USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -14.4! C(o=-16!,f=-12!) USER MOD Set 1.2: A 80 ASN : amide:sc= -1.68! K(o=-16!,f=-12) USER MOD Single : A 22 MET CE :methyl -125:sc= -1.27 (180deg=-6.17!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -5.61! C(o=-5.6!,f=-16!) USER MOD Single : A 27 GLN : amide:sc= -0.0728 X(o=-0.073,f=-0.15) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0185) USER MOD Single : A 33 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-2.1!) USER MOD Single : A 46 HIS : no HD1:sc= -6.31! K(o=-6.3!,f=-2.5) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= -4.17! (180deg=-7.54!) USER MOD Single : A 60 LYS NZ :NH3+ -109:sc= -1.35 (180deg=-4.18!) 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+ -138:sc= -3.73! (180deg=-5.93!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 87 LYS NZ :NH3+ 156:sc= -0.441 (180deg=-1.64!) USER MOD Single : A 88 TYR OH : rot 165:sc= -8.91! USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= -0.919 (180deg=-1.44!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -7.02! C(o=-7!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 63.825 56.048-121.518 1.00 3.57 N ATOM 2 CA GLY A 17 62.876 55.242-120.631 1.00 2.94 C ATOM 3 C GLY A 17 62.484 53.864-121.042 1.00 2.17 C ATOM 4 O GLY A 17 62.022 53.074-120.243 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.332 55.172-119.643 1.00 2.94 H new ATOM 0 HA3 GLY A 17 61.961 55.823-120.519 1.00 2.94 H new ATOM 8 N GLU A 18 62.656 53.537-122.294 1.00 1.64 N ATOM 9 CA GLU A 18 62.284 52.174-122.767 1.00 0.99 C ATOM 10 C GLU A 18 63.543 51.429-123.216 1.00 0.98 C ATOM 11 O GLU A 18 64.636 51.956-123.174 1.00 1.60 O ATOM 12 CB GLU A 18 61.313 52.290-123.944 1.00 1.22 C ATOM 13 CG GLU A 18 60.028 52.980-123.480 1.00 1.64 C ATOM 14 CD GLU A 18 60.275 54.484-123.351 1.00 2.48 C ATOM 15 OE1 GLU A 18 61.282 54.945-123.861 1.00 3.09 O ATOM 16 OE2 GLU A 18 59.451 55.149-122.745 1.00 3.13 O ATOM 0 H GLU A 18 63.038 54.155-123.010 1.00 1.64 H new ATOM 0 HA GLU A 18 61.807 51.625-121.955 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.772 52.858-124.753 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.084 51.300-124.340 1.00 1.22 H new ATOM 0 HG2 GLU A 18 59.224 52.792-124.192 1.00 1.64 H new ATOM 0 HG3 GLU A 18 59.708 52.570-122.522 1.00 1.64 H new ATOM 23 N GLU A 19 63.396 50.206-123.645 1.00 0.57 N ATOM 24 CA GLU A 19 64.584 49.427-124.097 1.00 0.55 C ATOM 25 C GLU A 19 64.466 49.150-125.597 1.00 0.56 C ATOM 26 O GLU A 19 65.366 49.426-126.365 1.00 0.63 O ATOM 27 CB GLU A 19 64.652 48.104-123.324 1.00 0.45 C ATOM 28 CG GLU A 19 63.260 47.472-123.249 1.00 0.38 C ATOM 29 CD GLU A 19 62.331 48.369-122.430 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.837 49.194-121.687 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.127 48.216-122.558 1.00 2.06 O ATOM 0 H GLU A 19 62.505 49.712-123.702 1.00 0.57 H new ATOM 0 HA GLU A 19 65.493 49.998-123.907 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.345 47.421-123.815 1.00 0.45 H new ATOM 0 HB3 GLU A 19 65.036 48.279-122.319 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.858 47.335-124.253 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.323 46.484-122.793 1.00 0.38 H new ATOM 38 N PHE A 20 63.357 48.611-126.017 1.00 0.51 N ATOM 39 CA PHE A 20 63.161 48.317-127.465 1.00 0.54 C ATOM 40 C PHE A 20 62.026 49.202-127.967 1.00 0.55 C ATOM 41 O PHE A 20 61.509 50.015-127.227 1.00 0.57 O ATOM 42 CB PHE A 20 62.784 46.847-127.627 1.00 0.52 C ATOM 43 CG PHE A 20 63.717 46.018-126.782 1.00 0.52 C ATOM 44 CD1 PHE A 20 65.053 45.865-127.161 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.246 45.414-125.613 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.920 45.104-126.369 1.00 0.82 C ATOM 47 CE2 PHE A 20 64.112 44.655-124.817 1.00 0.51 C ATOM 48 CZ PHE A 20 65.451 44.498-125.196 1.00 0.56 C ATOM 0 H PHE A 20 62.572 48.359-125.416 1.00 0.51 H new ATOM 0 HA PHE A 20 64.071 48.513-128.032 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.751 46.685-127.320 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.856 46.550-128.673 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.416 46.333-128.064 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.212 45.533-125.323 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.952 44.984-126.662 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.748 44.191-123.912 1.00 0.51 H new ATOM 0 HZ PHE A 20 66.121 43.911-124.585 1.00 0.56 H new ATOM 58 N ARG A 21 61.614 49.081-129.201 1.00 0.57 N ATOM 59 CA ARG A 21 60.502 49.951-129.684 1.00 0.60 C ATOM 60 C ARG A 21 59.339 49.056-130.091 1.00 0.57 C ATOM 61 O ARG A 21 58.380 49.479-130.705 1.00 0.59 O ATOM 62 CB ARG A 21 60.976 50.733-130.901 1.00 0.69 C ATOM 63 CG ARG A 21 62.202 51.568-130.531 1.00 0.74 C ATOM 64 CD ARG A 21 62.812 52.170-131.799 1.00 0.82 C ATOM 65 NE ARG A 21 61.741 52.831-132.598 1.00 1.35 N ATOM 66 CZ ARG A 21 62.059 53.659-133.555 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.313 53.908-133.813 1.00 2.06 N ATOM 68 NH2 ARG A 21 61.121 54.237-134.255 1.00 2.72 N ATOM 0 H ARG A 21 61.993 48.428-129.887 1.00 0.57 H new ATOM 0 HA ARG A 21 60.193 50.643-128.901 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.222 50.048-131.712 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.178 51.381-131.262 1.00 0.69 H new ATOM 0 HG2 ARG A 21 61.919 52.361-129.839 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.938 50.947-130.020 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.584 52.893-131.536 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.293 51.391-132.390 1.00 0.82 H new ATOM 0 HE ARG A 21 60.760 52.636-132.397 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.046 53.455-133.267 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.561 54.555-134.561 1.00 2.06 H new ATOM 0 HH21 ARG A 21 60.140 54.041-134.054 1.00 2.72 H new ATOM 0 HH22 ARG A 21 61.369 54.884-135.003 1.00 2.72 H new ATOM 82 N MET A 22 59.432 47.817-129.727 1.00 0.54 N ATOM 83 CA MET A 22 58.352 46.850-130.053 1.00 0.55 C ATOM 84 C MET A 22 57.523 46.600-128.801 1.00 0.49 C ATOM 85 O MET A 22 58.047 46.512-127.708 1.00 0.63 O ATOM 86 CB MET A 22 58.959 45.533-130.526 1.00 0.61 C ATOM 87 CG MET A 22 59.882 45.796-131.715 1.00 0.71 C ATOM 88 SD MET A 22 58.983 45.493-133.256 1.00 1.14 S ATOM 89 CE MET A 22 58.692 43.725-133.004 1.00 1.25 C ATOM 0 H MET A 22 60.219 47.424-129.211 1.00 0.54 H new ATOM 0 HA MET A 22 57.724 47.258-130.845 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.517 45.065-129.715 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.169 44.838-130.812 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.243 46.824-131.688 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.758 45.149-131.659 1.00 0.71 H new ATOM 0 HE1 MET A 22 59.076 43.168-133.858 1.00 1.25 H new ATOM 0 HE2 MET A 22 59.202 43.398-132.098 1.00 1.25 H new ATOM 0 HE3 MET A 22 57.622 43.543-132.903 1.00 1.25 H new ATOM 99 N GLU A 23 56.237 46.488-128.939 1.00 0.47 N ATOM 100 CA GLU A 23 55.398 46.250-127.739 1.00 0.46 C ATOM 101 C GLU A 23 55.666 44.847-127.202 1.00 0.50 C ATOM 102 O GLU A 23 55.778 44.646-126.011 1.00 0.50 O ATOM 103 CB GLU A 23 53.919 46.393-128.103 1.00 0.50 C ATOM 104 CG GLU A 23 53.583 47.871-128.306 1.00 1.45 C ATOM 105 CD GLU A 23 52.069 48.034-128.463 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.556 47.648-129.502 1.00 2.68 O ATOM 107 OE2 GLU A 23 51.450 48.541-127.543 1.00 2.48 O ATOM 0 H GLU A 23 55.733 46.550-129.823 1.00 0.47 H new ATOM 0 HA GLU A 23 55.647 46.984-126.973 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.702 45.832-129.012 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.297 45.973-127.312 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.936 48.455-127.456 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.094 48.253-129.190 1.00 1.45 H new ATOM 114 N LYS A 24 55.777 43.870-128.059 1.00 0.54 N ATOM 115 CA LYS A 24 56.044 42.494-127.567 1.00 0.59 C ATOM 116 C LYS A 24 57.299 42.502-126.700 1.00 0.53 C ATOM 117 O LYS A 24 57.305 42.000-125.594 1.00 0.55 O ATOM 118 CB LYS A 24 56.256 41.559-128.759 1.00 0.67 C ATOM 119 CG LYS A 24 57.354 42.126-129.660 1.00 0.64 C ATOM 120 CD LYS A 24 57.367 41.367-130.989 1.00 0.77 C ATOM 121 CE LYS A 24 57.125 39.879-130.730 1.00 1.46 C ATOM 122 NZ LYS A 24 57.448 39.101-131.959 1.00 2.09 N ATOM 0 H LYS A 24 55.695 43.966-129.071 1.00 0.54 H new ATOM 0 HA LYS A 24 55.195 42.146-126.978 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.534 40.564-128.410 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.328 41.452-129.321 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.182 43.188-129.837 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.323 42.038-129.169 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.597 41.761-131.653 1.00 0.77 H new ATOM 0 HD3 LYS A 24 58.324 41.509-131.491 1.00 0.77 H new ATOM 0 HE2 LYS A 24 57.742 39.539-129.899 1.00 1.46 H new ATOM 0 HE3 LYS A 24 56.086 39.713-130.444 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 57.283 38.089-131.783 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.841 39.419-132.741 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 58.446 39.250-132.212 1.00 2.09 H new ATOM 136 N LEU A 25 58.366 43.066-127.192 1.00 0.47 N ATOM 137 CA LEU A 25 59.628 43.105-126.404 1.00 0.42 C ATOM 138 C LEU A 25 59.430 43.936-125.142 1.00 0.39 C ATOM 139 O LEU A 25 59.653 43.476-124.049 1.00 0.55 O ATOM 140 CB LEU A 25 60.725 43.760-127.246 1.00 0.43 C ATOM 141 CG LEU A 25 61.279 42.764-128.263 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.389 43.440-129.633 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.667 42.312-127.811 1.00 1.03 C ATOM 0 H LEU A 25 58.418 43.504-128.112 1.00 0.47 H new ATOM 0 HA LEU A 25 59.908 42.087-126.134 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.324 44.632-127.762 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.528 44.113-126.599 1.00 0.43 H new ATOM 0 HG LEU A 25 60.613 41.904-128.335 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.784 42.729-130.359 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.403 43.775-129.954 1.00 0.92 H new ATOM 0 HD13 LEU A 25 62.058 44.297-129.563 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.070 41.600-128.531 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.328 43.176-127.746 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.594 41.836-126.833 1.00 1.03 H new ATOM 155 N ASN A 26 59.025 45.162-125.287 1.00 0.39 N ATOM 156 CA ASN A 26 58.831 46.009-124.078 1.00 0.37 C ATOM 157 C ASN A 26 57.943 45.242-123.102 1.00 0.40 C ATOM 158 O ASN A 26 58.310 44.974-121.976 1.00 0.40 O ATOM 159 CB ASN A 26 58.162 47.327-124.462 1.00 0.41 C ATOM 160 CG ASN A 26 58.807 47.865-125.739 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.630 47.205-126.342 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.468 49.043-126.182 1.00 0.45 N ATOM 0 H ASN A 26 58.821 45.613-126.179 1.00 0.39 H new ATOM 0 HA ASN A 26 59.794 46.234-123.619 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.094 47.175-124.616 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.268 48.051-123.654 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.893 49.409-127.034 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.777 49.598-125.677 1.00 0.45 H new ATOM 169 N GLN A 27 56.776 44.890-123.545 1.00 0.44 N ATOM 170 CA GLN A 27 55.839 44.138-122.675 1.00 0.50 C ATOM 171 C GLN A 27 56.584 42.978-122.013 1.00 0.47 C ATOM 172 O GLN A 27 56.523 42.796-120.813 1.00 0.48 O ATOM 173 CB GLN A 27 54.686 43.589-123.519 1.00 0.59 C ATOM 174 CG GLN A 27 53.701 44.717-123.832 1.00 0.58 C ATOM 175 CD GLN A 27 52.798 44.957-122.621 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.080 44.072-122.200 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.802 46.126-122.040 1.00 2.02 N ATOM 0 H GLN A 27 56.427 45.093-124.482 1.00 0.44 H new ATOM 0 HA GLN A 27 55.441 44.802-121.908 1.00 0.50 H new ATOM 0 HB2 GLN A 27 55.071 43.160-124.444 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.179 42.787-122.983 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.243 45.629-124.081 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.099 44.457-124.702 1.00 0.58 H new ATOM 0 HE21 GLN A 27 53.405 46.869-122.393 1.00 2.02 H new ATOM 0 HE22 GLN A 27 52.202 46.296-121.233 1.00 2.02 H new ATOM 186 N LEU A 28 57.262 42.170-122.784 1.00 0.47 N ATOM 187 CA LEU A 28 57.980 41.000-122.197 1.00 0.47 C ATOM 188 C LEU A 28 59.092 41.455-121.252 1.00 0.39 C ATOM 189 O LEU A 28 59.254 40.917-120.175 1.00 0.50 O ATOM 190 CB LEU A 28 58.585 40.161-123.323 1.00 0.50 C ATOM 191 CG LEU A 28 57.487 39.335-123.993 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.044 38.667-125.252 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.996 38.259-123.022 1.00 1.21 C ATOM 0 H LEU A 28 57.350 42.269-123.795 1.00 0.47 H new ATOM 0 HA LEU A 28 57.265 40.407-121.627 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.065 40.810-124.056 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.358 39.503-122.925 1.00 0.50 H new ATOM 0 HG LEU A 28 56.658 39.988-124.265 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.260 38.078-125.729 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.395 39.432-125.945 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.874 38.014-124.981 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.213 37.669-123.498 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.827 37.608-122.750 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.598 38.733-122.125 1.00 1.21 H new ATOM 205 N TRP A 29 59.862 42.436-121.631 1.00 0.37 N ATOM 206 CA TRP A 29 60.953 42.910-120.743 1.00 0.30 C ATOM 207 C TRP A 29 60.331 43.381-119.436 1.00 0.36 C ATOM 208 O TRP A 29 60.588 42.839-118.377 1.00 0.39 O ATOM 209 CB TRP A 29 61.645 44.076-121.453 1.00 0.32 C ATOM 210 CG TRP A 29 62.840 44.551-120.696 1.00 0.29 C ATOM 211 CD1 TRP A 29 63.111 45.850-120.467 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.929 43.790-120.090 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.289 45.947-119.761 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.832 44.707-119.498 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.224 42.417-119.989 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.978 44.282-118.836 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.382 41.986-119.320 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.255 42.919-118.744 1.00 0.41 C ATOM 0 H TRP A 29 59.781 42.930-122.520 1.00 0.37 H new ATOM 0 HA TRP A 29 61.677 42.123-120.530 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.947 43.765-122.453 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.940 44.899-121.574 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.502 46.683-120.786 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.709 46.829-119.468 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.556 41.691-120.428 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.650 45.004-118.395 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.600 40.931-119.249 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.142 42.582-118.229 1.00 0.41 H new ATOM 229 N GLU A 30 59.509 44.386-119.504 1.00 0.45 N ATOM 230 CA GLU A 30 58.865 44.886-118.267 1.00 0.56 C ATOM 231 C GLU A 30 58.370 43.676-117.479 1.00 0.50 C ATOM 232 O GLU A 30 58.563 43.574-116.284 1.00 0.52 O ATOM 233 CB GLU A 30 57.681 45.785-118.630 1.00 0.68 C ATOM 234 CG GLU A 30 58.174 47.220-118.833 1.00 0.86 C ATOM 235 CD GLU A 30 56.980 48.135-119.111 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.867 47.639-119.116 1.00 2.06 O ATOM 237 OE2 GLU A 30 57.201 49.318-119.313 1.00 2.33 O ATOM 0 H GLU A 30 59.257 44.880-120.360 1.00 0.45 H new ATOM 0 HA GLU A 30 59.573 45.465-117.674 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.200 45.422-119.538 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.932 45.755-117.839 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.708 47.561-117.946 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.878 47.260-119.664 1.00 0.86 H new ATOM 244 N LYS A 31 57.734 42.752-118.148 1.00 0.46 N ATOM 245 CA LYS A 31 57.225 41.542-117.450 1.00 0.45 C ATOM 246 C LYS A 31 58.375 40.840-116.726 1.00 0.43 C ATOM 247 O LYS A 31 58.280 40.533-115.555 1.00 0.46 O ATOM 248 CB LYS A 31 56.609 40.585-118.475 1.00 0.44 C ATOM 249 CG LYS A 31 55.114 40.425-118.194 1.00 0.91 C ATOM 250 CD LYS A 31 54.525 39.377-119.139 1.00 0.99 C ATOM 251 CE LYS A 31 54.227 40.018-120.496 1.00 1.36 C ATOM 252 NZ LYS A 31 52.931 40.750-120.427 1.00 2.08 N ATOM 0 H LYS A 31 57.546 42.785-119.150 1.00 0.46 H new ATOM 0 HA LYS A 31 56.469 41.837-116.723 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.761 40.970-119.484 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.104 39.615-118.426 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.958 40.124-117.158 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.604 41.379-118.329 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.224 38.550-119.262 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.612 38.962-118.713 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.029 40.703-120.770 1.00 1.36 H new ATOM 0 HE3 LYS A 31 54.183 39.252-121.270 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.653 41.055-121.382 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.198 40.123-120.037 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.035 41.583-119.814 1.00 2.08 H new ATOM 266 N ALA A 32 59.462 40.574-117.405 1.00 0.41 N ATOM 267 CA ALA A 32 60.592 39.882-116.723 1.00 0.41 C ATOM 268 C ALA A 32 61.013 40.680-115.498 1.00 0.41 C ATOM 269 O ALA A 32 61.024 40.169-114.396 1.00 0.42 O ATOM 270 CB ALA A 32 61.794 39.737-117.655 1.00 0.42 C ATOM 0 H ALA A 32 59.613 40.803-118.387 1.00 0.41 H new ATOM 0 HA ALA A 32 60.253 38.888-116.431 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.602 39.229-117.130 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.507 39.154-118.531 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.131 40.724-117.971 1.00 0.42 H new ATOM 276 N GLN A 33 61.351 41.934-115.649 1.00 0.43 N ATOM 277 CA GLN A 33 61.752 42.711-114.453 1.00 0.47 C ATOM 278 C GLN A 33 60.647 42.598-113.410 1.00 0.49 C ATOM 279 O GLN A 33 60.904 42.365-112.251 1.00 0.53 O ATOM 280 CB GLN A 33 61.978 44.174-114.843 1.00 0.51 C ATOM 281 CG GLN A 33 63.198 44.273-115.769 1.00 0.53 C ATOM 282 CD GLN A 33 63.336 45.708-116.279 1.00 0.75 C ATOM 283 OE1 GLN A 33 64.360 46.335-116.097 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.338 46.259-116.915 1.00 1.23 N ATOM 0 H GLN A 33 61.365 42.441-116.534 1.00 0.43 H new ATOM 0 HA GLN A 33 62.681 42.320-114.039 1.00 0.47 H new ATOM 0 HB2 GLN A 33 61.094 44.569-115.344 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.135 44.780-113.950 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.100 43.978-115.233 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.087 43.586-116.608 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.478 45.733-117.068 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.418 47.216-117.259 1.00 1.23 H new ATOM 293 N ARG A 34 59.412 42.725-113.819 1.00 0.49 N ATOM 294 CA ARG A 34 58.300 42.583-112.839 1.00 0.52 C ATOM 295 C ARG A 34 58.496 41.251-112.124 1.00 0.52 C ATOM 296 O ARG A 34 58.318 41.132-110.928 1.00 0.55 O ATOM 297 CB ARG A 34 56.957 42.587-113.571 1.00 0.56 C ATOM 298 CG ARG A 34 56.282 43.948-113.395 1.00 0.67 C ATOM 299 CD ARG A 34 54.890 43.914-114.028 1.00 1.59 C ATOM 300 NE ARG A 34 54.111 42.781-113.453 1.00 1.96 N ATOM 301 CZ ARG A 34 52.817 42.732-113.613 1.00 2.81 C ATOM 302 NH1 ARG A 34 52.205 43.677-114.273 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.134 41.738-113.112 1.00 3.58 N ATOM 0 H ARG A 34 59.129 42.919-114.780 1.00 0.49 H new ATOM 0 HA ARG A 34 58.303 43.409-112.128 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.108 42.379-114.630 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.315 41.798-113.179 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.205 44.193-112.336 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.885 44.728-113.860 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.372 44.856-113.845 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.973 43.801-115.109 1.00 1.59 H new ATOM 0 HE ARG A 34 54.589 42.044-112.935 1.00 1.96 H new ATOM 0 HH11 ARG A 34 52.738 44.454-114.664 1.00 3.42 H new ATOM 0 HH12 ARG A 34 51.193 43.639-114.398 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.612 41.000-112.595 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.122 41.700-113.237 1.00 3.58 H new ATOM 317 N LEU A 35 58.918 40.264-112.860 1.00 0.50 N ATOM 318 CA LEU A 35 59.197 38.944-112.243 1.00 0.54 C ATOM 319 C LEU A 35 60.544 39.074-111.548 1.00 0.55 C ATOM 320 O LEU A 35 60.979 38.212-110.810 1.00 0.61 O ATOM 321 CB LEU A 35 59.270 37.865-113.326 1.00 0.57 C ATOM 322 CG LEU A 35 57.913 37.749-114.021 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.916 36.527-114.941 1.00 1.20 C ATOM 324 CD2 LEU A 35 56.814 37.591-112.967 1.00 0.84 C ATOM 0 H LEU A 35 59.082 40.316-113.865 1.00 0.50 H new ATOM 0 HA LEU A 35 58.413 38.660-111.541 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.043 38.116-114.053 1.00 0.57 H new ATOM 0 HB3 LEU A 35 59.547 36.908-112.883 1.00 0.57 H new ATOM 0 HG LEU A 35 57.726 38.647-114.610 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.949 36.443-115.437 1.00 1.20 H new ATOM 0 HD12 LEU A 35 58.700 36.637-115.690 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.101 35.629-114.352 1.00 1.20 H new ATOM 0 HD21 LEU A 35 55.846 37.508-113.461 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.000 36.692-112.379 1.00 0.84 H new ATOM 0 HD23 LEU A 35 56.813 38.460-112.309 1.00 0.84 H new ATOM 336 N HIS A 36 61.199 40.175-111.796 1.00 0.53 N ATOM 337 CA HIS A 36 62.527 40.432-111.179 1.00 0.58 C ATOM 338 C HIS A 36 63.400 39.185-111.280 1.00 0.49 C ATOM 339 O HIS A 36 63.337 38.313-110.437 1.00 1.37 O ATOM 340 CB HIS A 36 62.352 40.789-109.700 1.00 0.98 C ATOM 341 CG HIS A 36 62.126 42.268-109.560 1.00 1.43 C ATOM 342 ND1 HIS A 36 63.054 43.104-108.961 1.00 1.89 N ATOM 343 CD2 HIS A 36 61.082 43.070-109.933 1.00 1.60 C ATOM 344 CE1 HIS A 36 62.553 44.353-108.993 1.00 2.32 C ATOM 345 NE2 HIS A 36 61.352 44.389-109.575 1.00 2.17 N ATOM 0 H HIS A 36 60.863 40.917-112.410 1.00 0.53 H new ATOM 0 HA HIS A 36 63.002 41.258-111.708 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.508 40.241-109.281 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.237 40.491-109.137 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.185 42.732-110.430 1.00 1.60 H new ATOM 0 HE1 HIS A 36 63.061 45.220-108.596 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.760 45.206-109.725 1.00 2.17 H new ATOM 353 N LEU A 37 64.242 39.090-112.275 1.00 0.59 N ATOM 354 CA LEU A 37 65.128 37.902-112.369 1.00 0.43 C ATOM 355 C LEU A 37 66.544 38.359-112.011 1.00 0.44 C ATOM 356 O LEU A 37 66.941 39.451-112.364 1.00 0.42 O ATOM 357 CB LEU A 37 65.136 37.353-113.799 1.00 0.53 C ATOM 358 CG LEU A 37 63.709 37.255-114.334 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.374 38.521-115.123 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.602 36.042-115.259 1.00 0.82 C ATOM 0 H LEU A 37 64.351 39.779-113.019 1.00 0.59 H new ATOM 0 HA LEU A 37 64.775 37.120-111.697 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.730 38.002-114.442 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.607 36.370-113.816 1.00 0.53 H new ATOM 0 HG LEU A 37 63.013 37.148-113.502 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.356 38.453-115.506 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.459 39.390-114.470 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.069 38.625-115.957 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.585 35.967-115.644 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.297 36.156-116.090 1.00 0.82 H new ATOM 0 HD23 LEU A 37 63.847 35.137-114.703 1.00 0.82 H new ATOM 372 N PRO A 38 67.313 37.552-111.332 1.00 0.57 N ATOM 373 CA PRO A 38 68.695 37.956-110.978 1.00 0.66 C ATOM 374 C PRO A 38 69.400 38.561-112.186 1.00 0.58 C ATOM 375 O PRO A 38 69.192 38.126-113.294 1.00 0.52 O ATOM 376 CB PRO A 38 69.329 36.624-110.583 1.00 0.81 C ATOM 377 CG PRO A 38 68.203 35.598-110.377 1.00 0.82 C ATOM 378 CD PRO A 38 66.884 36.205-110.884 1.00 0.69 C ATOM 0 HA PRO A 38 68.750 38.713-110.196 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.015 36.285-111.359 1.00 0.81 H new ATOM 0 HB3 PRO A 38 69.912 36.737-109.669 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.427 34.678-110.916 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.118 35.337-109.322 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.454 35.622-111.699 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.131 36.258-110.098 1.00 0.69 H new ATOM 386 N PRO A 39 70.221 39.550-111.991 1.00 0.62 N ATOM 387 CA PRO A 39 70.931 40.179-113.130 1.00 0.60 C ATOM 388 C PRO A 39 71.522 39.116-114.056 1.00 0.53 C ATOM 389 O PRO A 39 71.295 39.110-115.241 1.00 0.51 O ATOM 390 CB PRO A 39 72.023 40.985-112.426 1.00 0.74 C ATOM 391 CG PRO A 39 71.715 41.011-110.919 1.00 0.81 C ATOM 392 CD PRO A 39 70.513 40.098-110.645 1.00 0.74 C ATOM 0 HA PRO A 39 70.292 40.788-113.770 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.000 40.536-112.605 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.060 42.000-112.823 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.582 40.674-110.351 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.497 42.029-110.596 1.00 0.81 H new ATOM 0 HD2 PRO A 39 70.754 39.312-109.929 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.666 40.651-110.238 1.00 0.74 H new ATOM 400 N VAL A 40 72.299 38.241-113.506 1.00 0.52 N ATOM 401 CA VAL A 40 72.951 37.179-114.323 1.00 0.47 C ATOM 402 C VAL A 40 71.890 36.509-115.196 1.00 0.41 C ATOM 403 O VAL A 40 72.019 36.410-116.410 1.00 0.37 O ATOM 404 CB VAL A 40 73.568 36.139-113.381 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.514 35.106-112.977 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.735 35.438-114.082 1.00 0.50 C ATOM 0 H VAL A 40 72.518 38.210-112.510 1.00 0.52 H new ATOM 0 HA VAL A 40 73.728 37.610-114.954 1.00 0.47 H new ATOM 0 HB VAL A 40 73.933 36.642-112.486 1.00 0.50 H new ATOM 0 HG11 VAL A 40 72.962 34.372-112.308 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.691 35.606-112.467 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.137 34.603-113.868 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.172 34.699-113.410 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.373 34.941-114.982 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.492 36.174-114.353 1.00 0.50 H new ATOM 416 N ARG A 41 70.825 36.085-114.592 1.00 0.42 N ATOM 417 CA ARG A 41 69.734 35.451-115.369 1.00 0.40 C ATOM 418 C ARG A 41 69.068 36.530-116.210 1.00 0.34 C ATOM 419 O ARG A 41 68.423 36.253-117.203 1.00 0.30 O ATOM 420 CB ARG A 41 68.709 34.836-114.413 1.00 0.46 C ATOM 421 CG ARG A 41 69.062 33.370-114.159 1.00 0.87 C ATOM 422 CD ARG A 41 67.984 32.733-113.280 1.00 1.00 C ATOM 423 NE ARG A 41 68.626 31.964-112.173 1.00 1.53 N ATOM 424 CZ ARG A 41 69.689 31.236-112.396 1.00 2.18 C ATOM 425 NH1 ARG A 41 70.167 31.123-113.606 1.00 2.54 N ATOM 426 NH2 ARG A 41 70.264 30.605-111.409 1.00 3.12 N ATOM 0 H ARG A 41 70.661 36.150-113.587 1.00 0.42 H new ATOM 0 HA ARG A 41 70.132 34.663-116.008 1.00 0.40 H new ATOM 0 HB2 ARG A 41 68.698 35.386-113.472 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.708 34.911-114.839 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.139 32.834-115.105 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.034 33.298-113.671 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.333 33.505-112.869 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.357 32.072-113.879 1.00 1.00 H new ATOM 0 HE ARG A 41 68.231 32.007-111.233 1.00 1.53 H new ATOM 0 HH11 ARG A 41 69.711 31.604-114.381 1.00 2.54 H new ATOM 0 HH12 ARG A 41 70.996 30.554-113.776 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.884 30.680-110.465 1.00 3.12 H new ATOM 0 HH22 ARG A 41 71.093 30.037-111.581 1.00 3.12 H new ATOM 440 N LEU A 42 69.222 37.765-115.818 1.00 0.35 N ATOM 441 CA LEU A 42 68.598 38.860-116.599 1.00 0.30 C ATOM 442 C LEU A 42 69.500 39.203-117.774 1.00 0.31 C ATOM 443 O LEU A 42 69.059 39.721-118.774 1.00 0.49 O ATOM 444 CB LEU A 42 68.387 40.091-115.727 1.00 0.32 C ATOM 445 CG LEU A 42 67.153 40.829-116.235 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.900 40.214-115.619 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.239 42.305-115.846 1.00 0.60 C ATOM 0 H LEU A 42 69.750 38.058-114.996 1.00 0.35 H new ATOM 0 HA LEU A 42 67.624 38.532-116.962 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.254 39.800-114.685 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.262 40.740-115.768 1.00 0.32 H new ATOM 0 HG LEU A 42 67.105 40.743-117.321 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.019 40.742-115.983 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.835 39.163-115.900 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.950 40.297-114.533 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.356 42.829-116.211 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.291 42.393-114.761 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.132 42.747-116.289 1.00 0.60 H new ATOM 459 N ALA A 43 70.755 38.876-117.685 1.00 0.30 N ATOM 460 CA ALA A 43 71.659 39.132-118.825 1.00 0.30 C ATOM 461 C ALA A 43 71.345 38.033-119.821 1.00 0.29 C ATOM 462 O ALA A 43 71.350 38.216-121.016 1.00 0.28 O ATOM 463 CB ALA A 43 73.116 39.039-118.367 1.00 0.36 C ATOM 0 H ALA A 43 71.190 38.443-116.871 1.00 0.30 H new ATOM 0 HA ALA A 43 71.521 40.125-119.254 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.776 39.229-119.213 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.301 39.780-117.589 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.310 38.042-117.972 1.00 0.36 H new ATOM 469 N GLU A 44 71.046 36.884-119.296 1.00 0.30 N ATOM 470 CA GLU A 44 70.684 35.757-120.191 1.00 0.32 C ATOM 471 C GLU A 44 69.382 36.147-120.909 1.00 0.30 C ATOM 472 O GLU A 44 69.338 36.285-122.115 1.00 0.34 O ATOM 473 CB GLU A 44 70.467 34.484-119.369 1.00 0.37 C ATOM 474 CG GLU A 44 71.821 33.861-119.025 1.00 1.15 C ATOM 475 CD GLU A 44 72.795 34.959-118.597 1.00 2.05 C ATOM 476 OE1 GLU A 44 73.059 35.837-119.402 1.00 2.80 O ATOM 477 OE2 GLU A 44 73.262 34.904-117.472 1.00 2.92 O ATOM 0 H GLU A 44 71.036 36.676-118.297 1.00 0.30 H new ATOM 0 HA GLU A 44 71.480 35.563-120.910 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.920 34.717-118.456 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.861 33.774-119.932 1.00 0.37 H new ATOM 0 HG2 GLU A 44 71.704 33.131-118.224 1.00 1.15 H new ATOM 0 HG3 GLU A 44 72.217 33.326-119.888 1.00 1.15 H new ATOM 484 N LEU A 45 68.321 36.308-120.165 1.00 0.28 N ATOM 485 CA LEU A 45 66.998 36.670-120.774 1.00 0.29 C ATOM 486 C LEU A 45 67.058 38.045-121.457 1.00 0.24 C ATOM 487 O LEU A 45 66.434 38.261-122.477 1.00 0.25 O ATOM 488 CB LEU A 45 65.933 36.706-119.674 1.00 0.34 C ATOM 489 CG LEU A 45 64.587 37.128-120.270 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.916 35.922-120.929 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.687 37.663-119.155 1.00 0.77 C ATOM 0 H LEU A 45 68.309 36.204-119.150 1.00 0.28 H new ATOM 0 HA LEU A 45 66.749 35.921-121.526 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.844 35.724-119.209 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.229 37.404-118.891 1.00 0.34 H new ATOM 0 HG LEU A 45 64.748 37.905-121.017 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.958 36.225-121.352 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.558 35.537-121.722 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.753 35.144-120.183 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.728 37.965-119.575 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.528 36.883-118.410 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.163 38.523-118.684 1.00 0.77 H new ATOM 503 N HIS A 46 67.808 38.969-120.925 1.00 0.21 N ATOM 504 CA HIS A 46 67.898 40.311-121.574 1.00 0.20 C ATOM 505 C HIS A 46 68.782 40.203-122.819 1.00 0.19 C ATOM 506 O HIS A 46 68.429 40.653-123.891 1.00 0.21 O ATOM 507 CB HIS A 46 68.508 41.319-120.598 1.00 0.23 C ATOM 508 CG HIS A 46 68.436 42.704-121.184 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.572 43.405-121.560 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.376 43.537-121.456 1.00 0.27 C ATOM 511 CE1 HIS A 46 69.173 44.601-122.032 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.846 44.732-121.990 1.00 0.31 N ATOM 0 H HIS A 46 68.360 38.857-120.075 1.00 0.21 H new ATOM 0 HA HIS A 46 66.901 40.649-121.856 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.974 41.288-119.648 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.545 41.056-120.390 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.337 43.299-121.282 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.845 45.362-122.400 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.294 45.537-122.286 1.00 0.31 H new ATOM 520 N ALA A 47 69.929 39.603-122.677 1.00 0.19 N ATOM 521 CA ALA A 47 70.852 39.446-123.833 1.00 0.22 C ATOM 522 C ALA A 47 70.114 38.765-124.980 1.00 0.21 C ATOM 523 O ALA A 47 69.999 39.300-126.066 1.00 0.22 O ATOM 524 CB ALA A 47 72.043 38.578-123.414 1.00 0.27 C ATOM 0 H ALA A 47 70.270 39.210-121.799 1.00 0.19 H new ATOM 0 HA ALA A 47 71.205 40.426-124.155 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.722 38.460-124.258 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.570 39.057-122.589 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.685 37.598-123.097 1.00 0.27 H new ATOM 530 N ASP A 48 69.605 37.593-124.743 1.00 0.22 N ATOM 531 CA ASP A 48 68.864 36.874-125.815 1.00 0.25 C ATOM 532 C ASP A 48 67.689 37.738-126.264 1.00 0.22 C ATOM 533 O ASP A 48 67.476 37.954-127.441 1.00 0.25 O ATOM 534 CB ASP A 48 68.346 35.539-125.277 1.00 0.28 C ATOM 535 CG ASP A 48 69.530 34.623-124.957 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.627 34.933-125.392 1.00 0.84 O ATOM 537 OD2 ASP A 48 69.318 33.629-124.283 1.00 0.94 O ATOM 0 H ASP A 48 69.669 37.099-123.853 1.00 0.22 H new ATOM 0 HA ASP A 48 69.527 36.682-126.659 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.747 35.704-124.381 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.695 35.066-126.013 1.00 0.28 H new ATOM 542 N LEU A 49 66.926 38.240-125.334 1.00 0.19 N ATOM 543 CA LEU A 49 65.775 39.095-125.722 1.00 0.19 C ATOM 544 C LEU A 49 66.273 40.170-126.689 1.00 0.18 C ATOM 545 O LEU A 49 65.592 40.534-127.627 1.00 0.19 O ATOM 546 CB LEU A 49 65.157 39.740-124.482 1.00 0.18 C ATOM 547 CG LEU A 49 64.123 38.784-123.880 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.472 39.434-122.660 1.00 1.06 C ATOM 549 CD2 LEU A 49 63.046 38.470-124.923 1.00 0.89 C ATOM 0 H LEU A 49 67.049 38.096-124.332 1.00 0.19 H new ATOM 0 HA LEU A 49 65.009 38.490-126.207 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.932 39.965-123.749 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.685 40.686-124.746 1.00 0.18 H new ATOM 0 HG LEU A 49 64.619 37.861-123.579 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.737 38.752-122.233 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.236 39.656-121.915 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.978 40.358-122.960 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.311 37.790-124.493 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.552 39.393-125.226 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.507 38.003-125.793 1.00 0.89 H new ATOM 561 N LYS A 50 67.470 40.662-126.491 1.00 0.20 N ATOM 562 CA LYS A 50 68.001 41.688-127.433 1.00 0.21 C ATOM 563 C LYS A 50 68.272 40.998-128.767 1.00 0.23 C ATOM 564 O LYS A 50 67.743 41.365-129.792 1.00 0.24 O ATOM 565 CB LYS A 50 69.312 42.265-126.887 1.00 0.24 C ATOM 566 CG LYS A 50 69.034 43.095-125.632 1.00 0.36 C ATOM 567 CD LYS A 50 70.348 43.368-124.898 1.00 0.84 C ATOM 568 CE LYS A 50 71.428 43.759-125.908 1.00 1.09 C ATOM 569 NZ LYS A 50 71.960 42.532-126.566 1.00 1.84 N ATOM 0 H LYS A 50 68.094 40.401-125.728 1.00 0.20 H new ATOM 0 HA LYS A 50 67.283 42.499-127.554 1.00 0.21 H new ATOM 0 HB2 LYS A 50 70.005 41.457-126.653 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.790 42.885-127.645 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.555 44.036-125.904 1.00 0.36 H new ATOM 0 HG3 LYS A 50 68.343 42.563-124.977 1.00 0.36 H new ATOM 0 HD2 LYS A 50 70.210 44.167-124.170 1.00 0.84 H new ATOM 0 HD3 LYS A 50 70.658 42.482-124.344 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.014 44.435-126.656 1.00 1.09 H new ATOM 0 HE3 LYS A 50 72.234 44.294-125.406 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.997 42.588-126.617 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.685 41.695-126.014 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.569 42.456-127.527 1.00 1.84 H new ATOM 583 N ILE A 51 69.091 39.989-128.750 1.00 0.25 N ATOM 584 CA ILE A 51 69.379 39.282-130.024 1.00 0.27 C ATOM 585 C ILE A 51 68.037 39.111-130.731 1.00 0.26 C ATOM 586 O ILE A 51 67.808 39.629-131.821 1.00 0.25 O ATOM 587 CB ILE A 51 69.994 37.910-129.740 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.505 38.059-129.570 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.703 36.966-130.908 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.792 39.003-128.404 1.00 0.30 C ATOM 0 H ILE A 51 69.567 39.627-127.924 1.00 0.25 H new ATOM 0 HA ILE A 51 70.086 39.843-130.635 1.00 0.27 H new ATOM 0 HB ILE A 51 69.562 37.499-128.827 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.959 37.086-129.385 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.949 38.449-130.486 1.00 0.36 H new ATOM 0 HG21 ILE A 51 70.142 35.989-130.704 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.625 36.861-131.031 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.135 37.374-131.822 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.870 39.111-128.280 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.350 39.978-128.608 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.361 38.594-127.490 1.00 0.30 H new ATOM 602 N GLN A 52 67.124 38.425-130.105 1.00 0.26 N ATOM 603 CA GLN A 52 65.791 38.262-130.719 1.00 0.27 C ATOM 604 C GLN A 52 65.249 39.650-131.049 1.00 0.24 C ATOM 605 O GLN A 52 64.490 39.814-131.975 1.00 0.26 O ATOM 606 CB GLN A 52 64.856 37.559-129.734 1.00 0.32 C ATOM 607 CG GLN A 52 63.737 36.862-130.503 1.00 0.45 C ATOM 608 CD GLN A 52 64.293 35.607-131.178 1.00 0.62 C ATOM 609 OE1 GLN A 52 65.022 34.850-130.569 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.980 35.354-132.418 1.00 0.48 N ATOM 0 H GLN A 52 67.248 37.974-129.199 1.00 0.26 H new ATOM 0 HA GLN A 52 65.860 37.660-131.625 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.413 36.832-129.143 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.436 38.283-129.036 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.926 36.595-129.825 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.319 37.536-131.251 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.368 35.990-132.929 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.347 34.520-132.877 1.00 0.48 H new ATOM 619 N GLU A 53 65.635 40.659-130.300 1.00 0.23 N ATOM 620 CA GLU A 53 65.132 42.028-130.605 1.00 0.23 C ATOM 621 C GLU A 53 65.710 42.483-131.938 1.00 0.20 C ATOM 622 O GLU A 53 65.005 42.984-132.783 1.00 0.21 O ATOM 623 CB GLU A 53 65.551 43.025-129.527 1.00 0.25 C ATOM 624 CG GLU A 53 65.115 44.432-129.953 1.00 0.28 C ATOM 625 CD GLU A 53 66.344 45.343-130.015 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.094 45.359-129.054 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.516 46.005-131.024 1.00 1.04 O ATOM 0 H GLU A 53 66.268 40.591-129.503 1.00 0.23 H new ATOM 0 HA GLU A 53 64.043 41.992-130.644 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.094 42.762-128.573 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.631 42.993-129.383 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.626 44.395-130.926 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.388 44.830-129.245 1.00 0.28 H new ATOM 634 N ARG A 54 66.986 42.311-132.151 1.00 0.22 N ATOM 635 CA ARG A 54 67.571 42.733-133.447 1.00 0.22 C ATOM 636 C ARG A 54 66.820 42.025-134.560 1.00 0.20 C ATOM 637 O ARG A 54 66.615 42.556-135.636 1.00 0.21 O ATOM 638 CB ARG A 54 69.038 42.313-133.494 1.00 0.24 C ATOM 639 CG ARG A 54 69.867 43.265-132.636 1.00 0.27 C ATOM 640 CD ARG A 54 71.269 43.403-133.232 1.00 0.85 C ATOM 641 NE ARG A 54 71.984 42.100-133.127 1.00 1.55 N ATOM 642 CZ ARG A 54 73.067 41.891-133.826 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.525 42.825-134.614 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.692 40.750-133.735 1.00 3.03 N ATOM 0 H ARG A 54 67.642 41.899-131.487 1.00 0.22 H new ATOM 0 HA ARG A 54 67.495 43.814-133.563 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.147 41.291-133.131 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.398 42.326-134.523 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.384 44.241-132.587 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.930 42.889-131.615 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.203 43.711-134.276 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.825 44.179-132.705 1.00 0.85 H new ATOM 0 HE ARG A 54 71.627 41.371-132.509 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.037 43.718-134.684 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.371 42.662-135.160 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.335 40.021-133.118 1.00 3.03 H new ATOM 0 HH22 ARG A 54 74.538 40.587-134.281 1.00 3.03 H new ATOM 658 N ASP A 55 66.385 40.831-134.291 1.00 0.20 N ATOM 659 CA ASP A 55 65.618 40.073-135.321 1.00 0.21 C ATOM 660 C ASP A 55 64.154 40.534-135.316 1.00 0.21 C ATOM 661 O ASP A 55 63.507 40.609-136.350 1.00 0.20 O ATOM 662 CB ASP A 55 65.682 38.577-135.005 1.00 0.25 C ATOM 663 CG ASP A 55 67.129 38.093-135.112 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.937 38.819-135.668 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.406 37.004-134.636 1.00 0.94 O ATOM 0 H ASP A 55 66.525 40.344-133.406 1.00 0.20 H new ATOM 0 HA ASP A 55 66.052 40.257-136.304 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.298 38.390-134.002 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.050 38.021-135.697 1.00 0.25 H new ATOM 670 N GLU A 56 63.630 40.879-134.170 1.00 0.27 N ATOM 671 CA GLU A 56 62.224 41.352-134.114 1.00 0.32 C ATOM 672 C GLU A 56 62.148 42.698-134.809 1.00 0.30 C ATOM 673 O GLU A 56 61.333 42.912-135.679 1.00 0.31 O ATOM 674 CB GLU A 56 61.779 41.493-132.657 1.00 0.39 C ATOM 675 CG GLU A 56 61.632 40.103-132.034 1.00 0.44 C ATOM 676 CD GLU A 56 61.842 40.197-130.521 1.00 0.89 C ATOM 677 OE1 GLU A 56 62.986 40.156-130.098 1.00 1.72 O ATOM 678 OE2 GLU A 56 60.856 40.305-129.812 1.00 1.39 O ATOM 0 H GLU A 56 64.117 40.852-133.274 1.00 0.27 H new ATOM 0 HA GLU A 56 61.567 40.636-134.608 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.508 42.079-132.098 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.831 42.029-132.605 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.643 39.699-132.250 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.359 39.418-132.471 1.00 0.44 H new ATOM 685 N LEU A 57 63.020 43.599-134.460 1.00 0.30 N ATOM 686 CA LEU A 57 63.017 44.913-135.138 1.00 0.32 C ATOM 687 C LEU A 57 63.278 44.657-136.618 1.00 0.28 C ATOM 688 O LEU A 57 62.561 45.125-137.479 1.00 0.29 O ATOM 689 CB LEU A 57 64.127 45.800-134.567 1.00 0.36 C ATOM 690 CG LEU A 57 63.698 46.354-133.207 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.831 47.196-132.620 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.457 47.229-133.384 1.00 1.22 C ATOM 0 H LEU A 57 63.730 43.480-133.737 1.00 0.30 H new ATOM 0 HA LEU A 57 62.063 45.420-134.990 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.047 45.225-134.462 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.340 46.620-135.253 1.00 0.36 H new ATOM 0 HG LEU A 57 63.470 45.528-132.533 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.526 47.591-131.651 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.719 46.576-132.496 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.057 48.022-133.294 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.150 47.625-132.416 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.687 48.055-134.057 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.648 46.632-133.805 1.00 1.22 H new ATOM 704 N ALA A 58 64.288 43.884-136.926 1.00 0.25 N ATOM 705 CA ALA A 58 64.558 43.578-138.352 1.00 0.24 C ATOM 706 C ALA A 58 63.259 43.079-138.977 1.00 0.21 C ATOM 707 O ALA A 58 63.028 43.226-140.162 1.00 0.21 O ATOM 708 CB ALA A 58 65.633 42.494-138.455 1.00 0.24 C ATOM 0 H ALA A 58 64.928 43.458-136.256 1.00 0.25 H new ATOM 0 HA ALA A 58 64.913 44.468-138.872 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.827 42.273-139.504 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.550 42.845-137.982 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.288 41.591-137.952 1.00 0.24 H new ATOM 714 N TRP A 59 62.394 42.506-138.180 1.00 0.19 N ATOM 715 CA TRP A 59 61.105 42.025-138.742 1.00 0.18 C ATOM 716 C TRP A 59 60.093 43.175-138.806 1.00 0.20 C ATOM 717 O TRP A 59 59.472 43.400-139.826 1.00 0.30 O ATOM 718 CB TRP A 59 60.518 40.892-137.908 1.00 0.19 C ATOM 719 CG TRP A 59 59.285 40.423-138.606 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.251 39.479-139.575 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.915 40.878-138.428 1.00 0.27 C ATOM 722 NE1 TRP A 59 57.952 39.339-140.017 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.086 40.173-139.333 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.316 41.825-137.578 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.711 40.403-139.392 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.933 42.056-137.634 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.133 41.347-138.539 1.00 0.39 C ATOM 0 H TRP A 59 62.524 42.354-137.180 1.00 0.19 H new ATOM 0 HA TRP A 59 61.307 41.650-139.745 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.236 40.078-137.806 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.282 41.237-136.901 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.102 38.925-139.942 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.665 38.699-140.758 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.924 42.378-136.878 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.098 39.855-140.092 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.483 42.784-136.976 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.069 41.530-138.578 1.00 0.39 H new ATOM 738 N LYS A 60 59.922 43.914-137.740 1.00 0.27 N ATOM 739 CA LYS A 60 58.945 45.037-137.809 1.00 0.30 C ATOM 740 C LYS A 60 59.201 45.738-139.138 1.00 0.29 C ATOM 741 O LYS A 60 58.297 46.148-139.843 1.00 0.31 O ATOM 742 CB LYS A 60 59.150 46.015-136.642 1.00 0.38 C ATOM 743 CG LYS A 60 60.240 47.032-136.990 1.00 0.42 C ATOM 744 CD LYS A 60 60.378 48.042-135.849 1.00 1.08 C ATOM 745 CE LYS A 60 59.202 49.021-135.887 1.00 1.53 C ATOM 746 NZ LYS A 60 58.052 48.448-135.133 1.00 2.27 N ATOM 0 H LYS A 60 60.403 43.793-136.849 1.00 0.27 H new ATOM 0 HA LYS A 60 57.921 44.670-137.738 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.216 46.533-136.423 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.428 45.466-135.742 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.189 46.522-137.155 1.00 0.42 H new ATOM 0 HG3 LYS A 60 59.989 47.547-137.917 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.402 47.523-134.891 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.319 48.584-135.941 1.00 1.08 H new ATOM 0 HE2 LYS A 60 59.496 49.976-135.452 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.912 49.217-136.919 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 57.302 48.173-135.799 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 58.367 47.611-134.602 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 57.682 49.159-134.470 1.00 2.27 H new ATOM 760 N LYS A 61 60.451 45.836-139.490 1.00 0.28 N ATOM 761 CA LYS A 61 60.810 46.468-140.781 1.00 0.30 C ATOM 762 C LYS A 61 60.448 45.505-141.912 1.00 0.27 C ATOM 763 O LYS A 61 59.816 45.883-142.868 1.00 0.35 O ATOM 764 CB LYS A 61 62.306 46.773-140.824 1.00 0.35 C ATOM 765 CG LYS A 61 62.729 47.448-139.518 1.00 0.40 C ATOM 766 CD LYS A 61 63.740 48.556-139.821 1.00 0.77 C ATOM 767 CE LYS A 61 65.037 47.935-140.345 1.00 1.42 C ATOM 768 NZ LYS A 61 66.106 48.972-140.379 1.00 2.43 N ATOM 0 H LYS A 61 61.240 45.504-138.935 1.00 0.28 H new ATOM 0 HA LYS A 61 60.263 47.404-140.894 1.00 0.30 H new ATOM 0 HB2 LYS A 61 62.871 45.852-140.969 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.531 47.422-141.670 1.00 0.35 H new ATOM 0 HG2 LYS A 61 61.858 47.864-139.012 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.169 46.714-138.843 1.00 0.40 H new ATOM 0 HD2 LYS A 61 63.330 49.245-140.560 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.940 49.136-138.920 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.340 47.106-139.706 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.880 47.527-141.343 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.987 48.550-140.735 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 65.816 49.749-141.006 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.262 49.341-139.419 1.00 2.43 H new ATOM 782 N LEU A 62 60.843 44.261-141.826 1.00 0.24 N ATOM 783 CA LEU A 62 60.503 43.314-142.923 1.00 0.24 C ATOM 784 C LEU A 62 59.043 43.514-143.298 1.00 0.24 C ATOM 785 O LEU A 62 58.707 43.876-144.407 1.00 0.26 O ATOM 786 CB LEU A 62 60.666 41.871-142.440 1.00 0.24 C ATOM 787 CG LEU A 62 62.120 41.419-142.581 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.450 40.418-141.472 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.316 40.738-143.937 1.00 0.41 C ATOM 0 H LEU A 62 61.379 43.866-141.053 1.00 0.24 H new ATOM 0 HA LEU A 62 61.161 43.498-143.772 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.354 41.793-141.398 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.017 41.213-143.017 1.00 0.24 H new ATOM 0 HG LEU A 62 62.775 42.287-142.506 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.486 40.094-141.571 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.309 40.892-140.500 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.791 39.554-141.554 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.353 40.416-144.036 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.659 39.871-144.007 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.076 41.441-144.735 1.00 0.41 H new ATOM 801 N LYS A 63 58.175 43.244-142.370 1.00 0.24 N ATOM 802 CA LYS A 63 56.720 43.374-142.649 1.00 0.26 C ATOM 803 C LYS A 63 56.387 44.805-143.078 1.00 0.29 C ATOM 804 O LYS A 63 55.555 45.019-143.939 1.00 0.30 O ATOM 805 CB LYS A 63 55.919 43.010-141.398 1.00 0.34 C ATOM 806 CG LYS A 63 56.400 43.846-140.212 1.00 0.46 C ATOM 807 CD LYS A 63 55.196 44.295-139.383 1.00 0.41 C ATOM 808 CE LYS A 63 54.613 45.580-139.975 1.00 0.58 C ATOM 809 NZ LYS A 63 53.146 45.412-140.179 1.00 1.20 N ATOM 0 H LYS A 63 58.410 42.938-141.426 1.00 0.24 H new ATOM 0 HA LYS A 63 56.455 42.694-143.458 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.857 43.186-141.571 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.035 41.949-141.177 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.083 43.262-139.595 1.00 0.46 H new ATOM 0 HG3 LYS A 63 56.955 44.714-140.567 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.438 43.512-139.371 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.497 44.463-138.349 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.804 46.420-139.307 1.00 0.58 H new ATOM 0 HE3 LYS A 63 55.099 45.809-140.923 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.749 46.285-140.581 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 52.975 44.621-140.832 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 52.689 45.213-139.266 1.00 1.20 H new ATOM 823 N LEU A 64 57.018 45.794-142.499 1.00 0.33 N ATOM 824 CA LEU A 64 56.723 47.203-142.889 1.00 0.43 C ATOM 825 C LEU A 64 57.138 47.457-144.342 1.00 0.52 C ATOM 826 O LEU A 64 56.370 47.951-145.145 1.00 0.75 O ATOM 827 CB LEU A 64 57.517 48.129-141.962 1.00 0.38 C ATOM 828 CG LEU A 64 56.699 48.423-140.704 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.519 49.299-139.756 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.414 49.158-141.093 1.00 1.23 C ATOM 0 H LEU A 64 57.725 45.685-141.772 1.00 0.33 H new ATOM 0 HA LEU A 64 55.653 47.392-142.800 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.464 47.663-141.691 1.00 0.38 H new ATOM 0 HB3 LEU A 64 57.755 49.059-142.478 1.00 0.38 H new ATOM 0 HG LEU A 64 56.447 47.486-140.207 1.00 0.50 H new ATOM 0 HD11 LEU A 64 56.936 49.509-138.859 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.435 48.777-139.480 1.00 1.10 H new ATOM 0 HD13 LEU A 64 57.771 50.236-140.253 1.00 1.10 H new ATOM 0 HD21 LEU A 64 54.830 49.368-140.197 1.00 1.23 H new ATOM 0 HD22 LEU A 64 55.667 50.095-141.590 1.00 1.23 H new ATOM 0 HD23 LEU A 64 54.829 48.535-141.770 1.00 1.23 H new ATOM 842 N ASP A 65 58.350 47.131-144.672 1.00 0.45 N ATOM 843 CA ASP A 65 58.846 47.354-146.057 1.00 0.60 C ATOM 844 C ASP A 65 58.286 46.281-146.992 1.00 0.96 C ATOM 845 O ASP A 65 58.475 46.340-148.191 1.00 0.98 O ATOM 846 CB ASP A 65 60.375 47.289-146.066 1.00 0.53 C ATOM 847 CG ASP A 65 60.942 48.557-145.425 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.172 49.472-145.187 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.138 48.590-145.184 1.00 1.14 O ATOM 0 H ASP A 65 59.029 46.714-144.035 1.00 0.45 H new ATOM 0 HA ASP A 65 58.517 48.335-146.401 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.716 46.409-145.520 1.00 0.53 H new ATOM 0 HB3 ASP A 65 60.740 47.191-147.088 1.00 0.53 H new ATOM 854 N GLY A 66 57.597 45.303-146.468 1.00 1.30 N ATOM 855 CA GLY A 66 57.031 44.244-147.351 1.00 1.72 C ATOM 856 C GLY A 66 58.132 43.268-147.772 1.00 0.91 C ATOM 857 O GLY A 66 58.409 43.106-148.944 1.00 1.14 O ATOM 0 H GLY A 66 57.403 45.192-145.473 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.239 43.708-146.828 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.579 44.698-148.233 1.00 1.72 H new ATOM 861 N LEU A 67 58.761 42.608-146.833 1.00 0.37 N ATOM 862 CA LEU A 67 59.830 41.644-147.209 1.00 1.03 C ATOM 863 C LEU A 67 59.334 40.216-146.982 1.00 0.91 C ATOM 864 O LEU A 67 59.557 39.343-147.797 1.00 1.09 O ATOM 865 CB LEU A 67 61.083 41.906-146.375 1.00 1.69 C ATOM 866 CG LEU A 67 61.855 43.083-146.979 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.109 43.361-146.149 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.262 42.740-148.413 1.00 2.68 C ATOM 0 H LEU A 67 58.581 42.696-145.833 1.00 0.37 H new ATOM 0 HA LEU A 67 60.078 41.772-148.263 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.808 42.127-145.344 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.712 41.016-146.353 1.00 1.69 H new ATOM 0 HG LEU A 67 61.219 43.968-146.979 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.654 44.199-146.583 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.822 43.606-145.126 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.746 42.477-146.145 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.812 43.576-148.845 1.00 2.68 H new ATOM 0 HD22 LEU A 67 62.895 41.853-148.409 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.370 42.546-149.008 1.00 2.68 H new ATOM 880 N ASP A 68 58.588 39.984-145.936 1.00 0.69 N ATOM 881 CA ASP A 68 57.985 38.640-145.711 1.00 0.59 C ATOM 882 C ASP A 68 56.487 38.835-145.909 1.00 0.59 C ATOM 883 O ASP A 68 55.846 39.434-145.069 1.00 0.59 O ATOM 884 CB ASP A 68 58.262 38.183-144.269 1.00 0.53 C ATOM 885 CG ASP A 68 58.135 36.662-144.187 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.326 36.014-145.203 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.849 36.168-143.108 1.00 0.97 O ATOM 0 H ASP A 68 58.369 40.677-145.220 1.00 0.69 H new ATOM 0 HA ASP A 68 58.394 37.888-146.385 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.261 38.493-143.963 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.558 38.656-143.584 1.00 0.53 H new ATOM 892 N GLU A 69 55.891 38.414-146.992 1.00 0.63 N ATOM 893 CA GLU A 69 54.441 38.695-147.148 1.00 0.69 C ATOM 894 C GLU A 69 53.579 37.690-146.390 1.00 0.71 C ATOM 895 O GLU A 69 52.371 37.820-146.370 1.00 0.77 O ATOM 896 CB GLU A 69 54.079 38.644-148.633 1.00 0.73 C ATOM 897 CG GLU A 69 54.734 37.420-149.277 1.00 0.75 C ATOM 898 CD GLU A 69 56.101 37.810-149.842 1.00 1.36 C ATOM 899 OE1 GLU A 69 56.248 38.950-150.249 1.00 2.06 O ATOM 900 OE2 GLU A 69 56.977 36.962-149.858 1.00 1.82 O ATOM 0 H GLU A 69 56.333 37.901-147.755 1.00 0.63 H new ATOM 0 HA GLU A 69 54.245 39.684-146.734 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.997 38.596-148.753 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.414 39.554-149.131 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.847 36.625-148.540 1.00 0.75 H new ATOM 0 HG3 GLU A 69 54.098 37.030-150.072 1.00 0.75 H new ATOM 907 N ASP A 70 54.139 36.700-145.748 1.00 0.72 N ATOM 908 CA ASP A 70 53.272 35.747-145.001 1.00 0.78 C ATOM 909 C ASP A 70 53.643 35.838-143.522 1.00 0.69 C ATOM 910 O ASP A 70 53.198 35.063-142.699 1.00 0.84 O ATOM 911 CB ASP A 70 53.513 34.323-145.508 1.00 0.83 C ATOM 912 CG ASP A 70 53.177 34.246-146.998 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.826 35.271-147.558 1.00 1.34 O ATOM 914 OD2 ASP A 70 53.277 33.165-147.552 1.00 1.43 O ATOM 0 H ASP A 70 55.141 36.512-145.709 1.00 0.72 H new ATOM 0 HA ASP A 70 52.220 35.994-145.146 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.552 34.039-145.344 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.898 33.618-144.949 1.00 0.83 H new ATOM 919 N GLY A 71 54.452 36.804-143.192 1.00 0.50 N ATOM 920 CA GLY A 71 54.869 37.000-141.778 1.00 0.43 C ATOM 921 C GLY A 71 55.599 35.762-141.248 1.00 0.34 C ATOM 922 O GLY A 71 55.697 35.569-140.052 1.00 0.31 O ATOM 0 H GLY A 71 54.847 37.475-143.851 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.520 37.871-141.704 1.00 0.43 H new ATOM 0 HA3 GLY A 71 53.994 37.203-141.161 1.00 0.43 H new ATOM 926 N GLU A 72 56.126 34.922-142.102 1.00 0.36 N ATOM 927 CA GLU A 72 56.844 33.726-141.572 1.00 0.34 C ATOM 928 C GLU A 72 58.047 34.217-140.766 1.00 0.30 C ATOM 929 O GLU A 72 58.243 33.843-139.629 1.00 0.30 O ATOM 930 CB GLU A 72 57.324 32.855-142.737 1.00 0.40 C ATOM 931 CG GLU A 72 56.182 31.950-143.203 1.00 1.23 C ATOM 932 CD GLU A 72 56.034 30.775-142.234 1.00 1.97 C ATOM 933 OE1 GLU A 72 56.932 30.577-141.433 1.00 2.68 O ATOM 934 OE2 GLU A 72 55.024 30.095-142.310 1.00 2.64 O ATOM 0 H GLU A 72 56.092 35.008-143.118 1.00 0.36 H new ATOM 0 HA GLU A 72 56.181 33.133-140.942 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.662 33.484-143.560 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.177 32.251-142.426 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.252 32.516-143.250 1.00 1.23 H new ATOM 0 HG3 GLU A 72 56.383 31.582-144.209 1.00 1.23 H new ATOM 941 N LYS A 73 58.850 35.063-141.349 1.00 0.31 N ATOM 942 CA LYS A 73 60.029 35.583-140.606 1.00 0.33 C ATOM 943 C LYS A 73 59.549 35.994-139.215 1.00 0.29 C ATOM 944 O LYS A 73 60.270 35.927-138.228 1.00 0.29 O ATOM 945 CB LYS A 73 60.607 36.792-141.344 1.00 0.38 C ATOM 946 CG LYS A 73 61.112 36.356-142.721 1.00 0.55 C ATOM 947 CD LYS A 73 61.947 37.476-143.341 1.00 1.07 C ATOM 948 CE LYS A 73 63.416 37.286-142.958 1.00 1.38 C ATOM 949 NZ LYS A 73 63.574 37.467-141.487 1.00 2.36 N ATOM 0 H LYS A 73 58.742 35.414-142.301 1.00 0.31 H new ATOM 0 HA LYS A 73 60.808 34.825-140.530 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.845 37.564-141.452 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.423 37.228-140.767 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.711 35.450-142.629 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.269 36.116-143.369 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.838 37.468-144.426 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.591 38.446-142.992 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.754 36.292-143.251 1.00 1.38 H new ATOM 0 HE3 LYS A 73 64.038 38.004-143.492 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.432 38.023-141.296 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.745 37.968-141.108 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.655 36.537-141.029 1.00 2.36 H new ATOM 963 N GLU A 74 58.292 36.319-139.122 1.00 0.28 N ATOM 964 CA GLU A 74 57.701 36.645-137.803 1.00 0.28 C ATOM 965 C GLU A 74 57.432 35.305-137.139 1.00 0.26 C ATOM 966 O GLU A 74 57.601 35.120-135.967 1.00 0.27 O ATOM 967 CB GLU A 74 56.386 37.395-138.001 1.00 0.31 C ATOM 968 CG GLU A 74 56.100 38.245-136.767 1.00 0.37 C ATOM 969 CD GLU A 74 54.629 38.103-136.375 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.843 37.717-137.225 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.312 38.385-135.230 1.00 1.14 O ATOM 0 H GLU A 74 57.647 36.372-139.910 1.00 0.28 H new ATOM 0 HA GLU A 74 58.359 37.273-137.203 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.445 38.027-138.887 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.573 36.689-138.167 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.739 37.931-135.941 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.333 39.290-136.971 1.00 0.37 H new ATOM 978 N ALA A 75 57.020 34.377-137.938 1.00 0.25 N ATOM 979 CA ALA A 75 56.750 33.018-137.411 1.00 0.27 C ATOM 980 C ALA A 75 58.032 32.547-136.749 1.00 0.26 C ATOM 981 O ALA A 75 58.084 32.373-135.551 1.00 0.27 O ATOM 982 CB ALA A 75 56.347 32.068-138.541 1.00 0.30 C ATOM 0 H ALA A 75 56.857 34.497-138.938 1.00 0.25 H new ATOM 0 HA ALA A 75 55.924 33.034-136.700 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.154 31.077-138.131 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.446 32.442-139.027 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.154 32.008-139.271 1.00 0.30 H new ATOM 988 N ARG A 76 59.070 32.338-137.501 1.00 0.28 N ATOM 989 CA ARG A 76 60.328 31.880-136.859 1.00 0.31 C ATOM 990 C ARG A 76 60.594 32.748-135.633 1.00 0.28 C ATOM 991 O ARG A 76 60.892 32.252-134.564 1.00 0.30 O ATOM 992 CB ARG A 76 61.500 31.980-137.840 1.00 0.35 C ATOM 993 CG ARG A 76 61.485 33.340-138.535 1.00 0.66 C ATOM 994 CD ARG A 76 62.534 34.251-137.897 1.00 1.00 C ATOM 995 NE ARG A 76 63.894 33.830-138.341 1.00 1.51 N ATOM 996 CZ ARG A 76 64.912 34.628-138.171 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.742 35.793-137.609 1.00 2.34 N ATOM 998 NH2 ARG A 76 66.101 34.259-138.562 1.00 3.14 N ATOM 0 H ARG A 76 59.105 32.461-138.513 1.00 0.28 H new ATOM 0 HA ARG A 76 60.226 30.837-136.561 1.00 0.31 H new ATOM 0 HB2 ARG A 76 62.442 31.844-137.309 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.434 31.183-138.581 1.00 0.35 H new ATOM 0 HG2 ARG A 76 61.692 33.219-139.598 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.497 33.792-138.452 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.352 35.288-138.181 1.00 1.00 H new ATOM 0 HD3 ARG A 76 62.463 34.201-136.811 1.00 1.00 H new ATOM 0 HE ARG A 76 64.028 32.918-138.778 1.00 1.51 H new ATOM 0 HH11 ARG A 76 63.813 36.080-137.302 1.00 2.34 H new ATOM 0 HH12 ARG A 76 65.538 36.416-137.476 1.00 2.34 H new ATOM 0 HH21 ARG A 76 66.234 33.347-139.000 1.00 3.14 H new ATOM 0 HH22 ARG A 76 66.898 34.882-138.430 1.00 3.14 H new ATOM 1012 N LEU A 77 60.487 34.043-135.768 1.00 0.30 N ATOM 1013 CA LEU A 77 60.736 34.920-134.587 1.00 0.31 C ATOM 1014 C LEU A 77 59.816 34.506-133.434 1.00 0.29 C ATOM 1015 O LEU A 77 60.266 34.144-132.368 1.00 0.30 O ATOM 1016 CB LEU A 77 60.472 36.376-134.962 1.00 0.35 C ATOM 1017 CG LEU A 77 61.747 36.979-135.550 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.407 38.270-136.291 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.736 37.284-134.422 1.00 0.38 C ATOM 0 H LEU A 77 60.242 34.526-136.632 1.00 0.30 H new ATOM 0 HA LEU A 77 61.774 34.814-134.273 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.659 36.437-135.685 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.160 36.940-134.083 1.00 0.35 H new ATOM 0 HG LEU A 77 62.196 36.269-136.245 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.317 38.699-136.710 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.704 38.053-137.095 1.00 0.51 H new ATOM 0 HD13 LEU A 77 60.957 38.980-135.597 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.645 37.714-134.842 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.287 37.993-133.726 1.00 0.38 H new ATOM 0 HD23 LEU A 77 62.981 36.363-133.894 1.00 0.38 H new ATOM 1031 N ILE A 78 58.532 34.548-133.649 1.00 0.29 N ATOM 1032 CA ILE A 78 57.566 34.152-132.585 1.00 0.32 C ATOM 1033 C ILE A 78 57.967 32.796-132.028 1.00 0.30 C ATOM 1034 O ILE A 78 57.993 32.581-130.841 1.00 0.32 O ATOM 1035 CB ILE A 78 56.170 34.055-133.183 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.711 35.451-133.580 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.206 33.472-132.147 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.854 35.362-134.837 1.00 0.37 C ATOM 0 H ILE A 78 58.104 34.843-134.527 1.00 0.29 H new ATOM 0 HA ILE A 78 57.572 34.895-131.788 1.00 0.32 H new ATOM 0 HB ILE A 78 56.185 33.406-134.058 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.141 35.903-132.769 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.574 36.093-133.759 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.207 33.404-132.578 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.544 32.478-131.854 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.180 34.119-131.270 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.524 36.360-135.124 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.440 34.927-135.647 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.984 34.735-134.641 1.00 0.37 H new ATOM 1050 N ARG A 79 58.301 31.889-132.891 1.00 0.29 N ATOM 1051 CA ARG A 79 58.736 30.541-132.411 1.00 0.32 C ATOM 1052 C ARG A 79 60.026 30.718-131.601 1.00 0.26 C ATOM 1053 O ARG A 79 60.324 29.944-130.713 1.00 0.26 O ATOM 1054 CB ARG A 79 58.991 29.620-133.606 1.00 0.38 C ATOM 1055 CG ARG A 79 59.951 28.502-133.194 1.00 0.39 C ATOM 1056 CD ARG A 79 60.001 27.445-134.298 1.00 0.39 C ATOM 1057 NE ARG A 79 59.863 26.084-133.698 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.479 25.781-132.586 1.00 2.14 C ATOM 1059 NH1 ARG A 79 61.274 26.646-132.016 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.313 24.603-132.051 1.00 3.27 N ATOM 0 H ARG A 79 58.295 32.013-133.903 1.00 0.29 H new ATOM 0 HA ARG A 79 57.960 30.092-131.790 1.00 0.32 H new ATOM 0 HB2 ARG A 79 58.051 29.195-133.958 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.413 30.190-134.434 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.947 28.909-133.019 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.622 28.051-132.258 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.201 27.619-135.018 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.942 27.519-134.843 1.00 0.39 H new ATOM 0 HE ARG A 79 59.282 25.384-134.161 1.00 1.50 H new ATOM 0 HH11 ARG A 79 61.417 27.563-132.439 1.00 2.28 H new ATOM 0 HH12 ARG A 79 61.752 26.404-131.148 1.00 2.28 H new ATOM 0 HH21 ARG A 79 59.703 23.920-132.501 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.793 24.365-131.183 1.00 3.27 H new ATOM 1074 N ASN A 80 60.782 31.748-131.889 1.00 0.23 N ATOM 1075 CA ASN A 80 62.039 31.995-131.121 1.00 0.21 C ATOM 1076 C ASN A 80 61.680 32.742-129.839 1.00 0.21 C ATOM 1077 O ASN A 80 62.388 32.684-128.850 1.00 0.22 O ATOM 1078 CB ASN A 80 63.004 32.833-131.960 1.00 0.23 C ATOM 1079 CG ASN A 80 63.585 31.974-133.084 1.00 0.30 C ATOM 1080 OD1 ASN A 80 64.349 32.452-133.898 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.253 30.714-133.163 1.00 1.15 N ATOM 0 H ASN A 80 60.582 32.428-132.623 1.00 0.23 H new ATOM 0 HA ASN A 80 62.523 31.049-130.879 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.484 33.695-132.379 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.807 33.219-131.332 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.635 30.132-133.908 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.611 30.312-132.480 1.00 1.15 H new ATOM 1088 N LEU A 81 60.539 33.370-129.824 1.00 0.23 N ATOM 1089 CA LEU A 81 60.088 34.042-128.581 1.00 0.28 C ATOM 1090 C LEU A 81 59.537 32.923-127.722 1.00 0.30 C ATOM 1091 O LEU A 81 59.929 32.716-126.597 1.00 0.31 O ATOM 1092 CB LEU A 81 58.982 35.057-128.891 1.00 0.35 C ATOM 1093 CG LEU A 81 59.602 36.408-129.254 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.450 36.913-128.086 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.483 36.251-130.495 1.00 1.26 C ATOM 0 H LEU A 81 59.902 33.446-130.617 1.00 0.23 H new ATOM 0 HA LEU A 81 60.895 34.589-128.093 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.366 34.697-129.715 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.326 35.168-128.028 1.00 0.35 H new ATOM 0 HG LEU A 81 58.808 37.125-129.462 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.891 37.875-128.346 1.00 1.28 H new ATOM 0 HD12 LEU A 81 59.821 37.029-127.203 1.00 1.28 H new ATOM 0 HD13 LEU A 81 61.243 36.196-127.875 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.924 37.214-130.752 1.00 1.26 H new ATOM 0 HD22 LEU A 81 61.276 35.532-130.290 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.877 35.895-131.328 1.00 1.26 H new ATOM 1107 N ASN A 82 58.658 32.165-128.301 1.00 0.35 N ATOM 1108 CA ASN A 82 58.076 30.996-127.613 1.00 0.42 C ATOM 1109 C ASN A 82 59.206 30.181-126.995 1.00 0.37 C ATOM 1110 O ASN A 82 59.253 29.975-125.803 1.00 0.38 O ATOM 1111 CB ASN A 82 57.321 30.170-128.663 1.00 0.51 C ATOM 1112 CG ASN A 82 55.884 30.679-128.779 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.658 31.853-128.992 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.895 29.838-128.647 1.00 0.98 N ATOM 0 H ASN A 82 58.311 32.314-129.249 1.00 0.35 H new ATOM 0 HA ASN A 82 57.391 31.295-126.820 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.823 30.244-129.628 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.323 29.117-128.382 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.932 30.167-128.723 1.00 0.98 H new ATOM 0 HD22 ASN A 82 55.085 28.852-128.468 1.00 0.98 H new ATOM 1121 N VAL A 83 60.128 29.733-127.795 1.00 0.35 N ATOM 1122 CA VAL A 83 61.266 28.952-127.242 1.00 0.36 C ATOM 1123 C VAL A 83 61.906 29.757-126.110 1.00 0.32 C ATOM 1124 O VAL A 83 62.083 29.272-125.014 1.00 0.35 O ATOM 1125 CB VAL A 83 62.299 28.707-128.343 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.500 27.959-127.761 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.668 27.868-129.456 1.00 0.44 C ATOM 0 H VAL A 83 60.144 29.873-128.805 1.00 0.35 H new ATOM 0 HA VAL A 83 60.913 27.993-126.864 1.00 0.36 H new ATOM 0 HB VAL A 83 62.629 29.663-128.749 1.00 0.38 H new ATOM 0 HG11 VAL A 83 64.236 27.785-128.546 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.950 28.555-126.968 1.00 0.42 H new ATOM 0 HG13 VAL A 83 63.171 27.003-127.354 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.404 27.693-130.241 1.00 0.44 H new ATOM 0 HG22 VAL A 83 61.338 26.912-129.049 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.813 28.400-129.872 1.00 0.44 H new ATOM 1137 N ILE A 84 62.250 30.988-126.374 1.00 0.27 N ATOM 1138 CA ILE A 84 62.876 31.823-125.308 1.00 0.30 C ATOM 1139 C ILE A 84 62.033 31.730-124.030 1.00 0.31 C ATOM 1140 O ILE A 84 62.527 31.416-122.962 1.00 0.37 O ATOM 1141 CB ILE A 84 62.948 33.272-125.766 1.00 0.34 C ATOM 1142 CG1 ILE A 84 64.128 33.428-126.720 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.150 34.184-124.554 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.910 34.656-127.591 1.00 0.37 C ATOM 0 H ILE A 84 62.126 31.450-127.275 1.00 0.27 H new ATOM 0 HA ILE A 84 63.884 31.460-125.109 1.00 0.30 H new ATOM 0 HB ILE A 84 62.022 33.546-126.271 1.00 0.34 H new ATOM 0 HG12 ILE A 84 65.056 33.528-126.156 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.227 32.539-127.343 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.201 35.222-124.884 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.314 34.063-123.865 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.078 33.918-124.049 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.751 34.771-128.274 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.990 34.537-128.164 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.832 35.541-126.959 1.00 0.37 H new ATOM 1156 N LEU A 85 60.761 32.005-124.136 1.00 0.35 N ATOM 1157 CA LEU A 85 59.875 31.939-122.938 1.00 0.42 C ATOM 1158 C LEU A 85 59.908 30.528-122.368 1.00 0.42 C ATOM 1159 O LEU A 85 60.261 30.316-121.228 1.00 0.47 O ATOM 1160 CB LEU A 85 58.447 32.292-123.352 1.00 0.54 C ATOM 1161 CG LEU A 85 58.284 33.811-123.376 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.123 34.324-121.950 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.525 34.452-124.002 1.00 0.61 C ATOM 0 H LEU A 85 60.296 32.273-125.003 1.00 0.35 H new ATOM 0 HA LEU A 85 60.220 32.644-122.181 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.229 31.877-124.336 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.735 31.850-122.655 1.00 0.54 H new ATOM 0 HG LEU A 85 57.404 34.070-123.964 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.007 35.408-121.964 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.241 33.870-121.497 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.006 34.062-121.367 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.406 35.535-124.018 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.405 34.192-123.413 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.649 34.086-125.021 1.00 0.61 H new ATOM 1175 N ALA A 86 59.549 29.561-123.154 1.00 0.47 N ATOM 1176 CA ALA A 86 59.565 28.158-122.668 1.00 0.58 C ATOM 1177 C ALA A 86 60.957 27.832-122.115 1.00 0.59 C ATOM 1178 O ALA A 86 61.147 26.865-121.405 1.00 0.73 O ATOM 1179 CB ALA A 86 59.257 27.227-123.842 1.00 0.64 C ATOM 0 H ALA A 86 59.243 29.681-124.119 1.00 0.47 H new ATOM 0 HA ALA A 86 58.821 28.026-121.883 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.266 26.193-123.498 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.274 27.466-124.248 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.011 27.358-124.618 1.00 0.64 H new ATOM 1185 N LYS A 87 61.936 28.627-122.461 1.00 0.50 N ATOM 1186 CA LYS A 87 63.330 28.373-121.991 1.00 0.60 C ATOM 1187 C LYS A 87 63.523 28.928-120.586 1.00 0.58 C ATOM 1188 O LYS A 87 64.085 28.284-119.723 1.00 0.71 O ATOM 1189 CB LYS A 87 64.302 29.075-122.930 1.00 0.61 C ATOM 1190 CG LYS A 87 65.663 28.379-122.879 1.00 0.82 C ATOM 1191 CD LYS A 87 66.580 28.971-123.951 1.00 0.99 C ATOM 1192 CE LYS A 87 67.800 28.067-124.137 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.357 26.648-124.241 1.00 2.02 N ATOM 0 H LYS A 87 61.828 29.449-123.055 1.00 0.50 H new ATOM 0 HA LYS A 87 63.512 27.298-121.981 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.913 29.060-123.948 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.407 30.122-122.644 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.111 28.504-121.893 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.542 27.308-123.040 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.040 29.069-124.893 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.897 29.972-123.660 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.346 28.355-125.035 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.484 28.185-123.297 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.074 26.097-124.754 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.233 26.252-123.287 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 66.454 26.603-124.754 1.00 2.02 H new ATOM 1207 N TYR A 88 63.050 30.113-120.346 1.00 0.45 N ATOM 1208 CA TYR A 88 63.200 30.692-118.983 1.00 0.47 C ATOM 1209 C TYR A 88 62.088 30.118-118.116 1.00 0.54 C ATOM 1210 O TYR A 88 62.177 30.055-116.906 1.00 0.58 O ATOM 1211 CB TYR A 88 63.097 32.214-119.062 1.00 0.44 C ATOM 1212 CG TYR A 88 64.402 32.748-119.597 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.471 32.986-118.724 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.551 32.985-120.968 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.687 33.463-119.224 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.769 33.460-121.468 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.836 33.699-120.596 1.00 0.61 C ATOM 1218 OH TYR A 88 68.037 34.165-121.089 1.00 0.73 O ATOM 0 H TYR A 88 62.570 30.704-121.025 1.00 0.45 H new ATOM 0 HA TYR A 88 64.170 30.443-118.553 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.272 32.506-119.712 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.890 32.633-118.077 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.357 32.801-117.666 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.726 32.801-121.640 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.511 33.649-118.552 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.885 33.642-122.526 1.00 0.62 H new ATOM 0 HH TYR A 88 68.058 34.050-122.062 1.00 0.73 H new ATOM 1228 N GLY A 89 61.041 29.705-118.757 1.00 0.59 N ATOM 1229 CA GLY A 89 59.884 29.129-118.021 1.00 0.69 C ATOM 1230 C GLY A 89 59.122 30.261-117.337 1.00 0.77 C ATOM 1231 O GLY A 89 58.611 30.113-116.244 1.00 1.09 O ATOM 0 H GLY A 89 60.932 29.740-119.771 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.228 28.594-118.708 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.229 28.406-117.282 1.00 0.69 H new ATOM 1235 N LEU A 90 59.023 31.382-117.989 1.00 0.65 N ATOM 1236 CA LEU A 90 58.269 32.518-117.394 1.00 0.75 C ATOM 1237 C LEU A 90 56.894 32.555-118.057 1.00 0.80 C ATOM 1238 O LEU A 90 55.902 32.880-117.436 1.00 1.31 O ATOM 1239 CB LEU A 90 59.025 33.833-117.615 1.00 0.82 C ATOM 1240 CG LEU A 90 58.476 34.548-118.844 1.00 1.03 C ATOM 1241 CD1 LEU A 90 57.180 35.275-118.480 1.00 1.50 C ATOM 1242 CD2 LEU A 90 59.506 35.564-119.345 1.00 1.68 C ATOM 0 H LEU A 90 59.430 31.562-118.907 1.00 0.65 H new ATOM 0 HA LEU A 90 58.159 32.388-116.317 1.00 0.75 H new ATOM 0 HB2 LEU A 90 58.925 34.472-116.737 1.00 0.82 H new ATOM 0 HB3 LEU A 90 60.089 33.633-117.745 1.00 0.82 H new ATOM 0 HG LEU A 90 58.273 33.817-119.627 1.00 1.03 H new ATOM 0 HD11 LEU A 90 56.790 35.785-119.360 1.00 1.50 H new ATOM 0 HD12 LEU A 90 56.445 34.553-118.124 1.00 1.50 H new ATOM 0 HD13 LEU A 90 57.380 36.005-117.696 1.00 1.50 H new ATOM 0 HD21 LEU A 90 59.114 36.076-120.224 1.00 1.68 H new ATOM 0 HD22 LEU A 90 59.709 36.293-118.561 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.429 35.047-119.607 1.00 1.68 H new ATOM 1254 N ASP A 91 56.839 32.191-119.314 1.00 0.77 N ATOM 1255 CA ASP A 91 55.550 32.157-120.052 1.00 0.87 C ATOM 1256 C ASP A 91 54.429 32.493-119.081 1.00 1.30 C ATOM 1257 O ASP A 91 53.700 31.636-118.623 1.00 1.70 O ATOM 1258 CB ASP A 91 55.341 30.753-120.625 1.00 1.04 C ATOM 1259 CG ASP A 91 56.634 30.275-121.289 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.693 30.623-120.795 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.541 29.569-122.280 1.00 0.84 O ATOM 0 H ASP A 91 57.651 31.912-119.865 1.00 0.77 H new ATOM 0 HA ASP A 91 55.557 32.879-120.868 1.00 0.87 H new ATOM 0 HB2 ASP A 91 55.051 30.064-119.831 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.529 30.762-121.352 1.00 1.04 H new ATOM 1266 N GLY A 92 54.298 33.743-118.765 1.00 1.77 N ATOM 1267 CA GLY A 92 53.230 34.170-117.815 1.00 2.22 C ATOM 1268 C GLY A 92 51.857 33.940-118.446 1.00 2.72 C ATOM 1269 O GLY A 92 51.056 33.175-117.950 1.00 3.30 O ATOM 0 H GLY A 92 54.885 34.497-119.123 1.00 1.77 H new ATOM 0 HA2 GLY A 92 53.312 33.608-116.884 1.00 2.22 H new ATOM 0 HA3 GLY A 92 53.353 35.223-117.564 1.00 2.22 H new ATOM 1273 N LYS A 93 51.578 34.600-119.538 1.00 3.13 N ATOM 1274 CA LYS A 93 50.254 34.418-120.196 1.00 3.96 C ATOM 1275 C LYS A 93 49.881 32.935-120.197 1.00 4.22 C ATOM 1276 O LYS A 93 50.682 32.081-119.870 1.00 4.63 O ATOM 1277 CB LYS A 93 50.329 34.925-121.639 1.00 4.60 C ATOM 1278 CG LYS A 93 51.298 36.105-121.716 1.00 4.79 C ATOM 1279 CD LYS A 93 52.736 35.583-121.767 1.00 5.91 C ATOM 1280 CE LYS A 93 53.287 35.742-123.185 1.00 6.60 C ATOM 1281 NZ LYS A 93 52.255 35.311-124.171 1.00 6.86 N ATOM 0 H LYS A 93 52.208 35.255-120.001 1.00 3.13 H new ATOM 0 HA LYS A 93 49.498 34.981-119.649 1.00 3.96 H new ATOM 0 HB2 LYS A 93 50.661 34.124-122.300 1.00 4.60 H new ATOM 0 HB3 LYS A 93 49.340 35.230-121.980 1.00 4.60 H new ATOM 0 HG2 LYS A 93 51.086 36.706-122.601 1.00 4.79 H new ATOM 0 HG3 LYS A 93 51.166 36.754-120.851 1.00 4.79 H new ATOM 0 HD2 LYS A 93 53.358 36.132-121.060 1.00 5.91 H new ATOM 0 HD3 LYS A 93 52.764 34.535-121.470 1.00 5.91 H new ATOM 0 HE2 LYS A 93 53.565 36.781-123.364 1.00 6.60 H new ATOM 0 HE3 LYS A 93 54.191 35.145-123.304 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 52.702 35.159-125.097 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 51.816 34.425-123.849 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 51.526 36.048-124.255 1.00 6.86 H new ATOM 1295 N LYS A 94 48.669 32.622-120.563 1.00 4.52 N ATOM 1296 CA LYS A 94 48.244 31.194-120.588 1.00 5.25 C ATOM 1297 C LYS A 94 49.289 30.370-121.345 1.00 5.64 C ATOM 1298 O LYS A 94 49.517 30.571-122.521 1.00 6.30 O ATOM 1299 CB LYS A 94 46.891 31.076-121.291 1.00 6.00 C ATOM 1300 CG LYS A 94 45.906 32.071-120.671 1.00 6.18 C ATOM 1301 CD LYS A 94 45.096 32.745-121.780 1.00 7.02 C ATOM 1302 CE LYS A 94 44.219 31.703-122.476 1.00 7.55 C ATOM 1303 NZ LYS A 94 43.036 32.376-123.084 1.00 7.75 N ATOM 0 H LYS A 94 47.955 33.293-120.846 1.00 4.52 H new ATOM 0 HA LYS A 94 48.154 30.821-119.568 1.00 5.25 H new ATOM 0 HB2 LYS A 94 47.004 31.276-122.357 1.00 6.00 H new ATOM 0 HB3 LYS A 94 46.507 30.060-121.196 1.00 6.00 H new ATOM 0 HG2 LYS A 94 45.238 31.556-119.980 1.00 6.18 H new ATOM 0 HG3 LYS A 94 46.446 32.821-120.093 1.00 6.18 H new ATOM 0 HD2 LYS A 94 44.475 33.537-121.361 1.00 7.02 H new ATOM 0 HD3 LYS A 94 45.766 33.213-122.502 1.00 7.02 H new ATOM 0 HE2 LYS A 94 44.792 31.185-123.246 1.00 7.55 H new ATOM 0 HE3 LYS A 94 43.893 30.949-121.759 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 42.439 31.668-123.557 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 42.486 32.851-122.340 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 43.356 33.080-123.780 1.00 7.75 H new ATOM 1317 N ASP A 95 49.928 29.448-120.679 1.00 5.55 N ATOM 1318 CA ASP A 95 50.959 28.615-121.361 1.00 6.18 C ATOM 1319 C ASP A 95 50.286 27.722-122.405 1.00 6.72 C ATOM 1320 O ASP A 95 50.547 27.826-123.587 1.00 7.02 O ATOM 1321 CB ASP A 95 51.676 27.743-120.328 1.00 6.12 C ATOM 1322 CG ASP A 95 52.865 27.044-120.988 1.00 6.05 C ATOM 1323 OD1 ASP A 95 53.903 27.673-121.112 1.00 6.22 O ATOM 1324 OD2 ASP A 95 52.719 25.891-121.358 1.00 6.23 O ATOM 0 H ASP A 95 49.781 29.235-119.692 1.00 5.55 H new ATOM 0 HA ASP A 95 51.683 29.265-121.853 1.00 6.18 H new ATOM 0 HB2 ASP A 95 52.018 28.356-119.494 1.00 6.12 H new ATOM 0 HB3 ASP A 95 50.987 27.004-119.919 1.00 6.12 H new ATOM 1329 N ALA A 96 49.423 26.842-121.978 1.00 7.12 N ATOM 1330 CA ALA A 96 48.735 25.941-122.945 1.00 7.86 C ATOM 1331 C ALA A 96 47.333 25.612-122.430 1.00 8.30 C ATOM 1332 O ALA A 96 47.132 25.378-121.255 1.00 8.93 O ATOM 1333 CB ALA A 96 49.540 24.648-123.098 1.00 8.22 C ATOM 0 H ALA A 96 49.164 26.708-121.001 1.00 7.12 H new ATOM 0 HA ALA A 96 48.658 26.438-123.912 1.00 7.86 H new ATOM 0 HB1 ALA A 96 49.038 23.988-123.805 1.00 8.22 H new ATOM 0 HB2 ALA A 96 50.538 24.883-123.467 1.00 8.22 H new ATOM 0 HB3 ALA A 96 49.618 24.151-122.131 1.00 8.22 H new ATOM 1339 N ARG A 97 46.362 25.591-123.301 1.00 8.23 N ATOM 1340 CA ARG A 97 44.974 25.275-122.863 1.00 8.95 C ATOM 1341 C ARG A 97 44.146 24.834-124.070 1.00 9.53 C ATOM 1342 O ARG A 97 44.431 25.194-125.195 1.00 9.76 O ATOM 1343 CB ARG A 97 44.342 26.519-122.236 1.00 8.85 C ATOM 1344 CG ARG A 97 42.882 26.226-121.883 1.00 8.58 C ATOM 1345 CD ARG A 97 42.224 27.493-121.333 1.00 8.65 C ATOM 1346 NE ARG A 97 40.809 27.200-120.970 1.00 9.34 N ATOM 1347 CZ ARG A 97 40.144 28.031-120.215 1.00 9.46 C ATOM 1348 NH1 ARG A 97 40.718 29.119-119.779 1.00 9.01 N ATOM 1349 NH2 ARG A 97 38.904 27.776-119.897 1.00 10.30 N ATOM 0 H ARG A 97 46.470 25.779-124.298 1.00 8.23 H new ATOM 0 HA ARG A 97 44.999 24.471-122.128 1.00 8.95 H new ATOM 0 HB2 ARG A 97 44.893 26.808-121.341 1.00 8.85 H new ATOM 0 HB3 ARG A 97 44.398 27.358-122.930 1.00 8.85 H new ATOM 0 HG2 ARG A 97 42.346 25.880-122.767 1.00 8.58 H new ATOM 0 HG3 ARG A 97 42.829 25.426-121.144 1.00 8.58 H new ATOM 0 HD2 ARG A 97 42.769 27.848-120.458 1.00 8.65 H new ATOM 0 HD3 ARG A 97 42.263 28.288-122.077 1.00 8.65 H new ATOM 0 HE ARG A 97 40.360 26.350-121.312 1.00 9.34 H new ATOM 0 HH11 ARG A 97 41.686 29.320-120.028 1.00 9.01 H new ATOM 0 HH12 ARG A 97 40.198 29.769-119.189 1.00 9.01 H new ATOM 0 HH21 ARG A 97 38.454 26.927-120.239 1.00 10.30 H new ATOM 0 HH22 ARG A 97 38.385 28.426-119.307 1.00 10.30 H new ATOM 1363 N GLN A 98 43.122 24.057-123.848 1.00 9.97 N ATOM 1364 CA GLN A 98 42.276 23.594-124.984 1.00 10.76 C ATOM 1365 C GLN A 98 40.860 23.309-124.482 1.00 10.99 C ATOM 1366 O GLN A 98 40.590 23.602-123.329 1.00 11.00 O ATOM 1367 CB GLN A 98 42.876 22.318-125.578 1.00 11.07 C ATOM 1368 CG GLN A 98 43.355 21.404-124.448 1.00 11.38 C ATOM 1369 CD GLN A 98 44.610 22.000-123.809 1.00 11.58 C ATOM 1370 OE1 GLN A 98 45.581 22.272-124.487 1.00 11.67 O ATOM 1371 NE2 GLN A 98 44.633 22.215-122.522 1.00 11.85 N ATOM 0 H GLN A 98 42.834 23.722-122.928 1.00 9.97 H new ATOM 0 HA GLN A 98 42.239 24.368-125.750 1.00 10.76 H new ATOM 0 HB2 GLN A 98 42.132 21.803-126.186 1.00 11.07 H new ATOM 0 HB3 GLN A 98 43.709 22.567-126.236 1.00 11.07 H new ATOM 0 HG2 GLN A 98 42.571 21.292-123.699 1.00 11.38 H new ATOM 0 HG3 GLN A 98 43.569 20.409-124.837 1.00 11.38 H new ATOM 0 HE21 GLN A 98 43.818 21.987-121.952 1.00 11.85 H new ATOM 0 HE22 GLN A 98 45.466 22.611-122.086 1.00 11.85 H new TER 1380 GLN A 98