USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=6 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= -5.25! C(o=-16!,f=-22!) USER MOD Set 1.2: A 80 ASN : amide:sc= -10.4! C(o=-16!,f=-20!) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -7.47! C(o=-7.9!,f=-3.5!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -141:sc= -0.419 (180deg=0) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.195 (180deg=-1.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -4.25! C(o=-4.3!,f=-16!) USER MOD Single : A 27 GLN : amide:sc= -0.953 K(o=-0.95,f=-2!) USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= -0.297 (180deg=-1.52!) USER MOD Single : A 33 GLN : amide:sc= -5.96! C(o=-6!,f=-6.4!) USER MOD Single : A 36 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-0.55) USER MOD Single : A 60 LYS NZ :NH3+ -111:sc= -2.04! (180deg=-5.54!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.9!) USER MOD Single : A 87 LYS NZ :NH3+ -140:sc= 0.261 (180deg=-0.134) USER MOD Single : A 88 TYR OH : rot 121:sc= -10.3! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.216 50.246-123.749 1.00 0.57 N ATOM 24 CA GLU A 19 64.341 49.294-124.001 1.00 0.55 C ATOM 25 C GLU A 19 64.335 48.891-125.481 1.00 0.56 C ATOM 26 O GLU A 19 65.293 49.106-126.197 1.00 0.63 O ATOM 27 CB GLU A 19 64.205 48.055-123.101 1.00 0.45 C ATOM 28 CG GLU A 19 62.756 47.569-123.073 1.00 0.38 C ATOM 29 CD GLU A 19 61.878 48.610-122.377 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.431 49.513-121.771 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.668 48.485-122.458 1.00 2.06 O ATOM 0 HA GLU A 19 65.288 49.778-123.764 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.854 47.260-123.467 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.534 48.295-122.090 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.399 47.399-124.089 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.692 46.616-122.549 1.00 0.38 H new ATOM 38 N PHE A 20 63.250 48.340-125.952 1.00 0.51 N ATOM 39 CA PHE A 20 63.162 47.957-127.395 1.00 0.54 C ATOM 40 C PHE A 20 62.126 48.855-128.068 1.00 0.55 C ATOM 41 O PHE A 20 61.687 49.834-127.501 1.00 0.57 O ATOM 42 CB PHE A 20 62.712 46.502-127.525 1.00 0.52 C ATOM 43 CG PHE A 20 63.525 45.636-126.600 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.831 45.283-126.942 1.00 0.80 C ATOM 45 CD2 PHE A 20 62.967 45.191-125.402 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.584 44.478-126.080 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.717 44.385-124.537 1.00 0.51 C ATOM 48 CZ PHE A 20 65.028 44.028-124.877 1.00 0.56 C ATOM 0 H PHE A 20 62.417 48.137-125.400 1.00 0.51 H new ATOM 0 HA PHE A 20 64.139 48.072-127.864 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.653 46.416-127.283 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.832 46.164-128.554 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.260 45.630-127.870 1.00 0.80 H new ATOM 0 HD2 PHE A 20 61.956 45.468-125.141 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.595 44.204-126.343 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.285 44.039-123.609 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.609 43.406-124.212 1.00 0.56 H new ATOM 58 N ARG A 21 61.707 48.535-129.262 1.00 0.57 N ATOM 59 CA ARG A 21 60.683 49.380-129.936 1.00 0.60 C ATOM 60 C ARG A 21 59.491 48.488-130.274 1.00 0.57 C ATOM 61 O ARG A 21 58.537 48.901-130.904 1.00 0.59 O ATOM 62 CB ARG A 21 61.263 49.957-131.225 1.00 0.69 C ATOM 63 CG ARG A 21 62.484 50.819-130.902 1.00 0.74 C ATOM 64 CD ARG A 21 63.199 51.196-132.200 1.00 0.82 C ATOM 65 NE ARG A 21 64.156 52.308-131.938 1.00 1.35 N ATOM 66 CZ ARG A 21 65.079 52.593-132.816 1.00 1.78 C ATOM 67 NH1 ARG A 21 65.163 51.906-133.921 1.00 2.06 N ATOM 68 NH2 ARG A 21 65.918 53.566-132.586 1.00 2.72 N ATOM 0 H ARG A 21 62.028 47.728-129.797 1.00 0.57 H new ATOM 0 HA ARG A 21 60.379 50.200-129.286 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.545 49.150-131.901 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.510 50.555-131.738 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.177 51.719-130.369 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.163 50.275-130.245 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.730 50.332-132.599 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.472 51.498-132.953 1.00 0.82 H new ATOM 0 HE ARG A 21 64.090 52.846-131.074 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.507 51.145-134.100 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.884 52.129-134.607 1.00 2.06 H new ATOM 0 HH21 ARG A 21 65.852 54.103-131.721 1.00 2.72 H new ATOM 0 HH22 ARG A 21 66.640 53.790-133.271 1.00 2.72 H new ATOM 82 N MET A 22 59.551 47.260-129.845 1.00 0.54 N ATOM 83 CA MET A 22 58.440 46.308-130.114 1.00 0.55 C ATOM 84 C MET A 22 57.628 46.121-128.834 1.00 0.49 C ATOM 85 O MET A 22 58.161 45.801-127.791 1.00 0.63 O ATOM 86 CB MET A 22 59.014 44.962-130.557 1.00 0.61 C ATOM 87 CG MET A 22 59.299 45.001-132.059 1.00 0.71 C ATOM 88 SD MET A 22 57.739 44.933-132.973 1.00 1.14 S ATOM 89 CE MET A 22 57.863 46.561-133.751 1.00 1.25 C ATOM 0 H MET A 22 60.330 46.871-129.314 1.00 0.54 H new ATOM 0 HA MET A 22 57.800 46.701-130.904 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.930 44.746-130.007 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.310 44.161-130.330 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.842 45.911-132.313 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.935 44.162-132.341 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.248 46.582-134.651 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.514 47.324-133.055 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.901 46.759-134.016 1.00 1.25 H new ATOM 99 N GLU A 23 56.344 46.327-128.901 1.00 0.47 N ATOM 100 CA GLU A 23 55.506 46.171-127.682 1.00 0.46 C ATOM 101 C GLU A 23 55.684 44.768-127.103 1.00 0.50 C ATOM 102 O GLU A 23 55.787 44.596-125.905 1.00 0.50 O ATOM 103 CB GLU A 23 54.035 46.393-128.039 1.00 0.50 C ATOM 104 CG GLU A 23 53.798 47.876-128.333 1.00 1.45 C ATOM 105 CD GLU A 23 52.301 48.125-128.524 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.556 47.159-128.540 1.00 2.68 O ATOM 107 OE2 GLU A 23 51.924 49.278-128.650 1.00 2.48 O ATOM 0 H GLU A 23 55.839 46.596-129.745 1.00 0.47 H new ATOM 0 HA GLU A 23 55.816 46.907-126.940 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.766 45.792-128.908 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.397 46.068-127.217 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.177 48.485-127.513 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.344 48.172-129.229 1.00 1.45 H new ATOM 114 N LYS A 24 55.721 43.761-127.930 1.00 0.54 N ATOM 115 CA LYS A 24 55.891 42.381-127.398 1.00 0.59 C ATOM 116 C LYS A 24 57.130 42.330-126.507 1.00 0.53 C ATOM 117 O LYS A 24 57.078 41.867-125.384 1.00 0.55 O ATOM 118 CB LYS A 24 56.045 41.395-128.559 1.00 0.67 C ATOM 119 CG LYS A 24 57.504 41.354-129.015 1.00 0.64 C ATOM 120 CD LYS A 24 57.619 40.512-130.286 1.00 0.77 C ATOM 121 CE LYS A 24 57.221 41.360-131.497 1.00 1.46 C ATOM 122 NZ LYS A 24 56.329 40.566-132.389 1.00 2.09 N ATOM 0 H LYS A 24 55.641 43.833-128.944 1.00 0.54 H new ATOM 0 HA LYS A 24 55.013 42.107-126.813 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.724 40.401-128.249 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.404 41.693-129.388 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.866 42.365-129.202 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.130 40.932-128.229 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.640 40.148-130.403 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.975 39.636-130.214 1.00 0.77 H new ATOM 0 HE2 LYS A 24 56.711 42.266-131.168 1.00 1.46 H new ATOM 0 HE3 LYS A 24 58.111 41.675-132.042 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.059 41.142-133.212 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.831 39.714-132.713 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 55.474 40.287-131.866 1.00 2.09 H new ATOM 136 N LEU A 25 58.245 42.794-126.995 1.00 0.47 N ATOM 137 CA LEU A 25 59.490 42.766-126.179 1.00 0.42 C ATOM 138 C LEU A 25 59.306 43.613-124.923 1.00 0.39 C ATOM 139 O LEU A 25 59.497 43.154-123.824 1.00 0.55 O ATOM 140 CB LEU A 25 60.638 43.348-127.002 1.00 0.43 C ATOM 141 CG LEU A 25 61.282 42.252-127.846 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.452 42.754-129.282 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.653 41.909-127.260 1.00 1.03 C ATOM 0 H LEU A 25 58.348 43.193-127.928 1.00 0.47 H new ATOM 0 HA LEU A 25 59.711 41.737-125.895 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.267 44.145-127.647 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.381 43.793-126.341 1.00 0.43 H new ATOM 0 HG LEU A 25 60.650 41.364-127.844 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.912 41.974-129.888 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.476 43.008-129.697 1.00 0.92 H new ATOM 0 HD13 LEU A 25 62.089 43.639-129.285 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.119 41.126-127.858 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.285 42.797-127.269 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.533 41.559-126.235 1.00 1.03 H new ATOM 155 N ASN A 26 58.939 44.850-125.085 1.00 0.39 N ATOM 156 CA ASN A 26 58.750 45.714-123.885 1.00 0.37 C ATOM 157 C ASN A 26 57.856 44.963-122.904 1.00 0.40 C ATOM 158 O ASN A 26 58.220 44.698-121.776 1.00 0.40 O ATOM 159 CB ASN A 26 58.086 47.034-124.273 1.00 0.41 C ATOM 160 CG ASN A 26 58.644 47.514-125.615 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.387 46.806-126.265 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.314 48.695-126.059 1.00 0.45 N ATOM 0 H ASN A 26 58.763 45.299-125.984 1.00 0.39 H new ATOM 0 HA ASN A 26 59.717 45.939-123.435 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.006 46.903-124.343 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.267 47.784-123.503 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.680 49.025-126.952 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.690 49.289-125.513 1.00 0.45 H new ATOM 169 N GLN A 27 56.683 44.620-123.346 1.00 0.44 N ATOM 170 CA GLN A 27 55.738 43.882-122.469 1.00 0.50 C ATOM 171 C GLN A 27 56.488 42.742-121.778 1.00 0.47 C ATOM 172 O GLN A 27 56.449 42.599-120.569 1.00 0.48 O ATOM 173 CB GLN A 27 54.596 43.310-123.313 1.00 0.59 C ATOM 174 CG GLN A 27 53.580 44.413-123.615 1.00 0.58 C ATOM 175 CD GLN A 27 52.988 44.933-122.304 1.00 1.39 C ATOM 176 OE1 GLN A 27 53.528 45.836-121.695 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.890 44.400-121.840 1.00 2.02 N ATOM 0 H GLN A 27 56.335 44.820-124.284 1.00 0.44 H new ATOM 0 HA GLN A 27 55.325 44.558-121.720 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.988 42.898-124.243 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.112 42.491-122.781 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.061 45.227-124.157 1.00 0.58 H new ATOM 0 HG3 GLN A 27 52.788 44.027-124.256 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.436 43.642-122.350 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.486 44.741-120.968 1.00 2.02 H new ATOM 186 N LEU A 28 57.164 41.921-122.536 1.00 0.47 N ATOM 187 CA LEU A 28 57.907 40.778-121.930 1.00 0.47 C ATOM 188 C LEU A 28 58.968 41.287-120.953 1.00 0.39 C ATOM 189 O LEU A 28 59.090 40.791-119.850 1.00 0.50 O ATOM 190 CB LEU A 28 58.588 39.971-123.038 1.00 0.50 C ATOM 191 CG LEU A 28 57.540 39.159-123.799 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.146 38.640-125.105 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.092 37.974-122.940 1.00 1.21 C ATOM 0 H LEU A 28 57.234 41.993-123.551 1.00 0.47 H new ATOM 0 HA LEU A 28 57.201 40.148-121.389 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.110 40.641-123.721 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.337 39.306-122.609 1.00 0.50 H new ATOM 0 HG LEU A 28 56.682 39.792-124.023 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.399 38.061-125.648 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.467 39.483-125.717 1.00 1.41 H new ATOM 0 HD13 LEU A 28 59.004 38.006-124.881 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.345 37.394-123.481 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.951 37.341-122.717 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.661 38.342-122.009 1.00 1.21 H new ATOM 205 N TRP A 29 59.735 42.270-121.334 1.00 0.37 N ATOM 206 CA TRP A 29 60.782 42.814-120.432 1.00 0.30 C ATOM 207 C TRP A 29 60.130 43.211-119.112 1.00 0.36 C ATOM 208 O TRP A 29 60.444 42.684-118.057 1.00 0.39 O ATOM 209 CB TRP A 29 61.364 44.045-121.136 1.00 0.32 C ATOM 210 CG TRP A 29 62.526 44.617-120.401 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.705 45.937-120.195 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.677 43.948-119.805 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.884 46.130-119.510 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.520 44.936-119.240 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.070 42.601-119.693 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.706 44.601-118.591 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.265 42.262-119.039 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.080 43.261-118.489 1.00 0.41 C ATOM 0 H TRP A 29 59.678 42.724-122.245 1.00 0.37 H new ATOM 0 HA TRP A 29 61.567 42.087-120.223 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.673 43.772-122.145 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.589 44.805-121.235 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.032 46.718-120.516 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.243 47.044-119.236 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.449 41.824-120.113 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.332 45.374-118.170 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.558 41.226-118.959 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.998 42.993-117.986 1.00 0.41 H new ATOM 229 N GLU A 30 59.224 44.142-119.168 1.00 0.45 N ATOM 230 CA GLU A 30 58.546 44.579-117.924 1.00 0.56 C ATOM 231 C GLU A 30 58.163 43.326-117.136 1.00 0.50 C ATOM 232 O GLU A 30 58.374 43.237-115.943 1.00 0.52 O ATOM 233 CB GLU A 30 57.285 45.373-118.278 1.00 0.68 C ATOM 234 CG GLU A 30 57.649 46.845-118.481 1.00 0.86 C ATOM 235 CD GLU A 30 56.377 47.655-118.737 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.311 47.063-118.738 1.00 2.06 O ATOM 237 OE2 GLU A 30 56.492 48.855-118.929 1.00 2.33 O ATOM 0 H GLU A 30 58.925 44.617-120.019 1.00 0.45 H new ATOM 0 HA GLU A 30 59.204 45.215-117.332 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.832 44.971-119.184 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.546 45.276-117.482 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.165 47.228-117.601 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.334 46.948-119.322 1.00 0.86 H new ATOM 244 N LYS A 31 57.606 42.354-117.807 1.00 0.46 N ATOM 245 CA LYS A 31 57.210 41.097-117.114 1.00 0.45 C ATOM 246 C LYS A 31 58.426 40.484-116.408 1.00 0.43 C ATOM 247 O LYS A 31 58.381 40.166-115.233 1.00 0.46 O ATOM 248 CB LYS A 31 56.662 40.102-118.140 1.00 0.44 C ATOM 249 CG LYS A 31 55.226 39.726-117.773 1.00 0.91 C ATOM 250 CD LYS A 31 54.753 38.581-118.671 1.00 0.99 C ATOM 251 CE LYS A 31 54.424 39.126-120.061 1.00 1.36 C ATOM 252 NZ LYS A 31 53.438 40.236-119.940 1.00 2.08 N ATOM 0 H LYS A 31 57.408 42.378-118.807 1.00 0.46 H new ATOM 0 HA LYS A 31 56.442 41.322-116.374 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.690 40.540-119.138 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.287 39.209-118.166 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.173 39.427-116.726 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.571 40.589-117.891 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.527 37.817-118.742 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.874 38.104-118.238 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.332 39.483-120.547 1.00 1.36 H new ATOM 0 HE3 LYS A 31 54.018 38.332-120.688 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.802 40.227-120.763 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.881 40.112-119.071 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.942 41.145-119.901 1.00 2.08 H new ATOM 266 N ALA A 32 59.517 40.305-117.107 1.00 0.41 N ATOM 267 CA ALA A 32 60.709 39.703-116.448 1.00 0.41 C ATOM 268 C ALA A 32 61.075 40.527-115.220 1.00 0.41 C ATOM 269 O ALA A 32 61.041 40.037-114.104 1.00 0.42 O ATOM 270 CB ALA A 32 61.899 39.676-117.409 1.00 0.42 C ATOM 0 H ALA A 32 59.632 40.546-118.091 1.00 0.41 H new ATOM 0 HA ALA A 32 60.469 38.681-116.156 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.760 39.233-116.909 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.644 39.083-118.287 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.142 40.693-117.716 1.00 0.42 H new ATOM 276 N GLN A 33 61.421 41.777-115.386 1.00 0.43 N ATOM 277 CA GLN A 33 61.773 42.585-114.192 1.00 0.47 C ATOM 278 C GLN A 33 60.724 42.333-113.117 1.00 0.49 C ATOM 279 O GLN A 33 61.026 42.262-111.943 1.00 0.53 O ATOM 280 CB GLN A 33 61.800 44.069-114.568 1.00 0.51 C ATOM 281 CG GLN A 33 62.925 44.319-115.579 1.00 0.53 C ATOM 282 CD GLN A 33 62.657 45.626-116.327 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.563 45.638-117.539 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.529 46.736-115.653 1.00 1.23 N ATOM 0 H GLN A 33 61.473 42.262-116.282 1.00 0.43 H new ATOM 0 HA GLN A 33 62.758 42.304-113.819 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.841 44.365-114.994 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.955 44.678-113.677 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.885 44.372-115.065 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.986 43.490-116.284 1.00 0.53 H new ATOM 0 HE21 GLN A 33 62.608 46.727-114.636 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.350 47.613-116.143 1.00 1.23 H new ATOM 293 N ARG A 34 59.490 42.178-113.511 1.00 0.49 N ATOM 294 CA ARG A 34 58.427 41.907-112.511 1.00 0.52 C ATOM 295 C ARG A 34 58.758 40.601-111.806 1.00 0.52 C ATOM 296 O ARG A 34 58.573 40.462-110.613 1.00 0.55 O ATOM 297 CB ARG A 34 57.078 41.782-113.214 1.00 0.56 C ATOM 298 CG ARG A 34 56.203 42.988-112.864 1.00 0.67 C ATOM 299 CD ARG A 34 56.710 44.220-113.618 1.00 1.59 C ATOM 300 NE ARG A 34 56.417 45.446-112.824 1.00 1.96 N ATOM 301 CZ ARG A 34 57.016 46.569-113.113 1.00 2.81 C ATOM 302 NH1 ARG A 34 57.875 46.615-114.095 1.00 3.42 N ATOM 303 NH2 ARG A 34 56.757 47.644-112.421 1.00 3.58 N ATOM 0 H ARG A 34 59.175 42.228-114.480 1.00 0.49 H new ATOM 0 HA ARG A 34 58.373 42.722-111.790 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.223 41.726-114.293 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.582 40.860-112.910 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.165 42.787-113.129 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.228 43.170-111.790 1.00 0.67 H new ATOM 0 HD2 ARG A 34 57.782 44.136-113.794 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.231 44.284-114.595 1.00 1.59 H new ATOM 0 HE ARG A 34 55.748 45.408-112.055 1.00 1.96 H new ATOM 0 HH11 ARG A 34 58.077 45.774-114.635 1.00 3.42 H new ATOM 0 HH12 ARG A 34 58.344 47.492-114.322 1.00 3.42 H new ATOM 0 HH21 ARG A 34 56.086 47.607-111.654 1.00 3.58 H new ATOM 0 HH22 ARG A 34 57.225 48.521-112.647 1.00 3.58 H new ATOM 317 N LEU A 35 59.292 39.657-112.525 1.00 0.50 N ATOM 318 CA LEU A 35 59.683 38.382-111.877 1.00 0.54 C ATOM 319 C LEU A 35 60.962 38.658-111.097 1.00 0.55 C ATOM 320 O LEU A 35 61.394 37.883-110.268 1.00 0.61 O ATOM 321 CB LEU A 35 59.934 37.309-112.937 1.00 0.57 C ATOM 322 CG LEU A 35 58.618 36.611-113.273 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.790 37.500-114.204 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.911 35.279-113.963 1.00 0.84 C ATOM 0 H LEU A 35 59.473 39.714-113.527 1.00 0.50 H new ATOM 0 HA LEU A 35 58.894 38.020-111.218 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.358 37.760-113.834 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.660 36.583-112.571 1.00 0.57 H new ATOM 0 HG LEU A 35 58.058 36.429-112.356 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.851 37.001-114.443 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.581 38.449-113.710 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.348 37.684-115.122 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.972 34.780-114.203 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.471 35.460-114.880 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.499 34.646-113.298 1.00 0.84 H new ATOM 336 N HIS A 36 61.552 39.789-111.366 1.00 0.53 N ATOM 337 CA HIS A 36 62.804 40.186-110.653 1.00 0.58 C ATOM 338 C HIS A 36 63.921 39.163-110.888 1.00 0.49 C ATOM 339 O HIS A 36 64.396 38.522-109.973 1.00 1.37 O ATOM 340 CB HIS A 36 62.524 40.292-109.153 1.00 0.98 C ATOM 341 CG HIS A 36 62.009 41.669-108.835 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.682 42.531-107.985 1.00 1.89 N ATOM 343 CD2 HIS A 36 60.888 42.346-109.246 1.00 1.60 C ATOM 344 CE1 HIS A 36 61.967 43.668-107.911 1.00 2.32 C ATOM 345 NE2 HIS A 36 60.864 43.609-108.662 1.00 2.17 N ATOM 0 H HIS A 36 61.219 40.463-112.055 1.00 0.53 H new ATOM 0 HA HIS A 36 63.130 41.150-111.044 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.793 39.541-108.855 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.434 40.093-108.587 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.139 41.958-109.920 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.250 44.524-107.317 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.156 44.334-108.782 1.00 2.17 H new ATOM 353 N LEU A 37 64.321 38.992-112.114 1.00 0.59 N ATOM 354 CA LEU A 37 65.385 37.987-112.397 1.00 0.43 C ATOM 355 C LEU A 37 66.744 38.662-112.187 1.00 0.44 C ATOM 356 O LEU A 37 66.995 39.730-112.709 1.00 0.42 O ATOM 357 CB LEU A 37 65.312 37.513-113.852 1.00 0.53 C ATOM 358 CG LEU A 37 63.872 37.196-114.246 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.058 38.490-114.288 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.868 36.554-115.637 1.00 0.82 C ATOM 0 H LEU A 37 63.964 39.497-112.925 1.00 0.59 H new ATOM 0 HA LEU A 37 65.251 37.131-111.735 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.713 38.283-114.511 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.933 36.627-113.982 1.00 0.53 H new ATOM 0 HG LEU A 37 63.433 36.514-113.518 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.030 38.264-114.569 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.070 38.960-113.304 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.493 39.170-115.020 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.843 36.323-115.928 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.303 37.246-116.358 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.455 35.636-115.616 1.00 0.82 H new ATOM 372 N PRO A 38 67.617 38.053-111.416 1.00 0.57 N ATOM 373 CA PRO A 38 68.952 38.645-111.147 1.00 0.66 C ATOM 374 C PRO A 38 69.594 39.167-112.420 1.00 0.58 C ATOM 375 O PRO A 38 69.297 38.700-113.492 1.00 0.52 O ATOM 376 CB PRO A 38 69.729 37.450-110.594 1.00 0.81 C ATOM 377 CG PRO A 38 68.719 36.361-110.203 1.00 0.82 C ATOM 378 CD PRO A 38 67.344 36.740-110.775 1.00 0.69 C ATOM 0 HA PRO A 38 68.919 39.501-110.473 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.426 37.071-111.341 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.320 37.749-109.728 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.037 35.393-110.591 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.665 36.267-109.118 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.986 36.003-111.494 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.587 36.818-109.995 1.00 0.69 H new ATOM 386 N PRO A 39 70.466 40.125-112.314 1.00 0.62 N ATOM 387 CA PRO A 39 71.129 40.679-113.515 1.00 0.60 C ATOM 388 C PRO A 39 71.686 39.571-114.407 1.00 0.53 C ATOM 389 O PRO A 39 71.457 39.540-115.588 1.00 0.51 O ATOM 390 CB PRO A 39 72.250 41.526-112.909 1.00 0.74 C ATOM 391 CG PRO A 39 72.032 41.614-111.390 1.00 0.81 C ATOM 392 CD PRO A 39 70.853 40.711-111.008 1.00 0.74 C ATOM 0 HA PRO A 39 70.457 41.244-114.161 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.221 41.080-113.127 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.251 42.523-113.349 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.933 41.303-110.861 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.829 42.644-111.097 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.144 39.945-110.289 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.037 41.277-110.558 1.00 0.74 H new ATOM 400 N VAL A 40 72.449 38.689-113.841 1.00 0.52 N ATOM 401 CA VAL A 40 73.072 37.590-114.630 1.00 0.47 C ATOM 402 C VAL A 40 72.013 36.869-115.462 1.00 0.41 C ATOM 403 O VAL A 40 72.095 36.786-116.680 1.00 0.37 O ATOM 404 CB VAL A 40 73.729 36.601-113.661 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.697 35.592-113.155 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.862 35.860-114.374 1.00 0.50 C ATOM 0 H VAL A 40 72.674 38.679-112.846 1.00 0.52 H new ATOM 0 HA VAL A 40 73.820 38.005-115.306 1.00 0.47 H new ATOM 0 HB VAL A 40 74.131 37.153-112.811 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.176 34.895-112.468 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.896 36.119-112.637 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.282 35.041-113.999 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.328 35.157-113.684 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.460 35.316-115.229 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.606 36.578-114.718 1.00 0.50 H new ATOM 416 N ARG A 41 71.006 36.363-114.823 1.00 0.42 N ATOM 417 CA ARG A 41 69.939 35.656-115.572 1.00 0.40 C ATOM 418 C ARG A 41 69.131 36.686-116.339 1.00 0.34 C ATOM 419 O ARG A 41 68.474 36.380-117.317 1.00 0.30 O ATOM 420 CB ARG A 41 69.026 34.911-114.595 1.00 0.46 C ATOM 421 CG ARG A 41 68.210 33.866-115.357 1.00 0.87 C ATOM 422 CD ARG A 41 67.152 33.270-114.429 1.00 1.00 C ATOM 423 NE ARG A 41 67.151 31.782-114.557 1.00 1.53 N ATOM 424 CZ ARG A 41 67.274 31.215-115.729 1.00 2.18 C ATOM 425 NH1 ARG A 41 67.338 31.944-116.810 1.00 2.54 N ATOM 426 NH2 ARG A 41 67.315 29.914-115.819 1.00 3.12 N ATOM 0 H ARG A 41 70.874 36.407-113.813 1.00 0.42 H new ATOM 0 HA ARG A 41 70.381 34.935-116.260 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.621 34.429-113.820 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.360 35.614-114.095 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.733 34.323-116.224 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.865 33.080-115.731 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.357 33.556-113.397 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.169 33.667-114.681 1.00 1.00 H new ATOM 0 HE ARG A 41 67.054 31.203-113.723 1.00 1.53 H new ATOM 0 HH11 ARG A 41 67.292 32.961-116.743 1.00 2.54 H new ATOM 0 HH12 ARG A 41 67.434 31.497-117.722 1.00 2.54 H new ATOM 0 HH21 ARG A 41 67.251 29.342-114.977 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.411 29.469-116.732 1.00 3.12 H new ATOM 440 N LEU A 42 69.182 37.915-115.911 1.00 0.35 N ATOM 441 CA LEU A 42 68.420 38.959-116.633 1.00 0.30 C ATOM 442 C LEU A 42 69.222 39.361-117.860 1.00 0.31 C ATOM 443 O LEU A 42 68.681 39.831-118.831 1.00 0.49 O ATOM 444 CB LEU A 42 68.165 40.167-115.734 1.00 0.32 C ATOM 445 CG LEU A 42 66.956 40.939-116.271 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.662 40.247-115.851 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.960 42.357-115.695 1.00 0.60 C ATOM 0 H LEU A 42 69.713 38.236-115.101 1.00 0.35 H new ATOM 0 HA LEU A 42 67.447 38.570-116.932 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.980 39.842-114.710 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.044 40.812-115.711 1.00 0.32 H new ATOM 0 HG LEU A 42 67.017 40.973-117.359 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.809 40.804-116.238 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.645 39.233-116.251 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.607 40.208-114.763 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.100 42.907-116.077 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.906 42.308-114.607 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.877 42.867-115.990 1.00 0.60 H new ATOM 459 N ALA A 43 70.507 39.135-117.847 1.00 0.30 N ATOM 460 CA ALA A 43 71.324 39.449-119.038 1.00 0.30 C ATOM 461 C ALA A 43 71.069 38.304-120.000 1.00 0.29 C ATOM 462 O ALA A 43 71.056 38.455-121.197 1.00 0.28 O ATOM 463 CB ALA A 43 72.805 39.499-118.656 1.00 0.36 C ATOM 0 H ALA A 43 71.022 38.745-117.057 1.00 0.30 H new ATOM 0 HA ALA A 43 71.069 40.415-119.474 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.401 39.731-119.539 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.960 40.270-117.901 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.110 38.532-118.256 1.00 0.36 H new ATOM 469 N GLU A 44 70.843 37.150-119.450 1.00 0.30 N ATOM 470 CA GLU A 44 70.544 35.992-120.327 1.00 0.32 C ATOM 471 C GLU A 44 69.224 36.304-121.042 1.00 0.30 C ATOM 472 O GLU A 44 69.174 36.436-122.249 1.00 0.34 O ATOM 473 CB GLU A 44 70.402 34.721-119.487 1.00 0.37 C ATOM 474 CG GLU A 44 70.452 33.493-120.400 1.00 1.15 C ATOM 475 CD GLU A 44 69.444 32.453-119.912 1.00 2.05 C ATOM 476 OE1 GLU A 44 69.453 32.156-118.728 1.00 2.80 O ATOM 477 OE2 GLU A 44 68.678 31.968-120.730 1.00 2.92 O ATOM 0 H GLU A 44 70.852 36.959-118.448 1.00 0.30 H new ATOM 0 HA GLU A 44 71.346 35.828-121.046 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.202 34.670-118.748 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.461 34.740-118.937 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.225 33.781-121.427 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.456 33.069-120.402 1.00 1.15 H new ATOM 484 N LEU A 45 68.153 36.416-120.301 1.00 0.28 N ATOM 485 CA LEU A 45 66.819 36.711-120.923 1.00 0.29 C ATOM 486 C LEU A 45 66.810 38.109-121.562 1.00 0.24 C ATOM 487 O LEU A 45 66.187 38.325-122.582 1.00 0.25 O ATOM 488 CB LEU A 45 65.734 36.642-119.844 1.00 0.34 C ATOM 489 CG LEU A 45 64.371 36.974-120.458 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.651 35.680-120.842 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.528 37.739-119.436 1.00 0.77 C ATOM 0 H LEU A 45 68.140 36.316-119.286 1.00 0.28 H new ATOM 0 HA LEU A 45 66.626 35.972-121.701 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.711 35.646-119.401 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.962 37.343-119.041 1.00 0.34 H new ATOM 0 HG LEU A 45 64.514 37.586-121.348 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.681 35.919-121.279 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.251 35.132-121.568 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.507 35.066-119.953 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.557 37.977-119.870 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.387 37.124-118.547 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.038 38.662-119.161 1.00 0.77 H new ATOM 503 N HIS A 46 67.509 39.053-120.992 1.00 0.21 N ATOM 504 CA HIS A 46 67.542 40.416-121.603 1.00 0.20 C ATOM 505 C HIS A 46 68.389 40.355-122.876 1.00 0.19 C ATOM 506 O HIS A 46 67.982 40.792-123.934 1.00 0.21 O ATOM 507 CB HIS A 46 68.159 41.417-120.623 1.00 0.23 C ATOM 508 CG HIS A 46 68.103 42.799-121.215 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.203 43.394-121.810 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.085 43.717-121.306 1.00 0.27 C ATOM 511 CE1 HIS A 46 68.827 44.615-122.230 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.545 44.863-121.947 1.00 0.31 N ATOM 0 H HIS A 46 68.055 38.943-120.137 1.00 0.21 H new ATOM 0 HA HIS A 46 66.528 40.740-121.839 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.620 41.394-119.676 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.192 41.143-120.409 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.081 43.571-120.936 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.482 45.310-122.735 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.017 45.710-122.156 1.00 0.31 H new ATOM 520 N ALA A 47 69.563 39.802-122.771 1.00 0.19 N ATOM 521 CA ALA A 47 70.462 39.684-123.954 1.00 0.22 C ATOM 522 C ALA A 47 69.735 38.934-125.062 1.00 0.21 C ATOM 523 O ALA A 47 69.540 39.441-126.148 1.00 0.22 O ATOM 524 CB ALA A 47 71.718 38.903-123.556 1.00 0.27 C ATOM 0 H ALA A 47 69.944 39.421-121.905 1.00 0.19 H new ATOM 0 HA ALA A 47 70.742 40.677-124.305 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.379 38.814-124.418 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.236 39.430-122.755 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.434 37.908-123.212 1.00 0.27 H new ATOM 530 N ASP A 48 69.313 37.733-124.793 1.00 0.22 N ATOM 531 CA ASP A 48 68.579 36.966-125.833 1.00 0.25 C ATOM 532 C ASP A 48 67.437 37.842-126.330 1.00 0.22 C ATOM 533 O ASP A 48 67.256 38.043-127.512 1.00 0.25 O ATOM 534 CB ASP A 48 68.020 35.675-125.229 1.00 0.28 C ATOM 535 CG ASP A 48 69.174 34.734-124.878 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.311 35.113-125.099 1.00 0.94 O ATOM 537 OD2 ASP A 48 68.899 33.648-124.394 1.00 0.84 O ATOM 0 H ASP A 48 69.443 37.251-123.903 1.00 0.22 H new ATOM 0 HA ASP A 48 69.244 36.700-126.655 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.437 35.901-124.336 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.346 35.192-125.936 1.00 0.28 H new ATOM 542 N LEU A 49 66.676 38.380-125.422 1.00 0.19 N ATOM 543 CA LEU A 49 65.558 39.264-125.834 1.00 0.19 C ATOM 544 C LEU A 49 66.110 40.306-126.810 1.00 0.18 C ATOM 545 O LEU A 49 65.475 40.651-127.787 1.00 0.19 O ATOM 546 CB LEU A 49 64.954 39.948-124.608 1.00 0.18 C ATOM 547 CG LEU A 49 63.881 39.038-124.005 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.260 39.715-122.784 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.791 38.771-125.046 1.00 0.89 C ATOM 0 H LEU A 49 66.780 38.246-124.416 1.00 0.19 H new ATOM 0 HA LEU A 49 64.773 38.682-126.317 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.731 40.153-123.871 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.519 40.907-124.889 1.00 0.18 H new ATOM 0 HG LEU A 49 64.337 38.095-123.705 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.496 39.065-122.357 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.034 39.904-122.040 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.806 40.660-123.083 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.028 38.123-124.615 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.337 39.715-125.348 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.231 38.285-125.917 1.00 0.89 H new ATOM 561 N LYS A 50 67.305 40.788-126.576 1.00 0.20 N ATOM 562 CA LYS A 50 67.895 41.778-127.521 1.00 0.21 C ATOM 563 C LYS A 50 68.178 41.054-128.835 1.00 0.23 C ATOM 564 O LYS A 50 67.690 41.420-129.882 1.00 0.24 O ATOM 565 CB LYS A 50 69.207 42.331-126.952 1.00 0.24 C ATOM 566 CG LYS A 50 68.909 43.384-125.882 1.00 0.36 C ATOM 567 CD LYS A 50 70.137 43.564-124.986 1.00 0.84 C ATOM 568 CE LYS A 50 70.571 45.030-125.004 1.00 1.09 C ATOM 569 NZ LYS A 50 71.497 45.290-123.867 1.00 1.84 N ATOM 0 H LYS A 50 67.891 40.540-125.779 1.00 0.20 H new ATOM 0 HA LYS A 50 67.206 42.609-127.675 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.797 41.521-126.523 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.803 42.771-127.751 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.647 44.332-126.352 1.00 0.36 H new ATOM 0 HG3 LYS A 50 68.051 43.077-125.284 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.905 43.255-123.967 1.00 0.84 H new ATOM 0 HD3 LYS A 50 70.951 42.928-125.335 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.064 45.262-125.948 1.00 1.09 H new ATOM 0 HE3 LYS A 50 69.698 45.679-124.931 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.293 46.225-123.460 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.366 44.560-123.138 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 72.480 45.267-124.207 1.00 1.84 H new ATOM 583 N ILE A 51 68.959 40.017-128.778 1.00 0.25 N ATOM 584 CA ILE A 51 69.256 39.274-130.030 1.00 0.27 C ATOM 585 C ILE A 51 67.929 39.132-130.771 1.00 0.26 C ATOM 586 O ILE A 51 67.752 39.629-131.877 1.00 0.25 O ATOM 587 CB ILE A 51 69.818 37.890-129.698 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.325 37.999-129.463 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.551 36.935-130.863 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.589 38.979-128.320 1.00 0.30 C ATOM 0 H ILE A 51 69.400 39.655-127.932 1.00 0.25 H new ATOM 0 HA ILE A 51 69.996 39.798-130.635 1.00 0.27 H new ATOM 0 HB ILE A 51 69.334 37.507-128.799 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.739 37.020-129.221 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.823 38.339-130.371 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.952 35.950-130.625 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.477 36.859-131.032 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.034 37.315-131.763 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.663 39.059-128.150 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.189 39.959-128.581 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.104 38.619-127.413 1.00 0.30 H new ATOM 602 N GLN A 52 66.973 38.493-130.157 1.00 0.26 N ATOM 603 CA GLN A 52 65.651 38.358-130.803 1.00 0.27 C ATOM 604 C GLN A 52 65.153 39.758-131.161 1.00 0.24 C ATOM 605 O GLN A 52 64.377 39.924-132.067 1.00 0.26 O ATOM 606 CB GLN A 52 64.673 37.688-129.835 1.00 0.32 C ATOM 607 CG GLN A 52 63.553 37.011-130.626 1.00 0.45 C ATOM 608 CD GLN A 52 64.069 35.696-131.215 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.550 34.843-130.497 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.988 35.498-132.502 1.00 0.48 N ATOM 0 H GLN A 52 67.056 38.061-129.237 1.00 0.26 H new ATOM 0 HA GLN A 52 65.726 37.745-131.701 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.196 36.953-129.224 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.255 38.429-129.154 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.698 36.821-129.977 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.207 37.669-131.424 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.584 36.215-133.104 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.329 34.626-132.906 1.00 0.48 H new ATOM 619 N GLU A 53 65.589 40.771-130.450 1.00 0.23 N ATOM 620 CA GLU A 53 65.126 42.152-130.781 1.00 0.23 C ATOM 621 C GLU A 53 65.782 42.602-132.083 1.00 0.20 C ATOM 622 O GLU A 53 65.179 43.281-132.882 1.00 0.21 O ATOM 623 CB GLU A 53 65.508 43.130-129.672 1.00 0.25 C ATOM 624 CG GLU A 53 65.171 44.557-130.119 1.00 0.28 C ATOM 625 CD GLU A 53 66.381 45.463-129.875 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.168 45.142-128.999 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.501 46.460-130.566 1.00 1.04 O ATOM 0 H GLU A 53 66.237 40.701-129.665 1.00 0.23 H new ATOM 0 HA GLU A 53 64.041 42.140-130.885 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.970 42.887-128.755 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.572 43.048-129.449 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.903 44.566-131.175 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.307 44.929-129.568 1.00 0.28 H new ATOM 634 N ARG A 54 67.010 42.236-132.313 1.00 0.22 N ATOM 635 CA ARG A 54 67.671 42.653-133.577 1.00 0.22 C ATOM 636 C ARG A 54 66.988 41.936-134.732 1.00 0.20 C ATOM 637 O ARG A 54 66.834 42.464-135.819 1.00 0.21 O ATOM 638 CB ARG A 54 69.140 42.241-133.533 1.00 0.24 C ATOM 639 CG ARG A 54 69.909 43.200-132.627 1.00 0.27 C ATOM 640 CD ARG A 54 71.367 43.277-133.082 1.00 0.85 C ATOM 641 NE ARG A 54 72.049 41.986-132.786 1.00 1.55 N ATOM 642 CZ ARG A 54 73.196 41.709-133.346 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.744 42.565-134.166 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.793 40.579-133.086 1.00 3.03 N ATOM 0 H ARG A 54 67.581 41.670-131.685 1.00 0.22 H new ATOM 0 HA ARG A 54 67.598 43.733-133.704 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.232 41.220-133.162 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.563 42.254-134.537 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.455 44.190-132.659 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.858 42.859-131.593 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.415 43.489-134.150 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.876 44.095-132.571 1.00 0.85 H new ATOM 0 HE ARG A 54 71.620 41.318-132.146 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.276 43.449-134.368 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.640 42.350-134.604 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.364 39.911-132.445 1.00 3.03 H new ATOM 0 HH22 ARG A 54 74.689 40.363-133.524 1.00 3.03 H new ATOM 658 N ASP A 55 66.550 40.740-134.482 1.00 0.20 N ATOM 659 CA ASP A 55 65.845 39.967-135.545 1.00 0.21 C ATOM 660 C ASP A 55 64.370 40.383-135.591 1.00 0.21 C ATOM 661 O ASP A 55 63.767 40.487-136.647 1.00 0.20 O ATOM 662 CB ASP A 55 65.946 38.471-135.240 1.00 0.25 C ATOM 663 CG ASP A 55 67.406 38.026-135.338 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.247 38.873-135.589 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.658 36.845-135.162 1.00 0.84 O ATOM 0 H ASP A 55 66.647 40.259-133.588 1.00 0.20 H new ATOM 0 HA ASP A 55 66.308 40.173-136.510 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.559 38.266-134.242 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.334 37.904-135.942 1.00 0.25 H new ATOM 670 N GLU A 56 63.787 40.659-134.458 1.00 0.27 N ATOM 671 CA GLU A 56 62.367 41.087-134.447 1.00 0.32 C ATOM 672 C GLU A 56 62.291 42.489-135.014 1.00 0.30 C ATOM 673 O GLU A 56 61.521 42.760-135.910 1.00 0.31 O ATOM 674 CB GLU A 56 61.813 41.062-133.024 1.00 0.39 C ATOM 675 CG GLU A 56 61.788 39.622-132.509 1.00 0.44 C ATOM 676 CD GLU A 56 61.898 39.624-130.984 1.00 0.89 C ATOM 677 OE1 GLU A 56 62.854 40.187-130.478 1.00 1.72 O ATOM 678 OE2 GLU A 56 61.023 39.062-130.346 1.00 1.39 O ATOM 0 H GLU A 56 64.234 40.606-133.543 1.00 0.27 H new ATOM 0 HA GLU A 56 61.769 40.405-135.051 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.429 41.681-132.372 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.808 41.483-133.007 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.865 39.130-132.817 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.612 39.055-132.943 1.00 0.44 H new ATOM 685 N LEU A 57 63.115 43.378-134.547 1.00 0.30 N ATOM 686 CA LEU A 57 63.100 44.734-135.129 1.00 0.32 C ATOM 687 C LEU A 57 63.403 44.563-136.614 1.00 0.28 C ATOM 688 O LEU A 57 62.697 45.054-137.471 1.00 0.29 O ATOM 689 CB LEU A 57 64.173 45.607-134.475 1.00 0.36 C ATOM 690 CG LEU A 57 63.599 46.266-133.220 1.00 0.50 C ATOM 691 CD1 LEU A 57 62.809 45.235-132.411 1.00 1.08 C ATOM 692 CD2 LEU A 57 64.742 46.820-132.368 1.00 1.22 C ATOM 0 H LEU A 57 63.789 43.224-133.797 1.00 0.30 H new ATOM 0 HA LEU A 57 62.138 45.221-134.969 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.041 45.001-134.216 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.514 46.369-135.176 1.00 0.36 H new ATOM 0 HG LEU A 57 62.934 47.080-133.511 1.00 0.50 H new ATOM 0 HD11 LEU A 57 62.402 45.708-131.518 1.00 1.08 H new ATOM 0 HD12 LEU A 57 61.993 44.844-133.018 1.00 1.08 H new ATOM 0 HD13 LEU A 57 63.469 44.418-132.120 1.00 1.08 H new ATOM 0 HD21 LEU A 57 64.334 47.290-131.473 1.00 1.22 H new ATOM 0 HD22 LEU A 57 65.408 46.007-132.079 1.00 1.22 H new ATOM 0 HD23 LEU A 57 65.300 47.559-132.944 1.00 1.22 H new ATOM 704 N ALA A 58 64.436 43.818-136.925 1.00 0.25 N ATOM 705 CA ALA A 58 64.752 43.570-138.354 1.00 0.24 C ATOM 706 C ALA A 58 63.471 43.077-139.021 1.00 0.21 C ATOM 707 O ALA A 58 63.256 43.256-140.204 1.00 0.21 O ATOM 708 CB ALA A 58 65.840 42.499-138.466 1.00 0.24 C ATOM 0 H ALA A 58 65.065 43.377-136.254 1.00 0.25 H new ATOM 0 HA ALA A 58 65.115 44.479-138.835 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.068 42.321-139.517 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.739 42.839-137.952 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.488 41.574-138.009 1.00 0.24 H new ATOM 714 N TRP A 59 62.601 42.481-138.247 1.00 0.19 N ATOM 715 CA TRP A 59 61.315 42.006-138.826 1.00 0.18 C ATOM 716 C TRP A 59 60.344 43.186-138.955 1.00 0.20 C ATOM 717 O TRP A 59 59.812 43.442-140.016 1.00 0.30 O ATOM 718 CB TRP A 59 60.674 40.918-137.970 1.00 0.19 C ATOM 719 CG TRP A 59 59.444 40.456-138.680 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.414 39.504-139.638 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.076 40.924-138.524 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.121 39.370-140.097 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.253 40.218-139.433 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.473 41.883-137.690 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.882 40.457-139.515 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.093 42.123-137.768 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.299 41.413-138.679 1.00 0.39 C ATOM 0 H TRP A 59 62.725 42.305-137.250 1.00 0.19 H new ATOM 0 HA TRP A 59 61.529 41.581-139.807 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.366 40.089-137.822 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.424 41.305-136.982 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.265 38.939-139.988 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.839 38.725-140.835 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.076 42.437-136.986 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.275 39.907-140.219 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.639 42.860-137.122 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.238 41.605-138.735 1.00 0.39 H new ATOM 738 N LYS A 60 60.107 43.910-137.890 1.00 0.27 N ATOM 739 CA LYS A 60 59.167 45.062-138.002 1.00 0.30 C ATOM 740 C LYS A 60 59.503 45.764-139.315 1.00 0.29 C ATOM 741 O LYS A 60 58.644 46.208-140.056 1.00 0.31 O ATOM 742 CB LYS A 60 59.358 46.032-136.830 1.00 0.38 C ATOM 743 CG LYS A 60 60.490 47.010-137.147 1.00 0.42 C ATOM 744 CD LYS A 60 60.937 47.712-135.862 1.00 1.08 C ATOM 745 CE LYS A 60 62.339 48.289-136.058 1.00 1.53 C ATOM 746 NZ LYS A 60 62.799 48.920-134.789 1.00 2.27 N ATOM 0 H LYS A 60 60.515 43.757-136.968 1.00 0.27 H new ATOM 0 HA LYS A 60 58.132 44.722-137.980 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.434 46.579-136.644 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.588 45.477-135.920 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.330 46.478-137.594 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.154 47.746-137.878 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.237 48.508-135.607 1.00 1.08 H new ATOM 0 HD3 LYS A 60 60.935 47.007-135.030 1.00 1.08 H new ATOM 0 HE2 LYS A 60 63.030 47.500-136.356 1.00 1.53 H new ATOM 0 HE3 LYS A 60 62.331 49.026-136.861 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 62.845 49.952-134.911 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 62.131 48.691-134.025 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 63.743 48.558-134.544 1.00 2.27 H new ATOM 760 N LYS A 61 60.766 45.818-139.625 1.00 0.28 N ATOM 761 CA LYS A 61 61.186 46.439-140.903 1.00 0.30 C ATOM 762 C LYS A 61 60.777 45.501-142.036 1.00 0.27 C ATOM 763 O LYS A 61 60.159 45.908-142.986 1.00 0.35 O ATOM 764 CB LYS A 61 62.701 46.637-140.921 1.00 0.35 C ATOM 765 CG LYS A 61 63.148 47.285-139.610 1.00 0.40 C ATOM 766 CD LYS A 61 64.282 48.273-139.893 1.00 0.77 C ATOM 767 CE LYS A 61 64.906 48.727-138.573 1.00 1.42 C ATOM 768 NZ LYS A 61 66.315 49.147-138.809 1.00 2.43 N ATOM 0 H LYS A 61 61.525 45.458-139.046 1.00 0.28 H new ATOM 0 HA LYS A 61 60.712 47.413-141.020 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.202 45.678-141.054 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.986 47.265-141.765 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.310 47.801-139.142 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.483 46.520-138.909 1.00 0.40 H new ATOM 0 HD2 LYS A 61 65.038 47.804-140.522 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.900 49.134-140.442 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.334 49.555-138.154 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.874 47.916-137.845 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.740 49.456-137.912 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.857 48.346-139.191 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.334 49.933-139.490 1.00 2.43 H new ATOM 782 N LEU A 62 61.113 44.240-141.942 1.00 0.24 N ATOM 783 CA LEU A 62 60.727 43.299-143.025 1.00 0.24 C ATOM 784 C LEU A 62 59.275 43.558-143.392 1.00 0.24 C ATOM 785 O LEU A 62 58.951 43.931-144.502 1.00 0.26 O ATOM 786 CB LEU A 62 60.850 41.857-142.526 1.00 0.24 C ATOM 787 CG LEU A 62 62.287 41.361-142.691 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.565 40.254-141.673 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.472 40.802-144.100 1.00 0.41 C ATOM 0 H LEU A 62 61.633 43.828-141.168 1.00 0.24 H new ATOM 0 HA LEU A 62 61.379 43.445-143.887 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.557 41.801-141.478 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.169 41.213-143.082 1.00 0.24 H new ATOM 0 HG LEU A 62 62.976 42.190-142.530 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.589 39.900-141.791 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.430 40.645-140.664 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.875 39.427-141.837 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.496 40.448-144.219 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.781 39.974-144.256 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.271 41.585-144.831 1.00 0.41 H new ATOM 801 N LYS A 63 58.398 43.342-142.458 1.00 0.24 N ATOM 802 CA LYS A 63 56.951 43.551-142.731 1.00 0.26 C ATOM 803 C LYS A 63 56.728 44.964-143.276 1.00 0.29 C ATOM 804 O LYS A 63 55.890 45.181-144.128 1.00 0.30 O ATOM 805 CB LYS A 63 56.147 43.369-141.439 1.00 0.34 C ATOM 806 CG LYS A 63 56.147 44.675-140.641 1.00 0.46 C ATOM 807 CD LYS A 63 55.283 44.514-139.391 1.00 0.41 C ATOM 808 CE LYS A 63 54.368 45.731-139.243 1.00 0.58 C ATOM 809 NZ LYS A 63 54.014 45.916-137.808 1.00 1.20 N ATOM 0 H LYS A 63 58.620 43.028-141.513 1.00 0.24 H new ATOM 0 HA LYS A 63 56.618 42.821-143.469 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.124 43.076-141.675 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.579 42.567-140.841 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.166 44.940-140.359 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.765 45.489-141.257 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.687 43.604-139.463 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.916 44.412-138.509 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.867 46.622-139.623 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.464 45.594-139.837 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 53.392 46.743-137.708 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.522 45.069-137.460 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.881 46.065-137.253 1.00 1.20 H new ATOM 823 N LEU A 64 57.459 45.931-142.786 1.00 0.33 N ATOM 824 CA LEU A 64 57.278 47.332-143.266 1.00 0.43 C ATOM 825 C LEU A 64 57.748 47.495-144.718 1.00 0.52 C ATOM 826 O LEU A 64 57.049 48.037-145.550 1.00 0.75 O ATOM 827 CB LEU A 64 58.100 48.248-142.358 1.00 0.38 C ATOM 828 CG LEU A 64 57.258 48.665-141.151 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.161 49.298-140.091 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.202 49.680-141.593 1.00 1.23 C ATOM 0 H LEU A 64 58.176 45.809-142.071 1.00 0.33 H new ATOM 0 HA LEU A 64 56.219 47.589-143.232 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.001 47.733-142.025 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.423 49.130-142.911 1.00 0.38 H new ATOM 0 HG LEU A 64 56.767 47.787-140.731 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.560 49.595-139.231 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.914 48.575-139.776 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.654 50.176-140.510 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.601 49.978-140.734 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.694 50.557-142.013 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.557 49.229-142.347 1.00 1.23 H new ATOM 842 N ASP A 65 58.932 47.050-145.020 1.00 0.45 N ATOM 843 CA ASP A 65 59.470 47.197-146.403 1.00 0.60 C ATOM 844 C ASP A 65 58.820 46.180-147.343 1.00 0.96 C ATOM 845 O ASP A 65 59.005 46.237-148.543 1.00 0.98 O ATOM 846 CB ASP A 65 60.983 46.969-146.384 1.00 0.53 C ATOM 847 CG ASP A 65 61.669 48.138-145.677 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.966 49.020-145.212 1.00 1.14 O ATOM 849 OD2 ASP A 65 62.888 48.131-145.611 1.00 1.31 O ATOM 0 H ASP A 65 59.559 46.585-144.363 1.00 0.45 H new ATOM 0 HA ASP A 65 59.246 48.202-146.761 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.214 46.035-145.872 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.360 46.875-147.403 1.00 0.53 H new ATOM 854 N GLY A 66 58.057 45.256-146.828 1.00 1.30 N ATOM 855 CA GLY A 66 57.406 44.257-147.720 1.00 1.72 C ATOM 856 C GLY A 66 58.406 43.164-148.107 1.00 0.91 C ATOM 857 O GLY A 66 58.669 42.939-149.271 1.00 1.14 O ATOM 0 H GLY A 66 57.857 45.150-145.833 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.548 43.813-147.216 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.029 44.750-148.616 1.00 1.72 H new ATOM 861 N LEU A 67 58.956 42.472-147.144 1.00 0.37 N ATOM 862 CA LEU A 67 59.921 41.387-147.472 1.00 1.03 C ATOM 863 C LEU A 67 59.288 40.033-147.142 1.00 0.91 C ATOM 864 O LEU A 67 59.418 39.082-147.887 1.00 1.09 O ATOM 865 CB LEU A 67 61.213 41.584-146.681 1.00 1.69 C ATOM 866 CG LEU A 67 62.152 42.498-147.475 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.979 43.365-146.522 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.095 41.638-148.319 1.00 2.68 C ATOM 0 H LEU A 67 58.778 42.612-146.149 1.00 0.37 H new ATOM 0 HA LEU A 67 60.162 41.417-148.535 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.995 42.023-145.708 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.691 40.622-146.497 1.00 1.69 H new ATOM 0 HG LEU A 67 61.557 43.146-148.119 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.642 44.010-147.099 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.312 43.979-145.917 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.573 42.724-145.870 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.766 42.283-148.886 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.680 40.991-147.666 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.512 41.026-149.007 1.00 2.68 H new ATOM 880 N ASP A 68 58.543 39.955-146.074 1.00 0.69 N ATOM 881 CA ASP A 68 57.825 38.693-145.735 1.00 0.59 C ATOM 882 C ASP A 68 56.340 38.980-145.960 1.00 0.59 C ATOM 883 O ASP A 68 55.762 39.757-145.227 1.00 0.59 O ATOM 884 CB ASP A 68 58.062 38.334-144.259 1.00 0.53 C ATOM 885 CG ASP A 68 57.668 36.875-144.021 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.250 36.233-144.970 1.00 0.97 O ATOM 887 OD2 ASP A 68 57.791 36.425-142.894 1.00 1.19 O ATOM 0 H ASP A 68 58.399 40.720-145.415 1.00 0.69 H new ATOM 0 HA ASP A 68 58.174 37.860-146.345 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.110 38.486-144.000 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.476 38.990-143.615 1.00 0.53 H new ATOM 892 N GLU A 69 55.685 38.408-146.940 1.00 0.63 N ATOM 893 CA GLU A 69 54.241 38.732-147.121 1.00 0.69 C ATOM 894 C GLU A 69 53.373 37.771-146.309 1.00 0.71 C ATOM 895 O GLU A 69 52.166 37.899-146.273 1.00 0.77 O ATOM 896 CB GLU A 69 53.878 38.611-148.602 1.00 0.73 C ATOM 897 CG GLU A 69 54.178 37.191-149.086 1.00 0.75 C ATOM 898 CD GLU A 69 54.209 37.169-150.616 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.148 37.259-151.211 1.00 2.06 O ATOM 900 OE2 GLU A 69 55.293 37.064-151.166 1.00 1.82 O ATOM 0 H GLU A 69 56.079 37.745-147.608 1.00 0.63 H new ATOM 0 HA GLU A 69 54.061 39.750-146.774 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.823 38.841-148.749 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.447 39.334-149.187 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.135 36.854-148.687 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.419 36.502-148.717 1.00 0.75 H new ATOM 907 N ASP A 70 53.964 36.811-145.654 1.00 0.72 N ATOM 908 CA ASP A 70 53.153 35.857-144.851 1.00 0.78 C ATOM 909 C ASP A 70 53.569 35.980-143.390 1.00 0.69 C ATOM 910 O ASP A 70 53.039 35.323-142.518 1.00 0.84 O ATOM 911 CB ASP A 70 53.405 34.428-145.340 1.00 0.83 C ATOM 912 CG ASP A 70 53.095 34.339-146.835 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.290 35.128-147.302 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.666 33.481-147.488 1.00 1.34 O ATOM 0 H ASP A 70 54.971 36.647-145.640 1.00 0.72 H new ATOM 0 HA ASP A 70 52.093 36.085-144.958 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.442 34.146-145.155 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.781 33.727-144.786 1.00 0.83 H new ATOM 919 N GLY A 71 54.512 36.838-143.122 1.00 0.50 N ATOM 920 CA GLY A 71 54.969 37.038-141.724 1.00 0.43 C ATOM 921 C GLY A 71 55.662 35.781-141.195 1.00 0.34 C ATOM 922 O GLY A 71 55.772 35.597-140.002 1.00 0.31 O ATOM 0 H GLY A 71 54.988 37.412-143.818 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.655 37.884-141.678 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.117 37.284-141.090 1.00 0.43 H new ATOM 926 N GLU A 72 56.145 34.911-142.048 1.00 0.36 N ATOM 927 CA GLU A 72 56.828 33.701-141.510 1.00 0.34 C ATOM 928 C GLU A 72 58.046 34.171-140.718 1.00 0.30 C ATOM 929 O GLU A 72 58.231 33.821-139.571 1.00 0.30 O ATOM 930 CB GLU A 72 57.278 32.804-142.667 1.00 0.40 C ATOM 931 CG GLU A 72 57.948 31.547-142.108 1.00 1.23 C ATOM 932 CD GLU A 72 58.530 30.724-143.259 1.00 1.97 C ATOM 933 OE1 GLU A 72 58.437 31.174-144.388 1.00 2.64 O ATOM 934 OE2 GLU A 72 59.057 29.657-142.990 1.00 2.68 O ATOM 0 H GLU A 72 56.097 34.984-143.064 1.00 0.36 H new ATOM 0 HA GLU A 72 56.153 33.131-140.872 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.421 32.529-143.282 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.973 33.344-143.311 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.737 31.823-141.409 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.223 30.952-141.552 1.00 1.23 H new ATOM 941 N LYS A 73 58.870 34.979-141.320 1.00 0.31 N ATOM 942 CA LYS A 73 60.062 35.488-140.592 1.00 0.33 C ATOM 943 C LYS A 73 59.588 35.952-139.213 1.00 0.29 C ATOM 944 O LYS A 73 60.292 35.866-138.217 1.00 0.29 O ATOM 945 CB LYS A 73 60.667 36.651-141.383 1.00 0.38 C ATOM 946 CG LYS A 73 60.848 36.221-142.843 1.00 0.55 C ATOM 947 CD LYS A 73 61.665 37.271-143.598 1.00 1.07 C ATOM 948 CE LYS A 73 62.895 36.609-144.222 1.00 1.38 C ATOM 949 NZ LYS A 73 62.473 35.783-145.389 1.00 2.36 N ATOM 0 H LYS A 73 58.771 35.308-142.280 1.00 0.31 H new ATOM 0 HA LYS A 73 60.827 34.719-140.480 1.00 0.33 H new ATOM 0 HB2 LYS A 73 60.017 37.524-141.326 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.627 36.939-140.954 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.352 35.255-142.887 1.00 0.55 H new ATOM 0 HG3 LYS A 73 59.875 36.095-143.317 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.055 37.733-144.374 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.972 38.066-142.918 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.609 37.369-144.539 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.400 35.985-143.484 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.308 35.332-145.815 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 61.807 35.050-145.073 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 62.010 36.390-146.095 1.00 2.36 H new ATOM 963 N GLU A 74 58.348 36.346-139.144 1.00 0.28 N ATOM 964 CA GLU A 74 57.751 36.730-137.840 1.00 0.28 C ATOM 965 C GLU A 74 57.436 35.418-137.134 1.00 0.26 C ATOM 966 O GLU A 74 57.626 35.253-135.961 1.00 0.27 O ATOM 967 CB GLU A 74 56.456 37.504-138.076 1.00 0.31 C ATOM 968 CG GLU A 74 56.183 38.403-136.874 1.00 0.37 C ATOM 969 CD GLU A 74 54.688 38.388-136.542 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.952 37.705-137.235 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.304 39.063-135.601 1.00 1.11 O ATOM 0 H GLU A 74 57.719 36.418-139.943 1.00 0.28 H new ATOM 0 HA GLU A 74 58.421 37.360-137.255 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.537 38.103-138.983 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.627 36.812-138.224 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.759 38.061-136.014 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.507 39.421-137.089 1.00 0.37 H new ATOM 978 N ALA A 75 56.981 34.485-137.907 1.00 0.25 N ATOM 979 CA ALA A 75 56.676 33.143-137.350 1.00 0.27 C ATOM 980 C ALA A 75 57.939 32.690-136.643 1.00 0.26 C ATOM 981 O ALA A 75 57.968 32.542-135.442 1.00 0.27 O ATOM 982 CB ALA A 75 56.297 32.161-138.461 1.00 0.30 C ATOM 0 H ALA A 75 56.805 34.591-138.906 1.00 0.25 H new ATOM 0 HA ALA A 75 55.827 33.182-136.668 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.079 31.186-138.026 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.416 32.529-138.987 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.126 32.068-139.163 1.00 0.30 H new ATOM 988 N ARG A 76 58.989 32.474-137.373 1.00 0.28 N ATOM 989 CA ARG A 76 60.245 32.037-136.718 1.00 0.31 C ATOM 990 C ARG A 76 60.470 32.904-135.482 1.00 0.28 C ATOM 991 O ARG A 76 60.739 32.406-134.407 1.00 0.30 O ATOM 992 CB ARG A 76 61.419 32.195-137.689 1.00 0.35 C ATOM 993 CG ARG A 76 62.723 31.830-136.977 1.00 0.66 C ATOM 994 CD ARG A 76 63.868 31.799-137.991 1.00 1.00 C ATOM 995 NE ARG A 76 64.145 33.181-138.473 1.00 1.51 N ATOM 996 CZ ARG A 76 65.259 33.443-139.099 1.00 2.03 C ATOM 997 NH1 ARG A 76 66.132 32.494-139.302 1.00 2.34 N ATOM 998 NH2 ARG A 76 65.502 34.653-139.522 1.00 3.14 N ATOM 0 H ARG A 76 59.034 32.580-138.387 1.00 0.28 H new ATOM 0 HA ARG A 76 60.173 30.988-136.429 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.275 31.553-138.558 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.467 33.221-138.055 1.00 0.35 H new ATOM 0 HG2 ARG A 76 62.937 32.556-136.193 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.626 30.858-136.493 1.00 0.66 H new ATOM 0 HD2 ARG A 76 64.762 31.377-137.532 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.606 31.156-138.831 1.00 1.00 H new ATOM 0 HE ARG A 76 63.463 33.923-138.313 1.00 1.51 H new ATOM 0 HH11 ARG A 76 65.943 31.548-138.971 1.00 2.34 H new ATOM 0 HH12 ARG A 76 67.003 32.699-139.791 1.00 2.34 H new ATOM 0 HH21 ARG A 76 64.821 35.395-139.363 1.00 3.14 H new ATOM 0 HH22 ARG A 76 66.373 34.857-140.011 1.00 3.14 H new ATOM 1012 N LEU A 77 60.356 34.196-135.617 1.00 0.30 N ATOM 1013 CA LEU A 77 60.558 35.073-134.424 1.00 0.31 C ATOM 1014 C LEU A 77 59.609 34.645-133.301 1.00 0.29 C ATOM 1015 O LEU A 77 60.031 34.285-132.224 1.00 0.30 O ATOM 1016 CB LEU A 77 60.290 36.533-134.788 1.00 0.35 C ATOM 1017 CG LEU A 77 61.574 37.185-135.306 1.00 0.41 C ATOM 1018 CD1 LEU A 77 62.400 36.174-136.102 1.00 0.51 C ATOM 1019 CD2 LEU A 77 61.214 38.360-136.209 1.00 0.38 C ATOM 0 H LEU A 77 60.135 34.680-136.487 1.00 0.30 H new ATOM 0 HA LEU A 77 61.590 34.974-134.088 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.511 36.590-135.548 1.00 0.35 H new ATOM 0 HB3 LEU A 77 59.924 37.073-133.915 1.00 0.35 H new ATOM 0 HG LEU A 77 62.161 37.533-134.456 1.00 0.41 H new ATOM 0 HD11 LEU A 77 63.310 36.652-136.464 1.00 0.51 H new ATOM 0 HD12 LEU A 77 62.663 35.333-135.460 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.817 35.815-136.950 1.00 0.51 H new ATOM 0 HD21 LEU A 77 62.127 38.827-136.580 1.00 0.38 H new ATOM 0 HD22 LEU A 77 60.621 38.003-137.051 1.00 0.38 H new ATOM 0 HD23 LEU A 77 60.637 39.091-135.642 1.00 0.38 H new ATOM 1031 N ILE A 78 58.333 34.676-133.552 1.00 0.29 N ATOM 1032 CA ILE A 78 57.344 34.270-132.515 1.00 0.32 C ATOM 1033 C ILE A 78 57.740 32.914-131.949 1.00 0.30 C ATOM 1034 O ILE A 78 57.737 32.701-130.762 1.00 0.32 O ATOM 1035 CB ILE A 78 55.963 34.169-133.147 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.510 35.566-133.543 1.00 0.38 C ATOM 1037 CG2 ILE A 78 54.977 33.575-132.139 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.756 35.499-134.865 1.00 0.37 C ATOM 0 H ILE A 78 57.927 34.968-134.441 1.00 0.29 H new ATOM 0 HA ILE A 78 57.326 35.010-131.715 1.00 0.32 H new ATOM 0 HB ILE A 78 56.001 33.525-134.026 1.00 0.37 H new ATOM 0 HG12 ILE A 78 54.869 35.986-132.767 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.372 36.227-133.637 1.00 0.38 H new ATOM 0 HG21 ILE A 78 53.989 33.504-132.595 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.313 32.581-131.844 1.00 0.45 H new ATOM 0 HG23 ILE A 78 54.925 34.216-131.259 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.431 36.500-135.150 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.411 35.097-135.638 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.885 34.852-134.755 1.00 0.37 H new ATOM 1050 N ARG A 79 58.096 32.002-132.801 1.00 0.29 N ATOM 1051 CA ARG A 79 58.519 30.659-132.299 1.00 0.32 C ATOM 1052 C ARG A 79 59.818 30.823-131.499 1.00 0.26 C ATOM 1053 O ARG A 79 60.111 30.049-130.610 1.00 0.26 O ATOM 1054 CB ARG A 79 58.753 29.712-133.480 1.00 0.38 C ATOM 1055 CG ARG A 79 59.744 28.621-133.069 1.00 0.39 C ATOM 1056 CD ARG A 79 59.523 27.376-133.930 1.00 0.39 C ATOM 1057 NE ARG A 79 60.260 26.225-133.336 1.00 1.50 N ATOM 1058 CZ ARG A 79 59.992 25.008-133.721 1.00 2.14 C ATOM 1059 NH1 ARG A 79 59.082 24.797-134.632 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.636 24.001-133.198 1.00 3.27 N ATOM 0 H ARG A 79 58.115 32.119-133.814 1.00 0.29 H new ATOM 0 HA ARG A 79 57.740 30.238-131.663 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.810 29.263-133.793 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.140 30.267-134.334 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.766 28.981-133.188 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.613 28.375-132.015 1.00 0.39 H new ATOM 0 HD2 ARG A 79 58.459 27.148-133.992 1.00 0.39 H new ATOM 0 HD3 ARG A 79 59.870 27.558-134.947 1.00 0.39 H new ATOM 0 HE ARG A 79 60.975 26.389-132.627 1.00 1.50 H new ATOM 0 HH11 ARG A 79 58.580 25.584-135.043 1.00 2.28 H new ATOM 0 HH12 ARG A 79 58.873 23.845-134.933 1.00 2.28 H new ATOM 0 HH21 ARG A 79 61.349 24.165-132.488 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.426 23.049-133.499 1.00 3.27 H new ATOM 1074 N ASN A 80 60.590 31.838-131.797 1.00 0.23 N ATOM 1075 CA ASN A 80 61.858 32.066-131.040 1.00 0.21 C ATOM 1076 C ASN A 80 61.525 32.820-129.756 1.00 0.21 C ATOM 1077 O ASN A 80 62.237 32.749-128.772 1.00 0.22 O ATOM 1078 CB ASN A 80 62.827 32.894-131.887 1.00 0.23 C ATOM 1079 CG ASN A 80 62.964 32.262-133.273 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.589 32.823-134.150 1.00 1.06 O ATOM 1081 ND2 ASN A 80 62.402 31.107-133.508 1.00 1.15 N ATOM 0 H ASN A 80 60.397 32.518-132.532 1.00 0.23 H new ATOM 0 HA ASN A 80 62.327 31.111-130.804 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.464 33.918-131.977 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.801 32.943-131.400 1.00 0.23 H new ATOM 0 HD21 ASN A 80 62.488 30.676-134.428 1.00 1.15 H new ATOM 0 HD22 ASN A 80 61.877 30.636-132.771 1.00 1.15 H new ATOM 1088 N LEU A 81 60.401 33.477-129.737 1.00 0.23 N ATOM 1089 CA LEU A 81 59.968 34.169-128.500 1.00 0.28 C ATOM 1090 C LEU A 81 59.352 33.081-127.643 1.00 0.30 C ATOM 1091 O LEU A 81 59.740 32.843-126.520 1.00 0.31 O ATOM 1092 CB LEU A 81 58.924 35.239-128.830 1.00 0.35 C ATOM 1093 CG LEU A 81 59.627 36.506-129.320 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.615 37.416-130.019 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.235 37.245-128.125 1.00 1.26 C ATOM 0 H LEU A 81 59.764 33.563-130.529 1.00 0.23 H new ATOM 0 HA LEU A 81 60.794 34.673-127.997 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.240 34.871-129.595 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.325 35.462-127.947 1.00 0.35 H new ATOM 0 HG LEU A 81 60.416 36.235-130.022 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.117 38.318-130.368 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.180 36.891-130.870 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.825 37.688-129.318 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.736 38.148-128.473 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.445 37.515-127.424 1.00 1.26 H new ATOM 0 HD23 LEU A 81 60.957 36.598-127.626 1.00 1.26 H new ATOM 1107 N ASN A 82 58.425 32.382-128.221 1.00 0.35 N ATOM 1108 CA ASN A 82 57.781 31.247-127.533 1.00 0.42 C ATOM 1109 C ASN A 82 58.874 30.390-126.910 1.00 0.37 C ATOM 1110 O ASN A 82 58.918 30.199-125.712 1.00 0.38 O ATOM 1111 CB ASN A 82 56.996 30.448-128.580 1.00 0.51 C ATOM 1112 CG ASN A 82 55.586 31.023-128.712 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.292 32.072-128.175 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.693 30.376-129.410 1.00 0.98 N ATOM 0 H ASN A 82 58.081 32.557-129.165 1.00 0.35 H new ATOM 0 HA ASN A 82 57.101 31.580-126.749 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.508 30.488-129.542 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.946 29.399-128.289 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.749 30.751-129.504 1.00 0.98 H new ATOM 0 HD22 ASN A 82 54.939 29.495-129.861 1.00 0.98 H new ATOM 1121 N VAL A 83 59.771 29.890-127.709 1.00 0.35 N ATOM 1122 CA VAL A 83 60.877 29.068-127.155 1.00 0.36 C ATOM 1123 C VAL A 83 61.566 29.871-126.051 1.00 0.32 C ATOM 1124 O VAL A 83 61.715 29.412-124.941 1.00 0.35 O ATOM 1125 CB VAL A 83 61.883 28.749-128.263 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.986 27.846-127.707 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.167 28.031-129.409 1.00 0.44 C ATOM 0 H VAL A 83 59.786 30.015-128.721 1.00 0.35 H new ATOM 0 HA VAL A 83 60.487 28.133-126.752 1.00 0.36 H new ATOM 0 HB VAL A 83 62.323 29.675-128.632 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.703 27.619-128.496 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.496 28.356-126.890 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.546 26.919-127.338 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.882 27.803-130.199 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.727 27.105-129.040 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.381 28.673-129.806 1.00 0.44 H new ATOM 1137 N ILE A 84 61.984 31.071-126.350 1.00 0.27 N ATOM 1138 CA ILE A 84 62.655 31.886-125.305 1.00 0.30 C ATOM 1139 C ILE A 84 61.859 31.762-124.004 1.00 0.31 C ATOM 1140 O ILE A 84 62.401 31.473-122.954 1.00 0.37 O ATOM 1141 CB ILE A 84 62.707 33.345-125.732 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.867 33.534-126.704 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.926 34.226-124.500 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.615 34.776-127.548 1.00 0.37 C ATOM 0 H ILE A 84 61.890 31.516-127.263 1.00 0.27 H new ATOM 0 HA ILE A 84 63.674 31.528-125.159 1.00 0.30 H new ATOM 0 HB ILE A 84 61.771 33.625-126.215 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.804 33.636-126.156 1.00 0.37 H new ATOM 0 HG13 ILE A 84 63.967 32.658-127.345 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.964 35.272-124.803 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.105 34.081-123.798 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.866 33.953-124.020 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.441 34.916-128.245 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.686 34.655-128.106 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.537 35.648-126.898 1.00 0.37 H new ATOM 1156 N LEU A 85 60.572 31.985-124.068 1.00 0.35 N ATOM 1157 CA LEU A 85 59.736 31.889-122.837 1.00 0.42 C ATOM 1158 C LEU A 85 59.733 30.455-122.315 1.00 0.42 C ATOM 1159 O LEU A 85 59.841 30.219-121.130 1.00 0.47 O ATOM 1160 CB LEU A 85 58.304 32.317-123.157 1.00 0.54 C ATOM 1161 CG LEU A 85 58.181 33.830-122.986 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.390 34.183-121.513 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.249 34.529-123.829 1.00 0.61 C ATOM 0 H LEU A 85 60.065 32.229-124.919 1.00 0.35 H new ATOM 0 HA LEU A 85 60.153 32.545-122.073 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.046 32.032-124.177 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.603 31.806-122.497 1.00 0.54 H new ATOM 0 HG LEU A 85 57.193 34.157-123.310 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.304 35.262-121.382 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.634 33.682-120.908 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.381 33.857-121.198 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.160 35.608-123.706 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.238 34.207-123.503 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.111 34.271-124.879 1.00 0.61 H new ATOM 1175 N ALA A 86 59.613 29.495-123.183 1.00 0.47 N ATOM 1176 CA ALA A 86 59.610 28.080-122.725 1.00 0.58 C ATOM 1177 C ALA A 86 60.997 27.734-122.177 1.00 0.59 C ATOM 1178 O ALA A 86 61.180 26.754-121.480 1.00 0.73 O ATOM 1179 CB ALA A 86 59.286 27.166-123.909 1.00 0.64 C ATOM 0 H ALA A 86 59.517 29.627-124.190 1.00 0.47 H new ATOM 0 HA ALA A 86 58.860 27.942-121.946 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.283 26.128-123.577 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.305 27.422-124.308 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.039 27.296-124.686 1.00 0.64 H new ATOM 1185 N LYS A 87 61.977 28.531-122.505 1.00 0.50 N ATOM 1186 CA LYS A 87 63.366 28.271-122.037 1.00 0.60 C ATOM 1187 C LYS A 87 63.554 28.839-120.636 1.00 0.58 C ATOM 1188 O LYS A 87 64.079 28.190-119.755 1.00 0.71 O ATOM 1189 CB LYS A 87 64.341 28.956-122.986 1.00 0.61 C ATOM 1190 CG LYS A 87 65.696 28.250-122.934 1.00 0.82 C ATOM 1191 CD LYS A 87 66.628 28.857-123.984 1.00 0.99 C ATOM 1192 CE LYS A 87 67.382 30.040-123.374 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.394 29.536-122.402 1.00 2.02 N ATOM 0 H LYS A 87 61.871 29.363-123.086 1.00 0.50 H new ATOM 0 HA LYS A 87 63.549 27.197-122.018 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.949 28.935-124.003 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.456 30.004-122.710 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.134 28.353-121.941 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.569 27.183-123.118 1.00 0.82 H new ATOM 0 HD2 LYS A 87 67.334 28.105-124.337 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.053 29.186-124.850 1.00 0.99 H new ATOM 0 HE2 LYS A 87 67.871 30.617-124.159 1.00 1.63 H new ATOM 0 HE3 LYS A 87 66.684 30.711-122.874 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.415 30.158-121.569 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.142 28.571-122.107 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 69.332 29.527-122.851 1.00 2.02 H new ATOM 1207 N TYR A 88 63.106 30.041-120.417 1.00 0.45 N ATOM 1208 CA TYR A 88 63.241 30.629-119.059 1.00 0.47 C ATOM 1209 C TYR A 88 62.105 30.082-118.210 1.00 0.54 C ATOM 1210 O TYR A 88 62.172 30.027-116.998 1.00 0.58 O ATOM 1211 CB TYR A 88 63.156 32.155-119.136 1.00 0.44 C ATOM 1212 CG TYR A 88 64.449 32.693-119.699 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.532 32.943-118.847 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.569 32.938-121.072 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.734 33.437-119.368 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.770 33.432-121.592 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.852 33.682-120.741 1.00 0.61 C ATOM 1218 OH TYR A 88 68.038 34.168-121.255 1.00 0.73 O ATOM 0 H TYR A 88 62.656 30.637-121.112 1.00 0.45 H new ATOM 0 HA TYR A 88 64.205 30.368-118.622 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.318 32.454-119.766 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.975 32.572-118.145 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.440 32.755-117.788 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.734 32.746-121.730 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.569 33.629-118.711 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.862 33.621-122.651 1.00 0.62 H new ATOM 0 HH TYR A 88 68.386 33.541-121.923 1.00 0.73 H new ATOM 1228 N GLY A 89 61.053 29.693-118.862 1.00 0.59 N ATOM 1229 CA GLY A 89 59.874 29.159-118.133 1.00 0.69 C ATOM 1230 C GLY A 89 59.035 30.341-117.663 1.00 0.77 C ATOM 1231 O GLY A 89 58.554 30.378-116.548 1.00 1.09 O ATOM 0 H GLY A 89 60.957 29.721-119.877 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.287 28.509-118.782 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.193 28.556-117.283 1.00 0.69 H new ATOM 1235 N LEU A 90 58.859 31.311-118.517 1.00 0.65 N ATOM 1236 CA LEU A 90 58.056 32.502-118.148 1.00 0.75 C ATOM 1237 C LEU A 90 56.852 32.600-119.084 1.00 0.80 C ATOM 1238 O LEU A 90 56.389 33.677-119.404 1.00 1.31 O ATOM 1239 CB LEU A 90 58.924 33.748-118.303 1.00 0.82 C ATOM 1240 CG LEU A 90 58.885 34.554-117.014 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.861 35.724-117.126 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.466 35.079-116.801 1.00 1.68 C ATOM 0 H LEU A 90 59.242 31.326-119.462 1.00 0.65 H new ATOM 0 HA LEU A 90 57.711 32.419-117.117 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.950 33.463-118.536 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.565 34.354-119.135 1.00 0.82 H new ATOM 0 HG LEU A 90 59.171 33.928-116.169 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.838 36.306-116.205 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.869 35.343-117.289 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.573 36.359-117.964 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.427 35.659-115.879 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.183 35.714-117.641 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.774 34.240-116.731 1.00 1.68 H new