USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -10.7! C(o=-14!,f=-19!) USER MOD Set 1.2: A 80 ASN : amide:sc= -3.42! C(o=-14!,f=-17!) USER MOD Single : A 22 MET CE :methyl -115:sc= -0.0252 (180deg=-0.278) USER MOD Single : A 24 LYS NZ :NH3+ -151:sc= -0.99! (180deg=-1.54!) USER MOD Single : A 26 ASN : amide:sc= -4.25! C(o=-4.2!,f=-14!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= -0.129 (180deg=-0.73) USER MOD Single : A 33 GLN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.482 F(o=-1.9,f=-0.48) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -1.67 F(o=-5.1!,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -152:sc= 0 (180deg=-1.01) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= -1.19 (180deg=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= -5.11! (180deg=-5.26!) USER MOD Single : A 88 TYR OH : rot 175:sc= -10.4! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.349 50.268-123.710 1.00 0.57 N ATOM 24 CA GLU A 19 64.465 49.311-123.989 1.00 0.55 C ATOM 25 C GLU A 19 64.454 48.922-125.476 1.00 0.56 C ATOM 26 O GLU A 19 65.439 49.070-126.171 1.00 0.63 O ATOM 27 CB GLU A 19 64.302 48.063-123.113 1.00 0.45 C ATOM 28 CG GLU A 19 62.850 47.591-123.144 1.00 0.38 C ATOM 29 CD GLU A 19 62.811 46.072-123.021 1.00 1.26 C ATOM 30 OE1 GLU A 19 63.870 45.483-122.882 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.723 45.526-123.045 1.00 2.06 O ATOM 0 HA GLU A 19 65.418 49.785-123.756 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.959 47.270-123.470 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.599 48.286-122.088 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.290 48.048-122.328 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.373 47.904-124.073 1.00 0.38 H new ATOM 38 N PHE A 20 63.338 48.457-125.972 1.00 0.51 N ATOM 39 CA PHE A 20 63.241 48.093-127.420 1.00 0.54 C ATOM 40 C PHE A 20 62.213 49.015-128.067 1.00 0.55 C ATOM 41 O PHE A 20 61.861 50.039-127.516 1.00 0.57 O ATOM 42 CB PHE A 20 62.766 46.649-127.574 1.00 0.52 C ATOM 43 CG PHE A 20 63.622 45.730-126.743 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.962 45.515-127.082 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.067 45.088-125.636 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.749 44.656-126.305 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.850 44.228-124.859 1.00 0.51 C ATOM 48 CZ PHE A 20 65.191 44.011-125.191 1.00 0.56 C ATOM 0 H PHE A 20 62.483 48.312-125.435 1.00 0.51 H new ATOM 0 HA PHE A 20 64.219 48.196-127.890 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.724 46.566-127.265 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.812 46.353-128.622 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.389 46.011-127.941 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.032 45.255-125.379 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.785 44.490-126.563 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.419 43.731-124.002 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.796 43.348-124.591 1.00 0.56 H new ATOM 58 N ARG A 21 61.700 48.678-129.218 1.00 0.57 N ATOM 59 CA ARG A 21 60.682 49.556-129.853 1.00 0.60 C ATOM 60 C ARG A 21 59.478 48.691-130.218 1.00 0.57 C ATOM 61 O ARG A 21 58.528 49.139-130.827 1.00 0.59 O ATOM 62 CB ARG A 21 61.266 50.175-131.120 1.00 0.69 C ATOM 63 CG ARG A 21 62.542 50.947-130.774 1.00 0.74 C ATOM 64 CD ARG A 21 63.734 49.987-130.741 1.00 0.82 C ATOM 65 NE ARG A 21 64.729 50.368-131.791 1.00 1.35 N ATOM 66 CZ ARG A 21 64.340 50.713-132.990 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.075 50.687-133.306 1.00 2.06 N ATOM 68 NH2 ARG A 21 65.223 51.072-133.880 1.00 2.72 N ATOM 0 H ARG A 21 61.941 47.837-129.743 1.00 0.57 H new ATOM 0 HA ARG A 21 60.386 50.354-129.172 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.487 49.395-131.849 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.538 50.844-131.579 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.715 51.731-131.511 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.431 51.437-129.807 1.00 0.74 H new ATOM 0 HD2 ARG A 21 64.204 50.011-129.758 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.393 48.965-130.906 1.00 0.82 H new ATOM 0 HE ARG A 21 65.724 50.358-131.568 1.00 1.35 H new ATOM 0 HH11 ARG A 21 62.383 50.396-132.616 1.00 2.06 H new ATOM 0 HH12 ARG A 21 62.778 50.957-134.244 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.214 51.083-133.639 1.00 2.72 H new ATOM 0 HH22 ARG A 21 64.922 51.342-134.817 1.00 2.72 H new ATOM 82 N MET A 22 59.525 47.446-129.834 1.00 0.54 N ATOM 83 CA MET A 22 58.400 46.518-130.134 1.00 0.55 C ATOM 84 C MET A 22 57.581 46.293-128.863 1.00 0.49 C ATOM 85 O MET A 22 58.119 46.151-127.781 1.00 0.63 O ATOM 86 CB MET A 22 58.957 45.180-130.624 1.00 0.61 C ATOM 87 CG MET A 22 59.669 45.382-131.962 1.00 0.71 C ATOM 88 SD MET A 22 58.465 45.879-133.219 1.00 1.14 S ATOM 89 CE MET A 22 57.793 44.232-133.552 1.00 1.25 C ATOM 0 H MET A 22 60.301 47.029-129.321 1.00 0.54 H new ATOM 0 HA MET A 22 57.766 46.951-130.908 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.651 44.772-129.889 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.149 44.457-130.736 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.442 46.144-131.863 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.166 44.460-132.264 1.00 0.71 H new ATOM 0 HE1 MET A 22 58.028 43.944-134.577 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.235 43.513-132.862 1.00 1.25 H new ATOM 0 HE3 MET A 22 56.711 44.246-133.418 1.00 1.25 H new ATOM 99 N GLU A 23 56.284 46.269-128.981 1.00 0.47 N ATOM 100 CA GLU A 23 55.434 46.067-127.777 1.00 0.46 C ATOM 101 C GLU A 23 55.647 44.664-127.209 1.00 0.50 C ATOM 102 O GLU A 23 55.771 44.489-126.014 1.00 0.50 O ATOM 103 CB GLU A 23 53.962 46.250-128.153 1.00 0.50 C ATOM 104 CG GLU A 23 53.696 47.722-128.473 1.00 1.45 C ATOM 105 CD GLU A 23 52.194 47.939-128.668 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.682 47.518-129.692 1.00 2.68 O ATOM 107 OE2 GLU A 23 51.580 48.521-127.789 1.00 2.48 O ATOM 0 H GLU A 23 55.776 46.380-129.859 1.00 0.47 H new ATOM 0 HA GLU A 23 55.712 46.801-127.020 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.716 45.629-129.015 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.323 45.924-127.332 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.063 48.353-127.664 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.236 48.013-129.374 1.00 1.45 H new ATOM 114 N LYS A 24 55.689 43.658-128.039 1.00 0.54 N ATOM 115 CA LYS A 24 55.894 42.281-127.512 1.00 0.59 C ATOM 116 C LYS A 24 57.124 42.258-126.609 1.00 0.53 C ATOM 117 O LYS A 24 57.063 41.830-125.473 1.00 0.55 O ATOM 118 CB LYS A 24 56.101 41.313-128.679 1.00 0.67 C ATOM 119 CG LYS A 24 57.154 41.881-129.632 1.00 0.64 C ATOM 120 CD LYS A 24 56.893 41.366-131.049 1.00 0.77 C ATOM 121 CE LYS A 24 56.588 39.868-131.001 1.00 1.46 C ATOM 122 NZ LYS A 24 57.025 39.232-132.276 1.00 2.09 N ATOM 0 H LYS A 24 55.591 43.729-129.052 1.00 0.54 H new ATOM 0 HA LYS A 24 55.017 41.978-126.939 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.420 40.340-128.306 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.161 41.159-129.209 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.122 42.970-129.618 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.151 41.587-129.305 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.056 41.904-131.494 1.00 0.77 H new ATOM 0 HD3 LYS A 24 57.762 41.551-131.680 1.00 0.77 H new ATOM 0 HE2 LYS A 24 57.103 39.408-130.157 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.521 39.708-130.849 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.428 38.404-132.473 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.936 39.917-133.054 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 58.017 38.931-132.192 1.00 2.09 H new ATOM 136 N LEU A 25 58.240 42.710-127.102 1.00 0.47 N ATOM 137 CA LEU A 25 59.479 42.710-126.278 1.00 0.42 C ATOM 138 C LEU A 25 59.276 43.571-125.032 1.00 0.39 C ATOM 139 O LEU A 25 59.475 43.130-123.926 1.00 0.55 O ATOM 140 CB LEU A 25 60.626 43.297-127.098 1.00 0.43 C ATOM 141 CG LEU A 25 61.212 42.230-128.019 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.202 42.742-129.462 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.653 41.942-127.593 1.00 1.03 C ATOM 0 H LEU A 25 58.349 43.082-128.046 1.00 0.47 H new ATOM 0 HA LEU A 25 59.710 41.687-125.981 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.267 44.140-127.688 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.400 43.680-126.433 1.00 0.43 H new ATOM 0 HG LEU A 25 60.617 41.319-127.954 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.620 41.981-130.121 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.177 42.960-129.764 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.801 43.650-129.530 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.080 41.181-128.246 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.243 42.855-127.666 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.663 41.585-126.563 1.00 1.03 H new ATOM 155 N ASN A 26 58.885 44.801-125.206 1.00 0.39 N ATOM 156 CA ASN A 26 58.684 45.667-124.009 1.00 0.37 C ATOM 157 C ASN A 26 57.807 44.901-123.020 1.00 0.40 C ATOM 158 O ASN A 26 58.176 44.657-121.888 1.00 0.40 O ATOM 159 CB ASN A 26 57.991 46.972-124.397 1.00 0.41 C ATOM 160 CG ASN A 26 58.686 47.579-125.618 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.494 46.932-126.255 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.409 48.804-125.969 1.00 0.45 N ATOM 0 H ASN A 26 58.698 45.240-126.107 1.00 0.39 H new ATOM 0 HA ASN A 26 59.649 45.913-123.566 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.940 46.785-124.619 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.021 47.673-123.563 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.870 49.219-126.778 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.731 49.347-125.434 1.00 0.45 H new ATOM 169 N GLN A 27 56.644 44.529-123.459 1.00 0.44 N ATOM 170 CA GLN A 27 55.710 43.780-122.580 1.00 0.50 C ATOM 171 C GLN A 27 56.463 42.641-121.890 1.00 0.47 C ATOM 172 O GLN A 27 56.437 42.509-120.680 1.00 0.48 O ATOM 173 CB GLN A 27 54.570 43.202-123.422 1.00 0.59 C ATOM 174 CG GLN A 27 53.642 44.334-123.870 1.00 0.58 C ATOM 175 CD GLN A 27 52.474 43.753-124.669 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.493 42.596-125.039 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.451 44.512-124.951 1.00 2.02 N ATOM 0 H GLN A 27 56.295 44.713-124.400 1.00 0.44 H new ATOM 0 HA GLN A 27 55.300 44.453-121.827 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.973 42.682-124.291 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.011 42.467-122.842 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.268 44.876-123.002 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.193 45.050-124.480 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.436 45.483-124.640 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.667 44.134-125.482 1.00 2.02 H new ATOM 186 N LEU A 28 57.122 41.806-122.647 1.00 0.47 N ATOM 187 CA LEU A 28 57.858 40.658-122.036 1.00 0.47 C ATOM 188 C LEU A 28 58.937 41.158-121.075 1.00 0.39 C ATOM 189 O LEU A 28 59.049 40.687-119.961 1.00 0.50 O ATOM 190 CB LEU A 28 58.512 39.830-123.144 1.00 0.50 C ATOM 191 CG LEU A 28 57.428 39.244-124.049 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.033 38.899-125.412 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.860 37.975-123.409 1.00 1.21 C ATOM 0 H LEU A 28 57.184 41.868-123.663 1.00 0.47 H new ATOM 0 HA LEU A 28 57.150 40.045-121.478 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.190 40.454-123.727 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.110 39.029-122.709 1.00 0.50 H new ATOM 0 HG LEU A 28 56.630 39.975-124.179 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.261 38.481-126.058 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.439 39.802-125.869 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.831 38.168-125.281 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.087 37.557-124.054 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.658 37.244-123.279 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.429 38.219-122.438 1.00 1.21 H new ATOM 205 N TRP A 29 59.731 42.108-121.482 1.00 0.37 N ATOM 206 CA TRP A 29 60.797 42.642-120.596 1.00 0.30 C ATOM 207 C TRP A 29 60.165 43.077-119.278 1.00 0.36 C ATOM 208 O TRP A 29 60.477 42.563-118.217 1.00 0.39 O ATOM 209 CB TRP A 29 61.398 43.845-121.328 1.00 0.32 C ATOM 210 CG TRP A 29 62.557 44.432-120.598 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.730 45.754-120.402 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.713 43.774-120.002 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.907 45.958-119.718 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.550 44.770-119.443 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.115 42.430-119.885 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.738 44.446-118.795 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.311 42.103-119.233 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.121 43.111-118.689 1.00 0.41 C ATOM 0 H TRP A 29 59.684 42.542-122.404 1.00 0.37 H new ATOM 0 HA TRP A 29 61.567 41.902-120.377 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.717 43.539-122.324 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.630 44.608-121.459 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.053 46.529-120.729 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.260 46.876-119.448 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.498 41.647-120.300 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.359 45.224-118.377 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.611 41.069-119.149 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.042 42.852-118.188 1.00 0.41 H new ATOM 229 N GLU A 30 59.280 44.027-119.343 1.00 0.45 N ATOM 230 CA GLU A 30 58.622 44.504-118.103 1.00 0.56 C ATOM 231 C GLU A 30 58.217 43.277-117.286 1.00 0.50 C ATOM 232 O GLU A 30 58.444 43.203-116.095 1.00 0.52 O ATOM 233 CB GLU A 30 57.377 45.318-118.464 1.00 0.68 C ATOM 234 CG GLU A 30 57.771 46.778-118.698 1.00 0.86 C ATOM 235 CD GLU A 30 58.346 47.365-117.408 1.00 1.53 C ATOM 236 OE1 GLU A 30 58.093 46.799-116.358 1.00 2.33 O ATOM 237 OE2 GLU A 30 59.031 48.371-117.492 1.00 2.06 O ATOM 0 H GLU A 30 58.985 44.493-120.201 1.00 0.45 H new ATOM 0 HA GLU A 30 59.299 45.136-117.529 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.909 44.909-119.359 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.642 45.253-117.662 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.507 46.843-119.499 1.00 0.86 H new ATOM 0 HG3 GLU A 30 56.902 47.354-119.016 1.00 0.86 H new ATOM 244 N LYS A 31 57.617 42.313-117.930 1.00 0.46 N ATOM 245 CA LYS A 31 57.192 41.081-117.208 1.00 0.45 C ATOM 246 C LYS A 31 58.398 40.450-116.500 1.00 0.43 C ATOM 247 O LYS A 31 58.360 40.173-115.313 1.00 0.46 O ATOM 248 CB LYS A 31 56.607 40.081-118.209 1.00 0.44 C ATOM 249 CG LYS A 31 55.080 40.189-118.215 1.00 0.91 C ATOM 250 CD LYS A 31 54.567 40.109-119.655 1.00 0.99 C ATOM 251 CE LYS A 31 54.925 38.747-120.253 1.00 1.36 C ATOM 252 NZ LYS A 31 54.339 37.666-119.409 1.00 2.08 N ATOM 0 H LYS A 31 57.403 42.326-118.927 1.00 0.46 H new ATOM 0 HA LYS A 31 56.437 41.341-116.466 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.999 40.279-119.207 1.00 0.44 H new ATOM 0 HB3 LYS A 31 56.908 39.068-117.944 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.646 39.387-117.618 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.770 41.129-117.759 1.00 0.91 H new ATOM 0 HD2 LYS A 31 53.487 40.254-119.675 1.00 0.99 H new ATOM 0 HD3 LYS A 31 55.007 40.907-120.253 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.545 38.674-121.272 1.00 1.36 H new ATOM 0 HE3 LYS A 31 56.008 38.635-120.307 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 54.013 36.888-120.018 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 55.061 37.310-118.750 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.534 38.044-118.870 1.00 2.08 H new ATOM 266 N ALA A 32 59.470 40.209-117.209 1.00 0.41 N ATOM 267 CA ALA A 32 60.651 39.586-116.546 1.00 0.41 C ATOM 268 C ALA A 32 61.048 40.423-115.337 1.00 0.41 C ATOM 269 O ALA A 32 61.004 39.956-114.211 1.00 0.42 O ATOM 270 CB ALA A 32 61.831 39.506-117.512 1.00 0.42 C ATOM 0 H ALA A 32 59.578 40.413-118.203 1.00 0.41 H new ATOM 0 HA ALA A 32 60.385 38.576-116.233 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.683 39.048-117.009 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.553 38.903-118.376 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.100 40.510-117.841 1.00 0.42 H new ATOM 276 N GLN A 33 61.431 41.658-115.528 1.00 0.43 N ATOM 277 CA GLN A 33 61.810 42.472-114.349 1.00 0.47 C ATOM 278 C GLN A 33 60.768 42.242-113.264 1.00 0.49 C ATOM 279 O GLN A 33 61.080 42.148-112.094 1.00 0.53 O ATOM 280 CB GLN A 33 61.857 43.952-114.736 1.00 0.51 C ATOM 281 CG GLN A 33 63.046 44.198-115.672 1.00 0.53 C ATOM 282 CD GLN A 33 63.048 45.660-116.121 1.00 0.75 C ATOM 283 OE1 GLN A 33 64.077 46.307-116.122 1.00 1.17 O ATOM 284 NE2 GLN A 33 61.930 46.213-116.507 1.00 1.23 N ATOM 0 H GLN A 33 61.496 42.126-116.432 1.00 0.43 H new ATOM 0 HA GLN A 33 62.796 42.183-113.985 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.928 44.240-115.228 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.950 44.570-113.843 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.980 43.962-115.161 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.982 43.540-116.539 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.066 45.671-116.507 1.00 1.23 H new ATOM 0 HE22 GLN A 33 61.921 47.187-116.809 1.00 1.23 H new ATOM 293 N ARG A 34 59.526 42.129-113.648 1.00 0.49 N ATOM 294 CA ARG A 34 58.462 41.879-112.643 1.00 0.52 C ATOM 295 C ARG A 34 58.784 40.584-111.914 1.00 0.52 C ATOM 296 O ARG A 34 58.610 40.473-110.716 1.00 0.55 O ATOM 297 CB ARG A 34 57.114 41.749-113.346 1.00 0.56 C ATOM 298 CG ARG A 34 56.139 42.785-112.783 1.00 0.67 C ATOM 299 CD ARG A 34 56.527 44.177-113.285 1.00 1.59 C ATOM 300 NE ARG A 34 55.710 44.519-114.482 1.00 1.96 N ATOM 301 CZ ARG A 34 55.650 45.754-114.899 1.00 2.81 C ATOM 302 NH1 ARG A 34 56.305 46.689-114.269 1.00 3.42 N ATOM 303 NH2 ARG A 34 54.933 46.054-115.949 1.00 3.58 N ATOM 0 H ARG A 34 59.205 42.199-114.614 1.00 0.49 H new ATOM 0 HA ARG A 34 58.414 42.706-111.935 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.237 41.896-114.419 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.714 40.745-113.205 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.121 42.547-113.091 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.156 42.762-111.693 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.368 44.916-112.500 1.00 1.59 H new ATOM 0 HD3 ARG A 34 57.587 44.202-113.536 1.00 1.59 H new ATOM 0 HE ARG A 34 55.198 43.788-114.976 1.00 1.96 H new ATOM 0 HH11 ARG A 34 56.865 46.455-113.449 1.00 3.42 H new ATOM 0 HH12 ARG A 34 56.257 47.654-114.596 1.00 3.42 H new ATOM 0 HH21 ARG A 34 54.420 45.323-116.442 1.00 3.58 H new ATOM 0 HH22 ARG A 34 54.886 47.019-116.275 1.00 3.58 H new ATOM 317 N LEU A 35 59.297 39.617-112.618 1.00 0.50 N ATOM 318 CA LEU A 35 59.677 38.351-111.943 1.00 0.54 C ATOM 319 C LEU A 35 60.954 38.636-111.166 1.00 0.55 C ATOM 320 O LEU A 35 61.377 37.878-110.316 1.00 0.61 O ATOM 321 CB LEU A 35 59.927 37.255-112.980 1.00 0.57 C ATOM 322 CG LEU A 35 58.608 36.557-113.311 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.799 37.425-114.277 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.899 35.203-113.961 1.00 0.84 C ATOM 0 H LEU A 35 59.468 39.648-113.623 1.00 0.50 H new ATOM 0 HA LEU A 35 58.883 38.007-111.281 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.360 37.686-113.883 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.647 36.532-112.595 1.00 0.57 H new ATOM 0 HG LEU A 35 58.036 36.406-112.395 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.858 36.927-114.513 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.593 38.390-113.814 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.369 37.577-115.194 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.959 34.704-114.198 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.470 35.354-114.877 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.475 34.585-113.272 1.00 0.84 H new ATOM 336 N HIS A 36 61.555 39.755-111.460 1.00 0.53 N ATOM 337 CA HIS A 36 62.807 40.161-110.754 1.00 0.58 C ATOM 338 C HIS A 36 63.918 39.130-110.975 1.00 0.49 C ATOM 339 O HIS A 36 64.384 38.492-110.052 1.00 1.37 O ATOM 340 CB HIS A 36 62.528 40.294-109.256 1.00 0.98 C ATOM 341 CG HIS A 36 62.020 41.678-108.960 1.00 1.43 C ATOM 342 ND1 HIS A 36 60.914 42.363-109.399 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.685 42.541-108.103 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.890 43.630-108.825 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 61.980 43.686-108.053 1.00 2.17 N flip ATOM 0 H HIS A 36 61.230 40.414-112.167 1.00 0.53 H new ATOM 0 HA HIS A 36 63.136 41.118-111.158 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.793 39.551-108.945 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.438 40.100-108.687 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.216 41.998-110.047 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.602 42.332-107.572 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.150 44.403-108.972 1.00 2.32 H new ATOM 353 N LEU A 37 64.328 38.951-112.197 1.00 0.59 N ATOM 354 CA LEU A 37 65.390 37.942-112.468 1.00 0.43 C ATOM 355 C LEU A 37 66.749 38.617-112.259 1.00 0.44 C ATOM 356 O LEU A 37 66.987 39.701-112.755 1.00 0.42 O ATOM 357 CB LEU A 37 65.316 37.451-113.916 1.00 0.53 C ATOM 358 CG LEU A 37 63.873 37.135-114.299 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.078 38.438-114.396 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.862 36.434-115.661 1.00 0.82 C ATOM 0 H LEU A 37 63.979 39.453-113.014 1.00 0.59 H new ATOM 0 HA LEU A 37 65.256 37.092-111.799 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.718 38.212-114.585 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.934 36.561-114.037 1.00 0.53 H new ATOM 0 HG LEU A 37 63.423 36.489-113.545 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.047 38.215-114.670 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.096 38.948-113.433 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.524 39.081-115.155 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.835 36.204-115.944 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.307 37.089-116.411 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.437 35.510-115.599 1.00 0.82 H new ATOM 372 N PRO A 38 67.636 37.992-111.518 1.00 0.57 N ATOM 373 CA PRO A 38 68.972 38.585-111.251 1.00 0.66 C ATOM 374 C PRO A 38 69.593 39.147-112.519 1.00 0.58 C ATOM 375 O PRO A 38 69.297 38.697-113.598 1.00 0.52 O ATOM 376 CB PRO A 38 69.766 37.381-110.747 1.00 0.81 C ATOM 377 CG PRO A 38 68.770 36.268-110.382 1.00 0.82 C ATOM 378 CD PRO A 38 67.382 36.660-110.911 1.00 0.69 C ATOM 0 HA PRO A 38 68.942 39.420-110.552 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.459 37.035-111.514 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.364 37.656-109.878 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.086 35.320-110.816 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.738 36.129-109.301 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.010 35.944-111.644 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.643 36.712-110.112 1.00 0.69 H new ATOM 386 N PRO A 39 70.452 40.116-112.397 1.00 0.62 N ATOM 387 CA PRO A 39 71.098 40.704-113.590 1.00 0.60 C ATOM 388 C PRO A 39 71.647 39.616-114.511 1.00 0.53 C ATOM 389 O PRO A 39 71.370 39.583-115.682 1.00 0.51 O ATOM 390 CB PRO A 39 72.224 41.536-112.974 1.00 0.74 C ATOM 391 CG PRO A 39 72.019 41.588-111.452 1.00 0.81 C ATOM 392 CD PRO A 39 70.840 40.680-111.082 1.00 0.74 C ATOM 0 HA PRO A 39 70.420 41.286-114.214 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.193 41.096-113.210 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.222 42.543-113.391 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.923 41.261-110.938 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.822 42.611-111.132 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.131 39.902-110.376 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.025 41.239-110.622 1.00 0.74 H new ATOM 400 N VAL A 40 72.450 38.749-113.979 1.00 0.52 N ATOM 401 CA VAL A 40 73.067 37.667-114.795 1.00 0.47 C ATOM 402 C VAL A 40 71.990 36.937-115.592 1.00 0.41 C ATOM 403 O VAL A 40 72.044 36.839-116.811 1.00 0.37 O ATOM 404 CB VAL A 40 73.766 36.681-113.853 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.764 35.649-113.330 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.895 35.967-114.600 1.00 0.50 C ATOM 0 H VAL A 40 72.713 38.741-112.993 1.00 0.52 H new ATOM 0 HA VAL A 40 73.788 38.096-115.490 1.00 0.47 H new ATOM 0 HB VAL A 40 74.180 37.233-113.009 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.273 34.954-112.662 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.968 36.158-112.787 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.337 35.099-114.169 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.390 35.267-113.928 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.482 35.424-115.450 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.618 36.702-114.955 1.00 0.50 H new ATOM 416 N ARG A 41 70.997 36.442-114.922 1.00 0.42 N ATOM 417 CA ARG A 41 69.908 35.730-115.635 1.00 0.40 C ATOM 418 C ARG A 41 69.115 36.754-116.429 1.00 0.34 C ATOM 419 O ARG A 41 68.443 36.433-117.392 1.00 0.30 O ATOM 420 CB ARG A 41 68.990 35.047-114.619 1.00 0.46 C ATOM 421 CG ARG A 41 69.273 33.543-114.600 1.00 0.87 C ATOM 422 CD ARG A 41 68.140 32.823-113.865 1.00 1.00 C ATOM 423 NE ARG A 41 68.711 31.876-112.862 1.00 1.53 N ATOM 424 CZ ARG A 41 69.757 31.148-113.155 1.00 2.18 C ATOM 425 NH1 ARG A 41 70.276 31.192-114.351 1.00 2.54 N ATOM 426 NH2 ARG A 41 70.271 30.358-112.252 1.00 3.12 N ATOM 0 H ARG A 41 70.890 36.499-113.909 1.00 0.42 H new ATOM 0 HA ARG A 41 70.323 34.973-116.300 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.150 35.470-113.627 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.947 35.228-114.878 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.359 33.165-115.619 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.225 33.347-114.106 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.497 33.549-113.368 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.518 32.281-114.578 1.00 1.00 H new ATOM 0 HE ARG A 41 68.282 31.796-111.940 1.00 1.53 H new ATOM 0 HH11 ARG A 41 69.866 31.796-115.063 1.00 2.54 H new ATOM 0 HH12 ARG A 41 71.092 30.622-114.574 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.857 30.310-111.321 1.00 3.12 H new ATOM 0 HH22 ARG A 41 71.087 29.789-112.477 1.00 3.12 H new ATOM 440 N LEU A 42 69.198 37.994-116.037 1.00 0.35 N ATOM 441 CA LEU A 42 68.453 39.035-116.780 1.00 0.30 C ATOM 442 C LEU A 42 69.263 39.421-118.007 1.00 0.31 C ATOM 443 O LEU A 42 68.729 39.892-118.980 1.00 0.49 O ATOM 444 CB LEU A 42 68.192 40.254-115.897 1.00 0.32 C ATOM 445 CG LEU A 42 66.916 40.948-116.382 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.686 40.205-115.866 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.880 42.382-115.851 1.00 0.60 C ATOM 0 H LEU A 42 69.745 38.325-115.242 1.00 0.35 H new ATOM 0 HA LEU A 42 67.483 38.644-117.086 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.084 39.950-114.856 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.037 40.941-115.943 1.00 0.32 H new ATOM 0 HG LEU A 42 66.912 40.951-117.472 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.784 40.707-116.217 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.698 39.180-116.236 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.696 40.197-114.776 1.00 0.43 H new ATOM 0 HD21 LEU A 42 65.972 42.875-116.197 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.893 42.367-114.761 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.750 42.927-116.216 1.00 0.60 H new ATOM 459 N ALA A 43 70.546 39.179-117.995 1.00 0.30 N ATOM 460 CA ALA A 43 71.360 39.476-119.192 1.00 0.30 C ATOM 461 C ALA A 43 71.069 38.338-120.150 1.00 0.29 C ATOM 462 O ALA A 43 71.039 38.485-121.346 1.00 0.28 O ATOM 463 CB ALA A 43 72.845 39.490-118.821 1.00 0.36 C ATOM 0 H ALA A 43 71.059 38.788-117.205 1.00 0.30 H new ATOM 0 HA ALA A 43 71.126 40.448-119.626 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.440 39.709-119.708 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.024 40.255-118.066 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.130 38.515-118.425 1.00 0.36 H new ATOM 469 N GLU A 44 70.834 37.190-119.590 1.00 0.30 N ATOM 470 CA GLU A 44 70.502 36.031-120.453 1.00 0.32 C ATOM 471 C GLU A 44 69.174 36.355-121.149 1.00 0.30 C ATOM 472 O GLU A 44 69.106 36.472-122.356 1.00 0.34 O ATOM 473 CB GLU A 44 70.358 34.766-119.605 1.00 0.37 C ATOM 474 CG GLU A 44 70.503 33.532-120.498 1.00 1.15 C ATOM 475 CD GLU A 44 71.977 33.326-120.851 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.816 33.752-120.075 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.241 32.747-121.891 1.00 2.80 O ATOM 0 H GLU A 44 70.857 37.005-118.587 1.00 0.30 H new ATOM 0 HA GLU A 44 71.290 35.853-121.184 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.116 34.752-118.822 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.387 34.757-119.109 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.115 32.652-119.986 1.00 1.15 H new ATOM 0 HG3 GLU A 44 69.915 33.657-121.407 1.00 1.15 H new ATOM 484 N LEU A 45 68.116 36.493-120.393 1.00 0.28 N ATOM 485 CA LEU A 45 66.779 36.798-121.001 1.00 0.29 C ATOM 486 C LEU A 45 66.773 38.193-121.648 1.00 0.24 C ATOM 487 O LEU A 45 66.130 38.413-122.654 1.00 0.25 O ATOM 488 CB LEU A 45 65.707 36.751-119.911 1.00 0.34 C ATOM 489 CG LEU A 45 64.333 37.004-120.534 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.639 35.668-120.810 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.482 37.826-119.567 1.00 0.77 C ATOM 0 H LEU A 45 68.117 36.408-119.377 1.00 0.28 H new ATOM 0 HA LEU A 45 66.573 36.055-121.771 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.720 35.780-119.415 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.916 37.501-119.148 1.00 0.34 H new ATOM 0 HG LEU A 45 64.455 37.549-121.470 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.660 35.851-121.254 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.245 35.079-121.498 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.517 35.121-119.875 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.502 38.008-120.009 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.363 37.279-118.632 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.973 38.779-119.370 1.00 0.77 H new ATOM 503 N HIS A 46 67.497 39.127-121.098 1.00 0.21 N ATOM 504 CA HIS A 46 67.537 40.490-121.713 1.00 0.20 C ATOM 505 C HIS A 46 68.374 40.421-122.991 1.00 0.19 C ATOM 506 O HIS A 46 67.958 40.848-124.050 1.00 0.21 O ATOM 507 CB HIS A 46 68.169 41.491-120.742 1.00 0.23 C ATOM 508 CG HIS A 46 68.109 42.873-121.338 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.065 43.746-121.529 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.235 43.517-121.823 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.535 44.913-122.124 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.848 44.723-122.278 1.00 0.31 N flip ATOM 0 H HIS A 46 68.060 39.011-120.256 1.00 0.21 H new ATOM 0 HA HIS A 46 66.523 40.819-121.941 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.642 41.471-119.788 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.204 41.215-120.540 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.094 43.566-121.274 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.241 43.123-121.834 1.00 0.27 H new ATOM 0 HE1 HIS A 46 66.961 45.785-122.402 1.00 0.35 H new ATOM 520 N ALA A 47 69.549 39.870-122.890 1.00 0.19 N ATOM 521 CA ALA A 47 70.441 39.742-124.076 1.00 0.22 C ATOM 522 C ALA A 47 69.704 38.985-125.174 1.00 0.21 C ATOM 523 O ALA A 47 69.507 39.483-126.264 1.00 0.22 O ATOM 524 CB ALA A 47 71.696 38.959-123.682 1.00 0.27 C ATOM 0 H ALA A 47 69.936 39.497-122.023 1.00 0.19 H new ATOM 0 HA ALA A 47 70.723 40.732-124.434 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.352 38.863-124.547 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.220 39.488-122.886 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.411 37.967-123.331 1.00 0.27 H new ATOM 530 N ASP A 48 69.284 37.786-124.888 1.00 0.22 N ATOM 531 CA ASP A 48 68.545 37.001-125.911 1.00 0.25 C ATOM 532 C ASP A 48 67.369 37.843-126.395 1.00 0.22 C ATOM 533 O ASP A 48 67.175 38.042-127.576 1.00 0.25 O ATOM 534 CB ASP A 48 68.027 35.701-125.292 1.00 0.28 C ATOM 535 CG ASP A 48 69.211 34.853-124.822 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.319 35.130-125.249 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.988 33.941-124.042 1.00 0.94 O ATOM 0 H ASP A 48 69.420 37.317-123.992 1.00 0.22 H new ATOM 0 HA ASP A 48 69.203 36.753-126.744 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.368 35.923-124.452 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.437 35.148-126.022 1.00 0.28 H new ATOM 542 N LEU A 49 66.596 38.356-125.481 1.00 0.19 N ATOM 543 CA LEU A 49 65.447 39.203-125.889 1.00 0.19 C ATOM 544 C LEU A 49 65.962 40.256-126.870 1.00 0.18 C ATOM 545 O LEU A 49 65.326 40.558-127.861 1.00 0.19 O ATOM 546 CB LEU A 49 64.825 39.875-124.663 1.00 0.18 C ATOM 547 CG LEU A 49 63.795 38.929-124.039 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.138 39.607-122.837 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.723 38.582-125.075 1.00 0.89 C ATOM 0 H LEU A 49 66.710 38.226-124.476 1.00 0.19 H new ATOM 0 HA LEU A 49 64.678 38.594-126.363 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.599 40.120-123.936 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.349 40.813-124.950 1.00 0.18 H new ATOM 0 HG LEU A 49 64.295 38.017-123.713 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.405 38.932-122.394 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.899 39.852-122.097 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.640 40.521-123.162 1.00 1.06 H new ATOM 0 HD21 LEU A 49 61.991 37.909-124.629 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.225 39.494-125.403 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.189 38.095-125.932 1.00 0.89 H new ATOM 561 N LYS A 50 67.131 40.794-126.627 1.00 0.20 N ATOM 562 CA LYS A 50 67.690 41.793-127.578 1.00 0.21 C ATOM 563 C LYS A 50 67.953 41.072-128.896 1.00 0.23 C ATOM 564 O LYS A 50 67.450 41.439-129.935 1.00 0.24 O ATOM 565 CB LYS A 50 69.004 42.359-127.031 1.00 0.24 C ATOM 566 CG LYS A 50 68.776 42.934-125.632 1.00 0.36 C ATOM 567 CD LYS A 50 69.251 44.388-125.592 1.00 0.84 C ATOM 568 CE LYS A 50 70.780 44.424-125.525 1.00 1.09 C ATOM 569 NZ LYS A 50 71.276 45.670-126.175 1.00 1.84 N ATOM 0 H LYS A 50 67.715 40.585-125.818 1.00 0.20 H new ATOM 0 HA LYS A 50 66.992 42.618-127.719 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.761 41.575-126.994 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.382 43.135-127.696 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.719 42.879-125.373 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.317 42.344-124.892 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.903 44.920-126.477 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.826 44.897-124.727 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.110 44.386-124.487 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.197 43.550-126.024 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.315 45.695-126.130 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.972 45.687-127.169 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.888 46.498-125.680 1.00 1.84 H new ATOM 583 N ILE A 51 68.739 40.037-128.852 1.00 0.25 N ATOM 584 CA ILE A 51 69.018 39.294-130.107 1.00 0.27 C ATOM 585 C ILE A 51 67.681 39.158-130.833 1.00 0.26 C ATOM 586 O ILE A 51 67.502 39.646-131.941 1.00 0.25 O ATOM 587 CB ILE A 51 69.578 37.907-129.781 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.098 37.999-129.621 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.243 36.940-130.917 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.436 39.005-128.520 1.00 0.30 C ATOM 0 H ILE A 51 69.195 39.677-128.014 1.00 0.25 H new ATOM 0 HA ILE A 51 69.753 39.815-130.721 1.00 0.27 H new ATOM 0 HB ILE A 51 69.134 37.544-128.854 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.508 37.020-129.372 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.555 38.306-130.562 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.642 35.953-130.684 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.161 36.876-131.033 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.687 37.301-131.845 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.518 39.070-128.406 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.040 39.984-128.788 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.992 38.678-127.580 1.00 0.30 H new ATOM 602 N GLN A 52 66.719 38.538-130.205 1.00 0.26 N ATOM 603 CA GLN A 52 65.390 38.420-130.844 1.00 0.27 C ATOM 604 C GLN A 52 64.907 39.825-131.201 1.00 0.24 C ATOM 605 O GLN A 52 64.104 39.999-132.084 1.00 0.26 O ATOM 606 CB GLN A 52 64.406 37.769-129.871 1.00 0.32 C ATOM 607 CG GLN A 52 63.272 37.108-130.658 1.00 0.45 C ATOM 608 CD GLN A 52 63.765 35.784-131.242 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.784 34.777-130.562 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.171 35.742-132.481 1.00 0.48 N ATOM 0 H GLN A 52 66.801 38.112-129.282 1.00 0.26 H new ATOM 0 HA GLN A 52 65.456 37.804-131.741 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.920 37.027-129.260 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.002 38.518-129.190 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.415 36.935-130.007 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.936 37.768-131.457 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.155 36.587-133.052 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.504 34.864-132.879 1.00 0.48 H new ATOM 619 N GLU A 53 65.385 40.832-130.509 1.00 0.23 N ATOM 620 CA GLU A 53 64.942 42.219-130.831 1.00 0.23 C ATOM 621 C GLU A 53 65.598 42.668-132.134 1.00 0.20 C ATOM 622 O GLU A 53 65.021 43.397-132.908 1.00 0.21 O ATOM 623 CB GLU A 53 65.344 43.193-129.729 1.00 0.25 C ATOM 624 CG GLU A 53 64.923 44.604-130.148 1.00 0.28 C ATOM 625 CD GLU A 53 66.146 45.523-130.161 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.234 45.027-130.402 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.975 46.709-129.930 1.00 1.09 O ATOM 0 H GLU A 53 66.055 40.752-129.744 1.00 0.23 H new ATOM 0 HA GLU A 53 63.856 42.216-130.924 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.866 42.919-128.789 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.420 43.153-129.563 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.464 44.579-131.136 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.173 44.990-129.458 1.00 0.28 H new ATOM 634 N ARG A 54 66.802 42.241-132.388 1.00 0.22 N ATOM 635 CA ARG A 54 67.476 42.645-133.648 1.00 0.22 C ATOM 636 C ARG A 54 66.783 41.935-134.801 1.00 0.20 C ATOM 637 O ARG A 54 66.645 42.457-135.892 1.00 0.21 O ATOM 638 CB ARG A 54 68.938 42.211-133.598 1.00 0.24 C ATOM 639 CG ARG A 54 69.721 43.169-132.705 1.00 0.27 C ATOM 640 CD ARG A 54 71.186 43.198-133.144 1.00 0.85 C ATOM 641 NE ARG A 54 71.855 41.934-132.725 1.00 1.55 N ATOM 642 CZ ARG A 54 73.009 41.604-133.239 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.576 42.382-134.119 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.594 40.497-132.871 1.00 3.03 N ATOM 0 H ARG A 54 67.346 41.631-131.778 1.00 0.22 H new ATOM 0 HA ARG A 54 67.425 43.726-133.778 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.014 41.194-133.213 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.361 42.204-134.602 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.293 44.170-132.765 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.649 42.853-131.664 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.250 43.315-134.226 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.693 44.055-132.700 1.00 0.85 H new ATOM 0 HE ARG A 54 71.411 41.326-132.036 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.118 43.247-134.405 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.478 42.125-134.521 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.150 39.890-132.182 1.00 3.03 H new ATOM 0 HH22 ARG A 54 74.495 40.239-133.272 1.00 3.03 H new ATOM 658 N ASP A 55 66.317 40.752-134.539 1.00 0.20 N ATOM 659 CA ASP A 55 65.595 39.983-135.592 1.00 0.21 C ATOM 660 C ASP A 55 64.131 40.433-135.622 1.00 0.21 C ATOM 661 O ASP A 55 63.514 40.531-136.668 1.00 0.20 O ATOM 662 CB ASP A 55 65.666 38.488-135.274 1.00 0.25 C ATOM 663 CG ASP A 55 67.106 37.999-135.437 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.955 38.813-135.763 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.338 36.818-135.234 1.00 0.84 O ATOM 0 H ASP A 55 66.403 40.279-133.639 1.00 0.20 H new ATOM 0 HA ASP A 55 66.056 40.165-136.563 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.322 38.305-134.256 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.005 37.932-135.939 1.00 0.25 H new ATOM 670 N GLU A 56 63.580 40.740-134.481 1.00 0.27 N ATOM 671 CA GLU A 56 62.170 41.206-134.427 1.00 0.32 C ATOM 672 C GLU A 56 62.108 42.602-135.018 1.00 0.30 C ATOM 673 O GLU A 56 61.304 42.887-135.879 1.00 0.31 O ATOM 674 CB GLU A 56 61.685 41.236-132.976 1.00 0.39 C ATOM 675 CG GLU A 56 61.550 39.805-132.453 1.00 0.44 C ATOM 676 CD GLU A 56 60.069 39.422-132.391 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.541 39.012-133.411 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.491 39.546-131.325 1.00 1.72 O ATOM 0 H GLU A 56 64.051 40.687-133.578 1.00 0.27 H new ATOM 0 HA GLU A 56 61.530 40.528-134.992 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.387 41.795-132.358 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.726 41.750-132.913 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.088 39.116-133.104 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.999 39.724-131.463 1.00 0.44 H new ATOM 685 N LEU A 57 62.973 43.473-134.594 1.00 0.30 N ATOM 686 CA LEU A 57 62.972 44.831-135.179 1.00 0.32 C ATOM 687 C LEU A 57 63.301 44.677-136.659 1.00 0.28 C ATOM 688 O LEU A 57 62.599 45.167-137.518 1.00 0.29 O ATOM 689 CB LEU A 57 64.032 45.700-134.500 1.00 0.36 C ATOM 690 CG LEU A 57 63.450 46.322-133.230 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.588 46.771-132.312 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.592 47.534-133.605 1.00 1.22 C ATOM 0 H LEU A 57 63.675 43.304-133.873 1.00 0.30 H new ATOM 0 HA LEU A 57 62.004 45.312-135.039 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.907 45.098-134.254 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.365 46.483-135.181 1.00 0.36 H new ATOM 0 HG LEU A 57 62.836 45.584-132.713 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.172 47.214-131.407 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.202 45.910-132.046 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.202 47.509-132.828 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.176 47.979-132.701 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.208 48.270-134.121 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.780 47.217-134.260 1.00 1.22 H new ATOM 704 N ALA A 58 64.348 43.954-136.973 1.00 0.25 N ATOM 705 CA ALA A 58 64.673 43.736-138.404 1.00 0.24 C ATOM 706 C ALA A 58 63.411 43.189-139.062 1.00 0.21 C ATOM 707 O ALA A 58 63.150 43.392-140.235 1.00 0.21 O ATOM 708 CB ALA A 58 65.810 42.720-138.532 1.00 0.24 C ATOM 0 H ALA A 58 64.981 43.513-136.305 1.00 0.25 H new ATOM 0 HA ALA A 58 64.994 44.663-138.879 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.043 42.565-139.586 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.694 43.096-138.017 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.505 41.774-138.085 1.00 0.24 H new ATOM 714 N TRP A 59 62.592 42.536-138.282 1.00 0.19 N ATOM 715 CA TRP A 59 61.323 42.025-138.847 1.00 0.18 C ATOM 716 C TRP A 59 60.388 43.212-139.074 1.00 0.20 C ATOM 717 O TRP A 59 59.989 43.490-140.187 1.00 0.30 O ATOM 718 CB TRP A 59 60.646 41.014-137.927 1.00 0.19 C ATOM 719 CG TRP A 59 59.460 40.487-138.660 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.494 39.498-139.579 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.076 40.927-138.580 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.223 39.306-140.079 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.308 40.161-139.488 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.419 41.905-137.814 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.934 40.361-139.632 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.038 42.108-137.954 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.297 41.339-138.861 1.00 0.39 C ATOM 0 H TRP A 59 62.748 42.339-137.293 1.00 0.19 H new ATOM 0 HA TRP A 59 61.545 41.511-139.782 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.331 40.206-137.670 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.344 41.485-136.992 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.374 38.947-139.875 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.986 38.619-140.795 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.981 42.504-137.113 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.368 39.766-140.333 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.543 42.861-137.359 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.234 41.501-138.965 1.00 0.39 H new ATOM 738 N LYS A 60 60.019 43.915-138.032 1.00 0.27 N ATOM 739 CA LYS A 60 59.103 45.066-138.239 1.00 0.30 C ATOM 740 C LYS A 60 59.580 45.815-139.484 1.00 0.29 C ATOM 741 O LYS A 60 58.791 46.324-140.262 1.00 0.31 O ATOM 742 CB LYS A 60 59.120 45.989-137.014 1.00 0.38 C ATOM 743 CG LYS A 60 60.288 46.973-137.108 1.00 0.42 C ATOM 744 CD LYS A 60 59.808 48.274-137.756 1.00 1.08 C ATOM 745 CE LYS A 60 59.513 49.308-136.667 1.00 1.53 C ATOM 746 NZ LYS A 60 59.168 50.612-137.301 1.00 2.27 N ATOM 0 H LYS A 60 60.308 43.743-137.069 1.00 0.27 H new ATOM 0 HA LYS A 60 58.078 44.721-138.374 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.179 46.536-136.949 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.208 45.396-136.104 1.00 0.38 H new ATOM 0 HG2 LYS A 60 60.688 47.175-136.114 1.00 0.42 H new ATOM 0 HG3 LYS A 60 61.097 46.539-137.695 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.568 48.655-138.438 1.00 1.08 H new ATOM 0 HD3 LYS A 60 58.912 48.089-138.349 1.00 1.08 H new ATOM 0 HE2 LYS A 60 58.689 48.967-136.040 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.380 49.425-136.017 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 59.426 51.389-136.659 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.691 50.713-138.194 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.146 50.645-137.492 1.00 2.27 H new ATOM 760 N LYS A 61 60.870 45.852-139.706 1.00 0.28 N ATOM 761 CA LYS A 61 61.390 46.531-140.920 1.00 0.30 C ATOM 762 C LYS A 61 61.149 45.617-142.117 1.00 0.27 C ATOM 763 O LYS A 61 60.949 46.075-143.224 1.00 0.35 O ATOM 764 CB LYS A 61 62.887 46.806-140.779 1.00 0.35 C ATOM 765 CG LYS A 61 63.144 47.619-139.509 1.00 0.40 C ATOM 766 CD LYS A 61 64.591 48.118-139.507 1.00 0.77 C ATOM 767 CE LYS A 61 64.961 48.604-138.104 1.00 1.42 C ATOM 768 NZ LYS A 61 65.285 47.431-137.242 1.00 2.43 N ATOM 0 H LYS A 61 61.579 45.441-139.098 1.00 0.28 H new ATOM 0 HA LYS A 61 60.878 47.484-141.056 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.437 45.866-140.738 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.250 47.350-141.651 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.457 48.464-139.460 1.00 0.40 H new ATOM 0 HG3 LYS A 61 62.958 47.005-138.628 1.00 0.40 H new ATOM 0 HD2 LYS A 61 65.263 47.317-139.815 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.709 48.928-140.227 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.815 49.279-138.155 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.134 49.168-137.673 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 65.602 47.763-136.309 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 64.438 46.838-137.129 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.042 46.872-137.686 1.00 2.43 H new ATOM 782 N LEU A 62 61.122 44.322-141.907 1.00 0.24 N ATOM 783 CA LEU A 62 60.840 43.400-143.040 1.00 0.24 C ATOM 784 C LEU A 62 59.412 43.656-143.499 1.00 0.24 C ATOM 785 O LEU A 62 59.159 44.057-144.617 1.00 0.26 O ATOM 786 CB LEU A 62 60.926 41.945-142.570 1.00 0.24 C ATOM 787 CG LEU A 62 62.362 41.431-142.671 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.569 40.311-141.651 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.603 40.876-144.076 1.00 0.41 C ATOM 0 H LEU A 62 61.282 43.872-141.006 1.00 0.24 H new ATOM 0 HA LEU A 62 61.562 43.569-143.839 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.578 41.869-141.540 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.268 41.322-143.175 1.00 0.24 H new ATOM 0 HG LEU A 62 63.057 42.247-142.472 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.592 39.941-141.719 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.388 40.695-140.647 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.874 39.497-141.858 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.626 40.509-144.151 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.909 40.058-144.268 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.446 41.665-144.811 1.00 0.41 H new ATOM 801 N LYS A 63 58.473 43.417-142.624 1.00 0.24 N ATOM 802 CA LYS A 63 57.050 43.635-142.979 1.00 0.26 C ATOM 803 C LYS A 63 56.875 45.069-143.474 1.00 0.29 C ATOM 804 O LYS A 63 56.055 45.340-144.330 1.00 0.30 O ATOM 805 CB LYS A 63 56.167 43.411-141.748 1.00 0.34 C ATOM 806 CG LYS A 63 56.118 44.692-140.913 1.00 0.46 C ATOM 807 CD LYS A 63 55.301 44.446-139.644 1.00 0.41 C ATOM 808 CE LYS A 63 54.316 45.598-139.437 1.00 0.58 C ATOM 809 NZ LYS A 63 53.631 45.436-138.124 1.00 1.20 N ATOM 0 H LYS A 63 58.636 43.079-141.676 1.00 0.24 H new ATOM 0 HA LYS A 63 56.758 42.933-143.760 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.161 43.127-142.056 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.561 42.589-141.150 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.128 45.007-140.652 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.673 45.500-141.494 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.761 43.502-139.724 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.964 44.362-138.783 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.843 46.552-139.469 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.582 45.612-140.243 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.961 46.219-137.983 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.116 44.533-138.110 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.337 45.443-137.361 1.00 1.20 H new ATOM 823 N LEU A 64 57.636 45.997-142.949 1.00 0.33 N ATOM 824 CA LEU A 64 57.506 47.410-143.398 1.00 0.43 C ATOM 825 C LEU A 64 58.032 47.562-144.825 1.00 0.52 C ATOM 826 O LEU A 64 57.377 48.123-145.681 1.00 0.75 O ATOM 827 CB LEU A 64 58.322 48.295-142.453 1.00 0.38 C ATOM 828 CG LEU A 64 57.460 48.713-141.261 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.283 49.595-140.320 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.247 49.502-141.762 1.00 1.23 C ATOM 0 H LEU A 64 58.340 45.834-142.229 1.00 0.33 H new ATOM 0 HA LEU A 64 56.457 47.705-143.382 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.203 47.756-142.105 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.678 49.178-142.984 1.00 0.38 H new ATOM 0 HG LEU A 64 57.124 47.824-140.727 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.669 49.893-139.470 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.149 49.038-139.964 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.618 50.484-140.855 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.631 49.801-140.913 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.586 50.390-142.295 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.659 48.877-142.435 1.00 1.23 H new ATOM 842 N ASP A 65 59.212 47.077-145.087 1.00 0.45 N ATOM 843 CA ASP A 65 59.783 47.205-146.458 1.00 0.60 C ATOM 844 C ASP A 65 59.085 46.229-147.405 1.00 0.96 C ATOM 845 O ASP A 65 59.266 46.283-148.605 1.00 0.98 O ATOM 846 CB ASP A 65 61.280 46.891-146.415 1.00 0.53 C ATOM 847 CG ASP A 65 62.009 47.975-145.619 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.404 49.004-145.366 1.00 1.31 O ATOM 849 OD2 ASP A 65 63.160 47.759-145.278 1.00 1.14 O ATOM 0 H ASP A 65 59.807 46.597-144.412 1.00 0.45 H new ATOM 0 HA ASP A 65 59.631 48.223-146.817 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.444 45.916-145.956 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.680 46.838-147.428 1.00 0.53 H new ATOM 854 N GLY A 66 58.283 45.343-146.883 1.00 1.30 N ATOM 855 CA GLY A 66 57.574 44.375-147.765 1.00 1.72 C ATOM 856 C GLY A 66 58.515 43.234-148.157 1.00 0.91 C ATOM 857 O GLY A 66 58.738 42.978-149.323 1.00 1.14 O ATOM 0 H GLY A 66 58.088 45.248-145.886 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.700 43.975-147.251 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.213 44.883-148.659 1.00 1.72 H new ATOM 861 N LEU A 67 59.057 42.531-147.198 1.00 0.37 N ATOM 862 CA LEU A 67 59.963 41.400-147.533 1.00 1.03 C ATOM 863 C LEU A 67 59.266 40.084-147.187 1.00 0.91 C ATOM 864 O LEU A 67 59.300 39.136-147.946 1.00 1.09 O ATOM 865 CB LEU A 67 61.272 41.536-146.756 1.00 1.69 C ATOM 866 CG LEU A 67 62.242 42.410-147.561 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.106 43.249-146.616 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.145 41.513-148.410 1.00 2.68 C ATOM 0 H LEU A 67 58.911 42.692-146.201 1.00 0.37 H new ATOM 0 HA LEU A 67 60.194 41.413-148.598 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.085 41.982-145.779 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.709 40.553-146.579 1.00 1.69 H new ATOM 0 HG LEU A 67 61.669 43.077-148.205 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.790 43.865-147.199 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.466 43.891-146.011 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.678 42.589-145.964 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.836 42.131-148.984 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.710 40.845-147.759 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.534 40.923-149.093 1.00 2.68 H new ATOM 880 N ASP A 68 58.573 40.042-146.083 1.00 0.69 N ATOM 881 CA ASP A 68 57.798 38.822-145.718 1.00 0.59 C ATOM 882 C ASP A 68 56.324 39.197-145.856 1.00 0.59 C ATOM 883 O ASP A 68 55.839 40.023-145.110 1.00 0.59 O ATOM 884 CB ASP A 68 58.106 38.423-144.268 1.00 0.53 C ATOM 885 CG ASP A 68 57.662 36.980-144.038 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.809 36.181-144.949 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.180 36.697-142.955 1.00 0.97 O ATOM 0 H ASP A 68 58.510 40.807-145.412 1.00 0.69 H new ATOM 0 HA ASP A 68 58.055 37.978-146.358 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.173 38.524-144.070 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.589 39.089-143.577 1.00 0.53 H new ATOM 892 N GLU A 69 55.585 38.643-146.781 1.00 0.63 N ATOM 893 CA GLU A 69 54.157 39.045-146.891 1.00 0.69 C ATOM 894 C GLU A 69 53.278 38.161-146.007 1.00 0.71 C ATOM 895 O GLU A 69 52.083 38.362-145.925 1.00 0.77 O ATOM 896 CB GLU A 69 53.706 38.911-148.347 1.00 0.73 C ATOM 897 CG GLU A 69 53.942 37.478-148.825 1.00 0.75 C ATOM 898 CD GLU A 69 53.732 37.403-150.338 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.278 38.385-150.903 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.027 36.365-150.907 1.00 1.82 O ATOM 0 H GLU A 69 55.902 37.943-147.452 1.00 0.63 H new ATOM 0 HA GLU A 69 54.058 40.079-146.561 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.650 39.166-148.437 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.257 39.611-148.975 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.954 37.161-148.572 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.258 36.797-148.318 1.00 0.75 H new ATOM 907 N ASP A 70 53.837 37.186-145.342 1.00 0.72 N ATOM 908 CA ASP A 70 52.996 36.312-144.477 1.00 0.78 C ATOM 909 C ASP A 70 53.529 36.377-143.048 1.00 0.69 C ATOM 910 O ASP A 70 52.972 35.799-142.135 1.00 0.84 O ATOM 911 CB ASP A 70 53.063 34.870-144.985 1.00 0.83 C ATOM 912 CG ASP A 70 52.842 34.851-146.498 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.917 35.508-146.950 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.599 34.181-147.180 1.00 1.34 O ATOM 0 H ASP A 70 54.831 36.959-145.360 1.00 0.72 H new ATOM 0 HA ASP A 70 51.960 36.651-144.502 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.032 34.433-144.743 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.306 34.263-144.489 1.00 0.83 H new ATOM 919 N GLY A 71 54.592 37.102-142.846 1.00 0.50 N ATOM 920 CA GLY A 71 55.162 37.244-141.480 1.00 0.43 C ATOM 921 C GLY A 71 55.743 35.919-140.974 1.00 0.34 C ATOM 922 O GLY A 71 55.711 35.649-139.790 1.00 0.31 O ATOM 0 H GLY A 71 55.095 37.607-143.576 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.942 38.005-141.487 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.387 37.588-140.795 1.00 0.43 H new ATOM 926 N GLU A 72 56.297 35.093-141.825 1.00 0.36 N ATOM 927 CA GLU A 72 56.880 33.827-141.295 1.00 0.34 C ATOM 928 C GLU A 72 58.141 34.196-140.513 1.00 0.30 C ATOM 929 O GLU A 72 58.302 33.835-139.367 1.00 0.30 O ATOM 930 CB GLU A 72 57.241 32.897-142.456 1.00 0.40 C ATOM 931 CG GLU A 72 57.913 31.635-141.910 1.00 1.23 C ATOM 932 CD GLU A 72 58.479 30.816-143.070 1.00 1.97 C ATOM 933 OE1 GLU A 72 58.369 31.267-144.199 1.00 2.64 O ATOM 934 OE2 GLU A 72 59.012 29.749-142.812 1.00 2.68 O ATOM 0 H GLU A 72 56.370 35.234-142.833 1.00 0.36 H new ATOM 0 HA GLU A 72 56.166 33.312-140.652 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.344 32.631-143.015 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.910 33.407-143.150 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.711 31.905-141.218 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.192 31.040-141.349 1.00 1.23 H new ATOM 941 N LYS A 73 59.032 34.927-141.126 1.00 0.31 N ATOM 942 CA LYS A 73 60.264 35.321-140.388 1.00 0.33 C ATOM 943 C LYS A 73 59.807 35.819-139.021 1.00 0.29 C ATOM 944 O LYS A 73 60.507 35.722-138.025 1.00 0.29 O ATOM 945 CB LYS A 73 61.026 36.420-141.133 1.00 0.38 C ATOM 946 CG LYS A 73 60.243 36.856-142.371 1.00 0.55 C ATOM 947 CD LYS A 73 60.473 35.848-143.501 1.00 1.07 C ATOM 948 CE LYS A 73 61.963 35.795-143.843 1.00 1.38 C ATOM 949 NZ LYS A 73 62.129 35.698-145.321 1.00 2.36 N ATOM 0 H LYS A 73 58.963 35.263-142.087 1.00 0.31 H new ATOM 0 HA LYS A 73 60.946 34.476-140.295 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.185 37.274-140.474 1.00 0.38 H new ATOM 0 HB3 LYS A 73 62.011 36.056-141.426 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.180 36.921-142.138 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.562 37.850-142.685 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.123 34.861-143.199 1.00 1.07 H new ATOM 0 HD3 LYS A 73 59.897 36.135-144.381 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.465 36.686-143.467 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.429 34.938-143.357 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.142 35.662-145.555 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 61.663 34.835-145.667 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 61.699 36.529-145.774 1.00 2.36 H new ATOM 963 N GLU A 74 58.585 36.269-138.961 1.00 0.28 N ATOM 964 CA GLU A 74 58.005 36.699-137.666 1.00 0.28 C ATOM 965 C GLU A 74 57.614 35.415-136.951 1.00 0.26 C ATOM 966 O GLU A 74 57.822 35.239-135.785 1.00 0.27 O ATOM 967 CB GLU A 74 56.755 37.538-137.913 1.00 0.31 C ATOM 968 CG GLU A 74 56.530 38.467-136.726 1.00 0.37 C ATOM 969 CD GLU A 74 55.052 38.453-136.333 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.238 38.111-137.176 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.758 38.784-135.197 1.00 1.14 O ATOM 0 H GLU A 74 57.961 36.357-139.763 1.00 0.28 H new ATOM 0 HA GLU A 74 58.708 37.298-137.087 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.868 38.119-138.828 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.890 36.890-138.052 1.00 0.31 H new ATOM 0 HG2 GLU A 74 57.143 38.150-135.883 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.839 39.481-136.982 1.00 0.37 H new ATOM 978 N ALA A 75 57.075 34.512-137.706 1.00 0.25 N ATOM 979 CA ALA A 75 56.696 33.198-137.127 1.00 0.27 C ATOM 980 C ALA A 75 57.937 32.682-136.426 1.00 0.26 C ATOM 981 O ALA A 75 57.975 32.559-135.222 1.00 0.27 O ATOM 982 CB ALA A 75 56.256 32.229-138.227 1.00 0.30 C ATOM 0 H ALA A 75 56.879 34.623-138.701 1.00 0.25 H new ATOM 0 HA ALA A 75 55.857 33.293-136.438 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.983 31.273-137.781 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.396 32.643-138.754 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.075 32.081-138.930 1.00 0.30 H new ATOM 988 N ARG A 76 58.960 32.388-137.167 1.00 0.28 N ATOM 989 CA ARG A 76 60.199 31.889-136.522 1.00 0.31 C ATOM 990 C ARG A 76 60.497 32.767-135.309 1.00 0.28 C ATOM 991 O ARG A 76 60.772 32.280-134.233 1.00 0.30 O ATOM 992 CB ARG A 76 61.365 31.959-137.511 1.00 0.35 C ATOM 993 CG ARG A 76 61.171 30.908-138.606 1.00 0.66 C ATOM 994 CD ARG A 76 62.519 30.596-139.259 1.00 1.00 C ATOM 995 NE ARG A 76 63.416 29.947-138.260 1.00 1.51 N ATOM 996 CZ ARG A 76 64.495 29.331-138.657 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.791 29.284-139.927 1.00 2.34 N ATOM 998 NH2 ARG A 76 65.280 28.761-137.783 1.00 3.14 N ATOM 0 H ARG A 76 58.994 32.470-138.183 1.00 0.28 H new ATOM 0 HA ARG A 76 60.067 30.852-136.212 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.421 32.954-137.953 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.307 31.788-136.991 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.742 30.000-138.182 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.468 31.273-139.355 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.376 29.939-140.117 1.00 1.00 H new ATOM 0 HD3 ARG A 76 62.975 31.513-139.632 1.00 1.00 H new ATOM 0 HE ARG A 76 63.186 29.985-137.267 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.178 29.729-140.610 1.00 2.34 H new ATOM 0 HH12 ARG A 76 65.635 28.802-140.236 1.00 2.34 H new ATOM 0 HH21 ARG A 76 65.049 28.798-136.790 1.00 3.14 H new ATOM 0 HH22 ARG A 76 66.124 28.279-138.093 1.00 3.14 H new ATOM 1012 N LEU A 77 60.439 34.059-135.472 1.00 0.30 N ATOM 1013 CA LEU A 77 60.715 34.959-134.313 1.00 0.31 C ATOM 1014 C LEU A 77 59.779 34.601-133.154 1.00 0.29 C ATOM 1015 O LEU A 77 60.212 34.245-132.078 1.00 0.30 O ATOM 1016 CB LEU A 77 60.487 36.413-134.725 1.00 0.35 C ATOM 1017 CG LEU A 77 61.667 36.890-135.572 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.305 38.206-136.260 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.885 37.106-134.671 1.00 0.38 C ATOM 0 H LEU A 77 60.215 34.530-136.349 1.00 0.30 H new ATOM 0 HA LEU A 77 61.750 34.833-133.996 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.559 36.501-135.291 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.382 37.041-133.841 1.00 0.35 H new ATOM 0 HG LEU A 77 61.899 36.138-136.326 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.147 38.545-136.863 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.437 38.054-136.901 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.073 38.959-135.507 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.727 37.446-135.273 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.651 37.858-133.917 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.145 36.168-134.180 1.00 0.38 H new ATOM 1031 N ILE A 78 58.499 34.693-133.376 1.00 0.29 N ATOM 1032 CA ILE A 78 57.510 34.360-132.311 1.00 0.32 C ATOM 1033 C ILE A 78 57.828 32.991-131.731 1.00 0.30 C ATOM 1034 O ILE A 78 57.849 32.806-130.539 1.00 0.32 O ATOM 1035 CB ILE A 78 56.113 34.336-132.915 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.751 35.748-133.354 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.109 33.849-131.867 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.973 35.686-134.662 1.00 0.37 C ATOM 0 H ILE A 78 58.089 34.989-134.262 1.00 0.29 H new ATOM 0 HA ILE A 78 57.559 35.110-131.521 1.00 0.32 H new ATOM 0 HB ILE A 78 56.087 33.661-133.771 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.153 36.238-132.585 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.655 36.344-133.483 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.109 33.832-132.301 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.380 32.844-131.542 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.122 34.523-131.010 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.712 36.696-134.979 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.587 35.212-135.428 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.062 35.105-134.516 1.00 0.37 H new ATOM 1050 N ARG A 79 58.097 32.037-132.569 1.00 0.29 N ATOM 1051 CA ARG A 79 58.445 30.680-132.043 1.00 0.32 C ATOM 1052 C ARG A 79 59.735 30.801-131.228 1.00 0.26 C ATOM 1053 O ARG A 79 59.907 30.151-130.219 1.00 0.26 O ATOM 1054 CB ARG A 79 58.661 29.702-133.200 1.00 0.38 C ATOM 1055 CG ARG A 79 57.667 30.004-134.318 1.00 0.39 C ATOM 1056 CD ARG A 79 56.942 28.719-134.722 1.00 0.39 C ATOM 1057 NE ARG A 79 56.231 28.934-136.013 1.00 1.50 N ATOM 1058 CZ ARG A 79 55.799 27.911-136.699 1.00 2.14 C ATOM 1059 NH1 ARG A 79 55.993 26.699-136.255 1.00 2.28 N ATOM 1060 NH2 ARG A 79 55.174 28.100-137.830 1.00 3.27 N ATOM 0 H ARG A 79 58.093 32.128-133.585 1.00 0.29 H new ATOM 0 HA ARG A 79 57.632 30.305-131.421 1.00 0.32 H new ATOM 0 HB2 ARG A 79 59.681 29.786-133.574 1.00 0.38 H new ATOM 0 HB3 ARG A 79 58.532 28.677-132.852 1.00 0.38 H new ATOM 0 HG2 ARG A 79 56.946 30.751-133.985 1.00 0.39 H new ATOM 0 HG3 ARG A 79 58.188 30.425-135.178 1.00 0.39 H new ATOM 0 HD2 ARG A 79 57.656 27.901-134.820 1.00 0.39 H new ATOM 0 HD3 ARG A 79 56.232 28.431-133.947 1.00 0.39 H new ATOM 0 HE ARG A 79 56.082 29.881-136.361 1.00 1.50 H new ATOM 0 HH11 ARG A 79 56.482 26.551-135.372 1.00 2.28 H new ATOM 0 HH12 ARG A 79 55.655 25.899-136.791 1.00 2.28 H new ATOM 0 HH21 ARG A 79 55.023 29.047-138.177 1.00 3.27 H new ATOM 0 HH22 ARG A 79 54.836 27.300-138.366 1.00 3.27 H new ATOM 1074 N ASN A 80 60.634 31.649-131.653 1.00 0.23 N ATOM 1075 CA ASN A 80 61.905 31.834-130.895 1.00 0.21 C ATOM 1076 C ASN A 80 61.598 32.599-129.612 1.00 0.21 C ATOM 1077 O ASN A 80 62.305 32.500-128.629 1.00 0.22 O ATOM 1078 CB ASN A 80 62.903 32.623-131.746 1.00 0.23 C ATOM 1079 CG ASN A 80 63.109 31.910-133.084 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.571 30.844-133.306 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.871 32.458-133.990 1.00 1.15 N ATOM 0 H ASN A 80 60.543 32.221-132.492 1.00 0.23 H new ATOM 0 HA ASN A 80 62.341 30.865-130.653 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.534 33.635-131.914 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.853 32.714-131.220 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.015 31.991-134.885 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.323 33.353-133.803 1.00 1.15 H new ATOM 1088 N LEU A 81 60.502 33.303-129.592 1.00 0.23 N ATOM 1089 CA LEU A 81 60.103 34.010-128.350 1.00 0.28 C ATOM 1090 C LEU A 81 59.470 32.945-127.473 1.00 0.30 C ATOM 1091 O LEU A 81 59.862 32.714-126.350 1.00 0.31 O ATOM 1092 CB LEU A 81 59.084 35.107-128.668 1.00 0.35 C ATOM 1093 CG LEU A 81 59.790 36.275-129.358 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.752 37.172-130.036 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.565 37.088-128.318 1.00 1.26 C ATOM 0 H LEU A 81 59.867 33.418-130.382 1.00 0.23 H new ATOM 0 HA LEU A 81 60.951 34.491-127.863 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.298 34.712-129.311 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.604 35.449-127.751 1.00 0.35 H new ATOM 0 HG LEU A 81 60.481 35.889-130.108 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.256 38.004-130.528 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.200 36.594-130.777 1.00 1.28 H new ATOM 0 HD13 LEU A 81 58.060 37.558-129.287 1.00 1.28 H new ATOM 0 HD21 LEU A 81 61.069 37.921-128.809 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.874 37.473-127.568 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.305 36.450-127.835 1.00 1.26 H new ATOM 1107 N ASN A 82 58.519 32.261-128.030 1.00 0.35 N ATOM 1108 CA ASN A 82 57.854 31.154-127.319 1.00 0.42 C ATOM 1109 C ASN A 82 58.930 30.273-126.697 1.00 0.37 C ATOM 1110 O ASN A 82 58.988 30.102-125.497 1.00 0.38 O ATOM 1111 CB ASN A 82 57.035 30.363-128.346 1.00 0.51 C ATOM 1112 CG ASN A 82 55.639 30.975-128.471 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.495 32.108-128.886 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.597 30.269-128.127 1.00 0.98 N ATOM 0 H ASN A 82 58.169 32.431-128.973 1.00 0.35 H new ATOM 0 HA ASN A 82 57.194 31.517-126.531 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.537 30.376-129.314 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.959 29.320-128.040 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.662 30.668-128.206 1.00 0.98 H new ATOM 0 HD22 ASN A 82 54.718 29.318-127.779 1.00 0.98 H new ATOM 1121 N VAL A 83 59.799 29.732-127.501 1.00 0.35 N ATOM 1122 CA VAL A 83 60.888 28.886-126.950 1.00 0.36 C ATOM 1123 C VAL A 83 61.612 29.680-125.862 1.00 0.32 C ATOM 1124 O VAL A 83 61.759 29.232-124.747 1.00 0.35 O ATOM 1125 CB VAL A 83 61.869 28.525-128.068 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.798 27.406-127.595 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.091 28.054-129.300 1.00 0.44 C ATOM 0 H VAL A 83 59.802 29.839-128.515 1.00 0.35 H new ATOM 0 HA VAL A 83 60.478 27.968-126.530 1.00 0.36 H new ATOM 0 HB VAL A 83 62.461 29.403-128.325 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.496 27.151-128.393 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.355 27.741-126.720 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.207 26.528-127.335 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.790 27.797-130.096 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.497 27.177-129.042 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.431 28.852-129.641 1.00 0.44 H new ATOM 1137 N ILE A 84 62.058 30.866-126.182 1.00 0.27 N ATOM 1138 CA ILE A 84 62.762 31.677-125.152 1.00 0.30 C ATOM 1139 C ILE A 84 61.970 31.580-123.848 1.00 0.31 C ATOM 1140 O ILE A 84 62.505 31.266-122.798 1.00 0.37 O ATOM 1141 CB ILE A 84 62.839 33.133-125.592 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.957 33.281-126.618 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.147 34.019-124.382 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.700 34.528-127.453 1.00 0.37 C ATOM 0 H ILE A 84 61.966 31.302-127.100 1.00 0.27 H new ATOM 0 HA ILE A 84 63.776 31.302-125.014 1.00 0.30 H new ATOM 0 HB ILE A 84 61.887 33.435-126.029 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.922 33.356-126.116 1.00 0.37 H new ATOM 0 HG13 ILE A 84 63.999 32.400-127.259 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.202 35.061-124.698 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.358 33.907-123.638 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.101 33.721-123.947 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.495 34.642-128.190 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.742 34.433-127.964 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.679 35.403-126.803 1.00 0.37 H new ATOM 1156 N LEU A 85 60.692 31.839-123.909 1.00 0.35 N ATOM 1157 CA LEU A 85 59.860 31.756-122.678 1.00 0.42 C ATOM 1158 C LEU A 85 59.912 30.329-122.138 1.00 0.42 C ATOM 1159 O LEU A 85 60.314 30.097-121.022 1.00 0.47 O ATOM 1160 CB LEU A 85 58.411 32.126-123.009 1.00 0.54 C ATOM 1161 CG LEU A 85 58.234 33.642-122.902 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.512 34.087-121.466 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.215 34.336-123.848 1.00 0.61 C ATOM 0 H LEU A 85 60.190 32.104-124.757 1.00 0.35 H new ATOM 0 HA LEU A 85 60.243 32.449-121.929 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.159 31.790-124.015 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.730 31.620-122.324 1.00 0.54 H new ATOM 0 HG LEU A 85 57.213 33.909-123.175 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.386 35.167-121.389 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.815 33.591-120.790 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.533 33.820-121.194 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.090 35.416-123.773 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.236 34.069-123.574 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.019 34.018-124.872 1.00 0.61 H new ATOM 1175 N ALA A 86 59.516 29.372-122.928 1.00 0.47 N ATOM 1176 CA ALA A 86 59.553 27.957-122.466 1.00 0.58 C ATOM 1177 C ALA A 86 60.947 27.636-121.922 1.00 0.59 C ATOM 1178 O ALA A 86 61.146 26.663-121.221 1.00 0.73 O ATOM 1179 CB ALA A 86 59.246 27.038-123.650 1.00 0.64 C ATOM 0 H ALA A 86 59.167 29.509-123.877 1.00 0.47 H new ATOM 0 HA ALA A 86 58.813 27.806-121.680 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.271 25.999-123.320 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.256 27.270-124.044 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.992 27.189-124.431 1.00 0.64 H new ATOM 1185 N LYS A 87 61.915 28.443-122.254 1.00 0.50 N ATOM 1186 CA LYS A 87 63.305 28.196-121.782 1.00 0.60 C ATOM 1187 C LYS A 87 63.474 28.752-120.375 1.00 0.58 C ATOM 1188 O LYS A 87 64.005 28.103-119.495 1.00 0.71 O ATOM 1189 CB LYS A 87 64.277 28.905-122.717 1.00 0.61 C ATOM 1190 CG LYS A 87 65.642 28.216-122.662 1.00 0.82 C ATOM 1191 CD LYS A 87 66.553 28.799-123.745 1.00 0.99 C ATOM 1192 CE LYS A 87 66.448 27.949-125.012 1.00 1.63 C ATOM 1193 NZ LYS A 87 65.012 27.691-125.320 1.00 2.02 N ATOM 0 H LYS A 87 61.801 29.271-122.838 1.00 0.50 H new ATOM 0 HA LYS A 87 63.504 27.124-121.775 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.892 28.890-123.737 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.375 29.952-122.429 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.092 28.356-121.679 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.525 27.142-122.809 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.267 29.829-123.960 1.00 0.99 H new ATOM 0 HD3 LYS A 87 67.585 28.822-123.394 1.00 0.99 H new ATOM 0 HE2 LYS A 87 66.924 28.462-125.848 1.00 1.63 H new ATOM 0 HE3 LYS A 87 66.977 27.006-124.875 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 64.937 27.171-126.218 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 64.589 27.126-124.556 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 64.506 28.596-125.401 1.00 2.02 H new ATOM 1207 N TYR A 88 63.009 29.945-120.150 1.00 0.45 N ATOM 1208 CA TYR A 88 63.128 30.531-118.789 1.00 0.47 C ATOM 1209 C TYR A 88 62.036 29.927-117.919 1.00 0.54 C ATOM 1210 O TYR A 88 62.118 29.899-116.707 1.00 0.58 O ATOM 1211 CB TYR A 88 62.974 32.050-118.865 1.00 0.44 C ATOM 1212 CG TYR A 88 64.269 32.646-119.363 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.275 32.993-118.453 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.468 32.843-120.735 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.480 33.536-118.915 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.672 33.385-121.196 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.679 33.732-120.287 1.00 0.61 C ATOM 1218 OH TYR A 88 67.867 34.267-120.742 1.00 0.73 O ATOM 0 H TYR A 88 62.554 30.538-120.844 1.00 0.45 H new ATOM 0 HA TYR A 88 64.106 30.311-118.361 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.155 32.313-119.535 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.726 32.454-117.884 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.121 32.842-117.395 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.692 32.576-121.437 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.256 33.804-118.213 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.825 33.536-122.254 1.00 0.62 H new ATOM 0 HH TYR A 88 67.874 34.262-121.722 1.00 0.73 H new ATOM 1228 N GLY A 89 61.003 29.461-118.550 1.00 0.59 N ATOM 1229 CA GLY A 89 59.871 28.866-117.792 1.00 0.69 C ATOM 1230 C GLY A 89 58.931 29.989-117.371 1.00 0.77 C ATOM 1231 O GLY A 89 58.446 30.030-116.257 1.00 1.09 O ATOM 0 H GLY A 89 60.891 29.465-119.564 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.342 28.140-118.409 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.240 28.332-116.916 1.00 0.69 H new ATOM 1235 N LEU A 90 58.658 30.898-118.265 1.00 0.65 N ATOM 1236 CA LEU A 90 57.736 32.020-117.941 1.00 0.75 C ATOM 1237 C LEU A 90 56.457 31.865-118.764 1.00 0.80 C ATOM 1238 O LEU A 90 55.373 31.728-118.234 1.00 1.31 O ATOM 1239 CB LEU A 90 58.411 33.344-118.298 1.00 0.82 C ATOM 1240 CG LEU A 90 58.650 34.154-117.026 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.607 35.307-117.333 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.317 34.711-116.526 1.00 1.68 C ATOM 0 H LEU A 90 59.037 30.911-119.212 1.00 0.65 H new ATOM 0 HA LEU A 90 57.495 32.008-116.878 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.357 33.157-118.805 1.00 0.82 H new ATOM 0 HB3 LEU A 90 57.785 33.909-118.989 1.00 0.82 H new ATOM 0 HG LEU A 90 59.088 33.516-116.258 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.780 35.888-116.427 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.555 34.907-117.694 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.170 35.949-118.097 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.483 35.290-115.618 1.00 1.68 H new ATOM 0 HD22 LEU A 90 56.881 35.353-117.291 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.636 33.887-116.312 1.00 1.68 H new