 0 H ARG A 79 58.192 32.051-133.703 1.00 0.29 H new ATOM 0 HA ARG A 79 57.789 30.226-131.519 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.957 29.190-133.610 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.260 30.230-134.149 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.861 29.109-132.649 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.578 28.180-131.899 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.775 27.972-134.890 1.00 0.39 H new ATOM 0 HD3 ARG A 79 61.081 27.235-133.983 1.00 0.39 H new ATOM 0 HE ARG A 79 58.773 26.310-132.654 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.999 26.423-135.924 1.00 2.28 H new ATOM 0 HH12 ARG A 79 59.185 24.933-136.414 1.00 2.28 H new ATOM 0 HH21 ARG A 79 57.735 24.402-133.278 1.00 3.27 H new ATOM 0 HH22 ARG A 79 57.914 23.799-134.929 1.00 3.27 H new ATOM 1074 N ASN A 80 60.730 31.705-131.712 1.00 0.23 N ATOM 1075 CA ASN A 80 61.969 31.940-130.915 1.00 0.21 C ATOM 1076 C ASN A 80 61.596 32.677-129.633 1.00 0.21 C ATOM 1077 O ASN A 80 62.259 32.557-128.622 1.00 0.22 O ATOM 1078 CB ASN A 80 62.959 32.777-131.727 1.00 0.23 C ATOM 1079 CG ASN A 80 63.275 32.060-133.042 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.712 32.678-133.993 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.075 30.774-133.135 1.00 1.15 N ATOM 0 H ASN A 80 60.650 32.256-132.567 1.00 0.23 H new ATOM 0 HA ASN A 80 62.437 30.986-130.670 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.539 33.762-131.929 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.874 32.932-131.156 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.285 30.287-134.006 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.708 30.256-132.337 1.00 1.15 H new ATOM 1088 N LEU A 81 60.499 33.381-129.643 1.00 0.23 N ATOM 1089 CA LEU A 81 60.053 34.056-128.401 1.00 0.28 C ATOM 1090 C LEU A 81 59.427 32.964-127.555 1.00 0.30 C ATOM 1091 O LEU A 81 59.763 32.760-126.407 1.00 0.31 O ATOM 1092 CB LEU A 81 59.010 35.129-128.727 1.00 0.35 C ATOM 1093 CG LEU A 81 59.712 36.383-129.251 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.689 37.298-129.926 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.365 37.126-128.084 1.00 1.26 C ATOM 0 H LEU A 81 59.897 33.516-130.455 1.00 0.23 H new ATOM 0 HA LEU A 81 60.878 34.550-127.888 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.308 34.754-129.472 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.430 35.370-127.836 1.00 0.35 H new ATOM 0 HG LEU A 81 60.475 36.095-129.974 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.190 38.191-130.299 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.222 36.770-130.757 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.925 37.585-129.203 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.866 38.020-128.456 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.601 37.412-127.362 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.095 36.476-127.601 1.00 1.26 H new ATOM 1107 N ASN A 82 58.538 32.231-128.156 1.00 0.35 N ATOM 1108 CA ASN A 82 57.891 31.101-127.459 1.00 0.42 C ATOM 1109 C ASN A 82 58.980 30.268-126.797 1.00 0.37 C ATOM 1110 O ASN A 82 59.021 30.130-125.591 1.00 0.38 O ATOM 1111 CB ASN A 82 57.136 30.271-128.503 1.00 0.51 C ATOM 1112 CG ASN A 82 55.724 30.831-128.680 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.995 30.988-127.721 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.305 31.142-129.876 1.00 0.98 N ATOM 0 H ASN A 82 58.230 32.373-129.118 1.00 0.35 H new ATOM 0 HA ASN A 82 57.191 31.444-126.698 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.668 30.293-129.454 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.088 29.229-128.188 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.365 31.517-130.006 1.00 0.98 H new ATOM 0 HD22 ASN A 82 55.917 31.010-130.681 1.00 0.98 H new ATOM 1121 N VAL A 83 59.878 29.726-127.569 1.00 0.35 N ATOM 1122 CA VAL A 83 60.975 28.925-126.970 1.00 0.36 C ATOM 1123 C VAL A 83 61.620 29.752-125.860 1.00 0.32 C ATOM 1124 O VAL A 83 61.756 29.306-124.745 1.00 0.35 O ATOM 1125 CB VAL A 83 62.019 28.603-128.040 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.948 27.498-127.534 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.316 28.132-129.316 1.00 0.44 C ATOM 0 H VAL A 83 59.899 29.804-128.586 1.00 0.35 H new ATOM 0 HA VAL A 83 60.582 27.992-126.567 1.00 0.36 H new ATOM 0 HB VAL A 83 62.603 29.498-128.255 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.691 27.270-128.298 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.451 27.833-126.627 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.365 26.603-127.317 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.061 27.903-130.078 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.731 27.238-129.100 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.656 28.919-129.679 1.00 0.44 H new ATOM 1137 N ILE A 84 62.019 30.957-126.163 1.00 0.27 N ATOM 1138 CA ILE A 84 62.652 31.793-125.111 1.00 0.30 C ATOM 1139 C ILE A 84 61.834 31.657-123.830 1.00 0.31 C ATOM 1140 O ILE A 84 62.350 31.324-122.780 1.00 0.37 O ATOM 1141 CB ILE A 84 62.673 33.253-125.536 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.821 33.470-126.515 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.883 34.135-124.303 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.527 34.704-127.356 1.00 0.37 C ATOM 0 H ILE A 84 61.935 31.392-127.082 1.00 0.27 H new ATOM 0 HA ILE A 84 63.677 31.460-124.951 1.00 0.30 H new ATOM 0 HB ILE A 84 61.728 33.513-126.013 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.759 33.598-125.974 1.00 0.37 H new ATOM 0 HG13 ILE A 84 63.939 32.597-127.156 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.899 35.183-124.603 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.069 33.972-123.596 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.831 33.879-123.830 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.343 34.868-128.060 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.598 34.556-127.906 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.429 35.573-126.705 1.00 0.37 H new ATOM 1156 N LEU A 85 60.556 31.911-123.909 1.00 0.35 N ATOM 1157 CA LEU A 85 59.702 31.797-122.692 1.00 0.42 C ATOM 1158 C LEU A 85 59.753 30.364-122.170 1.00 0.42 C ATOM 1159 O LEU A 85 60.142 30.116-121.051 1.00 0.47 O ATOM 1160 CB LEU A 85 58.259 32.162-123.044 1.00 0.54 C ATOM 1161 CG LEU A 85 58.072 33.674-122.909 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.134 34.063-121.432 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.185 34.396-123.671 1.00 0.61 C ATOM 0 H LEU A 85 60.068 32.191-124.760 1.00 0.35 H new ATOM 0 HA LEU A 85 60.070 32.477-121.924 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.030 31.845-124.061 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.568 31.638-122.384 1.00 0.54 H new ATOM 0 HG LEU A 85 57.104 33.959-123.322 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.001 35.140-121.334 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.343 33.548-120.887 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.103 33.778-121.021 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.052 35.474-123.575 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.153 34.112-123.258 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.145 34.118-124.724 1.00 0.61 H new ATOM 1175 N ALA A 86 59.372 29.419-122.978 1.00 0.47 N ATOM 1176 CA ALA A 86 59.410 27.998-122.536 1.00 0.58 C ATOM 1177 C ALA A 86 60.798 27.682-121.977 1.00 0.59 C ATOM 1178 O ALA A 86 61.001 26.690-121.304 1.00 0.73 O ATOM 1179 CB ALA A 86 59.128 27.096-123.738 1.00 0.64 C ATOM 0 H ALA A 86 59.035 29.568-123.929 1.00 0.47 H new ATOM 0 HA ALA A 86 58.659 27.828-121.764 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.154 26.053-123.424 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.144 27.328-124.144 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.885 27.263-124.504 1.00 0.64 H new ATOM 1185 N LYS A 87 61.759 28.508-122.279 1.00 0.50 N ATOM 1186 CA LYS A 87 63.149 28.262-121.805 1.00 0.60 C ATOM 1187 C LYS A 87 63.340 28.810-120.397 1.00 0.58 C ATOM 1188 O LYS A 87 63.841 28.133-119.521 1.00 0.71 O ATOM 1189 CB LYS A 87 64.117 28.972-122.743 1.00 0.61 C ATOM 1190 CG LYS A 87 65.484 28.286-122.689 1.00 0.82 C ATOM 1191 CD LYS A 87 66.524 29.162-123.390 1.00 0.99 C ATOM 1192 CE LYS A 87 67.885 28.977-122.718 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.304 27.551-122.828 1.00 2.02 N ATOM 0 H LYS A 87 61.640 29.352-122.840 1.00 0.50 H new ATOM 0 HA LYS A 87 63.336 27.188-121.795 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.730 28.954-123.762 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.213 30.019-122.457 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.776 28.115-121.653 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.432 27.310-123.171 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.588 28.895-124.445 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.223 30.209-123.344 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.626 29.622-123.190 1.00 1.63 H new ATOM 0 HE3 LYS A 87 67.828 29.270-121.670 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.309 27.464-122.575 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.732 26.970-122.182 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.163 27.222-123.805 1.00 2.02 H new ATOM 1207 N TYR A 88 62.951 30.030-120.164 1.00 0.45 N ATOM 1208 CA TYR A 88 63.124 30.605-118.804 1.00 0.47 C ATOM 1209 C TYR A 88 61.967 30.152-117.925 1.00 0.54 C ATOM 1210 O TYR A 88 62.025 30.212-116.713 1.00 0.58 O ATOM 1211 CB TYR A 88 63.143 32.132-118.891 1.00 0.44 C ATOM 1212 CG TYR A 88 64.410 32.573-119.583 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.589 32.738-118.847 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.407 32.810-120.963 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.765 33.141-119.490 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.584 33.213-121.605 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.762 33.379-120.870 1.00 0.61 C ATOM 1218 OH TYR A 88 67.920 33.775-121.504 1.00 0.73 O ATOM 0 H TYR A 88 62.523 30.651-120.851 1.00 0.45 H new ATOM 0 HA TYR A 88 64.066 30.263-118.375 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.271 32.488-119.440 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.090 32.566-117.893 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.591 32.554-117.783 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.498 32.682-121.532 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.675 33.268-118.922 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.582 33.396-122.669 1.00 0.62 H new ATOM 0 HH TYR A 88 67.846 33.592-122.464 1.00 0.73 H new ATOM 1228 N GLY A 89 60.905 29.729-118.537 1.00 0.59 N ATOM 1229 CA GLY A 89 59.723 29.304-117.739 1.00 0.69 C ATOM 1230 C GLY A 89 58.933 30.558-117.380 1.00 0.77 C ATOM 1231 O GLY A 89 58.492 30.738-116.262 1.00 1.09 O ATOM 0 H GLY A 89 60.800 29.658-119.549 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.104 28.612-118.310 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.039 28.779-116.837 1.00 0.69 H new ATOM 1235 N LEU A 90 58.749 31.424-118.336 1.00 0.65 N ATOM 1236 CA LEU A 90 57.984 32.675-118.086 1.00 0.75 C ATOM 1237 C LEU A 90 56.734 32.689-118.969 1.00 0.80 C ATOM 1238 O LEU A 90 56.051 33.687-119.080 1.00 1.31 O ATOM 1239 CB LEU A 90 58.861 33.876-118.432 1.00 0.82 C ATOM 1240 CG LEU A 90 59.215 34.635-117.156 1.00 1.03 C ATOM 1241 CD1 LEU A 90 60.483 35.455-117.389 1.00 1.50 C ATOM 1242 CD2 LEU A 90 58.059 35.567-116.791 1.00 1.68 C ATOM 0 H LEU A 90 59.099 31.317-119.288 1.00 0.65 H new ATOM 0 HA LEU A 90 57.691 32.724-117.037 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.770 33.543-118.933 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.337 34.534-119.125 1.00 0.82 H new ATOM 0 HG LEU A 90 59.387 33.931-116.342 1.00 1.03 H new ATOM 0 HD11 LEU A 90 60.738 35.998-116.479 1.00 1.50 H new ATOM 0 HD12 LEU A 90 61.303 34.789-117.656 1.00 1.50 H new ATOM 0 HD13 LEU A 90 60.314 36.164-118.199 1.00 1.50 H new ATOM 0 HD21 LEU A 90 58.305 36.113-115.880 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.891 36.274-117.603 1.00 1.68 H new ATOM 0 HD23 LEU A 90 57.155 34.980-116.629 1.00 1.68 H new ATOM 1254 N ASP A 91 56.434 31.588-119.601 1.00 0.77 N ATOM 1255 CA ASP A 91 55.233 31.536-120.483 1.00 0.87 C ATOM 1256 C ASP A 91 53.998 31.988-119.701 1.00 1.30 C ATOM 1257 O ASP A 91 52.932 32.165-120.257 1.00 1.70 O ATOM 1258 CB ASP A 91 55.026 30.103-120.977 1.00 1.04 C ATOM 1259 CG ASP A 91 56.356 29.536-121.477 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.380 29.912-120.929 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.329 28.737-122.397 1.00 0.84 O ATOM 0 H ASP A 91 56.969 30.721-119.545 1.00 0.77 H new ATOM 0 HA ASP A 91 55.383 32.199-121.335 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.635 29.483-120.171 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.288 30.087-121.779 1.00 1.04 H new ATOM 1266 N GLY A 92 54.129 32.180-118.416 1.00 1.77 N ATOM 1267 CA GLY A 92 52.956 32.621-117.608 1.00 2.22 C ATOM 1268 C GLY A 92 52.540 34.028-118.040 1.00 2.72 C ATOM 1269 O GLY A 92 52.408 34.924-117.229 1.00 3.30 O ATOM 0 H GLY A 92 54.995 32.051-117.892 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.126 31.927-117.743 1.00 2.22 H new ATOM 0 HA3 GLY A 92 53.208 32.614-116.548 1.00 2.22 H new ATOM 1273 N LYS A 93 52.334 34.231-119.313 1.00 3.13 N ATOM 1274 CA LYS A 93 51.929 35.580-119.796 1.00 3.96 C ATOM 1275 C LYS A 93 50.475 35.853-119.402 1.00 4.22 C ATOM 1276 O LYS A 93 49.929 36.896-119.698 1.00 4.63 O ATOM 1277 CB LYS A 93 52.062 35.637-121.320 1.00 4.60 C ATOM 1278 CG LYS A 93 53.518 35.380-121.716 1.00 4.79 C ATOM 1279 CD LYS A 93 53.560 34.642-123.055 1.00 5.91 C ATOM 1280 CE LYS A 93 54.765 35.125-123.866 1.00 6.60 C ATOM 1281 NZ LYS A 93 54.344 36.237-124.765 1.00 6.86 N ATOM 0 H LYS A 93 52.429 33.520-120.039 1.00 3.13 H new ATOM 0 HA LYS A 93 52.574 36.334-119.344 1.00 3.96 H new ATOM 0 HB2 LYS A 93 51.412 34.893-121.780 1.00 4.60 H new ATOM 0 HB3 LYS A 93 51.741 36.612-121.687 1.00 4.60 H new ATOM 0 HG2 LYS A 93 54.057 36.324-121.792 1.00 4.79 H new ATOM 0 HG3 LYS A 93 54.016 34.789-120.947 1.00 4.79 H new ATOM 0 HD2 LYS A 93 53.628 33.567-122.888 1.00 5.91 H new ATOM 0 HD3 LYS A 93 52.639 34.821-123.610 1.00 5.91 H new ATOM 0 HE2 LYS A 93 55.556 35.464-123.196 1.00 6.60 H new ATOM 0 HE3 LYS A 93 55.175 34.303-124.453 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 55.158 36.555-125.329 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 53.591 35.904-125.401 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 53.988 37.030-124.193 1.00 6.86 H new ATOM 1295 N LYS A 94 49.845 34.924-118.735 1.00 4.52 N ATOM 1296 CA LYS A 94 48.428 35.134-118.323 1.00 5.25 C ATOM 1297 C LYS A 94 47.948 33.923-117.523 1.00 5.64 C ATOM 1298 O LYS A 94 47.743 33.998-116.328 1.00 6.30 O ATOM 1299 CB LYS A 94 47.554 35.303-119.567 1.00 6.00 C ATOM 1300 CG LYS A 94 46.313 36.124-119.212 1.00 6.18 C ATOM 1301 CD LYS A 94 45.216 35.866-120.248 1.00 7.02 C ATOM 1302 CE LYS A 94 43.951 36.632-119.852 1.00 7.55 C ATOM 1303 NZ LYS A 94 43.031 35.721-119.115 1.00 7.75 N ATOM 0 H LYS A 94 50.250 34.030-118.458 1.00 4.52 H new ATOM 0 HA LYS A 94 48.357 36.030-117.706 1.00 5.25 H new ATOM 0 HB2 LYS A 94 48.118 35.800-120.356 1.00 6.00 H new ATOM 0 HB3 LYS A 94 47.259 34.327-119.953 1.00 6.00 H new ATOM 0 HG2 LYS A 94 45.959 35.855-118.217 1.00 6.18 H new ATOM 0 HG3 LYS A 94 46.561 37.185-119.186 1.00 6.18 H new ATOM 0 HD2 LYS A 94 45.552 36.182-121.236 1.00 7.02 H new ATOM 0 HD3 LYS A 94 45.003 34.799-120.310 1.00 7.02 H new ATOM 0 HE2 LYS A 94 44.211 37.487-119.228 1.00 7.55 H new ATOM 0 HE3 LYS A 94 43.457 37.024-120.741 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 42.171 36.240-118.845 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 42.774 34.919-119.725 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 43.505 35.367-118.259 1.00 7.75 H new ATOM 1317 N ASP A 95 47.772 32.803-118.173 1.00 5.55 N ATOM 1318 CA ASP A 95 47.310 31.584-117.450 1.00 6.18 C ATOM 1319 C ASP A 95 46.690 30.594-118.439 1.00 6.72 C ATOM 1320 O ASP A 95 45.615 30.075-118.215 1.00 7.02 O ATOM 1321 CB ASP A 95 46.261 31.969-116.403 1.00 6.12 C ATOM 1322 CG ASP A 95 45.384 33.098-116.948 1.00 6.05 C ATOM 1323 OD1 ASP A 95 45.613 33.511-118.073 1.00 6.23 O ATOM 1324 OD2 ASP A 95 44.493 33.527-116.232 1.00 6.22 O ATOM 0 H ASP A 95 47.928 32.681-119.173 1.00 5.55 H new ATOM 0 HA ASP A 95 48.166 31.121-116.959 1.00 6.18 H new ATOM 0 HB2 ASP A 95 45.646 31.104-116.155 1.00 6.12 H new ATOM 0 HB3 ASP A 95 46.751 32.287-115.482 1.00 6.12 H new ATOM 1329 N ALA A 96 47.353 30.330-119.533 1.00 7.12 N ATOM 1330 CA ALA A 96 46.792 29.373-120.529 1.00 7.86 C ATOM 1331 C ALA A 96 46.381 28.080-119.822 1.00 8.30 C ATOM 1332 O ALA A 96 46.167 28.056-118.626 1.00 8.93 O ATOM 1333 CB ALA A 96 47.853 29.059-121.587 1.00 8.22 C ATOM 0 H ALA A 96 48.256 30.735-119.779 1.00 7.12 H new ATOM 0 HA ALA A 96 45.920 29.818-121.007 1.00 7.86 H new ATOM 0 HB1 ALA A 96 47.444 28.359-122.316 1.00 8.22 H new ATOM 0 HB2 ALA A 96 48.146 29.979-122.092 1.00 8.22 H new ATOM 0 HB3 ALA A 96 48.725 28.615-121.107 1.00 8.22 H new ATOM 1339 N ARG A 97 46.269 27.001-120.547 1.00 8.23 N ATOM 1340 CA ARG A 97 45.872 25.714-119.908 1.00 8.95 C ATOM 1341 C ARG A 97 46.086 24.566-120.896 1.00 9.53 C ATOM 1342 O ARG A 97 45.991 24.740-122.095 1.00 9.76 O ATOM 1343 CB ARG A 97 44.396 25.776-119.512 1.00 8.85 C ATOM 1344 CG ARG A 97 43.534 25.923-120.768 1.00 8.58 C ATOM 1345 CD ARG A 97 42.057 25.835-120.385 1.00 8.65 C ATOM 1346 NE ARG A 97 41.351 24.901-121.312 1.00 9.34 N ATOM 1347 CZ ARG A 97 41.611 24.913-122.594 1.00 9.46 C ATOM 1348 NH1 ARG A 97 42.446 25.785-123.087 1.00 9.01 N ATOM 1349 NH2 ARG A 97 41.018 24.061-123.385 1.00 10.30 N ATOM 0 H ARG A 97 46.435 26.955-121.552 1.00 8.23 H new ATOM 0 HA ARG A 97 46.481 25.547-119.019 1.00 8.95 H new ATOM 0 HB2 ARG A 97 44.116 24.873-118.970 1.00 8.85 H new ATOM 0 HB3 ARG A 97 44.224 26.617-118.840 1.00 8.85 H new ATOM 0 HG2 ARG A 97 43.739 26.877-121.253 1.00 8.58 H new ATOM 0 HG3 ARG A 97 43.782 25.141-121.486 1.00 8.58 H new ATOM 0 HD2 ARG A 97 41.958 25.486-119.357 1.00 8.65 H new ATOM 0 HD3 ARG A 97 41.600 26.823-120.432 1.00 8.65 H new ATOM 0 HE ARG A 97 40.660 24.248-120.942 1.00 9.34 H new ATOM 0 HH11 ARG A 97 42.899 26.461-122.472 1.00 9.01 H new ATOM 0 HH12 ARG A 97 42.646 25.791-124.087 1.00 9.01 H new ATOM 0 HH21 ARG A 97 40.354 23.388-123.003 1.00 10.30 H new ATOM 0 HH22 ARG A 97 41.219 24.068-124.385 1.00 10.30 H new ATOM 1363 N GLN A 98 46.375 23.393-120.402 1.00 9.97 N ATOM 1364 CA GLN A 98 46.596 22.235-121.314 1.00 10.76 C ATOM 1365 C GLN A 98 45.609 22.310-122.481 1.00 10.99 C ATOM 1366 O GLN A 98 44.600 22.981-122.336 1.00 11.00 O ATOM 1367 CB GLN A 98 46.376 20.931-120.544 1.00 11.07 C ATOM 1368 CG GLN A 98 44.910 20.829-120.120 1.00 11.38 C ATOM 1369 CD GLN A 98 44.689 19.524-119.352 1.00 11.58 C ATOM 1370 OE1 GLN A 98 45.635 18.883-118.937 1.00 11.67 O ATOM 1371 NE2 GLN A 98 43.473 19.100-119.146 1.00 11.85 N ATOM 0 H GLN A 98 46.468 23.187-119.407 1.00 9.97 H new ATOM 0 HA GLN A 98 47.616 22.264-121.698 1.00 10.76 H new ATOM 0 HB2 GLN A 98 46.645 20.078-121.167 1.00 11.07 H new ATOM 0 HB3 GLN A 98 47.022 20.901-119.667 1.00 11.07 H new ATOM 0 HG2 GLN A 98 44.641 21.681-119.495 1.00 11.38 H new ATOM 0 HG3 GLN A 98 44.264 20.861-120.997 1.00 11.38 H new ATOM 0 HE21 GLN A 98 42.679 19.638-119.494 1.00 11.85 H new ATOM 0 HE22 GLN A 98 43.316 18.230-118.637 1.00 11.85 H new TER 1380 GLN A 98