USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 628 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 22 MET CE :methyl 151:sc= -2.38 (180deg=-1.09) USER MOD Set 1.2: A 24 LYS NZ :NH3+ 150:sc= -2.35 (180deg=-3.82!) USER MOD Single : A 26 ASN : amide:sc= -4.22! C(o=-4.2!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.0322 (180deg=-0.353) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.376 F(o=-1.6,f=-0.38) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -1.13 F(o=-4.7,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -14.2! C(o=-14!,f=-19!) USER MOD Single : A 60 LYS NZ :NH3+ -109:sc= -1.97 (180deg=-3.58!) USER MOD Single : A 61 LYS NZ :NH3+ -126:sc= -0.274 (180deg=-1.17) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -153:sc= -2.53 (180deg=-4.32!) USER MOD Single : A 80 ASN : amide:sc= -6.03! C(o=-6!,f=-11!) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 152:sc= -4.71! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.519 50.245-123.833 1.00 0.57 N ATOM 24 CA GLU A 19 64.560 49.201-124.077 1.00 0.55 C ATOM 25 C GLU A 19 64.512 48.792-125.554 1.00 0.56 C ATOM 26 O GLU A 19 65.468 48.953-126.285 1.00 0.63 O ATOM 27 CB GLU A 19 64.317 47.983-123.172 1.00 0.45 C ATOM 28 CG GLU A 19 62.876 47.484-123.311 1.00 0.38 C ATOM 29 CD GLU A 19 61.900 48.641-123.089 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.153 49.443-122.205 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.915 48.704-123.806 1.00 2.06 O ATOM 0 HA GLU A 19 65.546 49.602-123.842 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.011 47.184-123.435 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.516 48.249-122.134 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.725 47.054-124.301 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.685 46.692-122.587 1.00 0.38 H new ATOM 38 N PHE A 20 63.393 48.295-126.001 1.00 0.51 N ATOM 39 CA PHE A 20 63.256 47.906-127.438 1.00 0.54 C ATOM 40 C PHE A 20 62.215 48.818-128.080 1.00 0.55 C ATOM 41 O PHE A 20 61.832 49.819-127.509 1.00 0.57 O ATOM 42 CB PHE A 20 62.785 46.457-127.543 1.00 0.52 C ATOM 43 CG PHE A 20 63.641 45.587-126.662 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.978 45.350-126.998 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.097 45.026-125.507 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.772 44.545-126.173 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.889 44.222-124.678 1.00 0.51 C ATOM 48 CZ PHE A 20 65.228 43.981-125.011 1.00 0.56 C ATOM 0 H PHE A 20 62.561 48.139-125.432 1.00 0.51 H new ATOM 0 HA PHE A 20 64.217 48.003-127.942 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.740 46.380-127.243 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.846 46.118-128.577 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.397 45.787-127.892 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.064 45.212-125.252 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.804 44.358-126.432 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.468 43.788-123.783 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.841 43.361-124.373 1.00 0.56 H new ATOM 58 N ARG A 21 61.731 48.495-129.247 1.00 0.57 N ATOM 59 CA ARG A 21 60.703 49.362-129.883 1.00 0.60 C ATOM 60 C ARG A 21 59.499 48.490-130.230 1.00 0.57 C ATOM 61 O ARG A 21 58.545 48.928-130.840 1.00 0.59 O ATOM 62 CB ARG A 21 61.273 49.968-131.163 1.00 0.69 C ATOM 63 CG ARG A 21 62.535 50.768-130.832 1.00 0.74 C ATOM 64 CD ARG A 21 63.253 51.148-132.129 1.00 0.82 C ATOM 65 NE ARG A 21 64.420 52.019-131.813 1.00 1.35 N ATOM 66 CZ ARG A 21 65.345 52.222-132.711 1.00 1.78 C ATOM 67 NH1 ARG A 21 65.248 51.661-133.885 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.366 52.985-132.435 1.00 2.72 N ATOM 0 H ARG A 21 62.002 47.672-129.785 1.00 0.57 H new ATOM 0 HA ARG A 21 60.411 50.165-129.206 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.507 49.180-131.878 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.532 50.615-131.633 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.273 51.666-130.272 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.196 50.178-130.197 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.586 50.250-132.650 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.568 51.668-132.798 1.00 0.82 H new ATOM 0 HE ARG A 21 64.496 52.457-130.895 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.449 51.064-134.101 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.971 51.819-134.587 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.442 53.423-131.517 1.00 2.72 H new ATOM 0 HH22 ARG A 21 67.089 53.143-133.137 1.00 2.72 H new ATOM 82 N MET A 22 59.547 47.253-129.825 1.00 0.54 N ATOM 83 CA MET A 22 58.420 46.320-130.101 1.00 0.55 C ATOM 84 C MET A 22 57.600 46.150-128.825 1.00 0.49 C ATOM 85 O MET A 22 58.130 45.870-127.769 1.00 0.63 O ATOM 86 CB MET A 22 58.971 44.961-130.539 1.00 0.61 C ATOM 87 CG MET A 22 59.218 44.972-132.048 1.00 0.71 C ATOM 88 SD MET A 22 57.637 44.837-132.919 1.00 1.14 S ATOM 89 CE MET A 22 58.042 43.372-133.902 1.00 1.25 C ATOM 0 H MET A 22 60.326 46.844-129.309 1.00 0.54 H new ATOM 0 HA MET A 22 57.793 46.723-130.896 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.899 44.745-130.010 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.266 44.171-130.281 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.727 45.891-132.337 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.871 44.145-132.327 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.131 42.810-134.110 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.501 43.680-134.841 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.738 42.743-133.347 1.00 1.25 H new ATOM 99 N GLU A 23 56.313 46.326-128.906 1.00 0.47 N ATOM 100 CA GLU A 23 55.469 46.184-127.689 1.00 0.46 C ATOM 101 C GLU A 23 55.632 44.783-127.101 1.00 0.50 C ATOM 102 O GLU A 23 55.744 44.618-125.903 1.00 0.50 O ATOM 103 CB GLU A 23 54.001 46.421-128.051 1.00 0.50 C ATOM 104 CG GLU A 23 53.805 47.880-128.469 1.00 1.45 C ATOM 105 CD GLU A 23 52.318 48.148-128.702 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.534 47.230-128.523 1.00 2.48 O ATOM 107 OE2 GLU A 23 51.987 49.268-129.055 1.00 2.68 O ATOM 0 H GLU A 23 55.809 46.562-129.761 1.00 0.47 H new ATOM 0 HA GLU A 23 55.784 46.920-126.949 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.704 45.757-128.862 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.363 46.188-127.198 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.189 48.546-127.696 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.370 48.088-129.378 1.00 1.45 H new ATOM 114 N LYS A 24 55.642 43.768-127.920 1.00 0.54 N ATOM 115 CA LYS A 24 55.794 42.391-127.377 1.00 0.59 C ATOM 116 C LYS A 24 57.043 42.324-126.500 1.00 0.53 C ATOM 117 O LYS A 24 56.994 41.879-125.371 1.00 0.55 O ATOM 118 CB LYS A 24 55.909 41.389-128.529 1.00 0.67 C ATOM 119 CG LYS A 24 57.347 41.359-129.050 1.00 0.64 C ATOM 120 CD LYS A 24 57.407 40.531-130.334 1.00 0.77 C ATOM 121 CE LYS A 24 56.879 41.363-131.505 1.00 1.46 C ATOM 122 NZ LYS A 24 57.207 40.680-132.788 1.00 2.09 N ATOM 0 H LYS A 24 55.552 43.832-128.934 1.00 0.54 H new ATOM 0 HA LYS A 24 54.920 42.140-126.776 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.615 40.396-128.190 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.227 41.666-129.333 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.697 42.373-129.242 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.009 40.931-128.297 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.433 40.218-130.530 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.813 39.624-130.222 1.00 0.77 H new ATOM 0 HE2 LYS A 24 55.801 41.493-131.415 1.00 1.46 H new ATOM 0 HE3 LYS A 24 57.323 42.358-131.487 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.481 40.906-133.497 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 58.135 41.005-133.127 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 57.234 39.651-132.637 1.00 2.09 H new ATOM 136 N LEU A 25 58.164 42.757-127.005 1.00 0.47 N ATOM 137 CA LEU A 25 59.414 42.712-126.200 1.00 0.42 C ATOM 138 C LEU A 25 59.253 43.569-124.946 1.00 0.39 C ATOM 139 O LEU A 25 59.450 43.113-123.845 1.00 0.55 O ATOM 140 CB LEU A 25 60.567 43.270-127.036 1.00 0.43 C ATOM 141 CG LEU A 25 61.188 42.161-127.883 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.259 42.618-129.343 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.601 41.873-127.372 1.00 1.03 C ATOM 0 H LEU A 25 58.268 43.141-127.944 1.00 0.47 H new ATOM 0 HA LEU A 25 59.621 41.681-125.912 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.204 44.071-127.681 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.323 43.705-126.382 1.00 0.43 H new ATOM 0 HG LEU A 25 60.580 41.259-127.813 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.702 41.829-129.950 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.254 42.834-129.706 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.872 43.517-129.414 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.051 41.082-127.972 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.207 42.776-127.449 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.554 41.556-126.330 1.00 1.03 H new ATOM 155 N ASN A 26 58.901 44.810-125.112 1.00 0.39 N ATOM 156 CA ASN A 26 58.737 45.684-123.915 1.00 0.37 C ATOM 157 C ASN A 26 57.841 44.951-122.920 1.00 0.40 C ATOM 158 O ASN A 26 58.213 44.689-121.793 1.00 0.40 O ATOM 159 CB ASN A 26 58.088 47.011-124.303 1.00 0.41 C ATOM 160 CG ASN A 26 58.716 47.531-125.597 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.435 46.817-126.266 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.473 48.755-125.979 1.00 0.45 N ATOM 0 H ASN A 26 58.721 45.256-126.012 1.00 0.39 H new ATOM 0 HA ASN A 26 59.712 45.897-123.477 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.015 46.877-124.436 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.221 47.740-123.504 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.887 49.112-126.840 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.869 49.354-125.417 1.00 0.45 H new ATOM 169 N GLN A 27 56.660 44.622-123.347 1.00 0.44 N ATOM 170 CA GLN A 27 55.713 43.904-122.456 1.00 0.50 C ATOM 171 C GLN A 27 56.451 42.760-121.762 1.00 0.47 C ATOM 172 O GLN A 27 56.425 42.630-120.551 1.00 0.48 O ATOM 173 CB GLN A 27 54.557 43.340-123.285 1.00 0.59 C ATOM 174 CG GLN A 27 53.577 44.465-123.626 1.00 0.58 C ATOM 175 CD GLN A 27 52.681 44.745-122.418 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.719 44.027-121.439 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.872 45.768-122.445 1.00 2.02 N ATOM 0 H GLN A 27 56.306 44.821-124.283 1.00 0.44 H new ATOM 0 HA GLN A 27 55.317 44.592-121.710 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.939 42.886-124.200 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.046 42.554-122.729 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.124 45.366-123.903 1.00 0.58 H new ATOM 0 HG3 GLN A 27 52.969 44.184-124.486 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.840 46.371-123.267 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.272 45.965-121.644 1.00 2.02 H new ATOM 186 N LEU A 28 57.102 41.917-122.519 1.00 0.47 N ATOM 187 CA LEU A 28 57.832 40.769-121.907 1.00 0.47 C ATOM 188 C LEU A 28 58.912 41.270-120.949 1.00 0.39 C ATOM 189 O LEU A 28 59.039 40.787-119.842 1.00 0.50 O ATOM 190 CB LEU A 28 58.483 39.936-123.013 1.00 0.50 C ATOM 191 CG LEU A 28 57.417 39.095-123.715 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.996 38.510-125.005 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.979 37.956-122.792 1.00 1.21 C ATOM 0 H LEU A 28 57.160 41.974-123.536 1.00 0.47 H new ATOM 0 HA LEU A 28 57.122 40.159-121.348 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.977 40.590-123.732 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.252 39.289-122.590 1.00 0.50 H new ATOM 0 HG LEU A 28 56.558 39.722-123.954 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.236 37.910-125.506 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.310 39.320-125.663 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.855 37.882-124.767 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.219 37.355-123.291 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.839 37.329-122.554 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.567 38.371-121.872 1.00 1.21 H new ATOM 205 N TRP A 29 59.692 42.236-121.352 1.00 0.37 N ATOM 206 CA TRP A 29 60.758 42.771-120.468 1.00 0.30 C ATOM 207 C TRP A 29 60.131 43.195-119.145 1.00 0.36 C ATOM 208 O TRP A 29 60.450 42.674-118.089 1.00 0.39 O ATOM 209 CB TRP A 29 61.352 43.983-121.195 1.00 0.32 C ATOM 210 CG TRP A 29 62.512 44.565-120.465 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.687 45.887-120.270 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.665 43.904-119.865 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.867 46.088-119.589 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.506 44.898-119.310 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.061 42.558-119.742 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.694 44.572-118.662 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.257 42.228-119.088 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.071 43.235-118.548 1.00 0.41 C ATOM 0 H TRP A 29 59.632 42.680-122.268 1.00 0.37 H new ATOM 0 HA TRP A 29 61.532 42.032-120.258 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.667 43.686-122.195 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.582 44.745-121.316 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.011 46.664-120.595 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.225 47.005-119.323 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.440 41.776-120.154 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.320 45.350-118.250 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.553 41.193-119.000 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.990 42.974-118.044 1.00 0.41 H new ATOM 229 N GLU A 30 59.240 44.142-119.198 1.00 0.45 N ATOM 230 CA GLU A 30 58.586 44.603-117.951 1.00 0.56 C ATOM 231 C GLU A 30 58.192 43.366-117.145 1.00 0.50 C ATOM 232 O GLU A 30 58.417 43.286-115.953 1.00 0.52 O ATOM 233 CB GLU A 30 57.334 45.414-118.298 1.00 0.68 C ATOM 234 CG GLU A 30 57.720 46.878-118.519 1.00 0.86 C ATOM 235 CD GLU A 30 56.468 47.691-118.851 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.940 47.511-119.936 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.059 48.481-118.015 1.00 2.06 O ATOM 0 H GLU A 30 58.938 44.614-120.050 1.00 0.45 H new ATOM 0 HA GLU A 30 59.262 45.234-117.374 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.864 45.011-119.195 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.603 45.337-117.493 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.200 47.278-117.625 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.443 46.956-119.331 1.00 0.86 H new ATOM 244 N LYS A 31 57.610 42.399-117.798 1.00 0.46 N ATOM 245 CA LYS A 31 57.201 41.155-117.085 1.00 0.45 C ATOM 246 C LYS A 31 58.418 40.537-116.383 1.00 0.43 C ATOM 247 O LYS A 31 58.382 40.245-115.200 1.00 0.46 O ATOM 248 CB LYS A 31 56.631 40.155-118.093 1.00 0.44 C ATOM 249 CG LYS A 31 55.145 39.930-117.806 1.00 0.91 C ATOM 250 CD LYS A 31 54.649 38.718-118.597 1.00 0.99 C ATOM 251 CE LYS A 31 54.373 39.131-120.044 1.00 1.36 C ATOM 252 NZ LYS A 31 53.130 39.951-120.098 1.00 2.08 N ATOM 0 H LYS A 31 57.399 42.416-118.796 1.00 0.46 H new ATOM 0 HA LYS A 31 56.441 41.398-116.342 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.763 40.530-119.108 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.171 39.211-118.029 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.990 39.769-116.739 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.573 40.816-118.081 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.394 37.923-118.570 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.742 38.320-118.142 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.215 39.701-120.438 1.00 1.36 H new ATOM 0 HE3 LYS A 31 54.265 38.246-120.672 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.717 39.893-121.051 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.446 39.591-119.402 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.358 40.942-119.879 1.00 2.08 H new ATOM 266 N ALA A 32 59.495 40.326-117.093 1.00 0.41 N ATOM 267 CA ALA A 32 60.688 39.719-116.438 1.00 0.41 C ATOM 268 C ALA A 32 61.070 40.554-115.220 1.00 0.41 C ATOM 269 O ALA A 32 61.033 40.080-114.097 1.00 0.42 O ATOM 270 CB ALA A 32 61.867 39.674-117.410 1.00 0.42 C ATOM 0 H ALA A 32 59.599 40.544-118.084 1.00 0.41 H new ATOM 0 HA ALA A 32 60.445 38.701-116.133 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.730 39.228-116.915 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.598 39.076-118.280 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.115 40.687-117.728 1.00 0.42 H new ATOM 276 N GLN A 33 61.433 41.797-115.401 1.00 0.43 N ATOM 277 CA GLN A 33 61.798 42.611-114.216 1.00 0.47 C ATOM 278 C GLN A 33 60.755 42.365-113.134 1.00 0.49 C ATOM 279 O GLN A 33 61.065 42.285-111.962 1.00 0.53 O ATOM 280 CB GLN A 33 61.828 44.092-114.598 1.00 0.51 C ATOM 281 CG GLN A 33 63.002 44.350-115.548 1.00 0.53 C ATOM 282 CD GLN A 33 62.951 45.795-116.045 1.00 0.75 C ATOM 283 OE1 GLN A 33 61.816 46.291-116.458 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.954 46.481-116.059 1.00 1.23 N flip ATOM 0 H GLN A 33 61.491 42.272-116.302 1.00 0.43 H new ATOM 0 HA GLN A 33 62.786 42.332-113.850 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.890 44.374-115.076 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.928 44.707-113.704 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.946 44.164-115.035 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.957 43.662-116.393 1.00 0.53 H new ATOM 0 HE21 GLN A 33 64.841 46.094-115.736 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.909 47.444-116.393 1.00 1.23 H new ATOM 293 N ARG A 34 59.517 42.225-113.520 1.00 0.49 N ATOM 294 CA ARG A 34 58.457 41.962-112.516 1.00 0.52 C ATOM 295 C ARG A 34 58.790 40.666-111.793 1.00 0.52 C ATOM 296 O ARG A 34 58.616 40.546-110.597 1.00 0.55 O ATOM 297 CB ARG A 34 57.108 41.825-113.217 1.00 0.56 C ATOM 298 CG ARG A 34 56.174 42.947-112.757 1.00 0.67 C ATOM 299 CD ARG A 34 54.877 42.895-113.567 1.00 1.59 C ATOM 300 NE ARG A 34 55.188 43.051-115.015 1.00 1.96 N ATOM 301 CZ ARG A 34 54.292 42.744-115.912 1.00 2.81 C ATOM 302 NH1 ARG A 34 53.122 42.302-115.541 1.00 3.42 N ATOM 303 NH2 ARG A 34 54.566 42.880-117.181 1.00 3.58 N ATOM 0 H ARG A 34 59.197 42.282-114.487 1.00 0.49 H new ATOM 0 HA ARG A 34 58.403 42.786-111.804 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.242 41.870-114.298 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.666 40.855-112.991 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.956 42.841-111.694 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.658 43.915-112.888 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.366 41.948-113.394 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.201 43.686-113.242 1.00 1.59 H new ATOM 0 HE ARG A 34 56.102 43.398-115.306 1.00 1.96 H new ATOM 0 HH11 ARG A 34 52.908 42.196-114.549 1.00 3.42 H new ATOM 0 HH12 ARG A 34 52.422 42.062-116.243 1.00 3.42 H new ATOM 0 HH21 ARG A 34 55.481 43.226-117.471 1.00 3.58 H new ATOM 0 HH22 ARG A 34 53.866 42.640-117.883 1.00 3.58 H new ATOM 317 N LEU A 35 59.313 39.707-112.502 1.00 0.50 N ATOM 318 CA LEU A 35 59.705 38.441-111.835 1.00 0.54 C ATOM 319 C LEU A 35 60.978 38.731-111.054 1.00 0.55 C ATOM 320 O LEU A 35 61.406 37.969-110.210 1.00 0.61 O ATOM 321 CB LEU A 35 59.965 37.355-112.878 1.00 0.57 C ATOM 322 CG LEU A 35 58.653 36.647-113.213 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.823 37.526-114.150 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.956 35.314-113.898 1.00 0.84 C ATOM 0 H LEU A 35 59.484 39.746-113.507 1.00 0.50 H new ATOM 0 HA LEU A 35 58.913 38.086-111.175 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.393 37.795-113.778 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.692 36.637-112.498 1.00 0.57 H new ATOM 0 HG LEU A 35 58.093 36.466-112.296 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.887 37.021-114.389 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.608 38.476-113.662 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.382 37.708-115.068 1.00 1.20 H new ATOM 0 HD21 LEU A 35 58.021 34.807-114.138 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.516 35.495-114.815 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.547 34.688-113.230 1.00 0.84 H new ATOM 336 N HIS A 36 61.571 39.857-111.336 1.00 0.53 N ATOM 337 CA HIS A 36 62.820 40.266-110.625 1.00 0.58 C ATOM 338 C HIS A 36 63.944 39.253-110.864 1.00 0.49 C ATOM 339 O HIS A 36 64.419 38.608-109.950 1.00 1.37 O ATOM 340 CB HIS A 36 62.541 40.371-109.125 1.00 0.98 C ATOM 341 CG HIS A 36 62.026 41.747-108.805 1.00 1.43 C ATOM 342 ND1 HIS A 36 60.910 42.430-109.223 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.693 42.604-107.942 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.884 43.689-108.632 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 61.980 43.742-107.870 1.00 2.17 N flip ATOM 0 H HIS A 36 61.241 40.521-112.037 1.00 0.53 H new ATOM 0 HA HIS A 36 63.138 41.233-111.015 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.810 39.619-108.827 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.452 40.172-108.560 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.207 42.069-109.868 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.617 42.395-107.423 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.138 44.459-108.761 1.00 2.32 H new ATOM 353 N LEU A 37 64.353 39.097-112.089 1.00 0.59 N ATOM 354 CA LEU A 37 65.428 38.105-112.378 1.00 0.43 C ATOM 355 C LEU A 37 66.784 38.785-112.165 1.00 0.44 C ATOM 356 O LEU A 37 67.023 39.866-112.668 1.00 0.42 O ATOM 357 CB LEU A 37 65.364 37.642-113.835 1.00 0.53 C ATOM 358 CG LEU A 37 63.929 37.310-114.235 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.273 38.549-114.848 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.953 36.190-115.277 1.00 0.82 C ATOM 0 H LEU A 37 63.996 39.606-112.897 1.00 0.59 H new ATOM 0 HA LEU A 37 65.298 37.247-111.719 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.757 38.422-114.487 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.997 36.765-113.971 1.00 0.53 H new ATOM 0 HG LEU A 37 63.365 36.994-113.358 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.248 38.314-115.134 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.269 39.358-114.117 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.834 38.859-115.730 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.932 35.944-115.570 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.513 36.519-116.152 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.431 35.307-114.852 1.00 0.82 H new ATOM 372 N PRO A 38 67.671 38.164-111.422 1.00 0.57 N ATOM 373 CA PRO A 38 69.008 38.759-111.164 1.00 0.66 C ATOM 374 C PRO A 38 69.633 39.283-112.447 1.00 0.58 C ATOM 375 O PRO A 38 69.298 38.841-113.518 1.00 0.52 O ATOM 376 CB PRO A 38 69.797 37.565-110.625 1.00 0.81 C ATOM 377 CG PRO A 38 68.799 36.460-110.248 1.00 0.82 C ATOM 378 CD PRO A 38 67.417 36.838-110.803 1.00 0.69 C ATOM 0 HA PRO A 38 68.980 39.612-110.486 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.499 37.203-111.376 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.385 37.859-109.755 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.122 35.503-110.657 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.753 36.345-109.165 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.060 36.111-111.533 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.665 36.895-110.016 1.00 0.69 H new ATOM 386 N PRO A 39 70.535 40.210-112.349 1.00 0.62 N ATOM 387 CA PRO A 39 71.187 40.759-113.558 1.00 0.60 C ATOM 388 C PRO A 39 71.719 39.640-114.453 1.00 0.53 C ATOM 389 O PRO A 39 71.472 39.605-115.631 1.00 0.51 O ATOM 390 CB PRO A 39 72.326 41.593-112.969 1.00 0.74 C ATOM 391 CG PRO A 39 72.157 41.651-111.443 1.00 0.81 C ATOM 392 CD PRO A 39 70.970 40.767-111.044 1.00 0.74 C ATOM 0 HA PRO A 39 70.515 41.335-114.194 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.289 41.152-113.226 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.314 42.599-113.389 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.066 41.308-110.949 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.988 42.678-111.121 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.264 39.983-110.345 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.178 41.342-110.564 1.00 0.74 H new ATOM 400 N VAL A 40 72.486 38.758-113.894 1.00 0.52 N ATOM 401 CA VAL A 40 73.093 37.649-114.681 1.00 0.47 C ATOM 402 C VAL A 40 72.024 36.909-115.479 1.00 0.41 C ATOM 403 O VAL A 40 72.087 36.803-116.697 1.00 0.37 O ATOM 404 CB VAL A 40 73.775 36.679-113.709 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.759 35.674-113.164 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.898 35.933-114.433 1.00 0.50 C ATOM 0 H VAL A 40 72.726 38.755-112.903 1.00 0.52 H new ATOM 0 HA VAL A 40 73.821 38.058-115.382 1.00 0.47 H new ATOM 0 HB VAL A 40 74.191 37.247-112.877 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.256 34.991-112.475 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.967 36.207-112.638 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.329 35.107-113.990 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.382 35.244-113.741 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.482 35.374-115.271 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.631 36.650-114.804 1.00 0.50 H new ATOM 416 N ARG A 41 71.032 36.405-114.814 1.00 0.42 N ATOM 417 CA ARG A 41 69.959 35.676-115.534 1.00 0.40 C ATOM 418 C ARG A 41 69.129 36.685-116.308 1.00 0.34 C ATOM 419 O ARG A 41 68.465 36.356-117.276 1.00 0.30 O ATOM 420 CB ARG A 41 69.069 34.942-114.528 1.00 0.46 C ATOM 421 CG ARG A 41 67.949 34.213-115.275 1.00 0.87 C ATOM 422 CD ARG A 41 66.930 33.674-114.269 1.00 1.00 C ATOM 423 NE ARG A 41 67.568 32.619-113.433 1.00 1.53 N ATOM 424 CZ ARG A 41 66.997 32.228-112.328 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.864 32.760-111.955 1.00 2.54 N ATOM 426 NH2 ARG A 41 67.557 31.305-111.595 1.00 3.12 N ATOM 0 H ARG A 41 70.916 36.465-113.802 1.00 0.42 H new ATOM 0 HA ARG A 41 70.396 34.947-116.216 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.662 34.230-113.954 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.645 35.651-113.816 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.461 34.893-115.974 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.363 33.394-115.863 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.565 34.483-113.636 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.067 33.265-114.794 1.00 1.00 H new ATOM 0 HE ARG A 41 68.452 32.202-113.725 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.426 33.481-112.528 1.00 2.54 H new ATOM 0 HH12 ARG A 41 65.417 32.454-111.091 1.00 2.54 H new ATOM 0 HH21 ARG A 41 68.442 30.889-111.886 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.110 30.999-110.731 1.00 3.12 H new ATOM 440 N LEU A 42 69.171 37.921-115.901 1.00 0.35 N ATOM 441 CA LEU A 42 68.388 38.943-116.633 1.00 0.30 C ATOM 442 C LEU A 42 69.184 39.359-117.861 1.00 0.31 C ATOM 443 O LEU A 42 68.634 39.823-118.831 1.00 0.49 O ATOM 444 CB LEU A 42 68.089 40.148-115.741 1.00 0.32 C ATOM 445 CG LEU A 42 66.914 40.930-116.339 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.593 40.237-116.009 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.889 42.341-115.748 1.00 0.60 C ATOM 0 H LEU A 42 69.707 38.262-115.103 1.00 0.35 H new ATOM 0 HA LEU A 42 67.428 38.526-116.936 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.847 39.818-114.731 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.968 40.788-115.665 1.00 0.32 H new ATOM 0 HG LEU A 42 67.039 40.975-117.421 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.767 40.803-116.440 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.597 39.229-116.424 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.471 40.183-114.927 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.054 42.898-116.172 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.772 42.280-114.666 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.823 42.851-115.984 1.00 0.60 H new ATOM 459 N ALA A 43 70.474 39.147-117.853 1.00 0.30 N ATOM 460 CA ALA A 43 71.283 39.469-119.049 1.00 0.30 C ATOM 461 C ALA A 43 71.030 38.320-120.006 1.00 0.29 C ATOM 462 O ALA A 43 71.006 38.463-121.203 1.00 0.28 O ATOM 463 CB ALA A 43 72.766 39.533-118.679 1.00 0.36 C ATOM 0 H ALA A 43 70.996 38.764-117.065 1.00 0.30 H new ATOM 0 HA ALA A 43 71.019 40.434-119.482 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.352 39.771-119.567 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.920 40.305-117.925 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.084 38.569-118.282 1.00 0.36 H new ATOM 469 N GLU A 44 70.821 37.167-119.447 1.00 0.30 N ATOM 470 CA GLU A 44 70.527 36.001-120.313 1.00 0.32 C ATOM 471 C GLU A 44 69.202 36.303-121.025 1.00 0.30 C ATOM 472 O GLU A 44 69.146 36.422-122.233 1.00 0.34 O ATOM 473 CB GLU A 44 70.393 34.733-119.465 1.00 0.37 C ATOM 474 CG GLU A 44 71.737 34.412-118.810 1.00 1.15 C ATOM 475 CD GLU A 44 71.534 33.372-117.709 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.564 32.634-117.789 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.351 33.328-116.803 1.00 2.80 O ATOM 0 H GLU A 44 70.840 36.983-118.444 1.00 0.30 H new ATOM 0 HA GLU A 44 71.330 35.835-121.032 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.628 34.873-118.701 1.00 0.37 H new ATOM 0 HB3 GLU A 44 70.072 33.898-120.088 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.436 34.035-119.556 1.00 1.15 H new ATOM 0 HG3 GLU A 44 72.175 35.318-118.392 1.00 1.15 H new ATOM 484 N LEU A 45 68.134 36.419-120.279 1.00 0.28 N ATOM 485 CA LEU A 45 66.797 36.704-120.898 1.00 0.29 C ATOM 486 C LEU A 45 66.775 38.100-121.547 1.00 0.24 C ATOM 487 O LEU A 45 66.122 38.313-122.549 1.00 0.25 O ATOM 488 CB LEU A 45 65.718 36.637-119.812 1.00 0.34 C ATOM 489 CG LEU A 45 64.350 36.961-120.419 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.702 35.677-120.939 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.453 37.581-119.343 1.00 0.77 C ATOM 0 H LEU A 45 68.127 36.329-119.263 1.00 0.28 H new ATOM 0 HA LEU A 45 66.606 35.960-121.671 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.701 35.643-119.364 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.948 37.343-119.014 1.00 0.34 H new ATOM 0 HG LEU A 45 64.476 37.663-121.243 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.729 35.910-121.371 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.340 35.231-121.702 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.575 34.974-120.116 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.478 37.813-119.772 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.330 36.875-118.521 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.912 38.496-118.969 1.00 0.77 H new ATOM 503 N HIS A 46 67.496 39.041-121.004 1.00 0.21 N ATOM 504 CA HIS A 46 67.517 40.405-121.619 1.00 0.20 C ATOM 505 C HIS A 46 68.362 40.349-122.892 1.00 0.19 C ATOM 506 O HIS A 46 67.952 40.781-123.951 1.00 0.21 O ATOM 507 CB HIS A 46 68.131 41.413-120.643 1.00 0.23 C ATOM 508 CG HIS A 46 68.100 42.788-121.251 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.089 43.708-121.391 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.224 43.374-121.809 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.577 44.847-122.023 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.868 44.593-122.253 1.00 0.31 N flip ATOM 0 H HIS A 46 68.069 38.930-120.167 1.00 0.21 H new ATOM 0 HA HIS A 46 66.500 40.719-121.853 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.578 41.407-119.703 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.158 41.130-120.411 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.127 43.576-121.079 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.207 42.933-121.876 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.030 45.744-122.274 1.00 0.35 H new ATOM 520 N ALA A 47 69.538 39.802-122.785 1.00 0.19 N ATOM 521 CA ALA A 47 70.439 39.681-123.965 1.00 0.22 C ATOM 522 C ALA A 47 69.715 38.916-125.066 1.00 0.21 C ATOM 523 O ALA A 47 69.517 39.413-126.157 1.00 0.22 O ATOM 524 CB ALA A 47 71.699 38.910-123.560 1.00 0.27 C ATOM 0 H ALA A 47 69.920 39.427-121.917 1.00 0.19 H new ATOM 0 HA ALA A 47 70.715 40.673-124.323 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.362 38.819-124.420 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.212 39.446-122.762 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.421 37.916-123.209 1.00 0.27 H new ATOM 530 N ASP A 48 69.302 37.714-124.781 1.00 0.22 N ATOM 531 CA ASP A 48 68.573 36.924-125.808 1.00 0.25 C ATOM 532 C ASP A 48 67.400 37.767-126.299 1.00 0.22 C ATOM 533 O ASP A 48 67.214 37.967-127.480 1.00 0.25 O ATOM 534 CB ASP A 48 68.054 35.626-125.188 1.00 0.28 C ATOM 535 CG ASP A 48 69.229 34.814-124.641 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.347 35.078-125.051 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.992 33.942-123.821 1.00 0.94 O ATOM 0 H ASP A 48 69.437 37.246-123.885 1.00 0.22 H new ATOM 0 HA ASP A 48 69.234 36.672-126.637 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.349 35.850-124.387 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.513 35.045-125.935 1.00 0.28 H new ATOM 542 N LEU A 49 66.620 38.276-125.389 1.00 0.19 N ATOM 543 CA LEU A 49 65.474 39.125-125.801 1.00 0.19 C ATOM 544 C LEU A 49 65.994 40.178-126.780 1.00 0.18 C ATOM 545 O LEU A 49 65.361 40.484-127.771 1.00 0.19 O ATOM 546 CB LEU A 49 64.849 39.798-124.578 1.00 0.18 C ATOM 547 CG LEU A 49 63.800 38.863-123.970 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.140 39.544-122.771 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.732 38.540-125.019 1.00 0.89 C ATOM 0 H LEU A 49 66.726 38.141-124.384 1.00 0.19 H new ATOM 0 HA LEU A 49 64.706 38.517-126.278 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.619 40.028-123.842 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.389 40.744-124.864 1.00 0.18 H new ATOM 0 HG LEU A 49 64.284 37.942-123.645 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.394 38.877-122.339 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.897 39.775-122.022 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.658 40.466-123.096 1.00 1.06 H new ATOM 0 HD21 LEU A 49 61.986 37.874-124.585 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.251 39.462-125.344 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.199 38.053-125.875 1.00 0.89 H new ATOM 561 N LYS A 50 67.163 40.712-126.531 1.00 0.20 N ATOM 562 CA LYS A 50 67.728 41.715-127.475 1.00 0.21 C ATOM 563 C LYS A 50 68.002 40.999-128.795 1.00 0.23 C ATOM 564 O LYS A 50 67.504 41.367-129.836 1.00 0.24 O ATOM 565 CB LYS A 50 69.036 42.280-126.914 1.00 0.24 C ATOM 566 CG LYS A 50 68.786 42.865-125.521 1.00 0.36 C ATOM 567 CD LYS A 50 69.198 44.339-125.500 1.00 0.84 C ATOM 568 CE LYS A 50 70.710 44.443-125.295 1.00 1.09 C ATOM 569 NZ LYS A 50 71.218 45.674-125.967 1.00 1.84 N ATOM 0 H LYS A 50 67.744 40.497-125.721 1.00 0.20 H new ATOM 0 HA LYS A 50 67.031 42.540-127.620 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.790 41.495-126.860 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.426 43.051-127.579 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.732 42.768-125.259 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.353 42.308-124.775 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.913 44.821-126.435 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.675 44.862-124.700 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.942 44.474-124.231 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.205 43.562-125.703 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.246 45.746-125.828 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.008 45.626-126.985 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.754 46.510-125.557 1.00 1.84 H new ATOM 583 N ILE A 51 68.789 39.965-128.751 1.00 0.25 N ATOM 584 CA ILE A 51 69.074 39.228-130.007 1.00 0.27 C ATOM 585 C ILE A 51 67.738 39.095-130.735 1.00 0.26 C ATOM 586 O ILE A 51 67.555 39.593-131.839 1.00 0.25 O ATOM 587 CB ILE A 51 69.638 37.843-129.686 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.156 37.939-129.515 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.316 36.882-130.833 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.480 38.930-128.395 1.00 0.30 C ATOM 0 H ILE A 51 69.242 39.602-127.912 1.00 0.25 H new ATOM 0 HA ILE A 51 69.810 39.751-130.618 1.00 0.27 H new ATOM 0 HB ILE A 51 69.189 37.473-128.764 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.569 36.958-129.279 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.618 38.263-130.447 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.718 35.895-130.604 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.235 36.814-130.958 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.765 37.252-131.755 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.561 38.999-128.272 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.080 39.911-128.650 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.030 38.586-127.464 1.00 0.30 H new ATOM 602 N GLN A 52 66.778 38.467-130.110 1.00 0.26 N ATOM 603 CA GLN A 52 65.448 38.350-130.746 1.00 0.27 C ATOM 604 C GLN A 52 64.973 39.754-131.113 1.00 0.24 C ATOM 605 O GLN A 52 64.181 39.927-132.006 1.00 0.26 O ATOM 606 CB GLN A 52 64.464 37.713-129.764 1.00 0.32 C ATOM 607 CG GLN A 52 63.324 37.054-130.540 1.00 0.45 C ATOM 608 CD GLN A 52 63.862 35.845-131.307 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.023 34.779-130.747 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.150 35.966-132.574 1.00 0.48 N ATOM 0 H GLN A 52 66.863 38.034-129.190 1.00 0.26 H new ATOM 0 HA GLN A 52 65.507 37.726-131.638 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.975 36.972-129.149 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.068 38.470-129.087 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.536 36.742-129.855 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.880 37.769-131.232 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.015 36.861-133.045 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.510 35.166-133.094 1.00 0.48 H new ATOM 619 N GLU A 53 65.448 40.763-130.423 1.00 0.23 N ATOM 620 CA GLU A 53 65.014 42.151-130.755 1.00 0.23 C ATOM 621 C GLU A 53 65.670 42.580-132.067 1.00 0.20 C ATOM 622 O GLU A 53 65.083 43.282-132.858 1.00 0.21 O ATOM 623 CB GLU A 53 65.431 43.129-129.659 1.00 0.25 C ATOM 624 CG GLU A 53 65.114 44.556-130.118 1.00 0.28 C ATOM 625 CD GLU A 53 66.363 45.431-129.976 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.228 45.072-129.192 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.433 46.444-130.650 1.00 1.04 O ATOM 0 H GLU A 53 66.111 40.684-129.652 1.00 0.23 H new ATOM 0 HA GLU A 53 63.928 42.161-130.845 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.902 42.905-128.733 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.496 43.028-129.450 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.779 44.549-131.155 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.299 44.968-129.522 1.00 0.28 H new ATOM 634 N ARG A 54 66.880 42.165-132.309 1.00 0.22 N ATOM 635 CA ARG A 54 67.548 42.553-133.580 1.00 0.22 C ATOM 636 C ARG A 54 66.843 41.845-134.725 1.00 0.20 C ATOM 637 O ARG A 54 66.698 42.368-135.816 1.00 0.21 O ATOM 638 CB ARG A 54 69.006 42.104-133.536 1.00 0.24 C ATOM 639 CG ARG A 54 69.802 43.049-132.641 1.00 0.27 C ATOM 640 CD ARG A 54 71.266 43.065-133.084 1.00 0.85 C ATOM 641 NE ARG A 54 71.896 41.753-132.762 1.00 1.55 N ATOM 642 CZ ARG A 54 73.039 41.428-133.301 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.632 42.254-134.119 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.589 40.278-133.022 1.00 3.03 N ATOM 0 H ARG A 54 67.433 41.577-131.686 1.00 0.22 H new ATOM 0 HA ARG A 54 67.503 43.633-133.717 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.072 41.084-133.157 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.426 42.098-134.542 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.385 44.054-132.695 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.730 42.729-131.602 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.331 43.259-134.155 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.801 43.871-132.581 1.00 0.85 H new ATOM 0 HE ARG A 54 71.434 41.109-132.120 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.202 43.153-134.337 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.526 42.001-134.541 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.125 39.633-132.382 1.00 3.03 H new ATOM 0 HH22 ARG A 54 74.482 40.024-133.444 1.00 3.03 H new ATOM 658 N ASP A 55 66.375 40.663-134.464 1.00 0.20 N ATOM 659 CA ASP A 55 65.645 39.900-135.516 1.00 0.21 C ATOM 660 C ASP A 55 64.180 40.349-135.538 1.00 0.21 C ATOM 661 O ASP A 55 63.556 40.445-136.581 1.00 0.20 O ATOM 662 CB ASP A 55 65.717 38.403-135.206 1.00 0.25 C ATOM 663 CG ASP A 55 67.177 37.947-135.224 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.993 38.661-135.784 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.454 36.893-134.677 1.00 0.94 O ATOM 0 H ASP A 55 66.464 40.187-133.566 1.00 0.20 H new ATOM 0 HA ASP A 55 66.101 40.088-136.488 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.274 38.201-134.231 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.140 37.841-135.940 1.00 0.25 H new ATOM 670 N GLU A 56 63.636 40.659-134.395 1.00 0.27 N ATOM 671 CA GLU A 56 62.226 41.124-134.338 1.00 0.32 C ATOM 672 C GLU A 56 62.160 42.511-134.948 1.00 0.30 C ATOM 673 O GLU A 56 61.359 42.781-135.815 1.00 0.31 O ATOM 674 CB GLU A 56 61.753 41.172-132.884 1.00 0.39 C ATOM 675 CG GLU A 56 61.212 39.800-132.478 1.00 0.44 C ATOM 676 CD GLU A 56 59.857 39.567-133.147 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.383 40.472-133.814 1.00 1.72 O ATOM 678 OE2 GLU A 56 59.314 38.487-132.981 1.00 1.39 O ATOM 0 H GLU A 56 64.111 40.609-133.494 1.00 0.27 H new ATOM 0 HA GLU A 56 61.581 40.440-134.889 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.578 41.457-132.231 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.978 41.929-132.767 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.914 39.019-132.772 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.109 39.744-131.394 1.00 0.44 H new ATOM 685 N LEU A 57 63.024 43.389-134.534 1.00 0.30 N ATOM 686 CA LEU A 57 63.021 44.736-135.140 1.00 0.32 C ATOM 687 C LEU A 57 63.345 44.555-136.619 1.00 0.28 C ATOM 688 O LEU A 57 62.654 45.051-137.483 1.00 0.29 O ATOM 689 CB LEU A 57 64.075 45.623-134.474 1.00 0.36 C ATOM 690 CG LEU A 57 63.462 46.299-133.248 1.00 0.50 C ATOM 691 CD1 LEU A 57 62.651 45.276-132.453 1.00 1.08 C ATOM 692 CD2 LEU A 57 64.575 46.869-132.367 1.00 1.22 C ATOM 0 H LEU A 57 63.724 43.232-133.809 1.00 0.30 H new ATOM 0 HA LEU A 57 62.053 45.219-135.007 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.938 45.025-134.181 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.432 46.375-135.178 1.00 0.36 H new ATOM 0 HG LEU A 57 62.807 47.108-133.570 1.00 0.50 H new ATOM 0 HD11 LEU A 57 62.214 45.758-131.579 1.00 1.08 H new ATOM 0 HD12 LEU A 57 61.856 44.874-133.081 1.00 1.08 H new ATOM 0 HD13 LEU A 57 63.304 44.465-132.131 1.00 1.08 H new ATOM 0 HD21 LEU A 57 64.137 47.351-131.493 1.00 1.22 H new ATOM 0 HD22 LEU A 57 65.233 46.062-132.045 1.00 1.22 H new ATOM 0 HD23 LEU A 57 65.150 47.601-132.935 1.00 1.22 H new ATOM 704 N ALA A 58 64.369 43.801-136.926 1.00 0.25 N ATOM 705 CA ALA A 58 64.680 43.558-138.357 1.00 0.24 C ATOM 706 C ALA A 58 63.396 43.046-139.005 1.00 0.21 C ATOM 707 O ALA A 58 63.139 43.246-140.179 1.00 0.21 O ATOM 708 CB ALA A 58 65.784 42.504-138.480 1.00 0.24 C ATOM 0 H ALA A 58 64.992 43.351-136.256 1.00 0.25 H new ATOM 0 HA ALA A 58 65.029 44.469-138.843 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.006 42.331-139.533 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.682 42.857-137.973 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.451 41.573-138.022 1.00 0.24 H new ATOM 714 N TRP A 59 62.556 42.425-138.219 1.00 0.19 N ATOM 715 CA TRP A 59 61.269 41.950-138.779 1.00 0.18 C ATOM 716 C TRP A 59 60.348 43.154-138.968 1.00 0.20 C ATOM 717 O TRP A 59 59.916 43.443-140.068 1.00 0.30 O ATOM 718 CB TRP A 59 60.587 40.928-137.874 1.00 0.19 C ATOM 719 CG TRP A 59 59.363 40.460-138.589 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.341 39.510-139.552 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.993 40.924-138.439 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.050 39.376-140.018 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.177 40.219-139.354 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.385 41.879-137.606 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.805 40.456-139.441 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.006 42.118-137.688 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.218 41.408-138.603 1.00 0.39 C ATOM 0 H TRP A 59 62.707 42.231-137.229 1.00 0.19 H new ATOM 0 HA TRP A 59 61.472 41.457-139.730 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.255 40.092-137.665 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.326 41.376-136.915 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.195 38.948-139.899 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.773 38.734-140.761 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.984 42.432-136.898 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.202 39.908-140.150 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.549 42.853-137.042 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.156 41.596-138.661 1.00 0.39 H new ATOM 738 N LYS A 60 60.029 43.860-137.913 1.00 0.27 N ATOM 739 CA LYS A 60 59.130 45.031-138.083 1.00 0.30 C ATOM 740 C LYS A 60 59.587 45.769-139.340 1.00 0.29 C ATOM 741 O LYS A 60 58.791 46.267-140.115 1.00 0.31 O ATOM 742 CB LYS A 60 59.225 45.961-136.867 1.00 0.38 C ATOM 743 CG LYS A 60 60.401 46.924-137.038 1.00 0.42 C ATOM 744 CD LYS A 60 60.673 47.638-135.712 1.00 1.08 C ATOM 745 CE LYS A 60 62.003 48.391-135.800 1.00 1.53 C ATOM 746 NZ LYS A 60 62.235 49.139-134.533 1.00 2.27 N ATOM 0 H LYS A 60 60.347 43.678-136.961 1.00 0.27 H new ATOM 0 HA LYS A 60 58.093 44.707-138.174 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.298 46.522-136.754 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.354 45.373-135.958 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.288 46.378-137.358 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.177 47.653-137.817 1.00 0.42 H new ATOM 0 HD2 LYS A 60 59.864 48.333-135.489 1.00 1.08 H new ATOM 0 HD3 LYS A 60 60.706 46.915-134.897 1.00 1.08 H new ATOM 0 HE2 LYS A 60 62.819 47.690-135.976 1.00 1.53 H new ATOM 0 HE3 LYS A 60 61.988 49.080-136.644 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 62.126 50.159-134.707 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 61.544 48.834-133.818 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 63.197 48.948-134.188 1.00 2.27 H new ATOM 760 N LYS A 61 60.873 45.804-139.572 1.00 0.28 N ATOM 761 CA LYS A 61 61.387 46.472-140.794 1.00 0.30 C ATOM 762 C LYS A 61 61.132 45.556-141.988 1.00 0.27 C ATOM 763 O LYS A 61 60.928 46.015-143.094 1.00 0.35 O ATOM 764 CB LYS A 61 62.886 46.735-140.657 1.00 0.35 C ATOM 765 CG LYS A 61 63.175 47.355-139.290 1.00 0.40 C ATOM 766 CD LYS A 61 64.098 48.564-139.463 1.00 0.77 C ATOM 767 CE LYS A 61 65.496 48.085-139.859 1.00 1.42 C ATOM 768 NZ LYS A 61 66.059 47.239-138.770 1.00 2.43 N ATOM 0 H LYS A 61 61.586 45.398-138.966 1.00 0.28 H new ATOM 0 HA LYS A 61 60.879 47.426-140.936 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.441 45.803-140.770 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.222 47.404-141.449 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.244 47.660-138.813 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.642 46.618-138.636 1.00 0.40 H new ATOM 0 HD2 LYS A 61 63.701 49.232-140.227 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.146 49.134-138.535 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.448 47.516-140.788 1.00 1.42 H new ATOM 0 HE3 LYS A 61 66.146 48.940-140.043 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.988 47.611-138.487 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 65.416 47.253-137.952 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.166 46.262-139.110 1.00 2.43 H new ATOM 782 N LEU A 62 61.098 44.261-141.778 1.00 0.24 N ATOM 783 CA LEU A 62 60.805 43.344-142.915 1.00 0.24 C ATOM 784 C LEU A 62 59.382 43.614-143.382 1.00 0.24 C ATOM 785 O LEU A 62 59.144 44.014-144.504 1.00 0.26 O ATOM 786 CB LEU A 62 60.879 41.886-142.451 1.00 0.24 C ATOM 787 CG LEU A 62 62.310 41.358-142.560 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.525 40.258-141.519 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.530 40.771-143.954 1.00 0.41 C ATOM 0 H LEU A 62 61.259 43.808-140.878 1.00 0.24 H new ATOM 0 HA LEU A 62 61.530 43.511-143.712 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.535 41.809-141.420 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.212 41.272-143.056 1.00 0.24 H new ATOM 0 HG LEU A 62 63.011 42.174-142.387 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.544 39.880-141.595 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.362 40.665-140.521 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.822 39.445-141.699 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.550 40.394-144.033 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.827 39.954-144.120 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.370 41.545-144.704 1.00 0.41 H new ATOM 801 N LYS A 63 58.430 43.385-142.518 1.00 0.24 N ATOM 802 CA LYS A 63 57.015 43.616-142.903 1.00 0.26 C ATOM 803 C LYS A 63 56.857 45.064-143.376 1.00 0.29 C ATOM 804 O LYS A 63 56.069 45.345-144.257 1.00 0.30 O ATOM 805 CB LYS A 63 56.089 43.335-141.713 1.00 0.34 C ATOM 806 CG LYS A 63 55.996 44.570-140.818 1.00 0.46 C ATOM 807 CD LYS A 63 55.028 44.298-139.667 1.00 0.41 C ATOM 808 CE LYS A 63 54.017 45.442-139.568 1.00 0.58 C ATOM 809 NZ LYS A 63 53.053 45.158-138.467 1.00 1.20 N ATOM 0 H LYS A 63 58.574 43.049-141.566 1.00 0.24 H new ATOM 0 HA LYS A 63 56.741 42.940-143.713 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.097 43.060-142.071 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.467 42.488-141.140 1.00 0.34 H new ATOM 0 HG2 LYS A 63 56.981 44.822-140.426 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.655 45.427-141.398 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.509 43.353-139.830 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.578 44.202-138.731 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.534 46.383-139.380 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.484 45.554-140.512 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.365 45.935-138.399 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 52.552 44.268-138.665 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.568 45.072-137.568 1.00 1.20 H new ATOM 823 N LEU A 64 57.609 45.992-142.825 1.00 0.33 N ATOM 824 CA LEU A 64 57.497 47.407-143.286 1.00 0.43 C ATOM 825 C LEU A 64 58.010 47.530-144.721 1.00 0.52 C ATOM 826 O LEU A 64 57.361 48.101-145.575 1.00 0.75 O ATOM 827 CB LEU A 64 58.340 48.308-142.372 1.00 0.38 C ATOM 828 CG LEU A 64 57.510 48.807-141.183 1.00 0.50 C ATOM 829 CD1 LEU A 64 56.729 50.055-141.597 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.529 47.725-140.739 1.00 1.23 C ATOM 0 H LEU A 64 58.289 45.828-142.082 1.00 0.33 H new ATOM 0 HA LEU A 64 56.452 47.713-143.248 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.207 47.756-142.010 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.718 49.158-142.940 1.00 0.38 H new ATOM 0 HG LEU A 64 58.180 49.046-140.357 1.00 0.50 H new ATOM 0 HD11 LEU A 64 56.138 50.411-140.753 1.00 1.10 H new ATOM 0 HD12 LEU A 64 57.426 50.834-141.907 1.00 1.10 H new ATOM 0 HD13 LEU A 64 56.066 49.811-142.427 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.944 48.089-139.894 1.00 1.23 H new ATOM 0 HD22 LEU A 64 55.861 47.479-141.564 1.00 1.23 H new ATOM 0 HD23 LEU A 64 57.081 46.833-140.441 1.00 1.23 H new ATOM 842 N ASP A 65 59.176 47.015-144.991 1.00 0.45 N ATOM 843 CA ASP A 65 59.737 47.119-146.367 1.00 0.60 C ATOM 844 C ASP A 65 59.040 46.126-147.299 1.00 0.96 C ATOM 845 O ASP A 65 59.216 46.168-148.501 1.00 0.98 O ATOM 846 CB ASP A 65 61.235 46.810-146.328 1.00 0.53 C ATOM 847 CG ASP A 65 61.975 47.956-145.635 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.317 48.894-145.219 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.188 47.875-145.532 1.00 1.31 O ATOM 0 H ASP A 65 59.766 46.526-144.318 1.00 0.45 H new ATOM 0 HA ASP A 65 59.576 48.130-146.740 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.410 45.875-145.796 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.616 46.677-147.340 1.00 0.53 H new ATOM 854 N GLY A 66 58.246 45.237-146.768 1.00 1.30 N ATOM 855 CA GLY A 66 57.543 44.259-147.644 1.00 1.72 C ATOM 856 C GLY A 66 58.496 43.127-148.041 1.00 0.91 C ATOM 857 O GLY A 66 58.732 42.887-149.208 1.00 1.14 O ATOM 0 H GLY A 66 58.055 45.146-145.770 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.677 43.850-147.124 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.170 44.761-148.537 1.00 1.72 H new ATOM 861 N LEU A 67 59.037 42.421-147.084 1.00 0.37 N ATOM 862 CA LEU A 67 59.959 41.301-147.422 1.00 1.03 C ATOM 863 C LEU A 67 59.277 39.970-147.105 1.00 0.91 C ATOM 864 O LEU A 67 59.343 39.031-147.874 1.00 1.09 O ATOM 865 CB LEU A 67 61.258 41.445-146.629 1.00 1.69 C ATOM 866 CG LEU A 67 62.225 42.334-147.417 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.981 43.268-146.468 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.229 41.451-148.163 1.00 2.68 C ATOM 0 H LEU A 67 58.881 42.571-146.087 1.00 0.37 H new ATOM 0 HA LEU A 67 60.199 41.328-148.485 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.056 41.882-145.651 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.704 40.466-146.455 1.00 1.69 H new ATOM 0 HG LEU A 67 61.656 42.934-148.127 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.665 43.894-147.042 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.270 43.900-145.936 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.548 42.676-145.749 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.919 42.080-148.725 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.788 40.850-147.446 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.696 40.794-148.850 1.00 2.68 H new ATOM 880 N ASP A 68 58.555 39.900-146.020 1.00 0.69 N ATOM 881 CA ASP A 68 57.791 38.664-145.691 1.00 0.59 C ATOM 882 C ASP A 68 56.318 39.024-145.875 1.00 0.59 C ATOM 883 O ASP A 68 55.796 39.823-145.123 1.00 0.59 O ATOM 884 CB ASP A 68 58.057 38.260-144.232 1.00 0.53 C ATOM 885 CG ASP A 68 57.782 36.765-144.061 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.417 36.134-145.039 1.00 0.97 O ATOM 887 OD2 ASP A 68 57.942 36.275-142.955 1.00 1.19 O ATOM 0 H ASP A 68 58.461 40.655-145.341 1.00 0.69 H new ATOM 0 HA ASP A 68 58.082 37.827-146.325 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.089 38.484-143.963 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.421 38.837-143.561 1.00 0.53 H new ATOM 892 N GLU A 69 55.618 38.493-146.845 1.00 0.63 N ATOM 893 CA GLU A 69 54.190 38.887-146.997 1.00 0.69 C ATOM 894 C GLU A 69 53.288 37.969-146.175 1.00 0.71 C ATOM 895 O GLU A 69 52.089 38.161-146.121 1.00 0.77 O ATOM 896 CB GLU A 69 53.794 38.797-148.472 1.00 0.73 C ATOM 897 CG GLU A 69 54.003 37.366-148.970 1.00 0.75 C ATOM 898 CD GLU A 69 54.217 37.379-150.485 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.236 37.476-151.202 1.00 2.06 O ATOM 900 OE2 GLU A 69 55.361 37.292-150.902 1.00 1.82 O ATOM 0 H GLU A 69 55.967 37.817-147.525 1.00 0.63 H new ATOM 0 HA GLU A 69 54.069 39.909-146.639 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.751 39.089-148.598 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.392 39.490-149.063 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.865 36.919-148.474 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.138 36.752-148.720 1.00 0.75 H new ATOM 907 N ASP A 70 53.834 36.975-145.530 1.00 0.72 N ATOM 908 CA ASP A 70 52.980 36.067-144.717 1.00 0.78 C ATOM 909 C ASP A 70 53.430 36.159-143.265 1.00 0.69 C ATOM 910 O ASP A 70 52.875 35.534-142.383 1.00 0.84 O ATOM 911 CB ASP A 70 53.135 34.627-145.216 1.00 0.83 C ATOM 912 CG ASP A 70 52.941 34.588-146.732 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.132 35.355-147.227 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.604 33.789-147.373 1.00 1.34 O ATOM 0 H ASP A 70 54.830 36.754-145.531 1.00 0.72 H new ATOM 0 HA ASP A 70 51.933 36.358-144.805 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.122 34.245-144.955 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.404 33.981-144.729 1.00 0.83 H new ATOM 919 N GLY A 71 54.429 36.956-143.015 1.00 0.50 N ATOM 920 CA GLY A 71 54.926 37.127-141.626 1.00 0.43 C ATOM 921 C GLY A 71 55.608 35.851-141.128 1.00 0.34 C ATOM 922 O GLY A 71 55.723 35.643-139.939 1.00 0.31 O ATOM 0 H GLY A 71 54.926 37.500-143.720 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.629 37.959-141.587 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.096 37.381-140.967 1.00 0.43 H new ATOM 926 N GLU A 72 56.076 34.992-141.999 1.00 0.36 N ATOM 927 CA GLU A 72 56.749 33.766-141.482 1.00 0.34 C ATOM 928 C GLU A 72 57.977 34.218-140.695 1.00 0.30 C ATOM 929 O GLU A 72 58.170 33.853-139.554 1.00 0.30 O ATOM 930 CB GLU A 72 57.181 32.876-142.650 1.00 0.40 C ATOM 931 CG GLU A 72 57.927 31.655-142.111 1.00 1.23 C ATOM 932 CD GLU A 72 58.559 30.887-143.274 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.815 30.403-144.111 1.00 2.68 O ATOM 934 OE2 GLU A 72 59.775 30.795-143.307 1.00 2.64 O ATOM 0 H GLU A 72 56.024 35.082-143.014 1.00 0.36 H new ATOM 0 HA GLU A 72 56.072 33.194-140.848 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.309 32.559-143.222 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.822 33.436-143.330 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.698 31.968-141.407 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.240 31.008-141.565 1.00 1.23 H new ATOM 941 N LYS A 73 58.805 35.023-141.298 1.00 0.31 N ATOM 942 CA LYS A 73 60.007 35.509-140.572 1.00 0.33 C ATOM 943 C LYS A 73 59.540 35.953-139.187 1.00 0.29 C ATOM 944 O LYS A 73 60.252 35.853-138.198 1.00 0.29 O ATOM 945 CB LYS A 73 60.624 36.689-141.328 1.00 0.38 C ATOM 946 CG LYS A 73 60.980 36.256-142.752 1.00 0.55 C ATOM 947 CD LYS A 73 61.758 37.372-143.449 1.00 1.07 C ATOM 948 CE LYS A 73 63.260 37.132-143.280 1.00 1.38 C ATOM 949 NZ LYS A 73 63.615 37.203-141.835 1.00 2.36 N ATOM 0 H LYS A 73 58.702 35.363-142.254 1.00 0.31 H new ATOM 0 HA LYS A 73 60.764 34.728-140.492 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.923 37.523-141.355 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.517 37.039-140.810 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.577 35.344-142.727 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.072 36.028-143.311 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.501 37.402-144.508 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.484 38.339-143.027 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.531 36.157-143.684 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.824 37.878-143.841 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.608 37.497-141.735 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.000 37.894-141.360 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.485 36.268-141.399 1.00 2.36 H new ATOM 963 N GLU A 74 58.301 36.353-139.106 1.00 0.28 N ATOM 964 CA GLU A 74 57.714 36.722-137.794 1.00 0.28 C ATOM 965 C GLU A 74 57.389 35.405-137.107 1.00 0.26 C ATOM 966 O GLU A 74 57.516 35.245-135.927 1.00 0.27 O ATOM 967 CB GLU A 74 56.429 37.519-138.007 1.00 0.31 C ATOM 968 CG GLU A 74 56.178 38.400-136.787 1.00 0.37 C ATOM 969 CD GLU A 74 54.684 38.406-136.457 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.050 37.381-136.648 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.199 39.436-136.017 1.00 1.11 O ATOM 0 H GLU A 74 57.668 36.440-139.901 1.00 0.28 H new ATOM 0 HA GLU A 74 58.395 37.334-137.203 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.512 38.133-138.903 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.588 36.842-138.161 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.747 38.029-135.935 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.522 39.416-136.982 1.00 0.37 H new ATOM 978 N ALA A 75 56.974 34.465-137.896 1.00 0.25 N ATOM 979 CA ALA A 75 56.651 33.127-137.343 1.00 0.27 C ATOM 980 C ALA A 75 57.921 32.614-136.691 1.00 0.26 C ATOM 981 O ALA A 75 57.985 32.458-135.494 1.00 0.27 O ATOM 982 CB ALA A 75 56.195 32.177-138.454 1.00 0.30 C ATOM 0 H ALA A 75 56.843 34.563-138.903 1.00 0.25 H new ATOM 0 HA ALA A 75 55.835 33.188-136.623 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.963 31.202-138.026 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.306 32.582-138.937 1.00 0.30 H new ATOM 0 HB3 ALA A 75 56.991 32.070-139.191 1.00 0.30 H new ATOM 988 N ARG A 76 58.937 32.347-137.454 1.00 0.28 N ATOM 989 CA ARG A 76 60.189 31.847-136.833 1.00 0.31 C ATOM 990 C ARG A 76 60.499 32.705-135.610 1.00 0.28 C ATOM 991 O ARG A 76 60.750 32.203-134.533 1.00 0.30 O ATOM 992 CB ARG A 76 61.341 31.940-137.835 1.00 0.35 C ATOM 993 CG ARG A 76 61.168 30.868-138.912 1.00 0.66 C ATOM 994 CD ARG A 76 62.498 30.656-139.640 1.00 1.00 C ATOM 995 NE ARG A 76 62.280 29.783-140.828 1.00 1.51 N ATOM 996 CZ ARG A 76 63.191 29.708-141.759 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.293 30.399-141.650 1.00 2.34 N ATOM 998 NH2 ARG A 76 63.001 28.943-142.798 1.00 3.14 N ATOM 0 H ARG A 76 58.957 32.451-138.468 1.00 0.28 H new ATOM 0 HA ARG A 76 60.067 30.805-136.538 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.361 32.930-138.292 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.294 31.806-137.323 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.836 29.933-138.460 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.397 31.171-139.621 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.911 31.615-139.951 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.224 30.199-138.968 1.00 1.00 H new ATOM 0 HE ARG A 76 61.418 29.244-140.913 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.442 30.997-140.837 1.00 2.34 H new ATOM 0 HH12 ARG A 76 65.006 30.341-142.378 1.00 2.34 H new ATOM 0 HH21 ARG A 76 62.140 28.403-142.883 1.00 3.14 H new ATOM 0 HH22 ARG A 76 63.714 28.885-143.526 1.00 3.14 H new ATOM 1012 N LEU A 77 60.483 33.997-135.769 1.00 0.30 N ATOM 1013 CA LEU A 77 60.779 34.881-134.606 1.00 0.31 C ATOM 1014 C LEU A 77 59.839 34.530-133.450 1.00 0.29 C ATOM 1015 O LEU A 77 60.266 34.167-132.374 1.00 0.30 O ATOM 1016 CB LEU A 77 60.585 36.340-135.013 1.00 0.35 C ATOM 1017 CG LEU A 77 61.871 36.850-135.661 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.555 38.058-136.541 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.866 37.259-134.572 1.00 0.38 C ATOM 0 H LEU A 77 60.280 34.478-136.645 1.00 0.30 H new ATOM 0 HA LEU A 77 61.811 34.735-134.286 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.751 36.429-135.710 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.337 36.945-134.141 1.00 0.35 H new ATOM 0 HG LEU A 77 62.306 36.059-136.272 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.473 38.422-137.003 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.848 37.767-137.318 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.118 38.848-135.931 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.783 37.623-135.035 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.431 38.049-133.960 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.093 36.397-133.945 1.00 0.38 H new ATOM 1031 N ILE A 78 58.562 34.631-133.674 1.00 0.29 N ATOM 1032 CA ILE A 78 57.569 34.301-132.611 1.00 0.32 C ATOM 1033 C ILE A 78 57.898 32.938-132.021 1.00 0.30 C ATOM 1034 O ILE A 78 57.913 32.754-130.828 1.00 0.32 O ATOM 1035 CB ILE A 78 56.176 34.261-133.222 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.792 35.670-133.653 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.173 33.750-132.185 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.842 35.594-134.840 1.00 0.37 C ATOM 0 H ILE A 78 58.155 34.932-134.560 1.00 0.29 H new ATOM 0 HA ILE A 78 57.605 35.058-131.827 1.00 0.32 H new ATOM 0 HB ILE A 78 56.167 33.593-134.083 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.317 36.198-132.826 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.684 36.236-133.923 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.176 33.723-132.626 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.457 32.747-131.867 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.170 34.416-131.322 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.566 36.602-135.150 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.333 35.082-135.667 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.945 35.044-134.554 1.00 0.37 H new ATOM 1050 N ARG A 79 58.182 31.989-132.858 1.00 0.29 N ATOM 1051 CA ARG A 79 58.544 30.636-132.340 1.00 0.32 C ATOM 1052 C ARG A 79 59.851 30.763-131.552 1.00 0.26 C ATOM 1053 O ARG A 79 60.127 29.989-130.657 1.00 0.26 O ATOM 1054 CB ARG A 79 58.730 29.664-133.507 1.00 0.38 C ATOM 1055 CG ARG A 79 59.767 28.604-133.131 1.00 0.39 C ATOM 1056 CD ARG A 79 59.546 27.349-133.977 1.00 0.39 C ATOM 1057 NE ARG A 79 60.383 26.237-133.443 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.144 25.008-133.806 1.00 2.14 C ATOM 1059 NH1 ARG A 79 59.172 24.750-134.638 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.877 24.034-133.338 1.00 3.27 N ATOM 0 H ARG A 79 58.181 32.084-133.874 1.00 0.29 H new ATOM 0 HA ARG A 79 57.752 30.253-131.697 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.781 29.188-133.752 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.054 30.205-134.396 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.773 28.991-133.292 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.685 28.360-132.072 1.00 0.39 H new ATOM 0 HD2 ARG A 79 58.493 27.067-133.960 1.00 0.39 H new ATOM 0 HD3 ARG A 79 59.806 27.548-135.017 1.00 0.39 H new ATOM 0 HE ARG A 79 61.143 26.438-132.793 1.00 1.50 H new ATOM 0 HH11 ARG A 79 58.599 25.510-135.004 1.00 2.28 H new ATOM 0 HH12 ARG A 79 58.985 23.788-134.922 1.00 2.28 H new ATOM 0 HH21 ARG A 79 61.637 24.235-132.688 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.690 23.073-133.622 1.00 3.27 H new ATOM 1074 N ASN A 80 60.648 31.753-131.866 1.00 0.23 N ATOM 1075 CA ASN A 80 61.926 31.953-131.123 1.00 0.21 C ATOM 1076 C ASN A 80 61.620 32.725-129.842 1.00 0.21 C ATOM 1077 O ASN A 80 62.333 32.636-128.862 1.00 0.22 O ATOM 1078 CB ASN A 80 62.909 32.747-131.985 1.00 0.23 C ATOM 1079 CG ASN A 80 62.975 32.129-133.383 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.959 32.834-134.372 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.051 30.832-133.507 1.00 1.15 N ATOM 0 H ASN A 80 60.467 32.431-132.606 1.00 0.23 H new ATOM 0 HA ASN A 80 62.375 30.989-130.882 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.593 33.788-132.050 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.898 32.742-131.526 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.097 30.410-134.435 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.064 30.240-132.676 1.00 1.15 H new ATOM 1088 N LEU A 81 60.517 33.419-129.821 1.00 0.23 N ATOM 1089 CA LEU A 81 60.115 34.129-128.582 1.00 0.28 C ATOM 1090 C LEU A 81 59.474 33.064-127.713 1.00 0.30 C ATOM 1091 O LEU A 81 59.870 32.815-126.594 1.00 0.31 O ATOM 1092 CB LEU A 81 59.099 35.227-128.906 1.00 0.35 C ATOM 1093 CG LEU A 81 59.838 36.489-129.355 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.329 36.308-130.792 1.00 1.28 C ATOM 1095 CD2 LEU A 81 58.886 37.685-129.289 1.00 1.26 C ATOM 0 H LEU A 81 59.878 33.524-130.610 1.00 0.23 H new ATOM 0 HA LEU A 81 60.961 34.610-128.090 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.422 34.891-129.691 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.488 35.443-128.029 1.00 0.35 H new ATOM 0 HG LEU A 81 60.691 36.665-128.699 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.856 37.207-131.113 1.00 1.28 H new ATOM 0 HD12 LEU A 81 61.005 35.454-130.841 1.00 1.28 H new ATOM 0 HD13 LEU A 81 59.477 36.133-131.448 1.00 1.28 H new ATOM 0 HD21 LEU A 81 59.410 38.586-129.609 1.00 1.26 H new ATOM 0 HD22 LEU A 81 58.034 37.509-129.946 1.00 1.26 H new ATOM 0 HD23 LEU A 81 58.534 37.814-128.265 1.00 1.26 H new ATOM 1107 N ASN A 82 58.514 32.395-128.273 1.00 0.35 N ATOM 1108 CA ASN A 82 57.848 31.283-127.570 1.00 0.42 C ATOM 1109 C ASN A 82 58.927 30.409-126.946 1.00 0.37 C ATOM 1110 O ASN A 82 58.980 30.232-125.747 1.00 0.38 O ATOM 1111 CB ASN A 82 57.040 30.490-128.605 1.00 0.51 C ATOM 1112 CG ASN A 82 55.643 31.097-128.739 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.469 32.290-128.586 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.631 30.321-129.019 1.00 0.98 N ATOM 0 H ASN A 82 58.158 32.580-129.211 1.00 0.35 H new ATOM 0 HA ASN A 82 57.179 31.639-126.787 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.549 30.507-129.569 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.966 29.446-128.301 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.695 30.716-129.109 1.00 0.98 H new ATOM 0 HD22 ASN A 82 54.776 29.320-129.148 1.00 0.98 H new ATOM 1121 N VAL A 83 59.804 29.881-127.749 1.00 0.35 N ATOM 1122 CA VAL A 83 60.899 29.042-127.198 1.00 0.36 C ATOM 1123 C VAL A 83 61.610 29.838-126.103 1.00 0.32 C ATOM 1124 O VAL A 83 61.759 29.382-124.992 1.00 0.35 O ATOM 1125 CB VAL A 83 61.892 28.703-128.312 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.145 28.071-127.705 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.245 27.718-129.288 1.00 0.44 C ATOM 0 H VAL A 83 59.810 29.994-128.763 1.00 0.35 H new ATOM 0 HA VAL A 83 60.495 28.116-126.788 1.00 0.36 H new ATOM 0 HB VAL A 83 62.167 29.614-128.843 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.852 27.830-128.499 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.606 28.772-127.010 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.872 27.160-127.173 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.951 27.476-130.082 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.970 26.807-128.757 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.352 28.169-129.722 1.00 0.44 H new ATOM 1137 N ILE A 84 62.046 31.028-126.413 1.00 0.27 N ATOM 1138 CA ILE A 84 62.740 31.837-125.377 1.00 0.30 C ATOM 1139 C ILE A 84 61.955 31.731-124.070 1.00 0.31 C ATOM 1140 O ILE A 84 62.500 31.431-123.023 1.00 0.37 O ATOM 1141 CB ILE A 84 62.806 33.295-125.806 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.946 33.472-126.802 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.064 34.174-124.579 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.680 34.711-127.644 1.00 0.37 C ATOM 0 H ILE A 84 61.953 31.469-127.328 1.00 0.27 H new ATOM 0 HA ILE A 84 63.755 31.463-125.243 1.00 0.30 H new ATOM 0 HB ILE A 84 61.863 33.585-126.270 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.895 33.572-126.275 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.028 32.593-127.441 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.112 35.219-124.884 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.255 34.042-123.860 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.009 33.887-124.118 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.491 34.846-128.360 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.739 34.591-128.180 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.619 35.585-126.996 1.00 0.37 H new ATOM 1156 N LEU A 85 60.675 31.983-124.121 1.00 0.35 N ATOM 1157 CA LEU A 85 59.849 31.908-122.881 1.00 0.42 C ATOM 1158 C LEU A 85 59.822 30.474-122.355 1.00 0.42 C ATOM 1159 O LEU A 85 59.919 30.241-121.169 1.00 0.47 O ATOM 1160 CB LEU A 85 58.425 32.372-123.188 1.00 0.54 C ATOM 1161 CG LEU A 85 58.344 33.890-123.025 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.626 34.257-121.568 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.386 34.556-123.924 1.00 0.61 C ATOM 0 H LEU A 85 60.165 32.237-124.967 1.00 0.35 H new ATOM 0 HA LEU A 85 60.286 32.555-122.120 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.148 32.088-124.203 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.718 31.884-122.517 1.00 0.54 H new ATOM 0 HG LEU A 85 57.348 34.234-123.305 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.569 35.339-121.448 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.887 33.781-120.923 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.623 33.913-121.293 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.328 35.638-123.808 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.382 34.213-123.642 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.192 34.292-124.964 1.00 0.61 H new ATOM 1175 N ALA A 86 59.694 29.512-123.221 1.00 0.47 N ATOM 1176 CA ALA A 86 59.670 28.098-122.757 1.00 0.58 C ATOM 1177 C ALA A 86 61.056 27.734-122.218 1.00 0.59 C ATOM 1178 O ALA A 86 61.230 26.759-121.514 1.00 0.73 O ATOM 1179 CB ALA A 86 59.319 27.182-123.931 1.00 0.64 C ATOM 0 H ALA A 86 59.605 29.642-124.229 1.00 0.47 H new ATOM 0 HA ALA A 86 58.923 27.975-121.972 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.301 26.146-123.592 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.338 27.452-124.323 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.067 27.294-124.716 1.00 0.64 H new ATOM 1185 N LYS A 87 62.043 28.514-122.563 1.00 0.50 N ATOM 1186 CA LYS A 87 63.432 28.238-122.102 1.00 0.60 C ATOM 1187 C LYS A 87 63.624 28.799-120.699 1.00 0.58 C ATOM 1188 O LYS A 87 64.147 28.143-119.821 1.00 0.71 O ATOM 1189 CB LYS A 87 64.410 28.925-123.050 1.00 0.61 C ATOM 1190 CG LYS A 87 65.760 28.209-123.006 1.00 0.82 C ATOM 1191 CD LYS A 87 66.773 28.980-123.854 1.00 0.99 C ATOM 1192 CE LYS A 87 66.655 28.543-125.315 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.807 29.083-126.090 1.00 2.02 N ATOM 0 H LYS A 87 61.944 29.341-123.152 1.00 0.50 H new ATOM 0 HA LYS A 87 63.609 27.163-122.091 1.00 0.60 H new ATOM 0 HB2 LYS A 87 64.015 28.914-124.066 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.533 29.970-122.767 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.112 28.136-121.977 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.656 27.191-123.380 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.594 30.052-123.769 1.00 0.99 H new ATOM 0 HD3 LYS A 87 67.783 28.796-123.489 1.00 0.99 H new ATOM 0 HE2 LYS A 87 66.637 27.455-125.380 1.00 1.63 H new ATOM 0 HE3 LYS A 87 65.717 28.903-125.739 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 67.727 28.786-127.083 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.804 30.122-126.038 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.695 28.719-125.690 1.00 2.02 H new ATOM 1207 N TYR A 88 63.182 30.002-120.476 1.00 0.45 N ATOM 1208 CA TYR A 88 63.320 30.587-119.117 1.00 0.47 C ATOM 1209 C TYR A 88 62.191 30.033-118.263 1.00 0.54 C ATOM 1210 O TYR A 88 62.258 29.997-117.050 1.00 0.58 O ATOM 1211 CB TYR A 88 63.223 32.113-119.189 1.00 0.44 C ATOM 1212 CG TYR A 88 64.502 32.664-119.773 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.591 32.937-118.936 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.600 32.898-121.149 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.778 33.444-119.477 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.788 33.404-121.690 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.877 33.677-120.854 1.00 0.61 C ATOM 1218 OH TYR A 88 68.048 34.174-121.388 1.00 0.73 O ATOM 0 H TYR A 88 62.735 30.602-121.169 1.00 0.45 H new ATOM 0 HA TYR A 88 64.288 30.330-118.687 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.372 32.407-119.804 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.055 32.526-118.194 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.515 32.756-117.874 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.759 32.688-121.794 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.618 33.656-118.832 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.864 33.584-122.752 1.00 0.62 H new ATOM 0 HH TYR A 88 68.138 33.873-122.316 1.00 0.73 H new ATOM 1228 N GLY A 89 61.138 29.626-118.906 1.00 0.59 N ATOM 1229 CA GLY A 89 59.968 29.095-118.159 1.00 0.69 C ATOM 1230 C GLY A 89 59.135 30.283-117.697 1.00 0.77 C ATOM 1231 O GLY A 89 58.671 30.341-116.576 1.00 1.09 O ATOM 0 H GLY A 89 61.036 29.638-119.921 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.376 28.437-118.794 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.296 28.503-117.305 1.00 0.69 H new ATOM 1235 N LEU A 90 58.948 31.236-118.565 1.00 0.65 N ATOM 1236 CA LEU A 90 58.156 32.436-118.215 1.00 0.75 C ATOM 1237 C LEU A 90 57.059 32.629-119.262 1.00 0.80 C ATOM 1238 O LEU A 90 56.812 33.727-119.720 1.00 1.31 O ATOM 1239 CB LEU A 90 59.082 33.650-118.222 1.00 0.82 C ATOM 1240 CG LEU A 90 58.897 34.436-116.934 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.618 35.777-117.061 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.403 34.669-116.703 1.00 1.68 C ATOM 0 H LEU A 90 59.318 31.230-119.516 1.00 0.65 H new ATOM 0 HA LEU A 90 57.705 32.319-117.230 1.00 0.75 H new ATOM 0 HB2 LEU A 90 60.119 33.329-118.319 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.863 34.283-119.082 1.00 0.82 H new ATOM 0 HG LEU A 90 59.311 33.882-116.092 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.490 36.347-116.141 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.680 35.604-117.236 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.199 36.338-117.897 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.261 35.232-115.781 1.00 1.68 H new ATOM 0 HD22 LEU A 90 56.989 35.232-117.540 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.893 33.709-116.624 1.00 1.68 H new