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 22 MET CE :methyl 155:sc= -5.31! (180deg=-0.923) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 133:sc= -8.81! (180deg=-3.12!) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= -3.33! (180deg=-3.77!) USER MOD Single : A 26 ASN : amide:sc= -4.85! C(o=-4.8!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= -1.39 (180deg=-2.14) USER MOD Single : A 33 GLN : amide:sc= -1.97 K(o=-2,f=-0.53) USER MOD Single : A 36 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-0.49) USER MOD Single : A 46 HIS : no HD1:sc= -3.63 K(o=-3.6,f=-0.62) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -13! C(o=-13!,f=-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+ -129:sc= -0.267 (180deg=-3.01!) USER MOD Single : A 80 ASN : amide:sc= -6.23! C(o=-6.2!,f=-10!) USER MOD Single : A 82 ASN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -2:sc= -10.5! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.477 49.892-123.455 1.00 0.57 N ATOM 24 CA GLU A 19 64.581 48.981-123.866 1.00 0.55 C ATOM 25 C GLU A 19 64.487 48.720-125.372 1.00 0.56 C ATOM 26 O GLU A 19 65.440 48.893-126.105 1.00 0.63 O ATOM 27 CB GLU A 19 64.468 47.657-123.098 1.00 0.45 C ATOM 28 CG GLU A 19 63.014 47.177-123.092 1.00 0.38 C ATOM 29 CD GLU A 19 62.145 48.174-122.323 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.698 48.935-121.546 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.941 48.158-122.522 1.00 2.06 O ATOM 0 HA GLU A 19 65.542 49.443-123.639 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.106 46.904-123.560 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.820 47.789-122.075 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.650 47.076-124.114 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.948 46.191-122.631 1.00 0.38 H new ATOM 38 N PHE A 20 63.339 48.318-125.836 1.00 0.51 N ATOM 39 CA PHE A 20 63.165 48.054-127.293 1.00 0.54 C ATOM 40 C PHE A 20 62.075 48.982-127.812 1.00 0.55 C ATOM 41 O PHE A 20 61.653 49.889-127.121 1.00 0.57 O ATOM 42 CB PHE A 20 62.735 46.603-127.502 1.00 0.52 C ATOM 43 CG PHE A 20 63.606 45.707-126.662 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.930 45.459-127.035 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.084 45.137-125.501 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.735 44.631-126.240 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.885 44.312-124.704 1.00 0.51 C ATOM 48 CZ PHE A 20 65.211 44.058-125.072 1.00 0.56 C ATOM 0 H PHE A 20 62.508 48.159-125.267 1.00 0.51 H new ATOM 0 HA PHE A 20 64.101 48.228-127.824 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.688 46.477-127.225 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.821 46.333-128.554 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.332 45.904-127.933 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.061 45.333-125.217 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.758 44.435-126.527 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.480 43.871-123.805 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.830 43.421-124.457 1.00 0.56 H new ATOM 58 N ARG A 21 61.596 48.780-129.006 1.00 0.57 N ATOM 59 CA ARG A 21 60.523 49.666-129.528 1.00 0.60 C ATOM 60 C ARG A 21 59.356 48.780-129.951 1.00 0.57 C ATOM 61 O ARG A 21 58.410 49.217-130.574 1.00 0.59 O ATOM 62 CB ARG A 21 61.042 50.419-130.745 1.00 0.69 C ATOM 63 CG ARG A 21 62.304 51.198-130.368 1.00 0.74 C ATOM 64 CD ARG A 21 62.898 51.843-131.622 1.00 0.82 C ATOM 65 NE ARG A 21 61.836 52.607-132.337 1.00 1.35 N ATOM 66 CZ ARG A 21 62.163 53.472-133.259 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.419 53.667-133.554 1.00 2.06 N ATOM 68 NH2 ARG A 21 61.234 54.141-133.884 1.00 2.72 N ATOM 0 H ARG A 21 61.900 48.042-129.641 1.00 0.57 H new ATOM 0 HA ARG A 21 60.211 50.382-128.767 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.262 49.719-131.551 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.278 51.102-131.115 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.065 51.964-129.630 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.033 50.530-129.909 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.718 52.507-131.349 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.313 51.077-132.277 1.00 0.82 H new ATOM 0 HE ARG A 21 60.854 52.454-132.106 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.145 53.144-133.064 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.675 54.343-134.274 1.00 2.06 H new ATOM 0 HH21 ARG A 21 60.252 53.988-133.653 1.00 2.72 H new ATOM 0 HH22 ARG A 21 61.489 54.817-134.604 1.00 2.72 H new ATOM 82 N MET A 22 59.431 47.532-129.596 1.00 0.54 N ATOM 83 CA MET A 22 58.345 46.577-129.941 1.00 0.55 C ATOM 84 C MET A 22 57.506 46.320-128.693 1.00 0.49 C ATOM 85 O MET A 22 58.025 46.195-127.601 1.00 0.63 O ATOM 86 CB MET A 22 58.958 45.262-130.426 1.00 0.61 C ATOM 87 CG MET A 22 59.223 45.345-131.929 1.00 0.71 C ATOM 88 SD MET A 22 57.647 45.434-132.816 1.00 1.14 S ATOM 89 CE MET A 22 57.852 47.103-133.488 1.00 1.25 C ATOM 0 H MET A 22 60.208 47.127-129.075 1.00 0.54 H new ATOM 0 HA MET A 22 57.719 46.992-130.731 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.888 45.064-129.893 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.284 44.433-130.210 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.829 46.222-132.154 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.789 44.473-132.258 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.252 47.208-134.392 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.526 47.835-132.749 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.902 47.272-133.728 1.00 1.25 H new ATOM 99 N GLU A 23 56.215 46.253-128.835 1.00 0.47 N ATOM 100 CA GLU A 23 55.357 46.022-127.644 1.00 0.46 C ATOM 101 C GLU A 23 55.594 44.621-127.086 1.00 0.50 C ATOM 102 O GLU A 23 55.705 44.440-125.891 1.00 0.50 O ATOM 103 CB GLU A 23 53.885 46.180-128.030 1.00 0.50 C ATOM 104 CG GLU A 23 53.511 47.664-128.022 1.00 1.45 C ATOM 105 CD GLU A 23 53.590 48.203-126.593 1.00 2.02 C ATOM 106 OE1 GLU A 23 53.607 47.398-125.677 1.00 2.68 O ATOM 107 OE2 GLU A 23 53.631 49.413-126.438 1.00 2.48 O ATOM 0 H GLU A 23 55.718 46.348-129.721 1.00 0.47 H new ATOM 0 HA GLU A 23 55.612 46.755-126.879 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.710 45.755-129.018 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.254 45.631-127.331 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.185 48.223-128.671 1.00 1.45 H new ATOM 0 HG3 GLU A 23 52.504 47.798-128.417 1.00 1.45 H new ATOM 114 N LYS A 24 55.677 43.620-127.920 1.00 0.54 N ATOM 115 CA LYS A 24 55.908 42.250-127.393 1.00 0.59 C ATOM 116 C LYS A 24 57.148 42.250-126.506 1.00 0.53 C ATOM 117 O LYS A 24 57.112 41.814-125.371 1.00 0.55 O ATOM 118 CB LYS A 24 56.117 41.284-128.559 1.00 0.67 C ATOM 119 CG LYS A 24 57.147 41.873-129.522 1.00 0.64 C ATOM 120 CD LYS A 24 57.166 41.054-130.814 1.00 0.77 C ATOM 121 CE LYS A 24 56.194 41.669-131.824 1.00 1.46 C ATOM 122 NZ LYS A 24 54.954 42.101-131.118 1.00 2.09 N ATOM 0 H LYS A 24 55.595 43.693-128.934 1.00 0.54 H new ATOM 0 HA LYS A 24 55.043 41.934-126.810 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.459 40.317-128.189 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.174 41.112-129.077 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.902 42.912-129.741 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.135 41.868-129.062 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.174 41.034-131.229 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.886 40.021-130.606 1.00 0.77 H new ATOM 0 HE2 LYS A 24 56.659 42.521-132.320 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.950 40.943-132.599 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 54.247 42.409-131.816 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 54.573 41.305-130.567 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 55.176 42.890-130.478 1.00 2.09 H new ATOM 136 N LEU A 25 58.248 42.731-127.009 1.00 0.47 N ATOM 137 CA LEU A 25 59.497 42.759-126.201 1.00 0.42 C ATOM 138 C LEU A 25 59.291 43.600-124.945 1.00 0.39 C ATOM 139 O LEU A 25 59.493 43.147-123.845 1.00 0.55 O ATOM 140 CB LEU A 25 60.610 43.399-127.032 1.00 0.43 C ATOM 141 CG LEU A 25 61.242 42.367-127.961 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.258 42.917-129.391 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.677 42.099-127.504 1.00 1.03 C ATOM 0 H LEU A 25 58.336 43.109-127.952 1.00 0.47 H new ATOM 0 HA LEU A 25 59.761 41.740-125.919 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.206 44.225-127.617 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.370 43.817-126.372 1.00 0.43 H new ATOM 0 HG LEU A 25 60.667 41.441-127.933 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.709 42.183-130.058 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.237 43.122-129.714 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.839 43.839-129.420 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.137 41.362-128.162 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.250 43.026-127.540 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.668 41.718-126.483 1.00 1.03 H new ATOM 155 N ASN A 26 58.899 44.829-125.110 1.00 0.39 N ATOM 156 CA ASN A 26 58.696 45.688-123.910 1.00 0.37 C ATOM 157 C ASN A 26 57.820 44.916-122.926 1.00 0.40 C ATOM 158 O ASN A 26 58.183 44.679-121.791 1.00 0.40 O ATOM 159 CB ASN A 26 58.011 46.995-124.298 1.00 0.41 C ATOM 160 CG ASN A 26 58.687 47.571-125.542 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.509 46.921-126.156 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.378 48.774-125.941 1.00 0.45 N ATOM 0 H ASN A 26 58.712 45.273-126.009 1.00 0.39 H new ATOM 0 HA ASN A 26 59.658 45.933-123.459 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.953 46.820-124.493 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.070 47.708-123.475 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.827 49.168-126.768 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.688 49.321-125.426 1.00 0.45 H new ATOM 169 N GLN A 27 56.666 44.531-123.374 1.00 0.44 N ATOM 170 CA GLN A 27 55.735 43.773-122.501 1.00 0.50 C ATOM 171 C GLN A 27 56.501 42.646-121.807 1.00 0.47 C ATOM 172 O GLN A 27 56.467 42.511-120.597 1.00 0.48 O ATOM 173 CB GLN A 27 54.606 43.181-123.347 1.00 0.59 C ATOM 174 CG GLN A 27 53.483 44.208-123.491 1.00 0.58 C ATOM 175 CD GLN A 27 52.234 43.525-124.051 1.00 1.39 C ATOM 176 OE1 GLN A 27 51.758 43.877-125.111 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.679 42.555-123.376 1.00 2.02 N ATOM 0 H GLN A 27 56.322 44.710-124.318 1.00 0.44 H new ATOM 0 HA GLN A 27 55.310 44.441-121.752 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.983 42.899-124.330 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.225 42.273-122.880 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.261 44.658-122.523 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.797 45.015-124.153 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.079 42.259-122.486 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.845 42.093-123.739 1.00 2.02 H new ATOM 186 N LEU A 28 57.180 41.820-122.559 1.00 0.47 N ATOM 187 CA LEU A 28 57.927 40.686-121.942 1.00 0.47 C ATOM 188 C LEU A 28 59.001 41.201-120.984 1.00 0.39 C ATOM 189 O LEU A 28 59.129 40.722-119.874 1.00 0.50 O ATOM 190 CB LEU A 28 58.591 39.858-123.045 1.00 0.50 C ATOM 191 CG LEU A 28 57.529 39.029-123.769 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.998 38.732-125.194 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.313 37.711-123.020 1.00 1.21 C ATOM 0 H LEU A 28 57.249 41.882-123.575 1.00 0.47 H new ATOM 0 HA LEU A 28 57.224 40.071-121.381 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.099 40.514-123.751 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.349 39.203-122.616 1.00 0.50 H new ATOM 0 HG LEU A 28 56.593 39.587-123.802 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.241 38.141-125.710 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.154 39.669-125.729 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.934 38.174-125.160 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.556 37.119-123.535 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.249 37.154-122.987 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.980 37.921-122.004 1.00 1.21 H new ATOM 205 N TRP A 29 59.774 42.172-121.386 1.00 0.37 N ATOM 206 CA TRP A 29 60.830 42.716-120.495 1.00 0.30 C ATOM 207 C TRP A 29 60.187 43.131-119.177 1.00 0.36 C ATOM 208 O TRP A 29 60.504 42.615-118.118 1.00 0.39 O ATOM 209 CB TRP A 29 61.421 43.935-121.213 1.00 0.32 C ATOM 210 CG TRP A 29 62.580 44.510-120.474 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.746 45.826-120.245 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.741 43.844-119.898 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.925 46.020-119.562 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.576 44.830-119.320 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.151 42.499-119.815 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.768 44.498-118.685 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.352 42.164-119.174 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.158 43.162-118.611 1.00 0.41 C ATOM 0 H TRP A 29 59.716 42.614-122.303 1.00 0.37 H new ATOM 0 HA TRP A 29 61.610 41.985-120.283 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.737 43.647-122.216 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.650 44.697-121.328 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.063 46.605-120.549 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.274 46.933-119.271 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.537 41.722-120.247 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.387 45.270-118.252 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.658 41.130-119.114 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.082 42.896-118.119 1.00 0.41 H new ATOM 229 N GLU A 30 59.285 44.066-119.239 1.00 0.45 N ATOM 230 CA GLU A 30 58.615 44.522-117.999 1.00 0.56 C ATOM 231 C GLU A 30 58.234 43.281-117.193 1.00 0.50 C ATOM 232 O GLU A 30 58.440 43.210-115.996 1.00 0.52 O ATOM 233 CB GLU A 30 57.355 45.312-118.358 1.00 0.68 C ATOM 234 CG GLU A 30 57.719 46.781-118.580 1.00 0.86 C ATOM 235 CD GLU A 30 56.442 47.602-118.765 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.382 47.003-118.837 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.546 48.817-118.829 1.00 2.06 O ATOM 0 H GLU A 30 58.984 44.533-120.095 1.00 0.45 H new ATOM 0 HA GLU A 30 59.277 45.165-117.419 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.899 44.900-119.258 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.619 45.226-117.559 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.286 47.158-117.729 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.357 46.880-119.458 1.00 0.86 H new ATOM 244 N LYS A 31 57.685 42.295-117.849 1.00 0.46 N ATOM 245 CA LYS A 31 57.295 41.047-117.137 1.00 0.45 C ATOM 246 C LYS A 31 58.518 40.445-116.433 1.00 0.43 C ATOM 247 O LYS A 31 58.490 40.167-115.247 1.00 0.46 O ATOM 248 CB LYS A 31 56.745 40.039-118.149 1.00 0.44 C ATOM 249 CG LYS A 31 55.484 39.382-117.584 1.00 0.91 C ATOM 250 CD LYS A 31 54.880 38.451-118.637 1.00 0.99 C ATOM 251 CE LYS A 31 54.467 39.267-119.863 1.00 1.36 C ATOM 252 NZ LYS A 31 53.995 40.612-119.427 1.00 2.08 N ATOM 0 H LYS A 31 57.490 42.301-118.850 1.00 0.46 H new ATOM 0 HA LYS A 31 56.532 41.279-116.394 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.516 40.540-119.089 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.496 39.280-118.367 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.726 38.820-116.682 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.760 40.145-117.299 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.605 37.688-118.922 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.015 37.931-118.225 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.310 39.369-120.546 1.00 1.36 H new ATOM 0 HE3 LYS A 31 53.676 38.751-120.407 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.468 41.063-120.202 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.373 40.510-118.599 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 54.813 41.202-119.175 1.00 2.08 H new ATOM 266 N ALA A 32 59.593 40.229-117.147 1.00 0.41 N ATOM 267 CA ALA A 32 60.793 39.634-116.493 1.00 0.41 C ATOM 268 C ALA A 32 61.165 40.463-115.270 1.00 0.41 C ATOM 269 O ALA A 32 61.133 39.980-114.151 1.00 0.42 O ATOM 270 CB ALA A 32 61.976 39.609-117.461 1.00 0.42 C ATOM 0 H ALA A 32 59.690 40.436-118.141 1.00 0.41 H new ATOM 0 HA ALA A 32 60.558 38.612-116.196 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.842 39.171-116.965 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.718 39.012-118.336 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.212 40.626-117.773 1.00 0.42 H new ATOM 276 N GLN A 33 61.510 41.711-115.444 1.00 0.43 N ATOM 277 CA GLN A 33 61.864 42.520-114.252 1.00 0.47 C ATOM 278 C GLN A 33 60.804 42.274-113.188 1.00 0.49 C ATOM 279 O GLN A 33 61.090 42.223-112.008 1.00 0.53 O ATOM 280 CB GLN A 33 61.909 44.002-114.631 1.00 0.51 C ATOM 281 CG GLN A 33 63.079 44.248-115.592 1.00 0.53 C ATOM 282 CD GLN A 33 63.031 45.692-116.095 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.528 46.591-115.446 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.449 45.954-117.233 1.00 1.23 N ATOM 0 H GLN A 33 61.560 42.193-116.341 1.00 0.43 H new ATOM 0 HA GLN A 33 62.845 42.237-113.871 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.971 44.297-115.100 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.024 44.614-113.736 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.025 44.059-115.085 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.024 43.557-116.433 1.00 0.53 H new ATOM 0 HE21 GLN A 33 62.032 45.200-117.778 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.411 46.913-117.578 1.00 1.23 H new ATOM 293 N ARG A 34 59.578 42.097-113.599 1.00 0.49 N ATOM 294 CA ARG A 34 58.499 41.827-112.616 1.00 0.52 C ATOM 295 C ARG A 34 58.841 40.549-111.862 1.00 0.52 C ATOM 296 O ARG A 34 58.662 40.454-110.665 1.00 0.55 O ATOM 297 CB ARG A 34 57.171 41.650-113.346 1.00 0.56 C ATOM 298 CG ARG A 34 56.108 42.540-112.699 1.00 0.67 C ATOM 299 CD ARG A 34 56.045 42.252-111.198 1.00 1.59 C ATOM 300 NE ARG A 34 54.621 42.216-110.759 1.00 1.96 N ATOM 301 CZ ARG A 34 54.309 41.698-109.602 1.00 2.81 C ATOM 302 NH1 ARG A 34 55.243 41.211-108.832 1.00 3.42 N ATOM 303 NH2 ARG A 34 53.063 41.667-109.217 1.00 3.58 N ATOM 0 H ARG A 34 59.280 42.128-114.574 1.00 0.49 H new ATOM 0 HA ARG A 34 58.412 42.661-111.920 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.286 41.909-114.399 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.859 40.606-113.307 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.346 43.590-112.869 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.136 42.355-113.157 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.529 41.300-110.979 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.588 43.020-110.646 1.00 1.59 H new ATOM 0 HE ARG A 34 53.891 42.596-111.362 1.00 1.96 H new ATOM 0 HH11 ARG A 34 56.217 41.235-109.134 1.00 3.42 H new ATOM 0 HH12 ARG A 34 54.999 40.806-107.928 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.333 42.047-109.820 1.00 3.58 H new ATOM 0 HH22 ARG A 34 52.818 41.262-108.313 1.00 3.58 H new ATOM 317 N LEU A 35 59.379 39.580-112.547 1.00 0.50 N ATOM 318 CA LEU A 35 59.781 38.334-111.846 1.00 0.54 C ATOM 319 C LEU A 35 61.054 38.657-111.079 1.00 0.55 C ATOM 320 O LEU A 35 61.499 37.917-110.224 1.00 0.61 O ATOM 321 CB LEU A 35 60.049 37.213-112.855 1.00 0.57 C ATOM 322 CG LEU A 35 58.765 36.874-113.621 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.893 35.478-114.233 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.566 36.897-112.669 1.00 0.84 C ATOM 0 H LEU A 35 59.556 39.597-113.551 1.00 0.50 H new ATOM 0 HA LEU A 35 58.990 37.993-111.178 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.828 37.520-113.553 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.417 36.327-112.337 1.00 0.57 H new ATOM 0 HG LEU A 35 58.614 37.612-114.408 1.00 0.68 H new ATOM 0 HD11 LEU A 35 57.981 35.235-114.778 1.00 1.20 H new ATOM 0 HD12 LEU A 35 59.741 35.457-114.917 1.00 1.20 H new ATOM 0 HD13 LEU A 35 59.048 34.746-113.440 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.658 36.655-113.221 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.716 36.163-111.878 1.00 0.84 H new ATOM 0 HD23 LEU A 35 57.470 37.890-112.229 1.00 0.84 H new ATOM 336 N HIS A 36 61.626 39.789-111.383 1.00 0.53 N ATOM 337 CA HIS A 36 62.870 40.231-110.684 1.00 0.58 C ATOM 338 C HIS A 36 64.013 39.237-110.912 1.00 0.49 C ATOM 339 O HIS A 36 64.505 38.615-109.991 1.00 1.37 O ATOM 340 CB HIS A 36 62.596 40.356-109.184 1.00 0.98 C ATOM 341 CG HIS A 36 62.061 41.730-108.883 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.718 42.610-108.039 1.00 1.89 N ATOM 343 CD2 HIS A 36 60.932 42.388-109.306 1.00 1.60 C ATOM 344 CE1 HIS A 36 61.987 43.739-107.981 1.00 2.32 C ATOM 345 NE2 HIS A 36 60.888 43.656-108.735 1.00 2.17 N ATOM 0 H HIS A 36 61.282 40.435-112.093 1.00 0.53 H new ATOM 0 HA HIS A 36 63.167 41.197-111.091 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.878 39.598-108.871 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.512 40.180-108.620 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.191 41.983-109.979 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.256 44.606-107.396 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.170 44.369-108.865 1.00 2.17 H new ATOM 353 N LEU A 37 64.424 39.077-112.136 1.00 0.59 N ATOM 354 CA LEU A 37 65.523 38.108-112.410 1.00 0.43 C ATOM 355 C LEU A 37 66.856 38.834-112.206 1.00 0.44 C ATOM 356 O LEU A 37 67.076 39.893-112.760 1.00 0.42 O ATOM 357 CB LEU A 37 65.473 37.615-113.858 1.00 0.53 C ATOM 358 CG LEU A 37 64.047 37.243-114.252 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.385 38.440-114.935 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.093 36.068-115.231 1.00 0.82 C ATOM 0 H LEU A 37 64.054 39.567-112.951 1.00 0.59 H new ATOM 0 HA LEU A 37 65.416 37.255-111.740 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.849 38.391-114.525 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.126 36.750-113.976 1.00 0.53 H new ATOM 0 HG LEU A 37 63.477 36.966-113.365 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.365 38.179-115.219 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.365 39.286-114.248 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.952 38.710-115.826 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.078 35.794-115.519 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.657 36.356-116.118 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.577 35.216-114.754 1.00 0.82 H new ATOM 372 N PRO A 38 67.742 38.281-111.411 1.00 0.57 N ATOM 373 CA PRO A 38 69.053 38.929-111.156 1.00 0.66 C ATOM 374 C PRO A 38 69.683 39.419-112.451 1.00 0.58 C ATOM 375 O PRO A 38 69.376 38.925-113.506 1.00 0.52 O ATOM 376 CB PRO A 38 69.868 37.786-110.551 1.00 0.81 C ATOM 377 CG PRO A 38 68.896 36.673-110.134 1.00 0.82 C ATOM 378 CD PRO A 38 67.513 36.981-110.728 1.00 0.69 C ATOM 0 HA PRO A 38 68.988 39.809-110.516 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.590 37.409-111.275 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.435 38.138-109.689 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.253 35.706-110.489 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.836 36.611-109.047 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.188 36.208-111.424 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.747 37.057-109.956 1.00 0.69 H new ATOM 386 N PRO A 39 70.556 40.377-112.379 1.00 0.62 N ATOM 387 CA PRO A 39 71.209 40.897-113.602 1.00 0.60 C ATOM 388 C PRO A 39 71.756 39.759-114.464 1.00 0.53 C ATOM 389 O PRO A 39 71.527 39.696-115.642 1.00 0.51 O ATOM 390 CB PRO A 39 72.336 41.758-113.031 1.00 0.74 C ATOM 391 CG PRO A 39 72.139 41.882-111.512 1.00 0.81 C ATOM 392 CD PRO A 39 70.959 40.999-111.094 1.00 0.74 C ATOM 0 HA PRO A 39 70.534 41.447-114.258 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.304 41.308-113.251 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.330 42.744-113.495 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.044 41.576-110.988 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.949 42.920-111.239 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.252 40.253-110.356 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.151 41.583-110.654 1.00 0.74 H new ATOM 400 N VAL A 40 72.513 38.890-113.871 1.00 0.52 N ATOM 401 CA VAL A 40 73.130 37.762-114.626 1.00 0.47 C ATOM 402 C VAL A 40 72.065 37.002-115.416 1.00 0.41 C ATOM 403 O VAL A 40 72.148 36.849-116.629 1.00 0.37 O ATOM 404 CB VAL A 40 73.805 36.814-113.628 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.781 35.824-113.071 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.928 36.048-114.331 1.00 0.50 C ATOM 0 H VAL A 40 72.738 38.909-112.876 1.00 0.52 H new ATOM 0 HA VAL A 40 73.865 38.156-115.328 1.00 0.47 H new ATOM 0 HB VAL A 40 74.219 37.397-112.806 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.270 35.155-112.363 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.985 36.370-112.564 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.357 35.241-113.888 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.408 35.374-113.622 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.513 35.470-115.157 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.664 36.754-114.716 1.00 0.50 H new ATOM 416 N ARG A 41 71.052 36.544-114.751 1.00 0.42 N ATOM 417 CA ARG A 41 69.976 35.803-115.459 1.00 0.40 C ATOM 418 C ARG A 41 69.162 36.798-116.266 1.00 0.34 C ATOM 419 O ARG A 41 68.497 36.451-117.227 1.00 0.30 O ATOM 420 CB ARG A 41 69.072 35.108-114.439 1.00 0.46 C ATOM 421 CG ARG A 41 69.565 33.678-114.209 1.00 0.87 C ATOM 422 CD ARG A 41 68.509 32.898-113.424 1.00 1.00 C ATOM 423 NE ARG A 41 69.157 32.170-112.293 1.00 1.53 N ATOM 424 CZ ARG A 41 70.308 31.570-112.460 1.00 2.18 C ATOM 425 NH1 ARG A 41 70.872 31.545-113.636 1.00 2.54 N ATOM 426 NH2 ARG A 41 70.883 30.978-111.449 1.00 3.12 N ATOM 0 H ARG A 41 70.919 36.649-113.745 1.00 0.42 H new ATOM 0 HA ARG A 41 70.410 35.050-116.117 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.075 35.660-113.499 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.043 35.096-114.798 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.758 33.190-115.164 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.507 33.690-113.661 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.749 33.580-113.042 1.00 1.00 H new ATOM 0 HD3 ARG A 41 68.002 32.191-114.081 1.00 1.00 H new ATOM 0 HE ARG A 41 68.699 32.140-111.382 1.00 1.53 H new ATOM 0 HH11 ARG A 41 70.416 31.994-114.430 1.00 2.54 H new ATOM 0 HH12 ARG A 41 71.769 31.076-113.761 1.00 2.54 H new ATOM 0 HH21 ARG A 41 70.435 30.984-110.533 1.00 3.12 H new ATOM 0 HH22 ARG A 41 71.780 30.509-111.575 1.00 3.12 H new ATOM 440 N LEU A 42 69.216 38.043-115.890 1.00 0.35 N ATOM 441 CA LEU A 42 68.449 39.060-116.644 1.00 0.30 C ATOM 442 C LEU A 42 69.255 39.455-117.871 1.00 0.31 C ATOM 443 O LEU A 42 68.715 39.911-118.850 1.00 0.49 O ATOM 444 CB LEU A 42 68.156 40.279-115.771 1.00 0.32 C ATOM 445 CG LEU A 42 66.929 41.005-116.331 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.650 40.291-115.902 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.896 42.437-115.795 1.00 0.60 C ATOM 0 H LEU A 42 69.755 38.395-115.099 1.00 0.35 H new ATOM 0 HA LEU A 42 67.489 38.645-116.951 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.975 39.971-114.741 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.016 40.948-115.757 1.00 0.32 H new ATOM 0 HG LEU A 42 66.993 41.011-117.419 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.786 40.818-116.307 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.661 39.268-116.278 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.589 40.277-114.814 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.023 42.954-116.193 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.841 42.417-114.707 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.800 42.962-116.103 1.00 0.60 H new ATOM 459 N ALA A 43 70.541 39.235-117.853 1.00 0.30 N ATOM 460 CA ALA A 43 71.358 39.539-119.047 1.00 0.30 C ATOM 461 C ALA A 43 71.111 38.374-119.983 1.00 0.29 C ATOM 462 O ALA A 43 71.095 38.495-121.183 1.00 0.28 O ATOM 463 CB ALA A 43 72.839 39.610-118.665 1.00 0.36 C ATOM 0 H ALA A 43 71.056 38.857-117.058 1.00 0.30 H new ATOM 0 HA ALA A 43 71.099 40.496-119.500 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.433 39.834-119.551 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.986 40.394-117.922 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.154 38.653-118.250 1.00 0.36 H new ATOM 469 N GLU A 44 70.890 37.233-119.401 1.00 0.30 N ATOM 470 CA GLU A 44 70.594 36.052-120.245 1.00 0.32 C ATOM 471 C GLU A 44 69.274 36.347-120.971 1.00 0.30 C ATOM 472 O GLU A 44 69.226 36.442-122.181 1.00 0.34 O ATOM 473 CB GLU A 44 70.452 34.802-119.373 1.00 0.37 C ATOM 474 CG GLU A 44 70.377 33.562-120.267 1.00 1.15 C ATOM 475 CD GLU A 44 71.788 33.031-120.524 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.596 33.087-119.611 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.038 32.577-121.628 1.00 2.80 O ATOM 0 H GLU A 44 70.901 37.069-118.394 1.00 0.30 H new ATOM 0 HA GLU A 44 71.398 35.867-120.957 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.300 34.722-118.693 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.555 34.875-118.758 1.00 0.37 H new ATOM 0 HG2 GLU A 44 69.769 32.793-119.790 1.00 1.15 H new ATOM 0 HG3 GLU A 44 69.893 33.811-121.212 1.00 1.15 H new ATOM 484 N LEU A 45 68.201 36.483-120.236 1.00 0.28 N ATOM 485 CA LEU A 45 66.871 36.761-120.875 1.00 0.29 C ATOM 486 C LEU A 45 66.856 38.146-121.542 1.00 0.24 C ATOM 487 O LEU A 45 66.216 38.345-122.555 1.00 0.25 O ATOM 488 CB LEU A 45 65.773 36.713-119.808 1.00 0.34 C ATOM 489 CG LEU A 45 64.409 36.916-120.471 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.827 35.559-120.871 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.463 37.604-119.486 1.00 0.77 C ATOM 0 H LEU A 45 68.184 36.414-119.218 1.00 0.28 H new ATOM 0 HA LEU A 45 66.695 36.003-121.638 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.798 35.755-119.288 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.944 37.487-119.059 1.00 0.34 H new ATOM 0 HG LEU A 45 64.526 37.536-121.359 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.855 35.705-121.343 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.501 35.066-121.572 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.709 34.938-119.983 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.491 37.750-119.957 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.347 36.982-118.598 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.876 38.571-119.200 1.00 0.77 H new ATOM 503 N HIS A 46 67.567 39.096-121.002 1.00 0.21 N ATOM 504 CA HIS A 46 67.594 40.450-121.637 1.00 0.20 C ATOM 505 C HIS A 46 68.438 40.369-122.910 1.00 0.19 C ATOM 506 O HIS A 46 68.033 40.796-123.973 1.00 0.21 O ATOM 507 CB HIS A 46 68.213 41.473-120.680 1.00 0.23 C ATOM 508 CG HIS A 46 68.161 42.839-121.309 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.278 43.433-121.878 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.137 43.741-121.464 1.00 0.27 C ATOM 511 CE1 HIS A 46 68.902 44.638-122.345 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.608 44.876-122.119 1.00 0.31 N ATOM 0 H HIS A 46 68.127 38.999-120.155 1.00 0.21 H new ATOM 0 HA HIS A 46 66.577 40.765-121.872 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.673 41.475-119.733 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.245 41.202-120.458 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.121 43.593-121.129 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.567 45.329-122.842 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.078 45.710-122.372 1.00 0.31 H new ATOM 520 N ALA A 47 69.608 39.810-122.799 1.00 0.19 N ATOM 521 CA ALA A 47 70.506 39.669-123.979 1.00 0.22 C ATOM 522 C ALA A 47 69.773 38.910-125.076 1.00 0.21 C ATOM 523 O ALA A 47 69.584 39.401-126.171 1.00 0.22 O ATOM 524 CB ALA A 47 71.754 38.882-123.569 1.00 0.27 C ATOM 0 H ALA A 47 69.987 39.439-121.928 1.00 0.19 H new ATOM 0 HA ALA A 47 70.795 40.655-124.343 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.416 38.775-124.429 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.275 39.415-122.774 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.461 37.895-123.212 1.00 0.27 H new ATOM 530 N ASP A 48 69.344 37.716-124.786 1.00 0.22 N ATOM 531 CA ASP A 48 68.607 36.928-125.808 1.00 0.25 C ATOM 532 C ASP A 48 67.433 37.768-126.298 1.00 0.22 C ATOM 533 O ASP A 48 67.238 37.957-127.481 1.00 0.25 O ATOM 534 CB ASP A 48 68.090 35.628-125.188 1.00 0.28 C ATOM 535 CG ASP A 48 69.273 34.726-124.829 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.373 35.027-125.263 1.00 0.84 O ATOM 537 OD2 ASP A 48 69.058 33.752-124.128 1.00 0.94 O ATOM 0 H ASP A 48 69.472 37.252-123.887 1.00 0.22 H new ATOM 0 HA ASP A 48 69.266 36.678-126.639 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.502 35.847-124.296 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.429 35.117-125.888 1.00 0.28 H new ATOM 542 N LEU A 49 66.656 38.286-125.388 1.00 0.19 N ATOM 543 CA LEU A 49 65.505 39.129-125.803 1.00 0.19 C ATOM 544 C LEU A 49 66.014 40.194-126.772 1.00 0.18 C ATOM 545 O LEU A 49 65.368 40.516-127.748 1.00 0.19 O ATOM 546 CB LEU A 49 64.866 39.784-124.578 1.00 0.18 C ATOM 547 CG LEU A 49 63.852 38.816-123.961 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.174 39.480-122.762 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.791 38.449-125.003 1.00 0.89 C ATOM 0 H LEU A 49 66.768 38.162-124.382 1.00 0.19 H new ATOM 0 HA LEU A 49 64.748 38.516-126.292 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.632 40.041-123.847 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.373 40.713-124.863 1.00 0.18 H new ATOM 0 HG LEU A 49 64.369 37.914-123.635 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.453 38.790-122.324 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.926 39.740-122.017 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.659 40.383-123.089 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.071 37.760-124.562 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.276 39.352-125.331 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.271 37.974-125.859 1.00 0.89 H new ATOM 561 N LYS A 50 67.190 40.723-126.535 1.00 0.20 N ATOM 562 CA LYS A 50 67.740 41.735-127.479 1.00 0.21 C ATOM 563 C LYS A 50 68.006 41.021-128.801 1.00 0.23 C ATOM 564 O LYS A 50 67.497 41.386-129.839 1.00 0.24 O ATOM 565 CB LYS A 50 69.052 42.306-126.930 1.00 0.24 C ATOM 566 CG LYS A 50 68.793 42.996-125.589 1.00 0.36 C ATOM 567 CD LYS A 50 69.169 44.476-125.692 1.00 0.84 C ATOM 568 CE LYS A 50 70.682 44.632-125.529 1.00 1.09 C ATOM 569 NZ LYS A 50 71.144 45.824-126.296 1.00 1.84 N ATOM 0 H LYS A 50 67.784 40.499-125.737 1.00 0.20 H new ATOM 0 HA LYS A 50 67.038 42.558-127.613 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.783 41.507-126.804 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.476 43.017-127.640 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.743 42.895-125.314 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.376 42.516-124.803 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.853 44.876-126.656 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.649 45.048-124.924 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.935 44.744-124.475 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.191 43.737-125.886 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.173 45.931-126.186 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.915 45.699-127.303 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.667 46.675-125.935 1.00 1.84 H new ATOM 583 N ILE A 51 68.799 39.992-128.758 1.00 0.25 N ATOM 584 CA ILE A 51 69.082 39.252-130.014 1.00 0.27 C ATOM 585 C ILE A 51 67.743 39.114-130.738 1.00 0.26 C ATOM 586 O ILE A 51 67.557 39.610-131.843 1.00 0.25 O ATOM 587 CB ILE A 51 69.648 37.867-129.691 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.167 37.964-129.530 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.316 36.901-130.829 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.500 38.953-128.413 1.00 0.30 C ATOM 0 H ILE A 51 69.258 39.635-127.920 1.00 0.25 H new ATOM 0 HA ILE A 51 69.815 39.775-130.628 1.00 0.27 H new ATOM 0 HB ILE A 51 69.206 37.500-128.765 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.582 36.983-129.297 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.622 38.289-130.465 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.719 35.915-130.599 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.234 36.833-130.944 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.757 37.266-131.756 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.582 39.022-128.299 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.098 39.935-128.665 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.057 38.609-127.478 1.00 0.30 H new ATOM 602 N GLN A 52 66.787 38.483-130.112 1.00 0.26 N ATOM 603 CA GLN A 52 65.457 38.364-130.747 1.00 0.27 C ATOM 604 C GLN A 52 64.979 39.766-131.119 1.00 0.24 C ATOM 605 O GLN A 52 64.213 39.935-132.034 1.00 0.26 O ATOM 606 CB GLN A 52 64.473 37.727-129.763 1.00 0.32 C ATOM 607 CG GLN A 52 63.331 37.066-130.538 1.00 0.45 C ATOM 608 CD GLN A 52 63.869 35.863-131.314 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.998 34.784-130.771 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.193 36.003-132.571 1.00 0.48 N ATOM 0 H GLN A 52 66.875 38.049-129.193 1.00 0.26 H new ATOM 0 HA GLN A 52 65.518 37.738-131.638 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.985 36.987-129.148 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.077 38.485-129.087 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.547 36.748-129.850 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.881 37.783-131.224 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.085 36.909-133.028 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.554 35.207-133.096 1.00 0.48 H new ATOM 619 N GLU A 53 65.420 40.776-130.406 1.00 0.23 N ATOM 620 CA GLU A 53 64.979 42.163-130.740 1.00 0.23 C ATOM 621 C GLU A 53 65.629 42.593-132.053 1.00 0.20 C ATOM 622 O GLU A 53 65.025 43.265-132.858 1.00 0.21 O ATOM 623 CB GLU A 53 65.389 43.145-129.644 1.00 0.25 C ATOM 624 CG GLU A 53 65.076 44.572-130.105 1.00 0.28 C ATOM 625 CD GLU A 53 66.335 45.434-129.981 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.174 45.108-129.158 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.440 46.405-130.712 1.00 1.04 O ATOM 0 H GLU A 53 66.060 40.699-129.615 1.00 0.23 H new ATOM 0 HA GLU A 53 63.893 42.168-130.829 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.854 42.923-128.721 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.453 43.045-129.428 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.728 44.564-131.138 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.273 44.993-129.501 1.00 0.28 H new ATOM 634 N ARG A 54 66.853 42.215-132.285 1.00 0.22 N ATOM 635 CA ARG A 54 67.511 42.608-133.558 1.00 0.22 C ATOM 636 C ARG A 54 66.800 41.899-134.699 1.00 0.20 C ATOM 637 O ARG A 54 66.654 42.417-135.790 1.00 0.21 O ATOM 638 CB ARG A 54 68.969 42.161-133.527 1.00 0.24 C ATOM 639 CG ARG A 54 69.774 43.117-132.652 1.00 0.27 C ATOM 640 CD ARG A 54 70.616 44.039-133.537 1.00 0.85 C ATOM 641 NE ARG A 54 71.355 43.223-134.543 1.00 1.55 N ATOM 642 CZ ARG A 54 71.891 43.800-135.583 1.00 2.09 C ATOM 643 NH1 ARG A 54 71.781 45.092-135.743 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.538 43.087-136.464 1.00 3.03 N ATOM 0 H ARG A 54 67.423 41.654-131.652 1.00 0.22 H new ATOM 0 HA ARG A 54 67.463 43.689-133.691 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.041 41.146-133.137 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.377 42.144-134.538 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.103 43.708-132.029 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.420 42.553-131.979 1.00 0.27 H new ATOM 0 HD2 ARG A 54 69.975 44.763-134.040 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.318 44.606-132.926 1.00 0.85 H new ATOM 0 HE ARG A 54 71.441 42.214-134.418 1.00 1.55 H new ATOM 0 HH11 ARG A 54 71.276 45.650-135.055 1.00 2.40 H new ATOM 0 HH12 ARG A 54 72.200 45.543-136.556 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.625 42.078-136.340 1.00 3.03 H new ATOM 0 HH22 ARG A 54 72.957 43.538-137.277 1.00 3.03 H new ATOM 658 N ASP A 55 66.330 40.718-134.432 1.00 0.20 N ATOM 659 CA ASP A 55 65.596 39.953-135.482 1.00 0.21 C ATOM 660 C ASP A 55 64.131 40.408-135.514 1.00 0.21 C ATOM 661 O ASP A 55 63.514 40.494-136.562 1.00 0.20 O ATOM 662 CB ASP A 55 65.659 38.458-135.161 1.00 0.25 C ATOM 663 CG ASP A 55 67.117 37.995-135.173 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.979 38.822-135.419 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.347 36.820-134.938 1.00 0.84 O ATOM 0 H ASP A 55 66.420 40.245-133.533 1.00 0.20 H new ATOM 0 HA ASP A 55 66.055 40.136-136.454 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.213 38.266-134.185 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.081 37.893-135.892 1.00 0.25 H new ATOM 670 N GLU A 56 63.578 40.736-134.379 1.00 0.27 N ATOM 671 CA GLU A 56 62.170 41.206-134.344 1.00 0.32 C ATOM 672 C GLU A 56 62.122 42.587-134.964 1.00 0.30 C ATOM 673 O GLU A 56 61.345 42.851-135.854 1.00 0.31 O ATOM 674 CB GLU A 56 61.675 41.267-132.898 1.00 0.39 C ATOM 675 CG GLU A 56 61.116 39.903-132.489 1.00 0.44 C ATOM 676 CD GLU A 56 59.762 39.682-133.165 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.348 40.551-133.916 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.162 38.649-132.921 1.00 1.72 O ATOM 0 H GLU A 56 64.045 40.698-133.473 1.00 0.27 H new ATOM 0 HA GLU A 56 61.529 40.520-134.898 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.492 41.550-132.235 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.905 42.032-132.799 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.810 39.113-132.775 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.006 39.853-131.406 1.00 0.44 H new ATOM 685 N LEU A 57 62.976 43.465-134.534 1.00 0.30 N ATOM 686 CA LEU A 57 62.994 44.807-135.149 1.00 0.32 C ATOM 687 C LEU A 57 63.316 44.608-136.626 1.00 0.28 C ATOM 688 O LEU A 57 62.630 45.100-137.495 1.00 0.29 O ATOM 689 CB LEU A 57 64.062 45.682-134.489 1.00 0.36 C ATOM 690 CG LEU A 57 63.460 46.381-133.270 1.00 0.50 C ATOM 691 CD1 LEU A 57 62.632 45.380-132.464 1.00 1.08 C ATOM 692 CD2 LEU A 57 64.583 46.939-132.393 1.00 1.22 C ATOM 0 H LEU A 57 63.656 43.311-133.789 1.00 0.30 H new ATOM 0 HA LEU A 57 62.034 45.307-135.020 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.914 45.072-134.189 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.433 46.421-135.199 1.00 0.36 H new ATOM 0 HG LEU A 57 62.819 47.198-133.601 1.00 0.50 H new ATOM 0 HD11 LEU A 57 62.203 45.879-131.595 1.00 1.08 H new ATOM 0 HD12 LEU A 57 61.830 44.985-133.088 1.00 1.08 H new ATOM 0 HD13 LEU A 57 63.271 44.561-132.134 1.00 1.08 H new ATOM 0 HD21 LEU A 57 64.153 47.437-131.524 1.00 1.22 H new ATOM 0 HD22 LEU A 57 65.226 46.123-132.062 1.00 1.22 H new ATOM 0 HD23 LEU A 57 65.172 47.655-132.967 1.00 1.22 H new ATOM 704 N ALA A 58 64.335 43.840-136.923 1.00 0.25 N ATOM 705 CA ALA A 58 64.650 43.577-138.350 1.00 0.24 C ATOM 706 C ALA A 58 63.367 43.065-139.002 1.00 0.21 C ATOM 707 O ALA A 58 63.128 43.241-140.183 1.00 0.21 O ATOM 708 CB ALA A 58 65.747 42.516-138.454 1.00 0.24 C ATOM 0 H ALA A 58 64.952 43.392-136.245 1.00 0.25 H new ATOM 0 HA ALA A 58 65.005 44.481-138.845 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.973 42.328-139.504 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.645 42.870-137.947 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.406 41.593-137.985 1.00 0.24 H new ATOM 714 N TRP A 59 62.509 42.472-138.214 1.00 0.19 N ATOM 715 CA TRP A 59 61.225 42.000-138.785 1.00 0.18 C ATOM 716 C TRP A 59 60.305 43.202-138.982 1.00 0.20 C ATOM 717 O TRP A 59 59.853 43.471-140.079 1.00 0.30 O ATOM 718 CB TRP A 59 60.531 40.979-137.890 1.00 0.19 C ATOM 719 CG TRP A 59 59.317 40.518-138.624 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.299 39.543-139.561 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.954 41.020-138.528 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.017 39.422-140.057 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.147 40.307-139.444 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.347 42.014-137.740 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.783 40.574-139.576 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.975 42.283-137.869 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.195 41.564-138.786 1.00 0.39 C ATOM 0 H TRP A 59 62.642 42.299-137.218 1.00 0.19 H new ATOM 0 HA TRP A 59 61.441 41.509-139.734 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.193 40.141-137.674 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.258 41.425-136.934 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.150 38.955-139.871 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.744 38.762-140.785 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.940 42.574-137.031 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.187 40.018-140.285 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.518 43.048-137.259 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.140 41.776-138.881 1.00 0.39 H new ATOM 738 N LYS A 60 60.017 43.932-137.935 1.00 0.27 N ATOM 739 CA LYS A 60 59.124 45.105-138.110 1.00 0.30 C ATOM 740 C LYS A 60 59.561 45.803-139.393 1.00 0.29 C ATOM 741 O LYS A 60 58.756 46.298-140.162 1.00 0.31 O ATOM 742 CB LYS A 60 59.258 46.065-136.921 1.00 0.38 C ATOM 743 CG LYS A 60 60.438 47.012-137.149 1.00 0.42 C ATOM 744 CD LYS A 60 60.860 47.642-135.818 1.00 1.08 C ATOM 745 CE LYS A 60 60.061 48.926-135.586 1.00 1.53 C ATOM 746 NZ LYS A 60 58.603 48.619-135.633 1.00 2.27 N ATOM 0 H LYS A 60 60.356 43.768-136.987 1.00 0.27 H new ATOM 0 HA LYS A 60 58.082 44.791-138.165 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.339 46.638-136.799 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.406 45.500-136.001 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.275 46.467-137.586 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.160 47.791-137.859 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.688 46.941-135.001 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.927 47.862-135.830 1.00 1.08 H new ATOM 0 HE2 LYS A 60 60.321 49.360-134.620 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.312 49.666-136.346 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.128 49.066-134.823 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 58.199 48.987-136.518 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.464 47.589-135.591 1.00 2.27 H new ATOM 760 N LYS A 61 60.844 45.810-139.647 1.00 0.28 N ATOM 761 CA LYS A 61 61.352 46.439-140.889 1.00 0.30 C ATOM 762 C LYS A 61 61.106 45.490-142.061 1.00 0.27 C ATOM 763 O LYS A 61 60.900 45.924-143.176 1.00 0.35 O ATOM 764 CB LYS A 61 62.846 46.725-140.766 1.00 0.35 C ATOM 765 CG LYS A 61 63.133 47.392-139.419 1.00 0.40 C ATOM 766 CD LYS A 61 64.143 48.525-139.615 1.00 0.77 C ATOM 767 CE LYS A 61 63.415 49.780-140.097 1.00 1.42 C ATOM 768 NZ LYS A 61 64.244 50.470-141.126 1.00 2.43 N ATOM 0 H LYS A 61 61.559 45.405-139.043 1.00 0.28 H new ATOM 0 HA LYS A 61 60.830 47.381-141.056 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.412 45.797-140.852 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.171 47.373-141.580 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.210 47.783-138.991 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.525 46.659-138.714 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.662 48.730-138.679 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.900 48.230-140.341 1.00 0.77 H new ATOM 0 HE2 LYS A 61 62.445 49.513-140.516 1.00 1.42 H new ATOM 0 HE3 LYS A 61 63.227 50.449-139.258 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 63.750 51.324-141.455 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 65.160 50.738-140.712 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 64.402 49.830-141.931 1.00 2.43 H new ATOM 782 N LEU A 62 61.086 44.196-141.831 1.00 0.24 N ATOM 783 CA LEU A 62 60.804 43.263-142.959 1.00 0.24 C ATOM 784 C LEU A 62 59.372 43.500-143.415 1.00 0.24 C ATOM 785 O LEU A 62 59.113 43.893-144.535 1.00 0.26 O ATOM 786 CB LEU A 62 60.900 41.810-142.477 1.00 0.24 C ATOM 787 CG LEU A 62 62.338 41.297-142.580 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.603 40.299-141.451 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.529 40.586-143.922 1.00 0.41 C ATOM 0 H LEU A 62 61.250 43.756-140.925 1.00 0.24 H new ATOM 0 HA LEU A 62 61.521 43.435-143.761 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.558 41.741-141.444 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.241 41.180-143.074 1.00 0.24 H new ATOM 0 HG LEU A 62 63.028 42.137-142.503 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.627 39.932-141.522 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.460 40.791-140.489 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.911 39.461-141.536 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.553 40.220-143.997 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.837 39.746-143.991 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.333 41.285-144.735 1.00 0.41 H new ATOM 801 N LYS A 63 58.437 43.252-142.538 1.00 0.24 N ATOM 802 CA LYS A 63 57.012 43.449-142.895 1.00 0.26 C ATOM 803 C LYS A 63 56.805 44.887-143.363 1.00 0.29 C ATOM 804 O LYS A 63 56.010 45.147-144.244 1.00 0.30 O ATOM 805 CB LYS A 63 56.132 43.168-141.675 1.00 0.34 C ATOM 806 CG LYS A 63 56.621 43.993-140.483 1.00 0.46 C ATOM 807 CD LYS A 63 55.417 44.494-139.686 1.00 0.41 C ATOM 808 CE LYS A 63 54.898 45.794-140.305 1.00 0.58 C ATOM 809 NZ LYS A 63 53.415 45.722-140.440 1.00 1.20 N ATOM 0 H LYS A 63 58.604 42.921-141.588 1.00 0.24 H new ATOM 0 HA LYS A 63 56.737 42.763-143.697 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.094 43.415-141.899 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.161 42.106-141.431 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.266 43.387-139.847 1.00 0.46 H new ATOM 0 HG3 LYS A 63 57.218 44.836-140.830 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.630 43.740-139.684 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.700 44.662-138.647 1.00 0.41 H new ATOM 0 HE2 LYS A 63 55.176 46.643-139.681 1.00 0.58 H new ATOM 0 HE3 LYS A 63 55.356 45.953-141.281 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 53.061 46.605-140.861 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.161 44.921-141.052 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 52.987 45.590-139.501 1.00 1.20 H new ATOM 823 N LEU A 64 57.512 45.832-142.794 1.00 0.33 N ATOM 824 CA LEU A 64 57.349 47.248-143.225 1.00 0.43 C ATOM 825 C LEU A 64 57.872 47.427-144.648 1.00 0.52 C ATOM 826 O LEU A 64 57.203 47.973-145.503 1.00 0.75 O ATOM 827 CB LEU A 64 58.147 48.139-142.270 1.00 0.38 C ATOM 828 CG LEU A 64 57.274 48.520-141.074 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.100 49.332-140.075 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.089 49.361-141.556 1.00 1.23 C ATOM 0 H LEU A 64 58.194 45.681-142.050 1.00 0.33 H new ATOM 0 HA LEU A 64 56.294 47.521-143.205 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.040 47.616-141.929 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.482 49.037-142.789 1.00 0.38 H new ATOM 0 HG LEU A 64 56.907 47.615-140.590 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.477 49.603-139.223 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.945 48.735-139.731 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.468 50.237-140.558 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.466 49.633-140.704 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.458 50.266-142.040 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.499 48.784-142.268 1.00 1.23 H new ATOM 842 N ASP A 65 59.066 46.976-144.909 1.00 0.45 N ATOM 843 CA ASP A 65 59.637 47.124-146.277 1.00 0.60 C ATOM 844 C ASP A 65 58.989 46.106-147.215 1.00 0.96 C ATOM 845 O ASP A 65 59.192 46.136-148.413 1.00 0.98 O ATOM 846 CB ASP A 65 61.147 46.883-146.226 1.00 0.53 C ATOM 847 CG ASP A 65 61.823 48.034-145.479 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.156 49.024-145.226 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.997 47.906-145.172 1.00 1.14 O ATOM 0 H ASP A 65 59.673 46.511-144.234 1.00 0.45 H new ATOM 0 HA ASP A 65 59.441 48.131-146.646 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.358 45.938-145.726 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.548 46.806-147.237 1.00 0.53 H new ATOM 854 N GLY A 66 58.209 45.206-146.685 1.00 1.30 N ATOM 855 CA GLY A 66 57.548 44.192-147.551 1.00 1.72 C ATOM 856 C GLY A 66 58.556 43.115-147.952 1.00 0.91 C ATOM 857 O GLY A 66 58.795 42.881-149.120 1.00 1.14 O ATOM 0 H GLY A 66 58.001 45.129-145.689 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.710 43.739-147.021 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.141 44.671-148.441 1.00 1.72 H new ATOM 861 N LEU A 67 59.145 42.447-146.995 1.00 0.37 N ATOM 862 CA LEU A 67 60.125 41.380-147.337 1.00 1.03 C ATOM 863 C LEU A 67 59.496 40.015-147.058 1.00 0.91 C ATOM 864 O LEU A 67 59.627 39.093-147.839 1.00 1.09 O ATOM 865 CB LEU A 67 61.398 41.560-146.510 1.00 1.69 C ATOM 866 CG LEU A 67 62.340 42.517-147.246 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.381 43.074-146.273 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.053 41.761-148.370 1.00 2.68 C ATOM 0 H LEU A 67 58.990 42.594-145.998 1.00 0.37 H new ATOM 0 HA LEU A 67 60.388 41.445-148.393 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.154 41.956-145.524 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.885 40.597-146.355 1.00 1.69 H new ATOM 0 HG LEU A 67 61.761 43.341-147.663 1.00 1.79 H new ATOM 0 HD11 LEU A 67 64.048 43.754-146.803 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.877 43.612-145.470 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.961 42.253-145.851 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.724 42.440-148.896 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.628 40.937-147.947 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.315 41.367-149.069 1.00 2.68 H new ATOM 880 N ASP A 68 58.743 39.900-145.999 1.00 0.69 N ATOM 881 CA ASP A 68 58.014 38.633-145.709 1.00 0.59 C ATOM 882 C ASP A 68 56.540 38.960-145.916 1.00 0.59 C ATOM 883 O ASP A 68 55.974 39.692-145.128 1.00 0.59 O ATOM 884 CB ASP A 68 58.249 38.215-144.251 1.00 0.53 C ATOM 885 CG ASP A 68 57.910 36.733-144.092 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.529 36.123-145.077 1.00 0.97 O ATOM 887 OD2 ASP A 68 58.036 36.233-142.987 1.00 1.19 O ATOM 0 H ASP A 68 58.600 40.641-145.313 1.00 0.69 H new ATOM 0 HA ASP A 68 58.349 37.816-146.348 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.287 38.395-143.971 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.631 38.815-143.584 1.00 0.53 H new ATOM 892 N GLU A 69 55.889 38.505-146.951 1.00 0.63 N ATOM 893 CA GLU A 69 54.471 38.908-147.120 1.00 0.69 C ATOM 894 C GLU A 69 53.531 37.993-146.340 1.00 0.71 C ATOM 895 O GLU A 69 52.338 38.218-146.324 1.00 0.77 O ATOM 896 CB GLU A 69 54.107 38.854-148.605 1.00 0.73 C ATOM 897 CG GLU A 69 53.731 37.421-148.988 1.00 0.75 C ATOM 898 CD GLU A 69 53.612 37.313-150.509 1.00 1.36 C ATOM 899 OE1 GLU A 69 54.637 37.173-151.155 1.00 1.82 O ATOM 900 OE2 GLU A 69 52.497 37.373-151.002 1.00 2.06 O ATOM 0 H GLU A 69 56.268 37.887-147.669 1.00 0.63 H new ATOM 0 HA GLU A 69 54.357 39.921-146.734 1.00 0.69 H new ATOM 0 HB2 GLU A 69 53.274 39.527-148.811 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.948 39.194-149.209 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.486 36.725-148.622 1.00 0.75 H new ATOM 0 HG3 GLU A 69 52.787 37.144-148.518 1.00 0.75 H new ATOM 907 N ASP A 70 54.016 36.977-145.676 1.00 0.72 N ATOM 908 CA ASP A 70 53.085 36.108-144.905 1.00 0.78 C ATOM 909 C ASP A 70 53.487 36.187-143.434 1.00 0.69 C ATOM 910 O ASP A 70 52.942 35.514-142.580 1.00 0.84 O ATOM 911 CB ASP A 70 53.201 34.662-145.395 1.00 0.83 C ATOM 912 CG ASP A 70 52.506 34.526-146.752 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.629 35.327-147.029 1.00 1.43 O ATOM 914 OD2 ASP A 70 52.864 33.623-147.490 1.00 1.34 O ATOM 0 H ASP A 70 55.001 36.715-145.635 1.00 0.72 H new ATOM 0 HA ASP A 70 52.055 36.438-145.039 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.250 34.379-145.482 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.747 33.984-144.672 1.00 0.83 H new ATOM 919 N GLY A 71 54.432 37.035-143.144 1.00 0.50 N ATOM 920 CA GLY A 71 54.893 37.217-141.742 1.00 0.43 C ATOM 921 C GLY A 71 55.546 35.940-141.201 1.00 0.34 C ATOM 922 O GLY A 71 55.623 35.750-140.004 1.00 0.31 O ATOM 0 H GLY A 71 54.911 37.618-143.830 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.606 38.040-141.695 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.047 37.491-141.111 1.00 0.43 H new ATOM 926 N GLU A 72 56.033 35.064-142.043 1.00 0.36 N ATOM 927 CA GLU A 72 56.678 33.836-141.491 1.00 0.34 C ATOM 928 C GLU A 72 57.904 34.278-140.691 1.00 0.30 C ATOM 929 O GLU A 72 58.074 33.922-139.544 1.00 0.30 O ATOM 930 CB GLU A 72 57.110 32.919-142.638 1.00 0.40 C ATOM 931 CG GLU A 72 55.954 31.987-143.009 1.00 1.23 C ATOM 932 CD GLU A 72 55.914 30.810-142.035 1.00 1.97 C ATOM 933 OE1 GLU A 72 56.730 30.788-141.128 1.00 2.64 O ATOM 934 OE2 GLU A 72 55.067 29.950-142.211 1.00 2.68 O ATOM 0 H GLU A 72 56.014 35.141-143.060 1.00 0.36 H new ATOM 0 HA GLU A 72 55.982 33.289-140.855 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.403 33.514-143.503 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.982 32.335-142.342 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.010 32.531-142.977 1.00 1.23 H new ATOM 0 HG3 GLU A 72 56.079 31.624-144.029 1.00 1.23 H new ATOM 941 N LYS A 73 58.755 35.059-141.292 1.00 0.31 N ATOM 942 CA LYS A 73 59.959 35.532-140.557 1.00 0.33 C ATOM 943 C LYS A 73 59.490 36.003-139.182 1.00 0.29 C ATOM 944 O LYS A 73 60.202 35.925-138.191 1.00 0.29 O ATOM 945 CB LYS A 73 60.609 36.691-141.320 1.00 0.38 C ATOM 946 CG LYS A 73 61.033 36.214-142.712 1.00 0.55 C ATOM 947 CD LYS A 73 61.926 37.271-143.365 1.00 1.07 C ATOM 948 CE LYS A 73 63.386 37.007-142.992 1.00 1.38 C ATOM 949 NZ LYS A 73 64.278 37.773-143.908 1.00 2.36 N ATOM 0 H LYS A 73 58.671 35.389-142.254 1.00 0.31 H new ATOM 0 HA LYS A 73 60.697 34.736-140.459 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.908 37.521-141.407 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.475 37.061-140.771 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.568 35.267-142.636 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.153 36.034-143.330 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.806 37.245-144.448 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.630 38.267-143.035 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.568 37.302-141.959 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.604 35.941-143.062 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.995 37.135-144.308 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.713 38.185-144.678 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 64.749 38.534-143.378 1.00 2.36 H new ATOM 963 N GLU A 74 58.250 36.400-139.107 1.00 0.28 N ATOM 964 CA GLU A 74 57.665 36.793-137.803 1.00 0.28 C ATOM 965 C GLU A 74 57.324 35.489-137.102 1.00 0.26 C ATOM 966 O GLU A 74 57.455 35.338-135.919 1.00 0.27 O ATOM 967 CB GLU A 74 56.390 37.601-138.030 1.00 0.31 C ATOM 968 CG GLU A 74 56.141 38.498-136.822 1.00 0.37 C ATOM 969 CD GLU A 74 54.643 38.544-136.516 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.870 38.159-137.378 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.294 38.963-135.425 1.00 1.14 O ATOM 0 H GLU A 74 57.615 36.468-139.902 1.00 0.28 H new ATOM 0 HA GLU A 74 58.351 37.406-137.218 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.484 38.205-138.933 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.543 36.931-138.181 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.687 38.121-135.958 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.513 39.503-137.020 1.00 0.37 H new ATOM 978 N ALA A 75 56.896 34.547-137.880 1.00 0.25 N ATOM 979 CA ALA A 75 56.560 33.219-137.315 1.00 0.27 C ATOM 980 C ALA A 75 57.825 32.702-136.657 1.00 0.26 C ATOM 981 O ALA A 75 57.886 32.561-135.456 1.00 0.27 O ATOM 982 CB ALA A 75 56.098 32.264-138.417 1.00 0.30 C ATOM 0 H ALA A 75 56.763 34.638-138.887 1.00 0.25 H new ATOM 0 HA ALA A 75 55.744 33.293-136.596 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.856 31.295-137.981 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.214 32.673-138.906 1.00 0.30 H new ATOM 0 HB3 ALA A 75 56.895 32.143-139.151 1.00 0.30 H new ATOM 988 N ARG A 76 58.841 32.419-137.414 1.00 0.28 N ATOM 989 CA ARG A 76 60.087 31.917-136.786 1.00 0.31 C ATOM 990 C ARG A 76 60.407 32.785-135.575 1.00 0.28 C ATOM 991 O ARG A 76 60.659 32.292-134.494 1.00 0.30 O ATOM 992 CB ARG A 76 61.239 31.987-137.791 1.00 0.35 C ATOM 993 CG ARG A 76 62.520 31.463-137.140 1.00 0.66 C ATOM 994 CD ARG A 76 63.644 31.430-138.177 1.00 1.00 C ATOM 995 NE ARG A 76 63.834 32.794-138.747 1.00 1.51 N ATOM 996 CZ ARG A 76 64.917 33.075-139.419 1.00 2.03 C ATOM 997 NH1 ARG A 76 65.835 32.163-139.590 1.00 2.34 N ATOM 998 NH2 ARG A 76 65.083 34.270-139.919 1.00 3.14 N ATOM 0 H ARG A 76 58.864 32.512-138.429 1.00 0.28 H new ATOM 0 HA ARG A 76 59.954 30.881-136.476 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.000 31.396-138.675 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.382 33.015-138.124 1.00 0.35 H new ATOM 0 HG2 ARG A 76 62.802 32.101-136.303 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.353 30.464-136.737 1.00 0.66 H new ATOM 0 HD2 ARG A 76 64.569 31.085-137.715 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.401 30.723-138.970 1.00 1.00 H new ATOM 0 HE ARG A 76 63.118 33.508-138.612 1.00 1.51 H new ATOM 0 HH11 ARG A 76 65.706 31.230-139.198 1.00 2.34 H new ATOM 0 HH12 ARG A 76 66.681 32.383-140.115 1.00 2.34 H new ATOM 0 HH21 ARG A 76 64.366 34.983-139.784 1.00 3.14 H new ATOM 0 HH22 ARG A 76 65.929 34.490-140.444 1.00 3.14 H new ATOM 1012 N LEU A 77 60.399 34.076-135.742 1.00 0.30 N ATOM 1013 CA LEU A 77 60.705 34.967-134.586 1.00 0.31 C ATOM 1014 C LEU A 77 59.765 34.633-133.424 1.00 0.29 C ATOM 1015 O LEU A 77 60.194 34.285-132.343 1.00 0.30 O ATOM 1016 CB LEU A 77 60.523 36.425-135.001 1.00 0.35 C ATOM 1017 CG LEU A 77 61.816 36.925-135.643 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.514 38.128-136.531 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.807 37.333-134.549 1.00 0.38 C ATOM 0 H LEU A 77 60.196 34.552-136.621 1.00 0.30 H new ATOM 0 HA LEU A 77 61.737 34.814-134.269 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.694 36.516-135.703 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.273 37.035-134.133 1.00 0.35 H new ATOM 0 HG LEU A 77 62.251 36.129-136.247 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.437 38.484-136.988 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.811 37.837-137.312 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.077 38.925-135.928 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.729 37.690-135.008 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.373 38.128-133.943 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.026 36.472-133.917 1.00 0.38 H new ATOM 1031 N ILE A 78 58.488 34.733-133.649 1.00 0.29 N ATOM 1032 CA ILE A 78 57.496 34.421-132.580 1.00 0.32 C ATOM 1033 C ILE A 78 57.819 33.061-131.978 1.00 0.30 C ATOM 1034 O ILE A 78 57.825 32.886-130.783 1.00 0.32 O ATOM 1035 CB ILE A 78 56.101 34.384-133.184 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.736 35.787-133.653 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.095 33.919-132.130 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.749 35.688-134.807 1.00 0.37 C ATOM 0 H ILE A 78 58.081 35.021-134.539 1.00 0.29 H new ATOM 0 HA ILE A 78 57.539 35.186-131.805 1.00 0.32 H new ATOM 0 HB ILE A 78 56.079 33.691-134.025 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.298 36.355-132.832 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.631 36.322-133.969 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.096 33.894-132.566 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.365 32.921-131.784 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.105 34.610-131.287 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.484 36.689-135.146 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.204 35.135-135.629 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.850 35.169-134.474 1.00 0.37 H new ATOM 1050 N ARG A 79 58.107 32.104-132.808 1.00 0.29 N ATOM 1051 CA ARG A 79 58.459 30.750-132.280 1.00 0.32 C ATOM 1052 C ARG A 79 59.752 30.870-131.465 1.00 0.26 C ATOM 1053 O ARG A 79 59.930 30.202-130.465 1.00 0.26 O ATOM 1054 CB ARG A 79 58.671 29.779-133.444 1.00 0.38 C ATOM 1055 CG ARG A 79 59.557 28.619-132.985 1.00 0.39 C ATOM 1056 CD ARG A 79 59.368 27.429-133.926 1.00 0.39 C ATOM 1057 NE ARG A 79 60.314 26.341-133.547 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.137 25.133-134.006 1.00 2.14 C ATOM 1059 NH1 ARG A 79 59.131 24.876-134.797 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.965 24.180-133.674 1.00 3.27 N ATOM 0 H ARG A 79 58.116 32.193-133.824 1.00 0.29 H new ATOM 0 HA ARG A 79 57.653 30.373-131.651 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.711 29.401-133.795 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.136 30.296-134.283 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.602 28.927-132.977 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.301 28.334-131.965 1.00 0.39 H new ATOM 0 HD2 ARG A 79 58.341 27.068-133.871 1.00 0.39 H new ATOM 0 HD3 ARG A 79 59.544 27.736-134.957 1.00 0.39 H new ATOM 0 HE ARG A 79 61.100 26.541-132.929 1.00 1.50 H new ATOM 0 HH11 ARG A 79 58.483 25.620-135.056 1.00 2.28 H new ATOM 0 HH12 ARG A 79 58.993 23.931-135.156 1.00 2.28 H new ATOM 0 HH21 ARG A 79 61.751 24.380-133.055 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.826 23.236-134.033 1.00 3.27 H new ATOM 1074 N ASN A 80 60.648 31.733-131.874 1.00 0.23 N ATOM 1075 CA ASN A 80 61.918 31.912-131.110 1.00 0.21 C ATOM 1076 C ASN A 80 61.607 32.692-129.835 1.00 0.21 C ATOM 1077 O ASN A 80 62.316 32.612-128.851 1.00 0.22 O ATOM 1078 CB ASN A 80 62.926 32.688-131.960 1.00 0.23 C ATOM 1079 CG ASN A 80 63.060 32.021-133.330 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.361 31.073-133.628 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.935 32.480-134.183 1.00 1.15 N ATOM 0 H ASN A 80 60.554 32.320-132.703 1.00 0.23 H new ATOM 0 HA ASN A 80 62.346 30.941-130.859 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.599 33.721-132.077 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.894 32.715-131.461 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.032 32.043-135.099 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.522 33.276-133.933 1.00 1.15 H new ATOM 1088 N LEU A 81 60.500 33.379-129.824 1.00 0.23 N ATOM 1089 CA LEU A 81 60.089 34.095-128.592 1.00 0.28 C ATOM 1090 C LEU A 81 59.460 33.034-127.711 1.00 0.30 C ATOM 1091 O LEU A 81 59.832 32.828-126.572 1.00 0.31 O ATOM 1092 CB LEU A 81 59.061 35.180-128.927 1.00 0.35 C ATOM 1093 CG LEU A 81 59.766 36.369-129.581 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.746 37.195-130.369 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.400 37.244-128.498 1.00 1.26 C ATOM 0 H LEU A 81 59.864 33.474-130.616 1.00 0.23 H new ATOM 0 HA LEU A 81 60.930 34.588-128.105 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.301 34.780-129.598 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.548 35.502-128.021 1.00 0.35 H new ATOM 0 HG LEU A 81 60.541 36.006-130.256 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.247 38.043-130.836 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.292 36.573-131.140 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.972 37.558-129.693 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.903 38.092-128.963 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.625 37.607-127.824 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.125 36.657-127.934 1.00 1.26 H new ATOM 1107 N ASN A 82 58.534 32.324-128.279 1.00 0.35 N ATOM 1108 CA ASN A 82 57.871 31.216-127.566 1.00 0.42 C ATOM 1109 C ASN A 82 58.944 30.342-126.935 1.00 0.37 C ATOM 1110 O ASN A 82 58.993 30.176-125.736 1.00 0.38 O ATOM 1111 CB ASN A 82 57.058 30.419-128.593 1.00 0.51 C ATOM 1112 CG ASN A 82 55.661 31.028-128.724 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.670 30.339-128.584 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.538 32.300-128.989 1.00 0.98 N ATOM 0 H ASN A 82 58.203 32.473-129.232 1.00 0.35 H new ATOM 0 HA ASN A 82 57.207 31.581-126.782 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.563 30.430-129.559 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.984 29.376-128.284 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.611 32.715-129.078 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.369 32.879-129.107 1.00 0.98 H new ATOM 1121 N VAL A 83 59.821 29.799-127.726 1.00 0.35 N ATOM 1122 CA VAL A 83 60.905 28.957-127.156 1.00 0.36 C ATOM 1123 C VAL A 83 61.622 29.758-126.069 1.00 0.32 C ATOM 1124 O VAL A 83 61.768 29.309-124.952 1.00 0.35 O ATOM 1125 CB VAL A 83 61.900 28.586-128.258 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.839 27.489-127.751 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.138 28.077-129.484 1.00 0.44 C ATOM 0 H VAL A 83 59.835 29.901-128.741 1.00 0.35 H new ATOM 0 HA VAL A 83 60.485 28.044-126.733 1.00 0.36 H new ATOM 0 HB VAL A 83 62.483 29.466-128.531 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.548 27.225-128.536 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.383 27.850-126.878 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.256 26.609-127.477 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.847 27.813-130.269 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.555 27.198-129.211 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.469 28.858-129.847 1.00 0.44 H new ATOM 1137 N ILE A 84 62.066 30.944-126.387 1.00 0.27 N ATOM 1138 CA ILE A 84 62.764 31.753-125.353 1.00 0.30 C ATOM 1139 C ILE A 84 61.972 31.660-124.049 1.00 0.31 C ATOM 1140 O ILE A 84 62.507 31.357-122.993 1.00 0.37 O ATOM 1141 CB ILE A 84 62.843 33.208-125.785 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.967 33.363-126.804 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.141 34.081-124.563 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.716 34.613-127.634 1.00 0.37 C ATOM 0 H ILE A 84 61.977 31.381-127.304 1.00 0.27 H new ATOM 0 HA ILE A 84 63.776 31.372-125.216 1.00 0.30 H new ATOM 0 HB ILE A 84 61.897 33.515-126.231 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.928 33.436-126.296 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.013 32.486-127.449 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.199 35.126-124.868 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.346 33.961-123.827 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.091 33.778-124.123 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.516 34.731-128.365 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.761 34.520-128.152 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.691 35.485-126.980 1.00 0.37 H new ATOM 1156 N LEU A 85 60.692 31.910-124.110 1.00 0.35 N ATOM 1157 CA LEU A 85 59.875 31.831-122.870 1.00 0.42 C ATOM 1158 C LEU A 85 59.865 30.389-122.373 1.00 0.42 C ATOM 1159 O LEU A 85 60.289 30.104-121.283 1.00 0.47 O ATOM 1160 CB LEU A 85 58.441 32.267-123.160 1.00 0.54 C ATOM 1161 CG LEU A 85 58.327 33.790-123.067 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.309 34.208-121.598 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.521 34.442-123.765 1.00 0.61 C ATOM 0 H LEU A 85 60.183 32.163-124.957 1.00 0.35 H new ATOM 0 HA LEU A 85 60.305 32.488-122.114 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.145 31.932-124.154 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.759 31.799-122.450 1.00 0.54 H new ATOM 0 HG LEU A 85 57.406 34.112-123.552 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.228 35.293-121.529 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.456 33.748-121.099 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.230 33.882-121.116 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.435 35.526-123.696 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.444 34.120-123.284 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.536 34.145-124.814 1.00 0.61 H new ATOM 1175 N ALA A 86 59.394 29.476-123.174 1.00 0.47 N ATOM 1176 CA ALA A 86 59.371 28.051-122.747 1.00 0.58 C ATOM 1177 C ALA A 86 60.741 27.683-122.174 1.00 0.59 C ATOM 1178 O ALA A 86 60.899 26.691-121.490 1.00 0.73 O ATOM 1179 CB ALA A 86 59.073 27.167-123.959 1.00 0.64 C ATOM 0 H ALA A 86 59.023 29.656-124.107 1.00 0.47 H new ATOM 0 HA ALA A 86 58.602 27.901-121.990 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.055 26.122-123.651 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.104 27.439-124.378 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.847 27.310-124.713 1.00 0.64 H new ATOM 1185 N LYS A 87 61.730 28.477-122.465 1.00 0.50 N ATOM 1186 CA LYS A 87 63.104 28.196-121.965 1.00 0.60 C ATOM 1187 C LYS A 87 63.253 28.748-120.556 1.00 0.58 C ATOM 1188 O LYS A 87 63.783 28.101-119.674 1.00 0.71 O ATOM 1189 CB LYS A 87 64.105 28.893-122.877 1.00 0.61 C ATOM 1190 CG LYS A 87 65.455 28.175-122.809 1.00 0.82 C ATOM 1191 CD LYS A 87 66.496 28.970-123.599 1.00 0.99 C ATOM 1192 CE LYS A 87 67.766 28.132-123.758 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.517 28.119-122.472 1.00 2.02 N ATOM 0 H LYS A 87 61.645 29.319-123.035 1.00 0.50 H new ATOM 0 HA LYS A 87 63.283 27.121-121.956 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.736 28.896-123.903 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.221 29.934-122.577 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.772 28.071-121.771 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.364 27.168-123.217 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.099 29.237-124.578 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.725 29.902-123.083 1.00 0.99 H new ATOM 0 HE2 LYS A 87 67.509 27.114-124.051 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.390 28.544-124.551 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.380 27.549-122.580 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.775 29.092-122.211 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 67.921 27.706-121.726 1.00 2.02 H new ATOM 1207 N TYR A 88 62.776 29.936-120.335 1.00 0.45 N ATOM 1208 CA TYR A 88 62.878 30.524-118.972 1.00 0.47 C ATOM 1209 C TYR A 88 61.737 29.980-118.118 1.00 0.54 C ATOM 1210 O TYR A 88 61.792 29.972-116.904 1.00 0.58 O ATOM 1211 CB TYR A 88 62.790 32.047-119.062 1.00 0.44 C ATOM 1212 CG TYR A 88 64.161 32.599-119.366 1.00 0.45 C ATOM 1213 CD1 TYR A 88 64.588 32.719-120.694 1.00 0.53 C ATOM 1214 CD2 TYR A 88 65.010 32.980-118.320 1.00 0.58 C ATOM 1215 CE1 TYR A 88 65.864 33.221-120.976 1.00 0.62 C ATOM 1216 CE2 TYR A 88 66.285 33.483-118.603 1.00 0.64 C ATOM 1217 CZ TYR A 88 66.713 33.603-119.931 1.00 0.61 C ATOM 1218 OH TYR A 88 67.970 34.098-120.209 1.00 0.73 O ATOM 0 H TYR A 88 62.322 30.525-121.033 1.00 0.45 H new ATOM 0 HA TYR A 88 63.833 30.257-118.519 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.085 32.338-119.841 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.417 32.459-118.124 1.00 0.44 H new ATOM 0 HD1 TYR A 88 63.933 32.424-121.501 1.00 0.53 H new ATOM 0 HD2 TYR A 88 64.681 32.886-117.296 1.00 0.58 H new ATOM 0 HE1 TYR A 88 66.193 33.314-122.000 1.00 0.62 H new ATOM 0 HE2 TYR A 88 66.939 33.779-117.796 1.00 0.64 H new ATOM 0 HH TYR A 88 68.120 34.085-121.177 1.00 0.73 H new ATOM 1228 N GLY A 89 60.695 29.546-118.760 1.00 0.59 N ATOM 1229 CA GLY A 89 59.520 29.018-118.011 1.00 0.69 C ATOM 1230 C GLY A 89 58.654 30.199-117.577 1.00 0.77 C ATOM 1231 O GLY A 89 58.187 30.267-116.456 1.00 1.09 O ATOM 0 H GLY A 89 60.603 29.533-119.776 1.00 0.59 H new ATOM 0 HA2 GLY A 89 58.945 28.337-118.638 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.849 28.449-117.141 1.00 0.69 H new ATOM 1235 N LEU A 90 58.444 31.137-118.460 1.00 0.65 N ATOM 1236 CA LEU A 90 57.617 32.327-118.112 1.00 0.75 C ATOM 1237 C LEU A 90 56.287 32.295-118.878 1.00 0.80 C ATOM 1238 O LEU A 90 55.285 32.801-118.416 1.00 1.31 O ATOM 1239 CB LEU A 90 58.386 33.592-118.492 1.00 0.82 C ATOM 1240 CG LEU A 90 58.651 34.430-117.244 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.762 35.438-117.541 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.372 35.173-116.853 1.00 1.68 C ATOM 0 H LEU A 90 58.811 31.130-119.412 1.00 0.65 H new ATOM 0 HA LEU A 90 57.408 32.318-117.042 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.329 33.326-118.970 1.00 0.82 H new ATOM 0 HB3 LEU A 90 57.815 34.172-119.216 1.00 0.82 H new ATOM 0 HG LEU A 90 58.958 33.783-116.423 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.955 36.039-116.652 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.670 34.906-117.823 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.454 36.089-118.359 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.558 35.773-115.962 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.065 35.824-117.671 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.581 34.452-116.647 1.00 1.68 H new