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 52 GLN : amide:sc= -14.2! C(o=-20!,f=-28!) USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -5.92! C(o=-23!,f=-20!) USER MOD Set 2.1: A 22 MET CE :methyl 177:sc= -0.489 (180deg=-0.263) USER MOD Set 2.2: A 24 LYS NZ :NH3+ -174:sc= 0.172 (180deg=0.231) USER MOD Single : A 26 ASN : amide:sc= -4.23! C(o=-4.2!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0112 F(o=-0.88,f=-0.011) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.389 F(o=-1.5,f=-0.39) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -1.24 F(o=-5.4!,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= -0.451 (180deg=-2.14!) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -0.734 (180deg=-2.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 166:sc= -8.83! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.570 50.147-124.004 1.00 0.57 N ATOM 24 CA GLU A 19 64.543 49.036-124.231 1.00 0.55 C ATOM 25 C GLU A 19 64.432 48.571-125.686 1.00 0.56 C ATOM 26 O GLU A 19 65.370 48.657-126.453 1.00 0.63 O ATOM 27 CB GLU A 19 64.232 47.871-123.282 1.00 0.45 C ATOM 28 CG GLU A 19 62.814 47.349-123.530 1.00 0.38 C ATOM 29 CD GLU A 19 61.836 48.522-123.611 1.00 1.26 C ATOM 30 OE1 GLU A 19 61.857 49.349-122.714 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.083 48.575-124.570 1.00 2.06 O ATOM 0 HA GLU A 19 65.557 49.385-124.034 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.954 47.068-123.432 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.330 48.199-122.247 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.785 46.775-124.456 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.520 46.673-122.727 1.00 0.38 H new ATOM 38 N PHE A 20 63.279 48.105-126.071 1.00 0.51 N ATOM 39 CA PHE A 20 63.072 47.660-127.478 1.00 0.54 C ATOM 40 C PHE A 20 62.029 48.569-128.113 1.00 0.55 C ATOM 41 O PHE A 20 61.709 49.613-127.580 1.00 0.57 O ATOM 42 CB PHE A 20 62.559 46.221-127.496 1.00 0.52 C ATOM 43 CG PHE A 20 63.474 45.354-126.673 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.817 45.209-127.033 1.00 0.80 C ATOM 45 CD2 PHE A 20 62.975 44.703-125.545 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.663 44.407-126.259 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.818 43.901-124.768 1.00 0.51 C ATOM 48 CZ PHE A 20 65.163 43.754-125.124 1.00 0.56 C ATOM 0 H PHE A 20 62.463 48.012-125.467 1.00 0.51 H new ATOM 0 HA PHE A 20 64.012 47.709-128.027 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.545 46.180-127.098 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.514 45.852-128.521 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.201 45.715-127.907 1.00 0.80 H new ATOM 0 HD2 PHE A 20 61.937 44.818-125.271 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.700 44.291-126.536 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.431 43.396-123.895 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.816 43.137-124.524 1.00 0.56 H new ATOM 58 N ARG A 21 61.479 48.198-129.233 1.00 0.57 N ATOM 59 CA ARG A 21 60.449 49.063-129.866 1.00 0.60 C ATOM 60 C ARG A 21 59.209 48.216-130.129 1.00 0.57 C ATOM 61 O ARG A 21 58.255 48.654-130.740 1.00 0.59 O ATOM 62 CB ARG A 21 60.981 49.597-131.191 1.00 0.69 C ATOM 63 CG ARG A 21 62.302 50.333-130.956 1.00 0.74 C ATOM 64 CD ARG A 21 62.611 51.224-132.161 1.00 0.82 C ATOM 65 NE ARG A 21 63.561 52.298-131.752 1.00 1.35 N ATOM 66 CZ ARG A 21 64.194 52.989-132.660 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.996 52.741-133.926 1.00 2.06 N ATOM 68 NH2 ARG A 21 65.027 53.927-132.301 1.00 2.72 N ATOM 0 H ARG A 21 61.697 47.337-129.735 1.00 0.57 H new ATOM 0 HA ARG A 21 60.206 49.900-129.211 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.131 48.776-131.892 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.253 50.271-131.641 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.238 50.937-130.051 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.108 49.615-130.804 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.042 50.629-132.966 1.00 0.82 H new ATOM 0 HD3 ARG A 21 61.692 51.664-132.547 1.00 0.82 H new ATOM 0 HE ARG A 21 63.716 52.492-130.763 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.346 52.007-134.206 1.00 2.06 H new ATOM 0 HH12 ARG A 21 64.491 53.282-134.635 1.00 2.06 H new ATOM 0 HH21 ARG A 21 65.183 54.119-131.311 1.00 2.72 H new ATOM 0 HH22 ARG A 21 65.522 54.468-133.010 1.00 2.72 H new ATOM 82 N MET A 22 59.223 47.000-129.663 1.00 0.54 N ATOM 83 CA MET A 22 58.056 46.102-129.867 1.00 0.55 C ATOM 84 C MET A 22 57.310 45.937-128.541 1.00 0.49 C ATOM 85 O MET A 22 57.904 45.708-127.502 1.00 0.63 O ATOM 86 CB MET A 22 58.540 44.737-130.353 1.00 0.61 C ATOM 87 CG MET A 22 59.115 44.871-131.764 1.00 0.71 C ATOM 88 SD MET A 22 57.761 45.035-132.954 1.00 1.14 S ATOM 89 CE MET A 22 58.278 43.706-134.068 1.00 1.25 C ATOM 0 H MET A 22 59.999 46.587-129.146 1.00 0.54 H new ATOM 0 HA MET A 22 57.388 46.534-130.612 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.299 44.346-129.675 1.00 0.61 H new ATOM 0 HB3 MET A 22 57.715 44.025-130.352 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.770 45.740-131.820 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.722 43.998-132.005 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.542 43.592-134.864 1.00 1.25 H new ATOM 0 HE2 MET A 22 59.247 43.951-134.502 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.356 42.773-133.510 1.00 1.25 H new ATOM 99 N GLU A 23 56.014 46.061-128.568 1.00 0.47 N ATOM 100 CA GLU A 23 55.229 45.927-127.312 1.00 0.46 C ATOM 101 C GLU A 23 55.373 44.517-126.742 1.00 0.50 C ATOM 102 O GLU A 23 55.487 44.339-125.545 1.00 0.50 O ATOM 103 CB GLU A 23 53.755 46.220-127.596 1.00 0.50 C ATOM 104 CG GLU A 23 53.606 47.662-128.086 1.00 1.45 C ATOM 105 CD GLU A 23 52.134 47.953-128.379 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.325 47.057-128.197 1.00 2.48 O ATOM 107 OE2 GLU A 23 51.839 49.067-128.782 1.00 2.68 O ATOM 0 H GLU A 23 55.464 46.249-129.406 1.00 0.47 H new ATOM 0 HA GLU A 23 55.609 46.641-126.581 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.374 45.528-128.347 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.163 46.068-126.694 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.981 48.354-127.332 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.204 47.815-128.985 1.00 1.45 H new ATOM 114 N LYS A 24 55.371 43.507-127.569 1.00 0.54 N ATOM 115 CA LYS A 24 55.510 42.126-127.035 1.00 0.59 C ATOM 116 C LYS A 24 56.765 42.044-126.177 1.00 0.53 C ATOM 117 O LYS A 24 56.720 41.636-125.031 1.00 0.55 O ATOM 118 CB LYS A 24 55.623 41.137-128.195 1.00 0.67 C ATOM 119 CG LYS A 24 56.648 41.658-129.202 1.00 0.64 C ATOM 120 CD LYS A 24 56.558 40.841-130.493 1.00 0.77 C ATOM 121 CE LYS A 24 55.412 41.375-131.355 1.00 1.46 C ATOM 122 NZ LYS A 24 55.964 42.245-132.432 1.00 2.09 N ATOM 0 H LYS A 24 55.280 43.579-128.582 1.00 0.54 H new ATOM 0 HA LYS A 24 54.636 41.879-126.433 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.925 40.157-127.825 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.653 41.011-128.677 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.464 42.711-129.412 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.652 41.588-128.784 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.498 40.902-131.041 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.392 39.789-130.260 1.00 0.77 H new ATOM 0 HE2 LYS A 24 54.855 40.546-131.792 1.00 1.46 H new ATOM 0 HE3 LYS A 24 54.712 41.940-130.739 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 55.182 42.689-132.955 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.561 42.984-132.009 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 56.534 41.670-133.085 1.00 2.09 H new ATOM 136 N LEU A 25 57.890 42.426-126.712 1.00 0.47 N ATOM 137 CA LEU A 25 59.149 42.371-125.926 1.00 0.42 C ATOM 138 C LEU A 25 59.022 43.236-124.679 1.00 0.39 C ATOM 139 O LEU A 25 59.235 42.784-123.585 1.00 0.55 O ATOM 140 CB LEU A 25 60.292 42.923-126.777 1.00 0.43 C ATOM 141 CG LEU A 25 60.903 41.819-127.635 1.00 0.57 C ATOM 142 CD1 LEU A 25 60.872 42.245-129.105 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.353 41.603-127.198 1.00 1.03 C ATOM 0 H LEU A 25 57.990 42.775-127.665 1.00 0.47 H new ATOM 0 HA LEU A 25 59.345 41.338-125.640 1.00 0.42 H new ATOM 0 HB2 LEU A 25 59.923 43.725-127.416 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.057 43.356-126.132 1.00 0.43 H new ATOM 0 HG LEU A 25 60.337 40.895-127.514 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.308 41.458-129.721 1.00 0.92 H new ATOM 0 HD12 LEU A 25 59.840 42.417-129.412 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.446 43.163-129.230 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.802 40.816-127.804 1.00 1.03 H new ATOM 0 HD22 LEU A 25 62.915 42.528-127.330 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.377 41.311-126.148 1.00 1.03 H new ATOM 155 N ASN A 26 58.701 44.486-124.847 1.00 0.39 N ATOM 156 CA ASN A 26 58.593 45.372-123.652 1.00 0.37 C ATOM 157 C ASN A 26 57.752 44.655-122.597 1.00 0.40 C ATOM 158 O ASN A 26 58.186 44.404-121.491 1.00 0.40 O ATOM 159 CB ASN A 26 57.924 46.694-124.018 1.00 0.41 C ATOM 160 CG ASN A 26 58.542 47.246-125.303 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.259 46.549-125.994 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.297 48.478-125.655 1.00 0.45 N ATOM 0 H ASN A 26 58.511 44.930-125.745 1.00 0.39 H new ATOM 0 HA ASN A 26 59.591 45.587-123.270 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.853 46.545-124.153 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.047 47.412-123.207 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.707 48.855-126.509 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.695 49.064-125.076 1.00 0.45 H new ATOM 169 N GLN A 27 56.542 44.344-122.946 1.00 0.44 N ATOM 170 CA GLN A 27 55.634 43.661-121.985 1.00 0.50 C ATOM 171 C GLN A 27 56.383 42.519-121.301 1.00 0.47 C ATOM 172 O GLN A 27 56.372 42.401-120.092 1.00 0.48 O ATOM 173 CB GLN A 27 54.416 43.108-122.730 1.00 0.59 C ATOM 174 CG GLN A 27 53.423 44.241-122.996 1.00 0.58 C ATOM 175 CD GLN A 27 52.332 44.227-121.923 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.442 43.523-120.939 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.276 44.978-122.073 1.00 2.02 N ATOM 0 H GLN A 27 56.136 44.534-123.862 1.00 0.44 H new ATOM 0 HA GLN A 27 55.299 44.375-121.233 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.727 42.654-123.671 1.00 0.59 H new ATOM 0 HB3 GLN A 27 53.941 42.324-122.140 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.940 45.201-122.991 1.00 0.58 H new ATOM 0 HG3 GLN A 27 52.978 44.124-123.984 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.184 45.569-122.899 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.543 44.974-121.364 1.00 2.02 H new ATOM 186 N LEU A 28 57.039 41.675-122.051 1.00 0.47 N ATOM 187 CA LEU A 28 57.788 40.548-121.415 1.00 0.47 C ATOM 188 C LEU A 28 58.995 41.110-120.662 1.00 0.39 C ATOM 189 O LEU A 28 59.460 40.553-119.686 1.00 0.50 O ATOM 190 CB LEU A 28 58.271 39.582-122.499 1.00 0.50 C ATOM 191 CG LEU A 28 57.138 38.627-122.874 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.192 38.332-124.373 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.295 37.320-122.092 1.00 1.21 C ATOM 0 H LEU A 28 57.090 41.714-123.069 1.00 0.47 H new ATOM 0 HA LEU A 28 57.135 40.018-120.721 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.597 40.139-123.378 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.132 39.018-122.141 1.00 0.50 H new ATOM 0 HG LEU A 28 56.180 39.086-122.629 1.00 0.62 H new ATOM 0 HD11 LEU A 28 56.384 37.651-124.639 1.00 1.41 H new ATOM 0 HD12 LEU A 28 57.082 39.262-124.931 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.149 37.873-124.619 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.488 36.638-122.358 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.253 36.862-122.337 1.00 1.21 H new ATOM 0 HD23 LEU A 28 57.256 37.529-121.023 1.00 1.21 H new ATOM 205 N TRP A 29 59.494 42.220-121.117 1.00 0.37 N ATOM 206 CA TRP A 29 60.663 42.847-120.449 1.00 0.30 C ATOM 207 C TRP A 29 60.229 43.262-119.056 1.00 0.36 C ATOM 208 O TRP A 29 60.740 42.777-118.053 1.00 0.39 O ATOM 209 CB TRP A 29 61.121 44.073-121.240 1.00 0.32 C ATOM 210 CG TRP A 29 62.311 44.691-120.583 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.472 46.015-120.398 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.505 44.051-120.032 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.680 46.238-119.767 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.354 45.059-119.517 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.932 42.712-119.924 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.576 44.755-118.920 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.162 42.403-119.323 1.00 0.37 C ATOM 218 CH2 TRP A 29 65.982 43.422-118.820 1.00 0.41 C ATOM 0 H TRP A 29 59.140 42.724-121.930 1.00 0.37 H new ATOM 0 HA TRP A 29 61.495 42.145-120.397 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.368 43.785-122.262 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.311 44.800-121.301 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.769 46.780-120.695 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.032 47.162-119.516 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.308 41.918-120.307 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.205 45.545-118.537 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.479 41.373-119.248 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.926 43.177-118.356 1.00 0.41 H new ATOM 229 N GLU A 30 59.268 44.134-118.976 1.00 0.45 N ATOM 230 CA GLU A 30 58.764 44.564-117.655 1.00 0.56 C ATOM 231 C GLU A 30 58.357 43.323-116.865 1.00 0.50 C ATOM 232 O GLU A 30 58.591 43.217-115.678 1.00 0.52 O ATOM 233 CB GLU A 30 57.539 45.459-117.869 1.00 0.68 C ATOM 234 CG GLU A 30 57.991 46.909-118.054 1.00 0.86 C ATOM 235 CD GLU A 30 56.794 47.770-118.462 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.731 47.210-118.669 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.962 48.974-118.561 1.00 2.06 O ATOM 0 H GLU A 30 58.809 44.568-119.777 1.00 0.45 H new ATOM 0 HA GLU A 30 59.531 45.114-117.109 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.981 45.127-118.744 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.866 45.383-117.015 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.425 47.286-117.128 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.768 46.964-118.816 1.00 0.86 H new ATOM 244 N LYS A 31 57.752 42.376-117.531 1.00 0.46 N ATOM 245 CA LYS A 31 57.329 41.127-116.844 1.00 0.45 C ATOM 246 C LYS A 31 58.542 40.489-116.173 1.00 0.43 C ATOM 247 O LYS A 31 58.533 40.205-114.989 1.00 0.46 O ATOM 248 CB LYS A 31 56.744 40.157-117.872 1.00 0.44 C ATOM 249 CG LYS A 31 55.353 39.706-117.425 1.00 0.91 C ATOM 250 CD LYS A 31 54.943 38.457-118.211 1.00 0.99 C ATOM 251 CE LYS A 31 54.971 38.759-119.712 1.00 1.36 C ATOM 252 NZ LYS A 31 53.773 38.155-120.362 1.00 2.08 N ATOM 0 H LYS A 31 57.533 42.417-118.526 1.00 0.46 H new ATOM 0 HA LYS A 31 56.574 41.357-116.092 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.684 40.639-118.848 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.398 39.292-117.983 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.355 39.492-116.356 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.630 40.505-117.589 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.620 37.634-117.983 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.944 38.140-117.913 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.983 39.836-119.877 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.881 38.358-120.158 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.791 38.360-121.382 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.780 37.125-120.215 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.911 38.558-119.943 1.00 2.08 H new ATOM 266 N ALA A 32 59.597 40.261-116.910 1.00 0.41 N ATOM 267 CA ALA A 32 60.789 39.645-116.276 1.00 0.41 C ATOM 268 C ALA A 32 61.198 40.507-115.089 1.00 0.41 C ATOM 269 O ALA A 32 61.161 40.064-113.955 1.00 0.42 O ATOM 270 CB ALA A 32 61.942 39.562-117.276 1.00 0.42 C ATOM 0 H ALA A 32 59.681 40.471-117.904 1.00 0.41 H new ATOM 0 HA ALA A 32 60.549 38.634-115.947 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.809 39.108-116.795 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.641 38.954-118.129 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.200 40.564-117.617 1.00 0.42 H new ATOM 276 N GLN A 33 61.583 41.742-115.304 1.00 0.43 N ATOM 277 CA GLN A 33 61.970 42.573-114.135 1.00 0.47 C ATOM 278 C GLN A 33 60.935 42.364-113.037 1.00 0.49 C ATOM 279 O GLN A 33 61.257 42.287-111.869 1.00 0.53 O ATOM 280 CB GLN A 33 62.010 44.047-114.542 1.00 0.51 C ATOM 281 CG GLN A 33 63.087 44.253-115.611 1.00 0.53 C ATOM 282 CD GLN A 33 62.870 45.599-116.303 1.00 0.75 C ATOM 283 OE1 GLN A 33 61.993 45.691-117.265 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.505 46.579-115.965 1.00 1.23 N flip ATOM 0 H GLN A 33 61.644 42.196-116.215 1.00 0.43 H new ATOM 0 HA GLN A 33 62.958 42.284-113.776 1.00 0.47 H new ATOM 0 HB2 GLN A 33 61.038 44.356-114.926 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.222 44.670-113.673 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.077 44.222-115.156 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.047 43.446-116.342 1.00 0.53 H new ATOM 0 HE21 GLN A 33 64.191 46.508-115.213 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.352 47.472-116.433 1.00 1.23 H new ATOM 293 N ARG A 34 59.690 42.255-113.408 1.00 0.49 N ATOM 294 CA ARG A 34 58.633 42.030-112.390 1.00 0.52 C ATOM 295 C ARG A 34 58.954 40.747-111.642 1.00 0.52 C ATOM 296 O ARG A 34 58.766 40.649-110.445 1.00 0.55 O ATOM 297 CB ARG A 34 57.277 41.898-113.076 1.00 0.56 C ATOM 298 CG ARG A 34 56.391 43.085-112.695 1.00 0.67 C ATOM 299 CD ARG A 34 55.797 42.855-111.304 1.00 1.59 C ATOM 300 NE ARG A 34 54.377 42.422-111.435 1.00 1.96 N ATOM 301 CZ ARG A 34 53.762 41.887-110.416 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.390 41.731-109.283 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.519 41.508-110.530 1.00 3.58 N ATOM 0 H ARG A 34 59.361 42.312-114.372 1.00 0.49 H new ATOM 0 HA ARG A 34 58.596 42.870-111.697 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.407 41.861-114.158 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.798 40.964-112.781 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.975 44.006-112.705 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.593 43.206-113.427 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.372 42.097-110.772 1.00 1.59 H new ATOM 0 HD3 ARG A 34 55.856 43.771-110.716 1.00 1.59 H new ATOM 0 HE ARG A 34 53.886 42.544-112.321 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.362 42.027-109.194 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.909 41.313-108.487 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.028 41.630-111.416 1.00 3.58 H new ATOM 0 HH22 ARG A 34 52.038 41.090-109.734 1.00 3.58 H new ATOM 317 N LEU A 35 59.482 39.775-112.327 1.00 0.50 N ATOM 318 CA LEU A 35 59.864 38.522-111.634 1.00 0.54 C ATOM 319 C LEU A 35 61.147 38.824-110.876 1.00 0.55 C ATOM 320 O LEU A 35 61.575 38.088-110.009 1.00 0.61 O ATOM 321 CB LEU A 35 60.110 37.412-112.657 1.00 0.57 C ATOM 322 CG LEU A 35 58.789 36.711-112.971 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.820 37.710-113.606 1.00 1.20 C ATOM 324 CD2 LEU A 35 59.045 35.561-113.943 1.00 0.84 C ATOM 0 H LEU A 35 59.664 39.795-113.330 1.00 0.50 H new ATOM 0 HA LEU A 35 59.076 38.186-110.961 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.538 37.830-113.568 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.831 36.695-112.266 1.00 0.57 H new ATOM 0 HG LEU A 35 58.355 36.321-112.050 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.878 37.210-113.830 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.639 38.532-112.913 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.252 38.100-114.528 1.00 1.20 H new ATOM 0 HD21 LEU A 35 58.104 35.059-114.169 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.478 35.952-114.864 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.736 34.850-113.491 1.00 0.84 H new ATOM 336 N HIS A 36 61.750 39.931-111.210 1.00 0.53 N ATOM 337 CA HIS A 36 63.012 40.352-110.533 1.00 0.58 C ATOM 338 C HIS A 36 64.124 39.326-110.770 1.00 0.49 C ATOM 339 O HIS A 36 64.612 38.696-109.852 1.00 1.37 O ATOM 340 CB HIS A 36 62.764 40.496-109.029 1.00 0.98 C ATOM 341 CG HIS A 36 62.258 41.882-108.733 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.133 42.555-109.141 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.946 42.759-107.909 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 61.120 43.829-108.580 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.235 43.900-107.847 1.00 2.17 N flip ATOM 0 H HIS A 36 61.419 40.571-111.932 1.00 0.53 H new ATOM 0 HA HIS A 36 63.326 41.309-110.950 1.00 0.58 H new ATOM 0 HB2 HIS A 36 62.038 39.754-108.697 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.686 40.309-108.478 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.416 42.179-109.761 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.882 42.562-107.408 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.370 44.595-108.709 1.00 2.32 H new ATOM 353 N LEU A 37 64.516 39.149-111.998 1.00 0.59 N ATOM 354 CA LEU A 37 65.586 38.151-112.286 1.00 0.43 C ATOM 355 C LEU A 37 66.942 38.842-112.119 1.00 0.44 C ATOM 356 O LEU A 37 67.154 39.924-112.628 1.00 0.42 O ATOM 357 CB LEU A 37 65.493 37.649-113.728 1.00 0.53 C ATOM 358 CG LEU A 37 64.051 37.303-114.088 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.387 38.520-114.734 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.049 36.145-115.086 1.00 0.82 C ATOM 0 H LEU A 37 64.148 39.645-112.809 1.00 0.59 H new ATOM 0 HA LEU A 37 65.472 37.308-111.605 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.870 38.412-114.409 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.125 36.770-113.854 1.00 0.53 H new ATOM 0 HG LEU A 37 63.505 37.019-113.188 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.356 38.277-114.993 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.398 39.355-114.034 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.933 38.796-115.636 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.022 35.892-115.348 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.591 36.439-115.985 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.533 35.277-114.638 1.00 0.82 H new ATOM 372 N PRO A 38 67.857 38.230-111.409 1.00 0.57 N ATOM 373 CA PRO A 38 69.194 38.837-111.198 1.00 0.66 C ATOM 374 C PRO A 38 69.771 39.359-112.507 1.00 0.58 C ATOM 375 O PRO A 38 69.414 38.897-113.565 1.00 0.52 O ATOM 376 CB PRO A 38 70.011 37.656-110.675 1.00 0.81 C ATOM 377 CG PRO A 38 69.039 36.534-110.279 1.00 0.82 C ATOM 378 CD PRO A 38 67.635 36.900-110.782 1.00 0.69 C ATOM 0 HA PRO A 38 69.182 39.694-110.524 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.704 37.305-111.440 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.610 37.959-109.817 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.360 35.586-110.711 1.00 0.82 H new ATOM 0 HG3 PRO A 38 69.031 36.405-109.197 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.257 36.171-111.499 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.912 36.950-109.968 1.00 0.69 H new ATOM 386 N PRO A 39 70.651 40.311-112.444 1.00 0.62 N ATOM 387 CA PRO A 39 71.255 40.863-113.677 1.00 0.60 C ATOM 388 C PRO A 39 71.777 39.750-114.584 1.00 0.53 C ATOM 389 O PRO A 39 71.516 39.720-115.759 1.00 0.51 O ATOM 390 CB PRO A 39 72.398 41.721-113.129 1.00 0.74 C ATOM 391 CG PRO A 39 72.272 41.791-111.599 1.00 0.81 C ATOM 392 CD PRO A 39 71.110 40.892-111.158 1.00 0.74 C ATOM 0 HA PRO A 39 70.552 41.422-114.295 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.360 41.293-113.410 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.358 42.722-113.558 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.200 41.466-111.128 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.096 42.819-111.281 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.435 40.123-110.458 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.321 41.460-110.664 1.00 0.74 H new ATOM 400 N VAL A 40 72.548 38.862-114.037 1.00 0.52 N ATOM 401 CA VAL A 40 73.140 37.757-114.840 1.00 0.47 C ATOM 402 C VAL A 40 72.052 37.024-115.618 1.00 0.41 C ATOM 403 O VAL A 40 72.098 36.909-116.835 1.00 0.37 O ATOM 404 CB VAL A 40 73.843 36.779-113.893 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.834 35.774-113.331 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.941 36.031-114.651 1.00 0.50 C ATOM 0 H VAL A 40 72.800 38.852-113.049 1.00 0.52 H new ATOM 0 HA VAL A 40 73.856 38.170-115.551 1.00 0.47 H new ATOM 0 HB VAL A 40 74.285 37.339-113.069 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.344 35.083-112.659 1.00 0.50 H new ATOM 0 HG12 VAL A 40 72.057 36.307-112.783 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.382 35.215-114.151 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.440 35.336-113.976 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.499 35.478-115.480 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.667 36.746-115.038 1.00 0.50 H new ATOM 416 N ARG A 41 71.061 36.538-114.938 1.00 0.42 N ATOM 417 CA ARG A 41 69.972 35.822-115.645 1.00 0.40 C ATOM 418 C ARG A 41 69.145 36.839-116.411 1.00 0.34 C ATOM 419 O ARG A 41 68.474 36.517-117.375 1.00 0.30 O ATOM 420 CB ARG A 41 69.085 35.098-114.629 1.00 0.46 C ATOM 421 CG ARG A 41 68.012 34.297-115.368 1.00 0.87 C ATOM 422 CD ARG A 41 67.085 33.625-114.354 1.00 1.00 C ATOM 423 NE ARG A 41 67.899 32.862-113.366 1.00 1.53 N ATOM 424 CZ ARG A 41 67.358 32.457-112.250 1.00 2.18 C ATOM 425 NH1 ARG A 41 66.105 32.719-112.000 1.00 2.54 N ATOM 426 NH2 ARG A 41 68.070 31.789-111.384 1.00 3.12 N ATOM 0 H ARG A 41 70.957 36.604-113.926 1.00 0.42 H new ATOM 0 HA ARG A 41 70.393 35.088-116.332 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.689 34.433-114.011 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.618 35.820-113.959 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.438 34.955-116.021 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.479 33.545-116.004 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.483 34.376-113.842 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.393 32.956-114.865 1.00 1.00 H new ATOM 0 HE ARG A 41 68.879 32.657-113.562 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.548 33.240-112.677 1.00 2.54 H new ATOM 0 HH12 ARG A 41 65.682 32.402-111.128 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.050 31.583-111.580 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.647 31.473-110.512 1.00 3.12 H new ATOM 440 N LEU A 42 69.201 38.077-116.005 1.00 0.35 N ATOM 441 CA LEU A 42 68.424 39.104-116.738 1.00 0.30 C ATOM 442 C LEU A 42 69.211 39.496-117.976 1.00 0.31 C ATOM 443 O LEU A 42 68.659 39.957-118.946 1.00 0.49 O ATOM 444 CB LEU A 42 68.151 40.324-115.862 1.00 0.32 C ATOM 445 CG LEU A 42 66.886 41.023-116.377 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.642 40.290-115.881 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.847 42.462-115.862 1.00 0.60 C ATOM 0 H LEU A 42 69.743 38.415-115.210 1.00 0.35 H new ATOM 0 HA LEU A 42 67.454 38.695-117.022 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.020 40.022-114.823 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.999 41.008-115.891 1.00 0.32 H new ATOM 0 HG LEU A 42 66.903 41.017-117.467 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.750 40.795-116.252 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.656 39.263-116.245 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.631 40.289-114.791 1.00 0.43 H new ATOM 0 HD21 LEU A 42 65.947 42.956-116.230 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.839 42.458-114.772 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.726 42.999-116.217 1.00 0.60 H new ATOM 459 N ALA A 43 70.495 39.264-117.978 1.00 0.30 N ATOM 460 CA ALA A 43 71.292 39.564-119.186 1.00 0.30 C ATOM 461 C ALA A 43 71.011 38.411-120.128 1.00 0.29 C ATOM 462 O ALA A 43 70.989 38.544-121.327 1.00 0.28 O ATOM 463 CB ALA A 43 72.782 39.612-118.837 1.00 0.36 C ATOM 0 H ALA A 43 71.021 38.880-117.193 1.00 0.30 H new ATOM 0 HA ALA A 43 71.035 40.528-119.624 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.359 39.834-119.735 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.956 40.389-118.092 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.093 38.648-118.435 1.00 0.36 H new ATOM 469 N GLU A 44 70.773 37.267-119.559 1.00 0.30 N ATOM 470 CA GLU A 44 70.449 36.101-120.413 1.00 0.32 C ATOM 471 C GLU A 44 69.124 36.416-121.115 1.00 0.30 C ATOM 472 O GLU A 44 69.061 36.530-122.323 1.00 0.34 O ATOM 473 CB GLU A 44 70.306 34.842-119.555 1.00 0.37 C ATOM 474 CG GLU A 44 70.676 33.612-120.387 1.00 1.15 C ATOM 475 CD GLU A 44 72.190 33.392-120.328 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.778 33.732-119.315 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.733 32.888-121.296 1.00 2.80 O ATOM 0 H GLU A 44 70.788 37.091-118.554 1.00 0.30 H new ATOM 0 HA GLU A 44 71.241 35.919-121.140 1.00 0.32 H new ATOM 0 HB2 GLU A 44 70.952 34.910-118.680 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.283 34.753-119.189 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.155 32.733-120.007 1.00 1.15 H new ATOM 0 HG3 GLU A 44 70.358 33.750-121.420 1.00 1.15 H new ATOM 484 N LEU A 45 68.060 36.548-120.366 1.00 0.28 N ATOM 485 CA LEU A 45 66.725 36.846-120.984 1.00 0.29 C ATOM 486 C LEU A 45 66.717 38.243-121.627 1.00 0.24 C ATOM 487 O LEU A 45 66.070 38.465-122.631 1.00 0.25 O ATOM 488 CB LEU A 45 65.645 36.784-119.900 1.00 0.34 C ATOM 489 CG LEU A 45 64.278 37.098-120.514 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.682 35.824-121.113 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.344 37.633-119.426 1.00 0.77 C ATOM 0 H LEU A 45 68.054 36.463-119.350 1.00 0.28 H new ATOM 0 HA LEU A 45 66.527 36.106-121.759 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.631 35.794-119.444 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.871 37.497-119.107 1.00 0.34 H new ATOM 0 HG LEU A 45 64.395 37.847-121.297 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.709 36.048-121.550 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.347 35.440-121.886 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.564 35.074-120.330 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.370 37.857-119.861 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.228 36.882-118.644 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.768 38.541-118.997 1.00 0.77 H new ATOM 503 N HIS A 46 67.444 39.174-121.078 1.00 0.21 N ATOM 504 CA HIS A 46 67.481 40.536-121.695 1.00 0.20 C ATOM 505 C HIS A 46 68.307 40.456-122.979 1.00 0.19 C ATOM 506 O HIS A 46 67.892 40.895-124.033 1.00 0.21 O ATOM 507 CB HIS A 46 68.122 41.539-120.732 1.00 0.23 C ATOM 508 CG HIS A 46 68.070 42.916-121.336 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.033 43.797-121.527 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.198 43.547-121.835 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.509 44.955-122.134 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.819 44.752-122.296 1.00 0.31 N flip ATOM 0 H HIS A 46 68.010 39.057-120.238 1.00 0.21 H new ATOM 0 HA HIS A 46 66.467 40.870-121.914 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.597 41.529-119.777 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.156 41.257-120.531 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.062 43.628-121.264 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.200 43.144-121.851 1.00 0.27 H new ATOM 0 HE1 HIS A 46 66.941 45.830-122.414 1.00 0.35 H new ATOM 520 N ALA A 47 69.472 39.882-122.888 1.00 0.19 N ATOM 521 CA ALA A 47 70.351 39.740-124.082 1.00 0.22 C ATOM 522 C ALA A 47 69.600 38.974-125.166 1.00 0.21 C ATOM 523 O ALA A 47 69.390 39.466-126.256 1.00 0.22 O ATOM 524 CB ALA A 47 71.610 38.957-123.694 1.00 0.27 C ATOM 0 H ALA A 47 69.859 39.499-122.025 1.00 0.19 H new ATOM 0 HA ALA A 47 70.632 40.726-124.452 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.256 38.851-124.566 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.144 39.493-122.909 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.327 37.969-123.330 1.00 0.27 H new ATOM 530 N ASP A 48 69.177 37.779-124.867 1.00 0.22 N ATOM 531 CA ASP A 48 68.421 36.992-125.879 1.00 0.25 C ATOM 532 C ASP A 48 67.273 37.858-126.381 1.00 0.22 C ATOM 533 O ASP A 48 67.098 38.059-127.566 1.00 0.25 O ATOM 534 CB ASP A 48 67.866 35.720-125.235 1.00 0.28 C ATOM 535 CG ASP A 48 69.020 34.885-124.677 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.150 35.141-125.060 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.754 34.003-123.877 1.00 0.94 O ATOM 0 H ASP A 48 69.321 37.315-123.970 1.00 0.22 H new ATOM 0 HA ASP A 48 69.073 36.707-126.705 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.170 35.978-124.436 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.307 35.141-125.970 1.00 0.28 H new ATOM 542 N LEU A 49 66.499 38.388-125.478 1.00 0.19 N ATOM 543 CA LEU A 49 65.375 39.260-125.901 1.00 0.19 C ATOM 544 C LEU A 49 65.922 40.288-126.892 1.00 0.18 C ATOM 545 O LEU A 49 65.297 40.602-127.885 1.00 0.19 O ATOM 546 CB LEU A 49 64.767 39.963-124.684 1.00 0.18 C ATOM 547 CG LEU A 49 63.730 39.044-124.032 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.079 39.762-122.852 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.655 38.673-125.057 1.00 0.89 C ATOM 0 H LEU A 49 66.596 38.255-124.471 1.00 0.19 H new ATOM 0 HA LEU A 49 64.591 38.667-126.372 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.549 40.214-123.967 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.300 40.900-124.987 1.00 0.18 H new ATOM 0 HG LEU A 49 64.224 38.138-123.679 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.341 39.106-122.389 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.842 40.024-122.119 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.588 40.669-123.204 1.00 1.06 H new ATOM 0 HD21 LEU A 49 61.918 38.019-124.591 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.163 39.578-125.412 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.117 38.157-125.899 1.00 0.89 H new ATOM 561 N LYS A 50 67.108 40.791-126.651 1.00 0.20 N ATOM 562 CA LYS A 50 67.701 41.766-127.609 1.00 0.21 C ATOM 563 C LYS A 50 67.962 41.028-128.916 1.00 0.23 C ATOM 564 O LYS A 50 67.476 41.397-129.963 1.00 0.24 O ATOM 565 CB LYS A 50 69.019 42.315-127.052 1.00 0.24 C ATOM 566 CG LYS A 50 68.781 42.931-125.672 1.00 0.36 C ATOM 567 CD LYS A 50 69.078 44.432-125.717 1.00 0.84 C ATOM 568 CE LYS A 50 70.574 44.663-125.496 1.00 1.09 C ATOM 569 NZ LYS A 50 70.950 46.009-126.017 1.00 1.84 N ATOM 0 H LYS A 50 67.684 40.569-125.839 1.00 0.20 H new ATOM 0 HA LYS A 50 67.022 42.603-127.768 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.756 41.515-126.981 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.427 43.065-127.730 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.749 42.764-125.362 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.419 42.447-124.932 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.774 44.845-126.679 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.502 44.951-124.951 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.811 44.593-124.434 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.151 43.890-126.003 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.967 46.167-125.867 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.738 46.059-127.034 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.408 46.740-125.513 1.00 1.84 H new ATOM 583 N ILE A 51 68.724 39.975-128.858 1.00 0.25 N ATOM 584 CA ILE A 51 68.994 39.218-130.106 1.00 0.27 C ATOM 585 C ILE A 51 67.658 39.108-130.836 1.00 0.26 C ATOM 586 O ILE A 51 67.494 39.597-131.946 1.00 0.25 O ATOM 587 CB ILE A 51 69.521 37.822-129.767 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.039 37.885-129.576 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.192 36.858-130.908 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.372 38.899-128.480 1.00 0.30 C ATOM 0 H ILE A 51 69.165 39.610-128.014 1.00 0.25 H new ATOM 0 HA ILE A 51 69.744 39.717-130.720 1.00 0.27 H new ATOM 0 HB ILE A 51 69.051 37.470-128.849 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.424 36.902-129.306 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.523 38.171-130.510 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.568 35.864-130.665 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.112 36.813-131.046 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.661 37.209-131.827 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.452 38.945-128.343 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.001 39.882-128.769 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.900 38.593-127.546 1.00 0.30 H new ATOM 602 N GLN A 52 66.683 38.506-130.213 1.00 0.26 N ATOM 603 CA GLN A 52 65.353 38.408-130.853 1.00 0.27 C ATOM 604 C GLN A 52 64.893 39.816-131.221 1.00 0.24 C ATOM 605 O GLN A 52 64.095 39.996-132.108 1.00 0.26 O ATOM 606 CB GLN A 52 64.362 37.784-129.872 1.00 0.32 C ATOM 607 CG GLN A 52 63.212 37.149-130.649 1.00 0.45 C ATOM 608 CD GLN A 52 63.583 35.714-131.026 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.569 34.832-130.192 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.917 35.443-132.258 1.00 0.48 N ATOM 0 H GLN A 52 66.755 38.080-129.289 1.00 0.26 H new ATOM 0 HA GLN A 52 65.408 37.786-131.746 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.862 37.032-129.262 1.00 0.32 H new ATOM 0 HB3 GLN A 52 63.979 38.544-129.191 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.304 37.155-130.046 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.001 37.730-131.547 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.929 36.185-132.958 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.167 34.490-132.521 1.00 0.48 H new ATOM 619 N GLU A 53 65.384 40.819-130.539 1.00 0.23 N ATOM 620 CA GLU A 53 64.962 42.209-130.875 1.00 0.23 C ATOM 621 C GLU A 53 65.639 42.633-132.177 1.00 0.20 C ATOM 622 O GLU A 53 65.094 43.385-132.952 1.00 0.21 O ATOM 623 CB GLU A 53 65.364 43.188-129.778 1.00 0.25 C ATOM 624 CG GLU A 53 64.935 44.595-130.200 1.00 0.28 C ATOM 625 CD GLU A 53 66.129 45.546-130.096 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.233 45.113-130.379 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.919 46.692-129.734 1.00 1.09 O ATOM 0 H GLU A 53 66.052 40.736-129.772 1.00 0.23 H new ATOM 0 HA GLU A 53 63.877 42.223-130.977 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.891 42.915-128.835 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.441 43.153-129.616 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.557 44.580-131.222 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.122 44.945-129.564 1.00 0.28 H new ATOM 634 N ARG A 54 66.824 42.153-132.427 1.00 0.22 N ATOM 635 CA ARG A 54 67.525 42.527-133.684 1.00 0.22 C ATOM 636 C ARG A 54 66.841 41.818-134.843 1.00 0.20 C ATOM 637 O ARG A 54 66.715 42.340-135.935 1.00 0.21 O ATOM 638 CB ARG A 54 68.975 42.062-133.606 1.00 0.24 C ATOM 639 CG ARG A 54 69.752 42.976-132.662 1.00 0.27 C ATOM 640 CD ARG A 54 70.108 44.279-133.382 1.00 0.85 C ATOM 641 NE ARG A 54 71.552 44.592-133.171 1.00 1.55 N ATOM 642 CZ ARG A 54 72.107 44.418-132.001 1.00 2.09 C ATOM 643 NH1 ARG A 54 71.390 44.026-130.984 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.381 44.655-131.844 1.00 3.03 N ATOM 0 H ARG A 54 67.337 41.518-131.815 1.00 0.22 H new ATOM 0 HA ARG A 54 67.493 43.607-133.826 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.019 41.032-133.251 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.427 42.077-134.598 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.156 43.191-131.775 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.660 42.477-132.323 1.00 0.27 H new ATOM 0 HD2 ARG A 54 69.898 44.186-134.448 1.00 0.85 H new ATOM 0 HD3 ARG A 54 69.490 45.094-133.005 1.00 0.85 H new ATOM 0 HE ARG A 54 72.111 44.945-133.948 1.00 1.55 H new ATOM 0 HH11 ARG A 54 70.391 43.854-131.100 1.00 2.40 H new ATOM 0 HH12 ARG A 54 71.828 43.892-130.073 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.941 44.975-132.634 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.816 44.520-130.931 1.00 3.03 H new ATOM 658 N ASP A 55 66.369 40.636-134.589 1.00 0.20 N ATOM 659 CA ASP A 55 65.655 39.874-135.653 1.00 0.21 C ATOM 660 C ASP A 55 64.192 40.322-135.690 1.00 0.21 C ATOM 661 O ASP A 55 63.582 40.433-136.739 1.00 0.20 O ATOM 662 CB ASP A 55 65.725 38.376-135.345 1.00 0.25 C ATOM 663 CG ASP A 55 67.168 37.891-135.491 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.023 38.715-135.777 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.395 36.706-135.315 1.00 0.84 O ATOM 0 H ASP A 55 66.445 40.160-133.690 1.00 0.20 H new ATOM 0 HA ASP A 55 66.123 40.063-136.619 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.367 38.185-134.333 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.074 37.824-136.023 1.00 0.25 H new ATOM 670 N GLU A 56 63.635 40.614-134.549 1.00 0.27 N ATOM 671 CA GLU A 56 62.225 41.080-134.497 1.00 0.32 C ATOM 672 C GLU A 56 62.172 42.482-135.076 1.00 0.30 C ATOM 673 O GLU A 56 61.380 42.777-135.944 1.00 0.31 O ATOM 674 CB GLU A 56 61.735 41.098-133.048 1.00 0.39 C ATOM 675 CG GLU A 56 61.412 39.671-132.600 1.00 0.44 C ATOM 676 CD GLU A 56 59.952 39.350-132.928 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.283 40.216-133.467 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.529 38.245-132.634 1.00 1.72 O ATOM 0 H GLU A 56 64.101 40.549-133.644 1.00 0.27 H new ATOM 0 HA GLU A 56 61.585 40.409-135.070 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.498 41.530-132.400 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.849 41.727-132.960 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.072 38.963-133.101 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.586 39.567-131.529 1.00 0.44 H new ATOM 685 N LEU A 57 63.039 43.346-134.634 1.00 0.30 N ATOM 686 CA LEU A 57 63.047 44.708-135.209 1.00 0.32 C ATOM 687 C LEU A 57 63.377 44.555-136.690 1.00 0.28 C ATOM 688 O LEU A 57 62.693 45.067-137.551 1.00 0.29 O ATOM 689 CB LEU A 57 64.113 45.572-134.530 1.00 0.36 C ATOM 690 CG LEU A 57 63.571 46.114-133.208 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.723 46.697-132.387 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.543 47.210-133.492 1.00 1.22 C ATOM 0 H LEU A 57 63.733 43.168-133.908 1.00 0.30 H new ATOM 0 HA LEU A 57 62.083 45.194-135.062 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.013 44.983-134.351 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.397 46.397-135.183 1.00 0.36 H new ATOM 0 HG LEU A 57 63.098 45.307-132.649 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.338 47.084-131.444 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.458 45.917-132.186 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.195 47.505-132.945 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.155 47.598-132.550 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.017 48.018-134.049 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.723 46.796-134.079 1.00 1.22 H new ATOM 704 N ALA A 58 64.406 43.807-136.998 1.00 0.25 N ATOM 705 CA ALA A 58 64.738 43.583-138.426 1.00 0.24 C ATOM 706 C ALA A 58 63.467 43.065-139.092 1.00 0.21 C ATOM 707 O ALA A 58 63.221 43.270-140.268 1.00 0.21 O ATOM 708 CB ALA A 58 65.852 42.543-138.548 1.00 0.24 C ATOM 0 H ALA A 58 65.021 43.348-136.326 1.00 0.25 H new ATOM 0 HA ALA A 58 65.085 44.502-138.898 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.089 42.385-139.600 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.740 42.898-138.025 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.522 41.603-138.105 1.00 0.24 H new ATOM 714 N TRP A 59 62.626 42.433-138.317 1.00 0.19 N ATOM 715 CA TRP A 59 61.352 41.949-138.893 1.00 0.18 C ATOM 716 C TRP A 59 60.431 43.149-139.107 1.00 0.20 C ATOM 717 O TRP A 59 60.047 43.448-140.221 1.00 0.30 O ATOM 718 CB TRP A 59 60.655 40.929-137.996 1.00 0.19 C ATOM 719 CG TRP A 59 59.473 40.424-138.755 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.509 39.450-139.690 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.092 40.875-138.686 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.245 39.281-140.214 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.330 40.132-139.619 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.434 41.845-137.911 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.961 40.348-139.777 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.056 42.064-138.067 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.322 41.317-138.997 1.00 0.39 C ATOM 0 H TRP A 59 62.768 42.236-137.326 1.00 0.19 H new ATOM 0 HA TRP A 59 61.575 41.449-139.835 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.330 40.111-137.743 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.344 41.388-137.057 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.387 38.893-139.981 1.00 0.26 H new ATOM 0 HE1 TRP A 59 58.013 38.612-140.948 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.992 42.426-137.191 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.399 39.771-140.496 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.560 42.812-137.467 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.262 41.489-139.112 1.00 0.39 H new ATOM 738 N LYS A 60 60.055 43.842-138.060 1.00 0.27 N ATOM 739 CA LYS A 60 59.153 45.005-138.269 1.00 0.30 C ATOM 740 C LYS A 60 59.655 45.766-139.495 1.00 0.29 C ATOM 741 O LYS A 60 58.885 46.291-140.281 1.00 0.31 O ATOM 742 CB LYS A 60 59.153 45.917-137.034 1.00 0.38 C ATOM 743 CG LYS A 60 60.331 46.895-137.091 1.00 0.42 C ATOM 744 CD LYS A 60 60.207 47.906-135.951 1.00 1.08 C ATOM 745 CE LYS A 60 61.310 48.958-136.079 1.00 1.53 C ATOM 746 NZ LYS A 60 60.835 50.071-136.950 1.00 2.27 N ATOM 0 H LYS A 60 60.328 43.656-137.095 1.00 0.27 H new ATOM 0 HA LYS A 60 58.129 44.666-138.425 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.215 46.470-136.983 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.217 45.313-136.129 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.273 46.352-137.010 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.343 47.412-138.051 1.00 0.42 H new ATOM 0 HD2 LYS A 60 59.228 48.385-135.980 1.00 1.08 H new ATOM 0 HD3 LYS A 60 60.285 47.398-134.990 1.00 1.08 H new ATOM 0 HE2 LYS A 60 61.578 49.341-135.094 1.00 1.53 H new ATOM 0 HE3 LYS A 60 62.209 48.509-136.502 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 61.584 50.787-137.038 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 60.600 49.698-137.892 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 59.989 50.505-136.528 1.00 2.27 H new ATOM 760 N LYS A 61 60.948 45.794-139.690 1.00 0.28 N ATOM 761 CA LYS A 61 61.499 46.483-140.883 1.00 0.30 C ATOM 762 C LYS A 61 61.278 45.586-142.099 1.00 0.27 C ATOM 763 O LYS A 61 61.109 46.058-143.204 1.00 0.35 O ATOM 764 CB LYS A 61 62.994 46.745-140.700 1.00 0.35 C ATOM 765 CG LYS A 61 63.224 47.492-139.385 1.00 0.40 C ATOM 766 CD LYS A 61 64.717 47.500-139.054 1.00 0.77 C ATOM 767 CE LYS A 61 65.357 48.772-139.612 1.00 1.42 C ATOM 768 NZ LYS A 61 64.599 49.961-139.131 1.00 2.43 N ATOM 0 H LYS A 61 61.641 45.369-139.073 1.00 0.28 H new ATOM 0 HA LYS A 61 60.997 47.440-141.022 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.541 45.802-140.696 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.376 47.332-141.535 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.854 48.514-139.466 1.00 0.40 H new ATOM 0 HG3 LYS A 61 62.665 47.013-138.581 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.861 47.451-137.975 1.00 0.77 H new ATOM 0 HD3 LYS A 61 65.199 46.620-139.480 1.00 0.77 H new ATOM 0 HE2 LYS A 61 66.398 48.838-139.294 1.00 1.42 H new ATOM 0 HE3 LYS A 61 65.357 48.744-140.702 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 65.257 50.750-138.970 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 63.896 50.237-139.846 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 64.114 49.727-138.241 1.00 2.43 H new ATOM 782 N LEU A 62 61.230 44.291-141.900 1.00 0.24 N ATOM 783 CA LEU A 62 60.966 43.380-143.048 1.00 0.24 C ATOM 784 C LEU A 62 59.548 43.649-143.531 1.00 0.24 C ATOM 785 O LEU A 62 59.318 44.066-144.649 1.00 0.26 O ATOM 786 CB LEU A 62 61.035 41.922-142.587 1.00 0.24 C ATOM 787 CG LEU A 62 62.470 41.404-142.653 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.633 40.245-141.669 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.760 40.905-144.067 1.00 0.41 C ATOM 0 H LEU A 62 61.362 43.832-140.999 1.00 0.24 H new ATOM 0 HA LEU A 62 61.703 43.550-143.832 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.660 41.839-141.567 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.391 41.306-143.215 1.00 0.24 H new ATOM 0 HG LEU A 62 63.162 42.206-142.396 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.656 39.872-141.713 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.416 40.592-140.659 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.943 39.444-141.933 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.784 40.534-144.119 1.00 0.41 H new ATOM 0 HD22 LEU A 62 62.069 40.100-144.318 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.634 41.724-144.775 1.00 0.41 H new ATOM 801 N LYS A 63 58.591 43.411-142.674 1.00 0.24 N ATOM 802 CA LYS A 63 57.175 43.644-143.051 1.00 0.26 C ATOM 803 C LYS A 63 57.018 45.084-143.529 1.00 0.29 C ATOM 804 O LYS A 63 56.215 45.374-144.394 1.00 0.30 O ATOM 805 CB LYS A 63 56.271 43.411-141.836 1.00 0.34 C ATOM 806 CG LYS A 63 56.218 44.683-140.985 1.00 0.46 C ATOM 807 CD LYS A 63 55.365 44.432-139.742 1.00 0.41 C ATOM 808 CE LYS A 63 54.377 45.584-139.557 1.00 0.58 C ATOM 809 NZ LYS A 63 55.074 46.880-139.793 1.00 1.20 N ATOM 0 H LYS A 63 58.734 43.064-141.726 1.00 0.24 H new ATOM 0 HA LYS A 63 56.891 42.955-143.847 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.268 43.138-142.163 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.650 42.579-141.242 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.225 44.980-140.693 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.799 45.505-141.566 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.826 43.490-139.843 1.00 0.41 H new ATOM 0 HD3 LYS A 63 56.003 44.342-138.863 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.543 45.476-140.250 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.960 45.561-138.550 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 54.599 47.633-139.255 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 56.063 46.804-139.482 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 55.047 47.109-140.807 1.00 1.20 H new ATOM 823 N LEU A 64 57.778 45.999-142.981 1.00 0.33 N ATOM 824 CA LEU A 64 57.668 47.418-143.413 1.00 0.43 C ATOM 825 C LEU A 64 58.212 47.575-144.833 1.00 0.52 C ATOM 826 O LEU A 64 57.575 48.152-145.693 1.00 0.75 O ATOM 827 CB LEU A 64 58.487 48.282-142.451 1.00 0.38 C ATOM 828 CG LEU A 64 57.618 48.689-141.260 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.482 49.398-140.216 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.514 49.636-141.736 1.00 1.23 C ATOM 0 H LEU A 64 58.469 45.820-142.253 1.00 0.33 H new ATOM 0 HA LEU A 64 56.623 47.729-143.402 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.361 47.730-142.105 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.854 49.170-142.966 1.00 0.38 H new ATOM 0 HG LEU A 64 57.170 47.800-140.817 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.863 49.688-139.367 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.269 48.725-139.877 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.931 50.287-140.658 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.894 49.927-140.888 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.963 50.525-142.179 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.898 49.132-142.480 1.00 1.23 H new ATOM 842 N ASP A 65 59.385 47.071-145.086 1.00 0.45 N ATOM 843 CA ASP A 65 59.974 47.194-146.448 1.00 0.60 C ATOM 844 C ASP A 65 59.268 46.232-147.404 1.00 0.96 C ATOM 845 O ASP A 65 59.462 46.279-148.602 1.00 0.98 O ATOM 846 CB ASP A 65 61.465 46.855-146.393 1.00 0.53 C ATOM 847 CG ASP A 65 62.213 47.961-145.646 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.565 48.901-145.215 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.421 47.848-145.516 1.00 1.31 O ATOM 0 H ASP A 65 59.964 46.577-144.407 1.00 0.45 H new ATOM 0 HA ASP A 65 59.846 48.216-146.804 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.613 45.899-145.892 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.862 46.750-147.403 1.00 0.53 H new ATOM 854 N GLY A 66 58.443 45.363-146.888 1.00 1.30 N ATOM 855 CA GLY A 66 57.721 44.407-147.774 1.00 1.72 C ATOM 856 C GLY A 66 58.645 43.250-148.163 1.00 0.91 C ATOM 857 O GLY A 66 58.875 42.996-149.329 1.00 1.14 O ATOM 0 H GLY A 66 58.238 45.274-145.893 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.838 44.022-147.264 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.372 44.921-148.670 1.00 1.72 H new ATOM 861 N LEU A 67 59.168 42.536-147.203 1.00 0.37 N ATOM 862 CA LEU A 67 60.059 41.391-147.536 1.00 1.03 C ATOM 863 C LEU A 67 59.308 40.085-147.278 1.00 0.91 C ATOM 864 O LEU A 67 59.328 39.175-148.083 1.00 1.09 O ATOM 865 CB LEU A 67 61.316 41.451-146.669 1.00 1.69 C ATOM 866 CG LEU A 67 62.361 42.338-147.351 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.754 41.724-148.695 1.00 2.52 C ATOM 868 CD2 LEU A 67 61.772 43.731-147.581 1.00 2.68 C ATOM 0 H LEU A 67 59.017 42.696-146.207 1.00 0.37 H new ATOM 0 HA LEU A 67 60.351 41.441-148.585 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.073 41.848-145.683 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.716 40.448-146.519 1.00 1.69 H new ATOM 0 HG LEU A 67 63.243 42.415-146.715 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.498 42.356-149.180 1.00 2.52 H new ATOM 0 HD12 LEU A 67 63.172 40.730-148.533 1.00 2.52 H new ATOM 0 HD13 LEU A 67 61.873 41.647-149.332 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.514 44.364-148.067 1.00 2.68 H new ATOM 0 HD22 LEU A 67 60.890 43.653-148.217 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.491 44.170-146.624 1.00 2.68 H new ATOM 880 N ASP A 68 58.597 40.010-146.187 1.00 0.69 N ATOM 881 CA ASP A 68 57.782 38.800-145.891 1.00 0.59 C ATOM 882 C ASP A 68 56.317 39.207-146.038 1.00 0.59 C ATOM 883 O ASP A 68 55.843 40.042-145.292 1.00 0.59 O ATOM 884 CB ASP A 68 58.059 38.336-144.454 1.00 0.53 C ATOM 885 CG ASP A 68 57.653 36.870-144.309 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.821 36.130-145.265 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.181 36.514-143.245 1.00 0.97 O ATOM 0 H ASP A 68 58.546 40.744-145.481 1.00 0.69 H new ATOM 0 HA ASP A 68 58.026 37.980-146.567 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.116 38.457-144.218 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.502 38.951-143.747 1.00 0.53 H new ATOM 892 N GLU A 69 55.569 38.660-146.962 1.00 0.63 N ATOM 893 CA GLU A 69 54.145 39.077-147.079 1.00 0.69 C ATOM 894 C GLU A 69 53.262 38.189-146.201 1.00 0.71 C ATOM 895 O GLU A 69 52.066 38.387-146.118 1.00 0.77 O ATOM 896 CB GLU A 69 53.700 38.950-148.537 1.00 0.73 C ATOM 897 CG GLU A 69 53.850 37.497-148.992 1.00 0.75 C ATOM 898 CD GLU A 69 53.486 37.384-150.474 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.152 38.401-151.060 1.00 1.82 O ATOM 900 OE2 GLU A 69 53.547 36.284-150.996 1.00 2.06 O ATOM 0 H GLU A 69 55.879 37.954-147.630 1.00 0.63 H new ATOM 0 HA GLU A 69 54.048 40.112-146.750 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.663 39.269-148.641 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.300 39.604-149.170 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.874 37.159-148.832 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.204 36.851-148.398 1.00 0.75 H new ATOM 907 N ASP A 70 53.826 37.207-145.550 1.00 0.72 N ATOM 908 CA ASP A 70 52.996 36.317-144.692 1.00 0.78 C ATOM 909 C ASP A 70 53.526 36.369-143.263 1.00 0.69 C ATOM 910 O ASP A 70 52.948 35.812-142.352 1.00 0.84 O ATOM 911 CB ASP A 70 53.074 34.882-145.216 1.00 0.83 C ATOM 912 CG ASP A 70 52.759 34.866-146.713 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.720 35.387-147.084 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.561 34.335-147.462 1.00 1.34 O ATOM 0 H ASP A 70 54.821 36.984-145.576 1.00 0.72 H new ATOM 0 HA ASP A 70 51.958 36.650-144.712 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.069 34.473-145.039 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.368 34.249-144.679 1.00 0.83 H new ATOM 919 N GLY A 71 54.611 37.060-143.057 1.00 0.50 N ATOM 920 CA GLY A 71 55.174 37.183-141.686 1.00 0.43 C ATOM 921 C GLY A 71 55.772 35.857-141.205 1.00 0.34 C ATOM 922 O GLY A 71 55.790 35.588-140.022 1.00 0.31 O ATOM 0 H GLY A 71 55.135 37.547-143.784 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.943 37.956-141.675 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.392 37.502-140.997 1.00 0.43 H new ATOM 926 N GLU A 72 56.287 35.026-142.076 1.00 0.36 N ATOM 927 CA GLU A 72 56.885 33.762-141.564 1.00 0.34 C ATOM 928 C GLU A 72 58.137 34.141-140.774 1.00 0.30 C ATOM 929 O GLU A 72 58.298 33.769-139.630 1.00 0.30 O ATOM 930 CB GLU A 72 57.265 32.855-142.738 1.00 0.40 C ATOM 931 CG GLU A 72 56.426 31.578-142.689 1.00 1.23 C ATOM 932 CD GLU A 72 56.983 30.561-143.688 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.536 30.986-144.689 1.00 2.68 O ATOM 934 OE2 GLU A 72 56.847 29.376-143.435 1.00 2.64 O ATOM 0 H GLU A 72 56.319 35.162-143.086 1.00 0.36 H new ATOM 0 HA GLU A 72 56.177 33.225-140.933 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.100 33.375-143.681 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.326 32.608-142.692 1.00 0.40 H new ATOM 0 HG2 GLU A 72 56.440 31.160-141.683 1.00 1.23 H new ATOM 0 HG3 GLU A 72 55.386 31.804-142.926 1.00 1.23 H new ATOM 941 N LYS A 73 59.023 34.890-141.371 1.00 0.31 N ATOM 942 CA LYS A 73 60.243 35.291-140.621 1.00 0.33 C ATOM 943 C LYS A 73 59.770 35.768-139.250 1.00 0.29 C ATOM 944 O LYS A 73 60.459 35.656-138.248 1.00 0.29 O ATOM 945 CB LYS A 73 60.997 36.408-141.348 1.00 0.38 C ATOM 946 CG LYS A 73 60.226 36.834-142.596 1.00 0.55 C ATOM 947 CD LYS A 73 60.483 35.829-143.721 1.00 1.07 C ATOM 948 CE LYS A 73 61.975 35.814-144.061 1.00 1.38 C ATOM 949 NZ LYS A 73 62.145 35.763-145.539 1.00 2.36 N ATOM 0 H LYS A 73 58.957 35.236-142.328 1.00 0.31 H new ATOM 0 HA LYS A 73 60.935 34.453-140.533 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.128 37.262-140.683 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.993 36.064-141.626 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.159 36.887-142.377 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.538 37.831-142.906 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.159 34.834-143.415 1.00 1.07 H new ATOM 0 HD3 LYS A 73 59.901 36.097-144.603 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.460 36.703-143.659 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.456 34.952-143.599 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.159 35.753-145.772 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 61.696 34.902-145.911 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 61.700 36.599-145.969 1.00 2.36 H new ATOM 963 N GLU A 74 58.546 36.216-139.198 1.00 0.28 N ATOM 964 CA GLU A 74 57.950 36.624-137.902 1.00 0.28 C ATOM 965 C GLU A 74 57.567 35.326-137.207 1.00 0.26 C ATOM 966 O GLU A 74 57.706 35.162-136.029 1.00 0.27 O ATOM 967 CB GLU A 74 56.696 37.458-138.146 1.00 0.31 C ATOM 968 CG GLU A 74 56.458 38.366-136.943 1.00 0.37 C ATOM 969 CD GLU A 74 54.964 38.410-136.610 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.201 37.756-137.302 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.609 39.098-135.668 1.00 1.11 O ATOM 0 H GLU A 74 57.931 36.316-140.006 1.00 0.28 H new ATOM 0 HA GLU A 74 58.641 37.222-137.309 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.812 38.055-139.051 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.836 36.807-138.302 1.00 0.31 H new ATOM 0 HG2 GLU A 74 57.020 38.000-136.084 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.821 39.371-137.158 1.00 0.37 H new ATOM 978 N ALA A 75 57.100 34.402-137.988 1.00 0.25 N ATOM 979 CA ALA A 75 56.727 33.078-137.427 1.00 0.27 C ATOM 980 C ALA A 75 57.968 32.547-136.734 1.00 0.26 C ATOM 981 O ALA A 75 58.003 32.407-135.533 1.00 0.27 O ATOM 982 CB ALA A 75 56.285 32.124-138.539 1.00 0.30 C ATOM 0 H ALA A 75 56.959 34.504-138.993 1.00 0.25 H new ATOM 0 HA ALA A 75 55.891 33.166-136.733 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.016 31.160-138.106 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.422 32.543-139.056 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.102 31.988-139.248 1.00 0.30 H new ATOM 988 N ARG A 76 58.993 32.256-137.473 1.00 0.28 N ATOM 989 CA ARG A 76 60.226 31.741-136.825 1.00 0.31 C ATOM 990 C ARG A 76 60.518 32.604-135.600 1.00 0.28 C ATOM 991 O ARG A 76 60.754 32.106-134.517 1.00 0.30 O ATOM 992 CB ARG A 76 61.398 31.818-137.806 1.00 0.35 C ATOM 993 CG ARG A 76 62.689 31.408-137.094 1.00 0.66 C ATOM 994 CD ARG A 76 63.853 31.444-138.086 1.00 1.00 C ATOM 995 NE ARG A 76 64.520 32.775-138.021 1.00 1.51 N ATOM 996 CZ ARG A 76 65.703 32.939-138.551 1.00 2.03 C ATOM 997 NH1 ARG A 76 66.299 31.938-139.138 1.00 2.34 N ATOM 998 NH2 ARG A 76 66.287 34.104-138.493 1.00 3.14 N ATOM 0 H ARG A 76 59.034 32.350-138.488 1.00 0.28 H new ATOM 0 HA ARG A 76 60.089 30.701-136.528 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.216 31.163-138.658 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.492 32.831-138.197 1.00 0.35 H new ATOM 0 HG2 ARG A 76 62.887 32.082-136.260 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.584 30.407-136.676 1.00 0.66 H new ATOM 0 HD2 ARG A 76 64.568 30.655-137.853 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.490 31.256-139.096 1.00 1.00 H new ATOM 0 HE ARG A 76 64.053 33.558-137.563 1.00 1.51 H new ATOM 0 HH11 ARG A 76 65.842 31.027-139.183 1.00 2.34 H new ATOM 0 HH12 ARG A 76 67.222 32.066-139.552 1.00 2.34 H new ATOM 0 HH21 ARG A 76 65.820 34.886-138.034 1.00 3.14 H new ATOM 0 HH22 ARG A 76 67.210 34.233-138.907 1.00 3.14 H new ATOM 1012 N LEU A 77 60.495 33.898-135.759 1.00 0.30 N ATOM 1013 CA LEU A 77 60.764 34.787-134.591 1.00 0.31 C ATOM 1014 C LEU A 77 59.806 34.427-133.453 1.00 0.29 C ATOM 1015 O LEU A 77 60.216 34.046-132.376 1.00 0.30 O ATOM 1016 CB LEU A 77 60.554 36.246-134.995 1.00 0.35 C ATOM 1017 CG LEU A 77 61.781 36.741-135.763 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.441 38.047-136.481 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.932 36.982-134.783 1.00 0.38 C ATOM 0 H LEU A 77 60.303 34.377-136.639 1.00 0.30 H new ATOM 0 HA LEU A 77 61.794 34.652-134.260 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.662 36.339-135.614 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.393 36.861-134.109 1.00 0.35 H new ATOM 0 HG LEU A 77 62.078 35.991-136.496 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.315 38.400-137.028 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.621 37.876-137.179 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.144 38.798-135.749 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.807 37.335-135.329 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.635 37.732-134.050 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.175 36.051-134.271 1.00 0.38 H new ATOM 1031 N ILE A 78 58.532 34.532-133.697 1.00 0.29 N ATOM 1032 CA ILE A 78 57.518 34.191-132.660 1.00 0.32 C ATOM 1033 C ILE A 78 57.855 32.835-132.064 1.00 0.30 C ATOM 1034 O ILE A 78 57.873 32.657-130.871 1.00 0.32 O ATOM 1035 CB ILE A 78 56.141 34.129-133.303 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.729 35.539-133.705 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.131 33.564-132.302 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.807 35.469-134.914 1.00 0.37 C ATOM 0 H ILE A 78 58.142 34.845-134.586 1.00 0.29 H new ATOM 0 HA ILE A 78 57.521 34.950-131.878 1.00 0.32 H new ATOM 0 HB ILE A 78 56.168 33.484-134.181 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.223 36.033-132.875 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.611 36.135-133.940 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.145 33.521-132.765 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.436 32.561-132.004 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.091 34.207-131.423 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.510 36.477-135.204 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.330 34.992-135.743 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.920 34.888-134.662 1.00 0.37 H new ATOM 1050 N ARG A 79 58.158 31.886-132.898 1.00 0.29 N ATOM 1051 CA ARG A 79 58.540 30.544-132.369 1.00 0.32 C ATOM 1052 C ARG A 79 59.789 30.729-131.505 1.00 0.26 C ATOM 1053 O ARG A 79 60.001 30.026-130.537 1.00 0.26 O ATOM 1054 CB ARG A 79 58.842 29.591-133.529 1.00 0.38 C ATOM 1055 CG ARG A 79 59.892 28.568-133.090 1.00 0.39 C ATOM 1056 CD ARG A 79 59.958 27.432-134.114 1.00 0.39 C ATOM 1057 NE ARG A 79 60.950 27.775-135.172 1.00 1.50 N ATOM 1058 CZ ARG A 79 61.395 26.847-135.974 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.973 25.619-135.848 1.00 2.28 N ATOM 1060 NH2 ARG A 79 62.262 27.147-136.902 1.00 3.27 N ATOM 0 H ARG A 79 58.159 31.975-133.914 1.00 0.29 H new ATOM 0 HA ARG A 79 57.727 30.117-131.782 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.931 29.081-133.841 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.204 30.153-134.390 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.867 29.047-133.000 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.640 28.171-132.107 1.00 0.39 H new ATOM 0 HD2 ARG A 79 60.241 26.501-133.623 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.976 27.272-134.559 1.00 0.39 H new ATOM 0 HE ARG A 79 61.281 28.735-135.269 1.00 1.50 H new ATOM 0 HH11 ARG A 79 60.295 25.385-135.123 1.00 2.28 H new ATOM 0 HH12 ARG A 79 61.321 24.893-136.475 1.00 2.28 H new ATOM 0 HH21 ARG A 79 62.592 28.107-137.000 1.00 3.27 H new ATOM 0 HH22 ARG A 79 62.610 26.421-137.529 1.00 3.27 H new ATOM 1074 N ASN A 80 60.605 31.698-131.836 1.00 0.23 N ATOM 1075 CA ASN A 80 61.824 31.961-131.020 1.00 0.21 C ATOM 1076 C ASN A 80 61.388 32.667-129.740 1.00 0.21 C ATOM 1077 O ASN A 80 62.002 32.529-128.701 1.00 0.22 O ATOM 1078 CB ASN A 80 62.791 32.851-131.804 1.00 0.23 C ATOM 1079 CG ASN A 80 63.056 32.234-133.178 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.675 32.936-134.087 1.00 1.06 O flip ATOM 1081 ND2 ASN A 80 62.695 31.101-133.428 1.00 1.15 N flip ATOM 0 H ASN A 80 60.478 32.317-132.637 1.00 0.23 H new ATOM 0 HA ASN A 80 62.332 31.026-130.782 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.371 33.850-131.918 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.727 32.959-131.256 1.00 0.23 H new ATOM 0 HD21 ASN A 80 62.211 30.552-132.718 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.876 30.699-134.348 1.00 1.15 H new ATOM 1088 N LEU A 81 60.284 33.362-129.796 1.00 0.23 N ATOM 1089 CA LEU A 81 59.758 34.011-128.568 1.00 0.28 C ATOM 1090 C LEU A 81 59.211 32.876-127.726 1.00 0.30 C ATOM 1091 O LEU A 81 59.604 32.655-126.601 1.00 0.31 O ATOM 1092 CB LEU A 81 58.627 34.984-128.922 1.00 0.35 C ATOM 1093 CG LEU A 81 59.206 36.351-129.291 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.087 36.864-128.150 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.039 36.223-130.567 1.00 1.26 C ATOM 0 H LEU A 81 59.727 33.506-130.638 1.00 0.23 H new ATOM 0 HA LEU A 81 60.528 34.581-128.049 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.045 34.590-129.755 1.00 0.35 H new ATOM 0 HB3 LEU A 81 57.946 35.085-128.077 1.00 0.35 H new ATOM 0 HG LEU A 81 58.392 37.056-129.458 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.497 37.838-128.417 1.00 1.28 H new ATOM 0 HD12 LEU A 81 59.490 36.958-127.243 1.00 1.28 H new ATOM 0 HD13 LEU A 81 60.902 36.162-127.976 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.452 37.197-130.831 1.00 1.26 H new ATOM 0 HD22 LEU A 81 60.852 35.517-130.401 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.407 35.865-131.380 1.00 1.26 H new ATOM 1107 N ASN A 82 58.332 32.124-128.313 1.00 0.35 N ATOM 1108 CA ASN A 82 57.754 30.947-127.636 1.00 0.42 C ATOM 1109 C ASN A 82 58.884 30.158-126.986 1.00 0.37 C ATOM 1110 O ASN A 82 58.924 29.989-125.785 1.00 0.38 O ATOM 1111 CB ASN A 82 57.044 30.100-128.700 1.00 0.51 C ATOM 1112 CG ASN A 82 55.601 30.582-128.858 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.347 31.862-128.834 1.00 1.27 O flip ATOM 1114 ND2 ASN A 82 54.695 29.785-129.003 1.00 0.98 N flip ATOM 0 H ASN A 82 57.983 32.283-129.258 1.00 0.35 H new ATOM 0 HA ASN A 82 57.041 31.237-126.864 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.570 30.177-129.651 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.058 29.049-128.412 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.894 28.785-129.022 1.00 0.98 H new ATOM 0 HD22 ASN A 82 53.736 30.116-129.106 1.00 0.98 H new ATOM 1121 N VAL A 83 59.816 29.693-127.765 1.00 0.35 N ATOM 1122 CA VAL A 83 60.955 28.940-127.178 1.00 0.36 C ATOM 1123 C VAL A 83 61.557 29.777-126.050 1.00 0.32 C ATOM 1124 O VAL A 83 61.703 29.323-124.938 1.00 0.35 O ATOM 1125 CB VAL A 83 62.014 28.695-128.256 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.332 28.289-127.596 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.544 27.576-129.188 1.00 0.44 C ATOM 0 H VAL A 83 59.839 29.801-128.779 1.00 0.35 H new ATOM 0 HA VAL A 83 60.612 27.980-126.791 1.00 0.36 H new ATOM 0 HB VAL A 83 62.163 29.609-128.831 1.00 0.38 H new ATOM 0 HG11 VAL A 83 64.085 28.115-128.364 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.668 29.086-126.933 1.00 0.42 H new ATOM 0 HG13 VAL A 83 63.184 27.376-127.019 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.298 27.401-129.956 1.00 0.44 H new ATOM 0 HG22 VAL A 83 61.393 26.663-128.613 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.605 27.866-129.660 1.00 0.44 H new ATOM 1137 N ILE A 84 61.905 31.002-126.336 1.00 0.27 N ATOM 1138 CA ILE A 84 62.494 31.863-125.277 1.00 0.30 C ATOM 1139 C ILE A 84 61.659 31.717-124.008 1.00 0.31 C ATOM 1140 O ILE A 84 62.168 31.401-122.950 1.00 0.37 O ATOM 1141 CB ILE A 84 62.489 33.319-125.724 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.740 33.587-126.555 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.493 34.229-124.494 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.466 34.740-127.511 1.00 0.37 C ATOM 0 H ILE A 84 61.807 31.440-127.252 1.00 0.27 H new ATOM 0 HA ILE A 84 63.523 31.557-125.087 1.00 0.30 H new ATOM 0 HB ILE A 84 61.598 33.519-126.320 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.579 33.830-125.903 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.019 32.694-127.114 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.489 35.271-124.813 1.00 0.44 H new ATOM 0 HG22 ILE A 84 61.606 34.031-123.892 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.386 34.034-123.900 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.356 34.937-128.108 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.638 34.478-128.170 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.207 35.632-126.941 1.00 0.37 H new ATOM 1156 N LEU A 85 60.377 31.945-124.104 1.00 0.35 N ATOM 1157 CA LEU A 85 59.512 31.818-122.898 1.00 0.42 C ATOM 1158 C LEU A 85 59.615 30.403-122.345 1.00 0.42 C ATOM 1159 O LEU A 85 59.949 30.200-121.202 1.00 0.47 O ATOM 1160 CB LEU A 85 58.060 32.120-123.269 1.00 0.54 C ATOM 1161 CG LEU A 85 57.806 33.620-123.145 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.012 34.047-121.691 1.00 0.69 C ATOM 1163 CD2 LEU A 85 58.786 34.381-124.039 1.00 0.61 C ATOM 0 H LEU A 85 59.894 32.212-124.962 1.00 0.35 H new ATOM 0 HA LEU A 85 59.843 32.528-122.141 1.00 0.42 H new ATOM 0 HB2 LEU A 85 57.857 31.789-124.287 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.384 31.570-122.614 1.00 0.54 H new ATOM 0 HG LEU A 85 56.785 33.843-123.454 1.00 0.61 H new ATOM 0 HD11 LEU A 85 57.832 35.118-121.597 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.317 33.505-121.050 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.035 33.823-121.388 1.00 0.69 H new ATOM 0 HD21 LEU A 85 58.604 35.452-123.950 1.00 0.61 H new ATOM 0 HD22 LEU A 85 59.808 34.160-123.730 1.00 0.61 H new ATOM 0 HD23 LEU A 85 58.646 34.074-125.076 1.00 0.61 H new ATOM 1175 N ALA A 86 59.336 29.422-123.146 1.00 0.47 N ATOM 1176 CA ALA A 86 59.430 28.020-122.664 1.00 0.58 C ATOM 1177 C ALA A 86 60.832 27.778-122.094 1.00 0.59 C ATOM 1178 O ALA A 86 61.076 26.812-121.398 1.00 0.73 O ATOM 1179 CB ALA A 86 59.190 27.073-123.840 1.00 0.64 C ATOM 0 H ALA A 86 59.046 29.529-124.118 1.00 0.47 H new ATOM 0 HA ALA A 86 58.684 27.841-121.889 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.257 26.041-123.496 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.199 27.253-124.256 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.943 27.249-124.608 1.00 0.64 H new ATOM 1185 N LYS A 87 61.762 28.637-122.417 1.00 0.50 N ATOM 1186 CA LYS A 87 63.165 28.460-121.939 1.00 0.60 C ATOM 1187 C LYS A 87 63.345 29.049-120.544 1.00 0.58 C ATOM 1188 O LYS A 87 63.871 28.409-119.654 1.00 0.71 O ATOM 1189 CB LYS A 87 64.097 29.185-122.902 1.00 0.61 C ATOM 1190 CG LYS A 87 65.492 28.560-122.839 1.00 0.82 C ATOM 1191 CD LYS A 87 66.510 29.519-123.460 1.00 0.99 C ATOM 1192 CE LYS A 87 67.924 28.976-123.241 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.912 29.895-123.874 1.00 2.02 N ATOM 0 H LYS A 87 61.608 29.462-122.997 1.00 0.50 H new ATOM 0 HA LYS A 87 63.393 27.395-121.898 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.706 29.123-123.918 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.150 30.243-122.645 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.761 28.348-121.804 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.500 27.609-123.372 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.314 29.633-124.526 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.415 30.508-123.011 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.129 28.884-122.174 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.012 27.978-123.670 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.873 29.527-123.726 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.720 29.962-124.894 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.833 30.839-123.445 1.00 2.02 H new ATOM 1207 N TYR A 88 62.916 30.260-120.337 1.00 0.45 N ATOM 1208 CA TYR A 88 63.072 30.869-118.989 1.00 0.47 C ATOM 1209 C TYR A 88 61.924 30.389-118.119 1.00 0.54 C ATOM 1210 O TYR A 88 62.002 30.353-116.907 1.00 0.58 O ATOM 1211 CB TYR A 88 63.042 32.394-119.105 1.00 0.44 C ATOM 1212 CG TYR A 88 64.380 32.878-119.606 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.407 33.160-118.697 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.597 33.039-120.979 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.650 33.604-119.162 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.842 33.482-121.444 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.868 33.765-120.535 1.00 0.61 C ATOM 1218 OH TYR A 88 68.094 34.201-120.993 1.00 0.73 O ATOM 0 H TYR A 88 62.467 30.851-121.037 1.00 0.45 H new ATOM 0 HA TYR A 88 64.024 30.576-118.547 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.251 32.704-119.788 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.820 32.840-118.136 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.240 33.035-117.637 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.805 32.822-121.680 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.442 33.823-118.461 1.00 0.64 H new ATOM 0 HE2 TYR A 88 66.010 33.605-122.504 1.00 0.62 H new ATOM 0 HH TYR A 88 68.155 34.049-121.959 1.00 0.73 H new ATOM 1228 N GLY A 89 60.851 30.040-118.751 1.00 0.59 N ATOM 1229 CA GLY A 89 59.659 29.576-117.999 1.00 0.69 C ATOM 1230 C GLY A 89 58.852 30.801-117.584 1.00 0.77 C ATOM 1231 O GLY A 89 58.363 30.894-116.475 1.00 1.09 O ATOM 0 H GLY A 89 60.744 30.055-119.765 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.053 28.913-118.617 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.962 29.005-117.121 1.00 0.69 H new ATOM 1235 N LEU A 90 58.694 31.737-118.479 1.00 0.65 N ATOM 1236 CA LEU A 90 57.902 32.957-118.162 1.00 0.75 C ATOM 1237 C LEU A 90 56.523 32.814-118.806 1.00 0.80 C ATOM 1238 O LEU A 90 55.660 33.655-118.656 1.00 1.31 O ATOM 1239 CB LEU A 90 58.607 34.189-118.744 1.00 0.82 C ATOM 1240 CG LEU A 90 59.091 35.101-117.616 1.00 1.03 C ATOM 1241 CD1 LEU A 90 57.890 35.768-116.945 1.00 1.50 C ATOM 1242 CD2 LEU A 90 59.866 34.275-116.587 1.00 1.68 C ATOM 0 H LEU A 90 59.082 31.708-119.422 1.00 0.65 H new ATOM 0 HA LEU A 90 57.807 33.074-117.083 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.452 33.878-119.358 1.00 0.82 H new ATOM 0 HB3 LEU A 90 57.924 34.734-119.395 1.00 0.82 H new ATOM 0 HG LEU A 90 59.745 35.870-118.027 1.00 1.03 H new ATOM 0 HD11 LEU A 90 58.237 36.418-116.141 1.00 1.50 H new ATOM 0 HD12 LEU A 90 57.345 36.360-117.680 1.00 1.50 H new ATOM 0 HD13 LEU A 90 57.231 35.003-116.534 1.00 1.50 H new ATOM 0 HD21 LEU A 90 60.211 34.926-115.783 1.00 1.68 H new ATOM 0 HD22 LEU A 90 59.215 33.503-116.175 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.725 33.807-117.068 1.00 1.68 H new