USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 MET CE :methyl 147:sc= 0 (180deg=-0.0779) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 0.315 (180deg=0.24) USER MOD Single : A 26 ASN : amide:sc= -4.88! C(o=-4.9!,f=-14!) USER MOD Single : A 27 GLN : amide:sc= -0.178 K(o=-0.18,f=-1.7!) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.203) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0346 F(o=-2.6!,f=-0.035) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.0245 F(o=-0.92,f=-0.024) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -2.74! C(o=-6.5!,f=-2.7!) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= -2.99! (180deg=-3.38!) USER MOD Single : A 52 GLN : amide:sc= -22.2! C(o=-22!,f=-29!) USER MOD Single : A 60 LYS NZ :NH3+ 136:sc= -1.1 (180deg=-4.08!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= -0.246 (180deg=-1.46!) USER MOD Single : A 73 LYS NZ :NH3+ -133:sc= -0.814 (180deg=-3.85!) USER MOD Single : A 80 ASN : amide:sc= -4.67! C(o=-4.7!,f=-6.9!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= -0.134 (180deg=-0.77) USER MOD Single : A 88 TYR OH : rot -2:sc= -14.9! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 0.197 (180deg=0.0234) USER MOD Single : A 98 GLN :FLIP amide:sc=-0.00946 F(o=-1.6!,f=-0.0095) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 65.031 54.681-127.576 1.00 3.57 N ATOM 2 CA GLY A 17 64.098 54.755-126.368 1.00 2.94 C ATOM 3 C GLY A 17 63.724 53.500-125.654 1.00 2.17 C ATOM 4 O GLY A 17 63.763 52.422-126.213 1.00 2.41 O ATOM 0 HA2 GLY A 17 64.559 55.421-125.639 1.00 2.94 H new ATOM 0 HA3 GLY A 17 63.175 55.232-126.697 1.00 2.94 H new ATOM 8 N GLU A 18 63.356 53.603-124.406 1.00 1.64 N ATOM 9 CA GLU A 18 62.975 52.377-123.651 1.00 0.99 C ATOM 10 C GLU A 18 64.086 51.349-123.784 1.00 0.98 C ATOM 11 O GLU A 18 65.256 51.674-123.830 1.00 1.60 O ATOM 12 CB GLU A 18 61.682 51.804-124.236 1.00 1.22 C ATOM 13 CG GLU A 18 60.773 52.949-124.686 1.00 1.64 C ATOM 14 CD GLU A 18 59.503 52.375-125.316 1.00 2.48 C ATOM 15 OE1 GLU A 18 59.563 51.975-126.467 1.00 3.13 O ATOM 16 OE2 GLU A 18 58.490 52.345-124.635 1.00 3.09 O ATOM 0 H GLU A 18 63.303 54.476-123.881 1.00 1.64 H new ATOM 0 HA GLU A 18 62.822 52.622-122.600 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.910 51.153-125.080 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.173 51.193-123.491 1.00 1.22 H new ATOM 0 HG2 GLU A 18 60.516 53.580-123.835 1.00 1.64 H new ATOM 0 HG3 GLU A 18 61.295 53.581-125.405 1.00 1.64 H new ATOM 23 N GLU A 19 63.720 50.114-123.880 1.00 0.57 N ATOM 24 CA GLU A 19 64.729 49.042-124.050 1.00 0.55 C ATOM 25 C GLU A 19 64.631 48.576-125.504 1.00 0.56 C ATOM 26 O GLU A 19 65.563 48.677-126.276 1.00 0.63 O ATOM 27 CB GLU A 19 64.405 47.897-123.082 1.00 0.45 C ATOM 28 CG GLU A 19 62.900 47.622-123.107 1.00 0.38 C ATOM 29 CD GLU A 19 62.655 46.115-123.185 1.00 1.26 C ATOM 30 OE1 GLU A 19 63.513 45.371-122.738 1.00 2.06 O ATOM 31 OE2 GLU A 19 61.618 45.729-123.696 1.00 1.96 O ATOM 0 H GLU A 19 62.752 49.793-123.848 1.00 0.57 H new ATOM 0 HA GLU A 19 65.740 49.388-123.834 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.955 47.000-123.366 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.721 48.159-122.072 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.431 48.031-122.212 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.443 48.120-123.963 1.00 0.38 H new ATOM 38 N PHE A 20 63.474 48.107-125.874 1.00 0.51 N ATOM 39 CA PHE A 20 63.228 47.665-127.278 1.00 0.54 C ATOM 40 C PHE A 20 62.274 48.694-127.863 1.00 0.55 C ATOM 41 O PHE A 20 61.919 49.638-127.187 1.00 0.57 O ATOM 42 CB PHE A 20 62.558 46.280-127.301 1.00 0.52 C ATOM 43 CG PHE A 20 63.430 45.256-126.606 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.062 45.586-125.411 1.00 0.49 C ATOM 45 CD2 PHE A 20 63.586 43.975-127.146 1.00 0.80 C ATOM 46 CE1 PHE A 20 64.850 44.645-124.742 1.00 0.51 C ATOM 47 CE2 PHE A 20 64.379 43.028-126.479 1.00 0.82 C ATOM 48 CZ PHE A 20 65.010 43.366-125.273 1.00 0.56 C ATOM 0 H PHE A 20 62.672 48.009-125.252 1.00 0.51 H new ATOM 0 HA PHE A 20 64.159 47.589-127.839 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.586 46.332-126.810 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.379 45.974-128.332 1.00 0.52 H new ATOM 0 HD1 PHE A 20 63.943 46.576-124.997 1.00 0.49 H new ATOM 0 HD2 PHE A 20 63.098 43.715-128.074 1.00 0.80 H new ATOM 0 HE1 PHE A 20 65.335 44.909-123.814 1.00 0.51 H new ATOM 0 HE2 PHE A 20 64.503 42.039-126.895 1.00 0.82 H new ATOM 0 HZ PHE A 20 65.618 42.638-124.757 1.00 0.56 H new ATOM 58 N ARG A 21 61.825 48.563-129.078 1.00 0.57 N ATOM 59 CA ARG A 21 60.882 49.582-129.604 1.00 0.60 C ATOM 60 C ARG A 21 59.597 48.865-129.994 1.00 0.57 C ATOM 61 O ARG A 21 58.731 49.411-130.649 1.00 0.59 O ATOM 62 CB ARG A 21 61.483 50.224-130.846 1.00 0.69 C ATOM 63 CG ARG A 21 62.825 50.871-130.499 1.00 0.74 C ATOM 64 CD ARG A 21 63.519 51.322-131.785 1.00 0.82 C ATOM 65 NE ARG A 21 64.995 51.222-131.617 1.00 1.35 N ATOM 66 CZ ARG A 21 65.774 51.257-132.664 1.00 1.78 C ATOM 67 NH1 ARG A 21 65.258 51.372-133.858 1.00 2.06 N ATOM 68 NH2 ARG A 21 67.069 51.174-132.519 1.00 2.72 N ATOM 0 H ARG A 21 62.066 47.807-129.720 1.00 0.57 H new ATOM 0 HA ARG A 21 60.688 50.349-128.855 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.622 49.473-131.624 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.800 50.974-131.245 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.670 51.724-129.838 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.455 50.162-129.962 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.195 50.703-132.621 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.238 52.348-132.021 1.00 0.82 H new ATOM 0 HE ARG A 21 65.397 51.126-130.685 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.246 51.434-133.973 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.867 51.399-134.676 1.00 2.06 H new ATOM 0 HH21 ARG A 21 67.473 51.082-131.587 1.00 2.72 H new ATOM 0 HH22 ARG A 21 67.677 51.201-133.338 1.00 2.72 H new ATOM 82 N MET A 22 59.478 47.638-129.586 1.00 0.54 N ATOM 83 CA MET A 22 58.262 46.847-129.911 1.00 0.55 C ATOM 84 C MET A 22 57.411 46.689-128.653 1.00 0.49 C ATOM 85 O MET A 22 57.893 46.306-127.599 1.00 0.63 O ATOM 86 CB MET A 22 58.667 45.465-130.416 1.00 0.61 C ATOM 87 CG MET A 22 59.277 45.588-131.813 1.00 0.71 C ATOM 88 SD MET A 22 57.975 45.984-133.007 1.00 1.14 S ATOM 89 CE MET A 22 57.659 44.292-133.567 1.00 1.25 C ATOM 0 H MET A 22 60.178 47.142-129.035 1.00 0.54 H new ATOM 0 HA MET A 22 57.692 47.364-130.683 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.386 45.013-129.733 1.00 0.61 H new ATOM 0 HB3 MET A 22 57.798 44.808-130.444 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.041 46.365-131.821 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.768 44.655-132.090 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.604 44.183-133.818 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.265 44.081-134.448 1.00 1.25 H new ATOM 0 HE3 MET A 22 57.917 43.592-132.773 1.00 1.25 H new ATOM 99 N GLU A 23 56.148 46.980-128.752 1.00 0.47 N ATOM 100 CA GLU A 23 55.268 46.851-127.566 1.00 0.46 C ATOM 101 C GLU A 23 55.408 45.454-126.971 1.00 0.50 C ATOM 102 O GLU A 23 55.484 45.296-125.769 1.00 0.50 O ATOM 103 CB GLU A 23 53.814 47.097-127.971 1.00 0.50 C ATOM 104 CG GLU A 23 53.710 48.426-128.721 1.00 1.45 C ATOM 105 CD GLU A 23 52.269 48.637-129.190 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.445 47.782-128.911 1.00 2.48 O ATOM 107 OE2 GLU A 23 52.014 49.650-129.822 1.00 2.68 O ATOM 0 H GLU A 23 55.688 47.302-129.604 1.00 0.47 H new ATOM 0 HA GLU A 23 55.561 47.590-126.820 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.459 46.283-128.602 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.177 47.116-127.086 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.016 49.247-128.072 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.386 48.427-129.576 1.00 1.45 H new ATOM 114 N LYS A 24 55.433 44.428-127.781 1.00 0.54 N ATOM 115 CA LYS A 24 55.557 43.058-127.222 1.00 0.59 C ATOM 116 C LYS A 24 56.844 42.926-126.416 1.00 0.53 C ATOM 117 O LYS A 24 56.820 42.545-125.262 1.00 0.55 O ATOM 118 CB LYS A 24 55.563 42.038-128.362 1.00 0.67 C ATOM 119 CG LYS A 24 56.474 42.531-129.487 1.00 0.64 C ATOM 120 CD LYS A 24 56.302 41.634-130.715 1.00 0.77 C ATOM 121 CE LYS A 24 56.380 40.166-130.289 1.00 1.46 C ATOM 122 NZ LYS A 24 56.582 39.310-131.492 1.00 2.09 N ATOM 0 H LYS A 24 55.373 44.483-128.798 1.00 0.54 H new ATOM 0 HA LYS A 24 54.708 42.870-126.564 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.910 41.071-127.997 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.550 41.892-128.738 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.230 43.563-129.740 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.513 42.520-129.159 1.00 0.64 H new ATOM 0 HD2 LYS A 24 55.343 41.834-131.194 1.00 0.77 H new ATOM 0 HD3 LYS A 24 57.077 41.852-131.450 1.00 0.77 H new ATOM 0 HE2 LYS A 24 57.201 40.023-129.586 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.464 39.877-129.773 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.383 38.318-131.250 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 55.938 39.617-132.249 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 57.566 39.396-131.818 1.00 2.09 H new ATOM 136 N LEU A 25 57.974 43.210-127.001 1.00 0.47 N ATOM 137 CA LEU A 25 59.260 43.072-126.262 1.00 0.42 C ATOM 138 C LEU A 25 59.247 43.890-124.979 1.00 0.39 C ATOM 139 O LEU A 25 59.818 43.493-123.984 1.00 0.55 O ATOM 140 CB LEU A 25 60.391 43.572-127.157 1.00 0.43 C ATOM 141 CG LEU A 25 60.786 42.470-128.141 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.257 43.099-129.456 1.00 0.92 C ATOM 143 CD2 LEU A 25 61.913 41.629-127.536 1.00 1.03 C ATOM 0 H LEU A 25 58.062 43.533-127.964 1.00 0.47 H new ATOM 0 HA LEU A 25 59.403 42.024-126.000 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.073 44.462-127.700 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.250 43.858-126.550 1.00 0.43 H new ATOM 0 HG LEU A 25 59.925 41.832-128.339 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.538 42.312-130.156 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.450 43.694-129.884 1.00 0.92 H new ATOM 0 HD13 LEU A 25 62.118 43.739-129.265 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.196 40.843-128.236 1.00 1.03 H new ATOM 0 HD22 LEU A 25 62.775 42.265-127.337 1.00 1.03 H new ATOM 0 HD23 LEU A 25 61.571 41.179-126.604 1.00 1.03 H new ATOM 155 N ASN A 26 58.578 45.005-124.961 1.00 0.39 N ATOM 156 CA ASN A 26 58.531 45.783-123.694 1.00 0.37 C ATOM 157 C ASN A 26 57.635 45.009-122.734 1.00 0.40 C ATOM 158 O ASN A 26 57.938 44.820-121.575 1.00 0.40 O ATOM 159 CB ASN A 26 57.946 47.170-123.962 1.00 0.41 C ATOM 160 CG ASN A 26 58.600 47.761-125.213 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.212 47.049-125.985 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.500 49.039-125.447 1.00 0.45 N ATOM 0 H ASN A 26 58.071 45.406-125.750 1.00 0.39 H new ATOM 0 HA ASN A 26 59.528 45.914-123.272 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.867 47.102-124.099 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.118 47.822-123.105 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.935 49.441-126.277 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.987 49.637-124.800 1.00 0.45 H new ATOM 169 N GLN A 27 56.527 44.568-123.242 1.00 0.44 N ATOM 170 CA GLN A 27 55.572 43.802-122.408 1.00 0.50 C ATOM 171 C GLN A 27 56.318 42.659-121.721 1.00 0.47 C ATOM 172 O GLN A 27 56.324 42.557-120.507 1.00 0.48 O ATOM 173 CB GLN A 27 54.450 43.239-123.283 1.00 0.59 C ATOM 174 CG GLN A 27 53.540 44.380-123.744 1.00 0.58 C ATOM 175 CD GLN A 27 52.494 44.666-122.665 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.040 43.765-121.988 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.090 45.893-122.475 1.00 2.02 N ATOM 0 H GLN A 27 56.238 44.707-124.210 1.00 0.44 H new ATOM 0 HA GLN A 27 55.134 44.459-121.657 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.871 42.724-124.147 1.00 0.59 H new ATOM 0 HB3 GLN A 27 53.873 42.503-122.724 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.131 45.275-123.939 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.049 44.112-124.680 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.471 46.649-123.043 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.393 46.095-121.758 1.00 2.02 H new ATOM 186 N LEU A 28 56.954 41.789-122.465 1.00 0.47 N ATOM 187 CA LEU A 28 57.686 40.660-121.816 1.00 0.47 C ATOM 188 C LEU A 28 58.903 41.195-121.064 1.00 0.39 C ATOM 189 O LEU A 28 59.332 40.637-120.074 1.00 0.50 O ATOM 190 CB LEU A 28 58.155 39.677-122.893 1.00 0.50 C ATOM 191 CG LEU A 28 56.943 39.028-123.565 1.00 0.62 C ATOM 192 CD1 LEU A 28 56.989 39.294-125.071 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.972 37.518-123.316 1.00 1.21 C ATOM 0 H LEU A 28 56.998 41.811-123.484 1.00 0.47 H new ATOM 0 HA LEU A 28 57.020 40.156-121.115 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.759 40.198-123.636 1.00 0.50 H new ATOM 0 HB3 LEU A 28 58.789 38.911-122.448 1.00 0.50 H new ATOM 0 HG LEU A 28 56.028 39.451-123.149 1.00 0.62 H new ATOM 0 HD11 LEU A 28 56.125 38.831-125.549 1.00 1.41 H new ATOM 0 HD12 LEU A 28 56.971 40.369-125.251 1.00 1.41 H new ATOM 0 HD13 LEU A 28 57.904 38.872-125.487 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.109 37.054-123.794 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.887 37.098-123.733 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.940 37.325-122.244 1.00 1.21 H new ATOM 205 N TRP A 29 59.449 42.285-121.518 1.00 0.37 N ATOM 206 CA TRP A 29 60.623 42.860-120.808 1.00 0.30 C ATOM 207 C TRP A 29 60.175 43.186-119.394 1.00 0.36 C ATOM 208 O TRP A 29 60.698 42.669-118.409 1.00 0.39 O ATOM 209 CB TRP A 29 61.100 44.129-121.509 1.00 0.32 C ATOM 210 CG TRP A 29 62.298 44.681-120.804 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.505 45.992-120.567 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.457 43.978-120.252 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.708 46.147-119.909 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.331 44.937-119.689 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.836 42.622-120.180 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.528 44.570-119.081 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.043 42.251-119.565 1.00 0.37 C ATOM 218 CH2 TRP A 29 65.886 43.226-119.017 1.00 0.41 C ATOM 0 H TRP A 29 59.138 42.799-122.342 1.00 0.37 H new ATOM 0 HA TRP A 29 61.452 42.152-120.802 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.348 43.910-122.548 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.301 44.870-121.521 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.836 46.793-120.847 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.090 47.048-119.620 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.193 41.863-120.601 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.176 45.325-118.661 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.322 41.209-119.514 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.813 42.936-118.545 1.00 0.41 H new ATOM 229 N GLU A 30 59.187 44.023-119.285 1.00 0.45 N ATOM 230 CA GLU A 30 58.646 44.386-117.957 1.00 0.56 C ATOM 231 C GLU A 30 58.266 43.112-117.210 1.00 0.50 C ATOM 232 O GLU A 30 58.455 43.007-116.016 1.00 0.52 O ATOM 233 CB GLU A 30 57.399 45.253-118.166 1.00 0.68 C ATOM 234 CG GLU A 30 57.813 46.721-118.285 1.00 0.86 C ATOM 235 CD GLU A 30 56.631 47.546-118.795 1.00 1.53 C ATOM 236 OE1 GLU A 30 56.261 47.367-119.943 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.115 48.342-118.028 1.00 2.06 O ATOM 0 H GLU A 30 58.726 44.477-120.074 1.00 0.45 H new ATOM 0 HA GLU A 30 59.388 44.935-117.377 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.871 44.939-119.066 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.710 45.125-117.331 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.141 47.097-117.316 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.658 46.817-118.967 1.00 0.86 H new ATOM 244 N LYS A 31 57.738 42.131-117.898 1.00 0.46 N ATOM 245 CA LYS A 31 57.365 40.871-117.204 1.00 0.45 C ATOM 246 C LYS A 31 58.596 40.310-116.495 1.00 0.43 C ATOM 247 O LYS A 31 58.573 40.044-115.307 1.00 0.46 O ATOM 248 CB LYS A 31 56.858 39.848-118.222 1.00 0.44 C ATOM 249 CG LYS A 31 55.415 40.180-118.609 1.00 0.91 C ATOM 250 CD LYS A 31 54.725 38.922-119.138 1.00 0.99 C ATOM 251 CE LYS A 31 53.944 39.264-120.409 1.00 1.36 C ATOM 252 NZ LYS A 31 52.909 40.290-120.094 1.00 2.08 N ATOM 0 H LYS A 31 57.552 42.151-118.901 1.00 0.46 H new ATOM 0 HA LYS A 31 56.577 41.075-116.479 1.00 0.45 H new ATOM 0 HB2 LYS A 31 57.494 39.856-119.108 1.00 0.44 H new ATOM 0 HB3 LYS A 31 56.910 38.844-117.801 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.876 40.567-117.745 1.00 0.91 H new ATOM 0 HG3 LYS A 31 55.402 40.961-119.369 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.465 38.150-119.350 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.051 38.519-118.382 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.622 39.639-121.176 1.00 1.36 H new ATOM 0 HE3 LYS A 31 53.472 38.367-120.811 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.193 40.304-120.848 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.454 40.057-119.188 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.357 41.226-120.025 1.00 2.08 H new ATOM 266 N ALA A 32 59.681 40.129-117.203 1.00 0.41 N ATOM 267 CA ALA A 32 60.887 39.588-116.528 1.00 0.41 C ATOM 268 C ALA A 32 61.221 40.498-115.355 1.00 0.41 C ATOM 269 O ALA A 32 61.174 40.086-114.207 1.00 0.42 O ATOM 270 CB ALA A 32 62.069 39.552-117.499 1.00 0.42 C ATOM 0 H ALA A 32 59.780 40.329-118.198 1.00 0.41 H new ATOM 0 HA ALA A 32 60.693 38.572-116.183 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.946 39.153-116.990 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.822 38.916-118.349 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.282 40.561-117.851 1.00 0.42 H new ATOM 276 N GLN A 33 61.555 41.740-115.599 1.00 0.43 N ATOM 277 CA GLN A 33 61.877 42.619-114.447 1.00 0.47 C ATOM 278 C GLN A 33 60.830 42.387-113.366 1.00 0.49 C ATOM 279 O GLN A 33 61.116 42.435-112.186 1.00 0.53 O ATOM 280 CB GLN A 33 61.849 44.083-114.893 1.00 0.51 C ATOM 281 CG GLN A 33 62.949 44.321-115.930 1.00 0.53 C ATOM 282 CD GLN A 33 62.784 45.715-116.538 1.00 0.75 C ATOM 283 OE1 GLN A 33 61.587 46.149-116.830 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.753 46.418-116.750 1.00 1.23 N flip ATOM 0 H GLN A 33 61.616 42.170-116.522 1.00 0.43 H new ATOM 0 HA GLN A 33 62.871 42.391-114.062 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.875 44.326-115.318 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.995 44.739-114.035 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.930 44.230-115.463 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.897 43.563-116.712 1.00 0.53 H new ATOM 0 HE21 GLN A 33 64.688 46.080-116.522 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.631 47.346-117.156 1.00 1.23 H new ATOM 293 N ARG A 34 59.616 42.129-113.763 1.00 0.49 N ATOM 294 CA ARG A 34 58.544 41.885-112.764 1.00 0.52 C ATOM 295 C ARG A 34 58.886 40.646-111.951 1.00 0.52 C ATOM 296 O ARG A 34 58.710 40.618-110.749 1.00 0.55 O ATOM 297 CB ARG A 34 57.216 41.673-113.483 1.00 0.56 C ATOM 298 CG ARG A 34 56.225 42.762-113.064 1.00 0.67 C ATOM 299 CD ARG A 34 56.571 44.068-113.780 1.00 1.59 C ATOM 300 NE ARG A 34 56.579 45.194-112.800 1.00 1.96 N ATOM 301 CZ ARG A 34 55.661 45.276-111.874 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.689 44.406-111.831 1.00 3.42 N ATOM 303 NH2 ARG A 34 55.706 46.243-110.998 1.00 3.58 N ATOM 0 H ARG A 34 59.321 42.077-114.738 1.00 0.49 H new ATOM 0 HA ARG A 34 58.462 42.745-112.100 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.367 41.700-114.562 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.814 40.689-113.242 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.208 42.458-113.311 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.261 42.906-111.984 1.00 0.67 H new ATOM 0 HD2 ARG A 34 57.546 43.984-114.259 1.00 1.59 H new ATOM 0 HD3 ARG A 34 55.845 44.265-114.568 1.00 1.59 H new ATOM 0 HE ARG A 34 57.308 45.906-112.854 1.00 1.96 H new ATOM 0 HH11 ARG A 34 54.644 43.658-112.522 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.975 44.475-111.106 1.00 3.42 H new ATOM 0 HH21 ARG A 34 56.457 46.932-111.038 1.00 3.58 H new ATOM 0 HH22 ARG A 34 54.990 46.309-110.274 1.00 3.58 H new ATOM 317 N LEU A 35 59.404 39.628-112.577 1.00 0.50 N ATOM 318 CA LEU A 35 59.783 38.420-111.803 1.00 0.54 C ATOM 319 C LEU A 35 61.048 38.766-111.029 1.00 0.55 C ATOM 320 O LEU A 35 61.470 38.057-110.137 1.00 0.61 O ATOM 321 CB LEU A 35 60.055 37.252-112.754 1.00 0.57 C ATOM 322 CG LEU A 35 58.802 36.963-113.582 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.977 35.639-114.327 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.590 36.867-112.652 1.00 0.84 C ATOM 0 H LEU A 35 59.579 39.581-113.581 1.00 0.50 H new ATOM 0 HA LEU A 35 58.981 38.124-111.127 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.890 37.492-113.412 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.340 36.366-112.186 1.00 0.57 H new ATOM 0 HG LEU A 35 58.648 37.767-114.302 1.00 0.68 H new ATOM 0 HD11 LEU A 35 58.084 35.433-114.917 1.00 1.20 H new ATOM 0 HD12 LEU A 35 59.841 35.705-114.988 1.00 1.20 H new ATOM 0 HD13 LEU A 35 59.130 34.834-113.608 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.696 36.661-113.240 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.745 36.062-111.934 1.00 0.84 H new ATOM 0 HD23 LEU A 35 57.465 37.810-112.119 1.00 0.84 H new ATOM 336 N HIS A 36 61.644 39.872-111.379 1.00 0.53 N ATOM 337 CA HIS A 36 62.888 40.322-110.682 1.00 0.58 C ATOM 338 C HIS A 36 64.026 39.317-110.896 1.00 0.49 C ATOM 339 O HIS A 36 64.492 38.675-109.976 1.00 1.37 O ATOM 340 CB HIS A 36 62.613 40.472-109.184 1.00 0.98 C ATOM 341 CG HIS A 36 62.078 41.850-108.907 1.00 1.43 C ATOM 342 ND1 HIS A 36 60.942 42.494-109.330 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.745 42.752-108.094 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.902 43.777-108.787 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.011 43.880-108.051 1.00 2.17 N flip ATOM 0 H HIS A 36 61.322 40.490-112.124 1.00 0.53 H new ATOM 0 HA HIS A 36 63.190 41.283-111.100 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.895 39.719-108.858 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.529 40.305-108.617 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.235 42.095-109.947 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.683 42.581-107.587 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.138 44.527-108.931 1.00 2.32 H new ATOM 353 N LEU A 37 64.470 39.186-112.112 1.00 0.59 N ATOM 354 CA LEU A 37 65.578 38.227-112.390 1.00 0.43 C ATOM 355 C LEU A 37 66.911 38.954-112.183 1.00 0.44 C ATOM 356 O LEU A 37 67.117 40.028-112.708 1.00 0.42 O ATOM 357 CB LEU A 37 65.525 37.728-113.835 1.00 0.53 C ATOM 358 CG LEU A 37 64.101 37.323-114.208 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.394 38.508-114.864 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.160 36.161-115.202 1.00 0.82 C ATOM 0 H LEU A 37 64.119 39.696-112.922 1.00 0.59 H new ATOM 0 HA LEU A 37 65.478 37.374-111.718 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.876 38.510-114.509 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.195 36.877-113.957 1.00 0.53 H new ATOM 0 HG LEU A 37 63.556 37.021-113.314 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.377 38.222-115.132 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.364 39.345-114.167 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.936 38.803-115.762 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.147 35.864-115.475 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.700 36.474-116.096 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.675 35.316-114.744 1.00 0.82 H new ATOM 372 N PRO A 38 67.818 38.377-111.430 1.00 0.57 N ATOM 373 CA PRO A 38 69.136 39.022-111.196 1.00 0.66 C ATOM 374 C PRO A 38 69.755 39.466-112.512 1.00 0.58 C ATOM 375 O PRO A 38 69.356 39.012-113.553 1.00 0.52 O ATOM 376 CB PRO A 38 69.948 37.888-110.567 1.00 0.81 C ATOM 377 CG PRO A 38 68.984 36.757-110.179 1.00 0.82 C ATOM 378 CD PRO A 38 67.603 37.060-110.778 1.00 0.69 C ATOM 0 HA PRO A 38 69.085 39.917-110.576 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.697 37.523-111.270 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.484 38.248-109.688 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.355 35.801-110.549 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.916 36.674-109.094 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.295 36.298-111.494 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.830 37.108-110.011 1.00 0.69 H new ATOM 386 N PRO A 39 70.719 40.335-112.481 1.00 0.62 N ATOM 387 CA PRO A 39 71.359 40.794-113.738 1.00 0.60 C ATOM 388 C PRO A 39 71.832 39.610-114.587 1.00 0.53 C ATOM 389 O PRO A 39 71.590 39.538-115.764 1.00 0.51 O ATOM 390 CB PRO A 39 72.542 41.616-113.224 1.00 0.74 C ATOM 391 CG PRO A 39 72.436 41.735-111.695 1.00 0.81 C ATOM 392 CD PRO A 39 71.235 40.911-111.216 1.00 0.74 C ATOM 0 HA PRO A 39 70.688 41.356-114.387 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.482 41.139-113.501 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.540 42.606-113.681 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.351 41.376-111.224 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.317 42.779-111.405 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.530 40.137-110.508 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.490 41.531-110.718 1.00 0.74 H new ATOM 400 N VAL A 40 72.547 38.714-113.985 1.00 0.52 N ATOM 401 CA VAL A 40 73.100 37.537-114.718 1.00 0.47 C ATOM 402 C VAL A 40 71.991 36.805-115.477 1.00 0.41 C ATOM 403 O VAL A 40 72.079 36.565-116.671 1.00 0.37 O ATOM 404 CB VAL A 40 73.734 36.582-113.701 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.664 35.661-113.112 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.814 35.744-114.388 1.00 0.50 C ATOM 0 H VAL A 40 72.781 38.742-112.993 1.00 0.52 H new ATOM 0 HA VAL A 40 73.844 37.879-115.437 1.00 0.47 H new ATOM 0 HB VAL A 40 74.184 37.164-112.897 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.123 34.985-112.390 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.902 36.261-112.614 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.204 35.080-113.911 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.264 35.065-113.663 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.367 35.166-115.197 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.582 36.402-114.794 1.00 0.50 H new ATOM 416 N ARG A 41 70.942 36.465-114.796 1.00 0.42 N ATOM 417 CA ARG A 41 69.819 35.755-115.466 1.00 0.40 C ATOM 418 C ARG A 41 69.010 36.766-116.267 1.00 0.34 C ATOM 419 O ARG A 41 68.347 36.436-117.237 1.00 0.30 O ATOM 420 CB ARG A 41 68.923 35.105-114.411 1.00 0.46 C ATOM 421 CG ARG A 41 69.142 33.590-114.411 1.00 0.87 C ATOM 422 CD ARG A 41 68.139 32.929-113.465 1.00 1.00 C ATOM 423 NE ARG A 41 68.622 33.060-112.061 1.00 1.53 N ATOM 424 CZ ARG A 41 67.805 32.839-111.066 1.00 2.18 C ATOM 425 NH1 ARG A 41 66.568 32.497-111.301 1.00 2.54 N ATOM 426 NH2 ARG A 41 68.227 32.959-109.837 1.00 3.12 N ATOM 0 H ARG A 41 70.809 36.647-113.801 1.00 0.42 H new ATOM 0 HA ARG A 41 70.210 34.983-116.128 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.148 35.515-113.426 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.877 35.331-114.619 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.022 33.195-115.420 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.160 33.359-114.098 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.160 33.397-113.570 1.00 1.00 H new ATOM 0 HD3 ARG A 41 68.018 31.877-113.723 1.00 1.00 H new ATOM 0 HE ARG A 41 69.590 33.322-111.877 1.00 1.53 H new ATOM 0 HH11 ARG A 41 66.239 32.402-112.262 1.00 2.54 H new ATOM 0 HH12 ARG A 41 65.930 32.324-110.524 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.194 33.225-109.654 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.589 32.787-109.060 1.00 3.12 H new ATOM 440 N LEU A 42 69.073 38.005-115.871 1.00 0.35 N ATOM 441 CA LEU A 42 68.314 39.046-116.605 1.00 0.30 C ATOM 442 C LEU A 42 69.087 39.415-117.859 1.00 0.31 C ATOM 443 O LEU A 42 68.529 39.889-118.815 1.00 0.49 O ATOM 444 CB LEU A 42 68.103 40.280-115.727 1.00 0.32 C ATOM 445 CG LEU A 42 66.927 41.099-116.275 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.605 40.467-115.852 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.998 42.522-115.721 1.00 0.60 C ATOM 0 H LEU A 42 69.615 38.338-115.074 1.00 0.35 H new ATOM 0 HA LEU A 42 67.332 38.659-116.876 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.903 39.979-114.699 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.008 40.888-115.711 1.00 0.32 H new ATOM 0 HG LEU A 42 66.986 41.118-117.363 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.777 41.056-116.246 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.546 39.451-116.243 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.546 40.441-114.764 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.163 43.106-116.109 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.945 42.492-114.633 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.937 42.985-116.026 1.00 0.60 H new ATOM 459 N ALA A 43 70.362 39.153-117.883 1.00 0.30 N ATOM 460 CA ALA A 43 71.153 39.434-119.103 1.00 0.30 C ATOM 461 C ALA A 43 70.977 38.218-119.987 1.00 0.29 C ATOM 462 O ALA A 43 70.924 38.292-121.190 1.00 0.28 O ATOM 463 CB ALA A 43 72.629 39.623-118.743 1.00 0.36 C ATOM 0 H ALA A 43 70.889 38.755-117.106 1.00 0.30 H new ATOM 0 HA ALA A 43 70.824 40.346-119.601 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.201 39.829-119.648 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.731 40.459-118.051 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.008 38.715-118.273 1.00 0.36 H new ATOM 469 N GLU A 44 70.851 37.089-119.367 1.00 0.30 N ATOM 470 CA GLU A 44 70.623 35.868-120.170 1.00 0.32 C ATOM 471 C GLU A 44 69.355 36.142-120.983 1.00 0.30 C ATOM 472 O GLU A 44 69.377 36.197-122.196 1.00 0.34 O ATOM 473 CB GLU A 44 70.426 34.657-119.255 1.00 0.37 C ATOM 474 CG GLU A 44 70.399 33.379-120.096 1.00 1.15 C ATOM 475 CD GLU A 44 69.576 32.310-119.375 1.00 2.05 C ATOM 476 OE1 GLU A 44 69.156 32.567-118.258 1.00 2.80 O ATOM 477 OE2 GLU A 44 69.379 31.254-119.952 1.00 2.92 O ATOM 0 H GLU A 44 70.895 36.958-118.356 1.00 0.30 H new ATOM 0 HA GLU A 44 71.472 35.642-120.815 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.232 34.606-118.523 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.495 34.757-118.697 1.00 0.37 H new ATOM 0 HG2 GLU A 44 69.968 33.585-121.076 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.414 33.020-120.263 1.00 1.15 H new ATOM 484 N LEU A 45 68.255 36.328-120.309 1.00 0.28 N ATOM 485 CA LEU A 45 66.971 36.617-121.024 1.00 0.29 C ATOM 486 C LEU A 45 67.051 37.995-121.709 1.00 0.24 C ATOM 487 O LEU A 45 66.841 38.127-122.890 1.00 0.25 O ATOM 488 CB LEU A 45 65.819 36.627-120.018 1.00 0.34 C ATOM 489 CG LEU A 45 64.494 36.821-120.760 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.674 35.533-120.693 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.706 37.959-120.108 1.00 0.77 C ATOM 0 H LEU A 45 68.185 36.293-119.292 1.00 0.28 H new ATOM 0 HA LEU A 45 66.801 35.846-121.776 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.802 35.691-119.460 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.962 37.428-119.293 1.00 0.34 H new ATOM 0 HG LEU A 45 64.697 37.067-121.802 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.731 35.674-121.222 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.233 34.721-121.158 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.472 35.284-119.651 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.763 38.097-120.636 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.505 37.712-119.065 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.288 38.879-120.157 1.00 0.77 H new ATOM 503 N HIS A 46 67.344 39.013-120.955 1.00 0.21 N ATOM 504 CA HIS A 46 67.427 40.381-121.564 1.00 0.20 C ATOM 505 C HIS A 46 68.269 40.285-122.840 1.00 0.19 C ATOM 506 O HIS A 46 67.889 40.760-123.892 1.00 0.21 O ATOM 507 CB HIS A 46 68.075 41.375-120.601 1.00 0.23 C ATOM 508 CG HIS A 46 68.076 42.748-121.221 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.058 43.599-121.581 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.251 43.408-121.546 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.591 44.767-122.118 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.915 44.600-122.074 1.00 0.31 N flip ATOM 0 H HIS A 46 67.529 38.967-119.953 1.00 0.21 H new ATOM 0 HA HIS A 46 66.421 40.736-121.787 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.530 41.391-119.657 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.095 41.066-120.375 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.063 43.404-121.471 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.254 43.034-121.402 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.050 45.624-122.490 1.00 0.35 H new ATOM 520 N ALA A 47 69.413 39.670-122.741 1.00 0.19 N ATOM 521 CA ALA A 47 70.316 39.523-123.922 1.00 0.22 C ATOM 522 C ALA A 47 69.591 38.786-125.045 1.00 0.21 C ATOM 523 O ALA A 47 69.439 39.293-126.139 1.00 0.22 O ATOM 524 CB ALA A 47 71.551 38.713-123.512 1.00 0.27 C ATOM 0 H ALA A 47 69.769 39.256-121.879 1.00 0.19 H new ATOM 0 HA ALA A 47 70.613 40.512-124.271 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.214 38.602-124.370 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.077 39.232-122.711 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.241 37.728-123.163 1.00 0.27 H new ATOM 530 N ASP A 48 69.144 37.592-124.784 1.00 0.22 N ATOM 531 CA ASP A 48 68.429 36.819-125.840 1.00 0.25 C ATOM 532 C ASP A 48 67.290 37.674-126.388 1.00 0.22 C ATOM 533 O ASP A 48 67.142 37.849-127.581 1.00 0.25 O ATOM 534 CB ASP A 48 67.861 35.530-125.240 1.00 0.28 C ATOM 535 CG ASP A 48 69.010 34.636-124.771 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.133 34.885-125.177 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.746 33.717-124.013 1.00 0.94 O ATOM 0 H ASP A 48 69.241 37.116-123.887 1.00 0.22 H new ATOM 0 HA ASP A 48 69.120 36.562-126.643 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.204 35.765-124.403 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.258 35.006-125.981 1.00 0.28 H new ATOM 542 N LEU A 49 66.496 38.222-125.517 1.00 0.19 N ATOM 543 CA LEU A 49 65.378 39.084-125.970 1.00 0.19 C ATOM 544 C LEU A 49 65.943 40.129-126.925 1.00 0.18 C ATOM 545 O LEU A 49 65.382 40.392-127.965 1.00 0.19 O ATOM 546 CB LEU A 49 64.723 39.767-124.768 1.00 0.18 C ATOM 547 CG LEU A 49 63.752 38.792-124.100 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.059 39.484-122.925 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.697 38.343-125.116 1.00 0.89 C ATOM 0 H LEU A 49 66.574 38.109-124.506 1.00 0.19 H new ATOM 0 HA LEU A 49 64.620 38.485-126.475 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.485 40.085-124.056 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.193 40.664-125.089 1.00 0.18 H new ATOM 0 HG LEU A 49 64.304 37.924-123.739 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.367 38.788-122.450 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.807 39.805-122.200 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.509 40.352-123.287 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.005 37.648-124.639 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.147 39.212-125.477 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.187 37.849-125.955 1.00 0.89 H new ATOM 561 N LYS A 50 67.071 40.708-126.597 1.00 0.20 N ATOM 562 CA LYS A 50 67.676 41.707-127.519 1.00 0.21 C ATOM 563 C LYS A 50 67.959 40.993-128.837 1.00 0.23 C ATOM 564 O LYS A 50 67.497 41.386-129.887 1.00 0.24 O ATOM 565 CB LYS A 50 68.983 42.240-126.927 1.00 0.24 C ATOM 566 CG LYS A 50 68.699 42.920-125.587 1.00 0.36 C ATOM 567 CD LYS A 50 68.701 44.438-125.774 1.00 0.84 C ATOM 568 CE LYS A 50 70.134 44.963-125.666 1.00 1.09 C ATOM 569 NZ LYS A 50 71.029 44.146-126.533 1.00 1.84 N ATOM 0 H LYS A 50 67.592 40.532-125.738 1.00 0.20 H new ATOM 0 HA LYS A 50 67.002 42.550-127.671 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.691 41.423-126.789 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.444 42.948-127.615 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.735 42.592-125.198 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.453 42.632-124.854 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.280 44.696-126.746 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.072 44.909-125.019 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.173 46.009-125.969 1.00 1.09 H new ATOM 0 HE3 LYS A 50 70.472 44.918-124.631 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.977 44.573-126.553 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.092 43.180-126.154 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.643 44.114-127.498 1.00 1.84 H new ATOM 583 N ILE A 51 68.718 39.937-128.783 1.00 0.25 N ATOM 584 CA ILE A 51 69.017 39.201-130.036 1.00 0.27 C ATOM 585 C ILE A 51 67.705 39.111-130.810 1.00 0.26 C ATOM 586 O ILE A 51 67.590 39.588-131.930 1.00 0.25 O ATOM 587 CB ILE A 51 69.528 37.797-129.713 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.043 37.842-129.504 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.203 36.854-130.873 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.373 38.830-128.384 1.00 0.30 C ATOM 0 H ILE A 51 69.139 39.556-127.936 1.00 0.25 H new ATOM 0 HA ILE A 51 69.786 39.710-130.616 1.00 0.27 H new ATOM 0 HB ILE A 51 69.045 37.436-128.805 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.416 36.850-129.250 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.540 38.142-130.427 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.568 35.853-130.642 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.124 36.821-131.024 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.685 37.215-131.781 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.452 38.863-128.234 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.014 39.822-128.657 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.888 38.510-127.462 1.00 0.30 H new ATOM 602 N GLN A 52 66.690 38.547-130.212 1.00 0.26 N ATOM 603 CA GLN A 52 65.384 38.480-130.905 1.00 0.27 C ATOM 604 C GLN A 52 64.968 39.906-131.266 1.00 0.24 C ATOM 605 O GLN A 52 64.224 40.121-132.184 1.00 0.26 O ATOM 606 CB GLN A 52 64.344 37.857-129.971 1.00 0.32 C ATOM 607 CG GLN A 52 62.940 38.144-130.505 1.00 0.45 C ATOM 608 CD GLN A 52 62.825 37.624-131.938 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.529 38.077-132.819 1.00 1.00 O ATOM 610 NE2 GLN A 52 61.959 36.686-132.213 1.00 0.48 N ATOM 0 H GLN A 52 66.714 38.134-129.280 1.00 0.26 H new ATOM 0 HA GLN A 52 65.458 37.870-131.805 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.504 36.781-129.898 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.452 38.264-128.966 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.193 37.665-129.872 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.741 39.215-130.478 1.00 0.45 H new ATOM 0 HE21 GLN A 52 61.368 36.305-131.474 1.00 0.48 H new ATOM 0 HE22 GLN A 52 61.874 36.334-133.167 1.00 0.48 H new ATOM 619 N GLU A 53 65.434 40.877-130.525 1.00 0.23 N ATOM 620 CA GLU A 53 65.059 42.292-130.825 1.00 0.23 C ATOM 621 C GLU A 53 65.754 42.733-132.110 1.00 0.20 C ATOM 622 O GLU A 53 65.228 43.513-132.875 1.00 0.21 O ATOM 623 CB GLU A 53 65.491 43.211-129.683 1.00 0.25 C ATOM 624 CG GLU A 53 64.946 44.617-129.940 1.00 0.28 C ATOM 625 CD GLU A 53 65.465 45.571-128.864 1.00 0.33 C ATOM 626 OE1 GLU A 53 65.670 45.121-127.749 1.00 1.09 O ATOM 627 OE2 GLU A 53 65.651 46.737-129.174 1.00 1.04 O ATOM 0 H GLU A 53 66.057 40.753-129.727 1.00 0.23 H new ATOM 0 HA GLU A 53 63.977 42.354-130.941 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.117 42.831-128.732 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.578 43.236-129.611 1.00 0.25 H new ATOM 0 HG2 GLU A 53 65.254 44.963-130.927 1.00 0.28 H new ATOM 0 HG3 GLU A 53 63.856 44.603-129.933 1.00 0.28 H new ATOM 634 N ARG A 54 66.933 42.235-132.358 1.00 0.22 N ATOM 635 CA ARG A 54 67.656 42.618-133.601 1.00 0.22 C ATOM 636 C ARG A 54 66.996 41.910-134.778 1.00 0.20 C ATOM 637 O ARG A 54 66.914 42.425-135.879 1.00 0.21 O ATOM 638 CB ARG A 54 69.107 42.160-133.496 1.00 0.24 C ATOM 639 CG ARG A 54 69.876 43.110-132.582 1.00 0.27 C ATOM 640 CD ARG A 54 70.864 43.934-133.410 1.00 0.85 C ATOM 641 NE ARG A 54 71.419 45.034-132.572 1.00 1.55 N ATOM 642 CZ ARG A 54 72.484 45.679-132.961 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.064 45.362-134.086 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.969 46.641-132.225 1.00 3.03 N ATOM 0 H ARG A 54 67.427 41.579-131.753 1.00 0.22 H new ATOM 0 HA ARG A 54 67.622 43.699-133.740 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.151 41.144-133.103 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.565 42.139-134.485 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.183 43.771-132.062 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.410 42.544-131.819 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.670 43.297-133.773 1.00 0.85 H new ATOM 0 HD3 ARG A 54 70.365 44.347-134.287 1.00 0.85 H new ATOM 0 HE ARG A 54 70.966 45.283-131.693 1.00 1.55 H new ATOM 0 HH11 ARG A 54 72.685 44.610-134.661 1.00 2.40 H new ATOM 0 HH12 ARG A 54 73.897 45.866-134.390 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.515 46.889-131.346 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.802 47.145-132.529 1.00 3.03 H new ATOM 658 N ASP A 55 66.493 40.740-134.527 1.00 0.20 N ATOM 659 CA ASP A 55 65.801 39.977-135.605 1.00 0.21 C ATOM 660 C ASP A 55 64.348 40.458-135.707 1.00 0.21 C ATOM 661 O ASP A 55 63.795 40.608-136.784 1.00 0.20 O ATOM 662 CB ASP A 55 65.829 38.484-135.270 1.00 0.25 C ATOM 663 CG ASP A 55 67.254 38.072-134.895 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.180 38.660-135.428 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.395 37.176-134.079 1.00 0.94 O ATOM 0 H ASP A 55 66.529 40.274-133.620 1.00 0.20 H new ATOM 0 HA ASP A 55 66.306 40.140-136.557 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.149 38.273-134.445 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.484 37.902-136.125 1.00 0.25 H new ATOM 670 N GLU A 56 63.741 40.748-134.594 1.00 0.27 N ATOM 671 CA GLU A 56 62.347 41.255-134.612 1.00 0.32 C ATOM 672 C GLU A 56 62.381 42.666-135.156 1.00 0.30 C ATOM 673 O GLU A 56 61.666 43.005-136.067 1.00 0.31 O ATOM 674 CB GLU A 56 61.761 41.256-133.200 1.00 0.39 C ATOM 675 CG GLU A 56 61.138 39.890-132.908 1.00 0.44 C ATOM 676 CD GLU A 56 59.680 39.885-133.372 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.236 40.903-133.878 1.00 1.72 O ATOM 678 OE2 GLU A 56 59.032 38.864-133.212 1.00 1.39 O ATOM 0 H GLU A 56 64.155 40.654-133.666 1.00 0.27 H new ATOM 0 HA GLU A 56 61.721 40.615-135.235 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.541 41.476-132.471 1.00 0.39 H new ATOM 0 HB3 GLU A 56 61.008 42.039-133.107 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.697 39.107-133.420 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.192 39.674-131.841 1.00 0.44 H new ATOM 685 N LEU A 57 63.246 43.485-134.644 1.00 0.30 N ATOM 686 CA LEU A 57 63.337 44.850-135.199 1.00 0.32 C ATOM 687 C LEU A 57 63.635 44.671-136.683 1.00 0.28 C ATOM 688 O LEU A 57 62.998 45.252-137.541 1.00 0.29 O ATOM 689 CB LEU A 57 64.470 45.632-134.527 1.00 0.36 C ATOM 690 CG LEU A 57 64.046 46.057-133.120 1.00 0.50 C ATOM 691 CD1 LEU A 57 65.188 46.830-132.457 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.812 46.958-133.206 1.00 1.22 C ATOM 0 H LEU A 57 63.884 43.272-133.877 1.00 0.30 H new ATOM 0 HA LEU A 57 62.417 45.410-135.031 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.368 45.016-134.475 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.720 46.510-135.122 1.00 0.36 H new ATOM 0 HG LEU A 57 63.810 45.171-132.531 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.888 47.134-131.454 1.00 1.08 H new ATOM 0 HD12 LEU A 57 66.070 46.193-132.394 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.421 47.715-133.050 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.511 47.260-132.203 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.049 47.844-133.796 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.996 46.413-133.681 1.00 1.22 H new ATOM 704 N ALA A 58 64.575 43.812-136.992 1.00 0.25 N ATOM 705 CA ALA A 58 64.874 43.541-138.420 1.00 0.24 C ATOM 706 C ALA A 58 63.566 43.087-139.065 1.00 0.21 C ATOM 707 O ALA A 58 63.361 43.211-140.256 1.00 0.21 O ATOM 708 CB ALA A 58 65.924 42.434-138.533 1.00 0.24 C ATOM 0 H ALA A 58 65.140 43.294-136.319 1.00 0.25 H new ATOM 0 HA ALA A 58 65.268 44.429-138.914 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.138 42.241-139.584 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.838 42.747-138.028 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.545 41.524-138.067 1.00 0.24 H new ATOM 714 N TRP A 59 62.664 42.586-138.258 1.00 0.19 N ATOM 715 CA TRP A 59 61.348 42.149-138.796 1.00 0.18 C ATOM 716 C TRP A 59 60.438 43.374-138.976 1.00 0.20 C ATOM 717 O TRP A 59 59.995 43.664-140.071 1.00 0.30 O ATOM 718 CB TRP A 59 60.680 41.148-137.854 1.00 0.19 C ATOM 719 CG TRP A 59 59.441 40.642-138.512 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.380 39.589-139.363 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.086 41.158-138.398 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.074 39.431-139.783 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.236 40.374-139.212 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.520 42.219-137.672 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.868 40.639-139.303 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.145 42.487-137.759 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.321 41.698-138.573 1.00 0.39 C ATOM 0 H TRP A 59 62.786 42.463-137.253 1.00 0.19 H new ATOM 0 HA TRP A 59 61.509 41.662-139.758 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.357 40.323-137.634 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.438 41.624-136.904 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.216 38.974-139.663 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.765 38.709-140.434 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.147 42.833-137.042 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.237 40.030-139.933 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.720 43.305-137.196 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.264 41.908-138.636 1.00 0.39 H new ATOM 738 N LYS A 60 60.148 44.095-137.917 1.00 0.27 N ATOM 739 CA LYS A 60 59.263 45.283-138.082 1.00 0.30 C ATOM 740 C LYS A 60 59.722 45.984-139.356 1.00 0.29 C ATOM 741 O LYS A 60 58.942 46.536-140.109 1.00 0.31 O ATOM 742 CB LYS A 60 59.394 46.226-136.883 1.00 0.38 C ATOM 743 CG LYS A 60 60.588 47.159-137.087 1.00 0.42 C ATOM 744 CD LYS A 60 60.872 47.914-135.787 1.00 1.08 C ATOM 745 CE LYS A 60 59.790 48.973-135.564 1.00 1.53 C ATOM 746 NZ LYS A 60 58.577 48.329-134.987 1.00 2.27 N ATOM 0 H LYS A 60 60.479 43.915-136.969 1.00 0.27 H new ATOM 0 HA LYS A 60 58.216 44.985-138.144 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.481 46.809-136.766 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.524 45.649-135.967 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.465 46.585-137.386 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.379 47.864-137.892 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.894 47.219-134.948 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.853 48.386-135.835 1.00 1.08 H new ATOM 0 HE2 LYS A 60 60.158 49.748-134.892 1.00 1.53 H new ATOM 0 HE3 LYS A 60 59.543 49.460-136.507 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.207 48.916-134.212 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 57.851 48.233-135.725 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.825 47.388-134.620 1.00 2.27 H new ATOM 760 N LYS A 61 60.996 45.905-139.618 1.00 0.28 N ATOM 761 CA LYS A 61 61.530 46.505-140.863 1.00 0.30 C ATOM 762 C LYS A 61 61.069 45.630-142.026 1.00 0.27 C ATOM 763 O LYS A 61 60.539 46.111-142.997 1.00 0.35 O ATOM 764 CB LYS A 61 63.057 46.554-140.823 1.00 0.35 C ATOM 765 CG LYS A 61 63.518 47.204-139.518 1.00 0.40 C ATOM 766 CD LYS A 61 64.384 48.427-139.830 1.00 0.77 C ATOM 767 CE LYS A 61 63.500 49.555-140.365 1.00 1.42 C ATOM 768 NZ LYS A 61 64.343 50.543-141.096 1.00 2.43 N ATOM 0 H LYS A 61 61.688 45.450-139.022 1.00 0.28 H new ATOM 0 HA LYS A 61 61.166 47.526-140.976 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.465 45.546-140.903 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.435 47.119-141.675 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.654 47.500-138.923 1.00 0.40 H new ATOM 0 HG3 LYS A 61 64.084 46.487-138.923 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.906 48.755-138.931 1.00 0.77 H new ATOM 0 HD3 LYS A 61 65.146 48.168-140.565 1.00 0.77 H new ATOM 0 HE2 LYS A 61 62.737 49.149-141.030 1.00 1.42 H new ATOM 0 HE3 LYS A 61 62.979 50.044-139.542 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 63.742 51.310-141.460 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 65.055 50.938-140.449 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 64.821 50.071-141.890 1.00 2.43 H new ATOM 782 N LEU A 62 61.265 44.338-141.933 1.00 0.24 N ATOM 783 CA LEU A 62 60.828 43.439-143.036 1.00 0.24 C ATOM 784 C LEU A 62 59.409 43.800-143.441 1.00 0.24 C ATOM 785 O LEU A 62 59.142 44.186-144.561 1.00 0.26 O ATOM 786 CB LEU A 62 60.813 41.991-142.543 1.00 0.24 C ATOM 787 CG LEU A 62 62.188 41.353-142.727 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.434 40.350-141.600 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.230 40.624-144.072 1.00 0.41 C ATOM 0 H LEU A 62 61.708 43.871-141.141 1.00 0.24 H new ATOM 0 HA LEU A 62 61.514 43.550-143.876 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.529 41.961-141.491 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.064 41.421-143.092 1.00 0.24 H new ATOM 0 HG LEU A 62 62.957 42.125-142.704 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.415 39.892-141.728 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.396 40.865-140.640 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.666 39.577-141.627 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.210 40.167-144.208 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.463 39.850-144.090 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.047 41.335-144.877 1.00 0.41 H new ATOM 801 N LYS A 63 58.493 43.647-142.532 1.00 0.24 N ATOM 802 CA LYS A 63 57.073 43.949-142.856 1.00 0.26 C ATOM 803 C LYS A 63 56.959 45.395-143.345 1.00 0.29 C ATOM 804 O LYS A 63 56.206 45.697-144.248 1.00 0.30 O ATOM 805 CB LYS A 63 56.201 43.755-141.614 1.00 0.34 C ATOM 806 CG LYS A 63 56.231 45.022-140.759 1.00 0.46 C ATOM 807 CD LYS A 63 55.429 44.789-139.480 1.00 0.41 C ATOM 808 CE LYS A 63 54.437 45.936-139.281 1.00 0.58 C ATOM 809 NZ LYS A 63 53.561 46.049-140.482 1.00 1.20 N ATOM 0 H LYS A 63 58.664 43.326-141.579 1.00 0.24 H new ATOM 0 HA LYS A 63 56.731 43.272-143.639 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.177 43.528-141.909 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.561 42.905-141.034 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.260 45.284-140.514 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.813 45.860-141.316 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.896 43.840-139.541 1.00 0.41 H new ATOM 0 HD3 LYS A 63 56.101 44.723-138.624 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.832 45.758-138.392 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.973 46.871-139.120 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.589 46.269-140.184 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.914 46.808-141.099 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.568 45.149-141.003 1.00 1.20 H new ATOM 823 N LEU A 64 57.713 46.292-142.763 1.00 0.33 N ATOM 824 CA LEU A 64 57.664 47.715-143.201 1.00 0.43 C ATOM 825 C LEU A 64 58.087 47.810-144.670 1.00 0.52 C ATOM 826 O LEU A 64 57.439 48.437-145.485 1.00 0.75 O ATOM 827 CB LEU A 64 58.636 48.516-142.329 1.00 0.38 C ATOM 828 CG LEU A 64 57.918 48.992-141.065 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.940 49.562-140.081 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.907 50.078-141.435 1.00 1.23 C ATOM 0 H LEU A 64 58.362 46.097-142.001 1.00 0.33 H new ATOM 0 HA LEU A 64 56.654 48.111-143.098 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.494 47.899-142.062 1.00 0.38 H new ATOM 0 HB3 LEU A 64 59.020 49.371-142.885 1.00 0.38 H new ATOM 0 HG LEU A 64 57.399 48.152-140.603 1.00 0.50 H new ATOM 0 HD11 LEU A 64 58.428 49.901-139.180 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.663 48.789-139.819 1.00 1.10 H new ATOM 0 HD13 LEU A 64 59.459 50.403-140.542 1.00 1.10 H new ATOM 0 HD21 LEU A 64 56.394 50.419-140.536 1.00 1.23 H new ATOM 0 HD22 LEU A 64 57.427 50.917-141.896 1.00 1.23 H new ATOM 0 HD23 LEU A 64 56.178 49.673-142.137 1.00 1.23 H new ATOM 842 N ASP A 65 59.174 47.180-144.998 1.00 0.45 N ATOM 843 CA ASP A 65 59.671 47.203-146.398 1.00 0.60 C ATOM 844 C ASP A 65 58.865 46.209-147.232 1.00 0.96 C ATOM 845 O ASP A 65 59.058 46.085-148.424 1.00 0.98 O ATOM 846 CB ASP A 65 61.150 46.809-146.422 1.00 0.53 C ATOM 847 CG ASP A 65 61.982 47.907-145.755 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.439 48.975-145.522 1.00 1.31 O ATOM 849 OD2 ASP A 65 63.147 47.662-145.490 1.00 1.14 O ATOM 0 H ASP A 65 59.748 46.643-144.348 1.00 0.45 H new ATOM 0 HA ASP A 65 59.558 48.205-146.811 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.294 45.862-145.901 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.481 46.661-147.450 1.00 0.53 H new ATOM 854 N GLY A 66 57.962 45.493-146.614 1.00 1.30 N ATOM 855 CA GLY A 66 57.153 44.506-147.378 1.00 1.72 C ATOM 856 C GLY A 66 58.057 43.358-147.821 1.00 0.91 C ATOM 857 O GLY A 66 58.254 43.133-148.999 1.00 1.14 O ATOM 0 H GLY A 66 57.753 45.551-145.617 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.339 44.127-146.760 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.698 44.983-148.246 1.00 1.72 H new ATOM 861 N LEU A 67 58.617 42.632-146.891 1.00 0.37 N ATOM 862 CA LEU A 67 59.509 41.511-147.279 1.00 1.03 C ATOM 863 C LEU A 67 58.882 40.176-146.884 1.00 0.91 C ATOM 864 O LEU A 67 58.931 39.220-147.634 1.00 1.09 O ATOM 865 CB LEU A 67 60.862 41.672-146.589 1.00 1.69 C ATOM 866 CG LEU A 67 61.766 42.559-147.448 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.010 42.954-146.650 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.189 41.788-148.702 1.00 2.68 C ATOM 0 H LEU A 67 58.494 42.768-145.888 1.00 0.37 H new ATOM 0 HA LEU A 67 59.649 41.526-148.360 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.729 42.116-145.602 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.325 40.697-146.440 1.00 1.69 H new ATOM 0 HG LEU A 67 61.222 43.459-147.736 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.651 43.585-147.265 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.710 43.502-145.757 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.556 42.056-146.359 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.833 42.417-149.316 1.00 2.68 H new ATOM 0 HD22 LEU A 67 62.732 40.889-148.410 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.304 41.508-149.273 1.00 2.68 H new ATOM 880 N ASP A 68 58.246 40.100-145.747 1.00 0.69 N ATOM 881 CA ASP A 68 57.569 38.834-145.356 1.00 0.59 C ATOM 882 C ASP A 68 56.061 39.053-145.362 1.00 0.59 C ATOM 883 O ASP A 68 55.530 39.616-144.425 1.00 0.59 O ATOM 884 CB ASP A 68 57.995 38.454-143.932 1.00 0.53 C ATOM 885 CG ASP A 68 57.757 36.959-143.714 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.298 36.311-144.640 1.00 0.97 O ATOM 887 OD2 ASP A 68 58.036 36.488-142.624 1.00 1.19 O ATOM 0 H ASP A 68 58.167 40.861-145.072 1.00 0.69 H new ATOM 0 HA ASP A 68 57.841 38.044-146.056 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.048 38.692-143.779 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.428 39.034-143.204 1.00 0.53 H new ATOM 892 N GLU A 69 55.329 38.602-146.343 1.00 0.63 N ATOM 893 CA GLU A 69 53.862 38.797-146.270 1.00 0.69 C ATOM 894 C GLU A 69 53.308 37.601-145.512 1.00 0.71 C ATOM 895 O GLU A 69 52.436 37.717-144.674 1.00 0.77 O ATOM 896 CB GLU A 69 53.269 38.844-147.680 1.00 0.73 C ATOM 897 CG GLU A 69 53.540 37.518-148.393 1.00 0.75 C ATOM 898 CD GLU A 69 53.123 37.631-149.860 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.529 38.637-150.211 1.00 2.06 O ATOM 900 OE2 GLU A 69 53.404 36.709-150.609 1.00 1.82 O ATOM 0 H GLU A 69 55.676 38.119-147.172 1.00 0.63 H new ATOM 0 HA GLU A 69 53.611 39.733-145.772 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.196 39.029-147.629 1.00 0.73 H new ATOM 0 HB3 GLU A 69 53.708 39.668-148.243 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.598 37.265-148.323 1.00 0.75 H new ATOM 0 HG3 GLU A 69 52.988 36.713-147.908 1.00 0.75 H new ATOM 907 N ASP A 70 53.846 36.446-145.795 1.00 0.72 N ATOM 908 CA ASP A 70 53.394 35.221-145.082 1.00 0.78 C ATOM 909 C ASP A 70 53.723 35.414-143.607 1.00 0.69 C ATOM 910 O ASP A 70 53.127 34.820-142.730 1.00 0.84 O ATOM 911 CB ASP A 70 54.136 33.999-145.625 1.00 0.83 C ATOM 912 CG ASP A 70 53.673 33.714-147.055 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.687 34.302-147.467 1.00 1.43 O ATOM 914 OD2 ASP A 70 54.314 32.912-147.715 1.00 1.34 O ATOM 0 H ASP A 70 54.579 36.299-146.489 1.00 0.72 H new ATOM 0 HA ASP A 70 52.325 35.060-145.224 1.00 0.78 H new ATOM 0 HB2 ASP A 70 55.211 34.176-145.608 1.00 0.83 H new ATOM 0 HB3 ASP A 70 53.946 33.133-144.991 1.00 0.83 H new ATOM 919 N GLY A 71 54.670 36.269-143.344 1.00 0.50 N ATOM 920 CA GLY A 71 55.063 36.557-141.942 1.00 0.43 C ATOM 921 C GLY A 71 55.852 35.386-141.359 1.00 0.34 C ATOM 922 O GLY A 71 55.991 35.274-140.159 1.00 0.31 O ATOM 0 H GLY A 71 55.193 36.786-144.051 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.666 37.464-141.906 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.174 36.741-141.339 1.00 0.43 H new ATOM 926 N GLU A 72 56.381 34.511-142.176 1.00 0.36 N ATOM 927 CA GLU A 72 57.156 33.381-141.593 1.00 0.34 C ATOM 928 C GLU A 72 58.288 33.978-140.761 1.00 0.30 C ATOM 929 O GLU A 72 58.463 33.651-139.607 1.00 0.30 O ATOM 930 CB GLU A 72 57.738 32.519-142.717 1.00 0.40 C ATOM 931 CG GLU A 72 58.513 31.347-142.112 1.00 1.23 C ATOM 932 CD GLU A 72 59.214 30.570-143.228 1.00 1.97 C ATOM 933 OE1 GLU A 72 58.519 30.003-144.055 1.00 2.68 O ATOM 934 OE2 GLU A 72 60.434 30.554-143.234 1.00 2.64 O ATOM 0 H GLU A 72 56.312 34.529-143.194 1.00 0.36 H new ATOM 0 HA GLU A 72 56.514 32.754-140.973 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.937 32.148-143.357 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.396 33.118-143.346 1.00 0.40 H new ATOM 0 HG2 GLU A 72 59.246 31.714-141.394 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.834 30.690-141.568 1.00 1.23 H new ATOM 941 N LYS A 73 59.057 34.858-141.339 1.00 0.31 N ATOM 942 CA LYS A 73 60.168 35.475-140.568 1.00 0.33 C ATOM 943 C LYS A 73 59.618 35.894-139.208 1.00 0.29 C ATOM 944 O LYS A 73 60.267 35.763-138.181 1.00 0.29 O ATOM 945 CB LYS A 73 60.706 36.692-141.326 1.00 0.38 C ATOM 946 CG LYS A 73 60.929 36.320-142.796 1.00 0.55 C ATOM 947 CD LYS A 73 61.763 37.400-143.484 1.00 1.07 C ATOM 948 CE LYS A 73 63.251 37.119-143.255 1.00 1.38 C ATOM 949 NZ LYS A 73 64.060 37.891-144.240 1.00 2.36 N ATOM 0 H LYS A 73 58.964 35.174-142.304 1.00 0.31 H new ATOM 0 HA LYS A 73 60.986 34.767-140.436 1.00 0.33 H new ATOM 0 HB2 LYS A 73 60.002 37.521-141.252 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.641 37.028-140.879 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.437 35.358-142.864 1.00 0.55 H new ATOM 0 HG3 LYS A 73 59.970 36.211-143.302 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.545 37.417-144.552 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.502 38.382-143.090 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.532 37.397-142.239 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.451 36.053-143.360 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.776 37.268-144.666 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.437 38.263-144.985 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 64.532 38.682-143.757 1.00 2.36 H new ATOM 963 N GLU A 74 58.386 36.312-139.183 1.00 0.28 N ATOM 964 CA GLU A 74 57.748 36.660-137.893 1.00 0.28 C ATOM 965 C GLU A 74 57.466 35.341-137.188 1.00 0.26 C ATOM 966 O GLU A 74 57.515 35.229-135.989 1.00 0.27 O ATOM 967 CB GLU A 74 56.441 37.405-138.158 1.00 0.31 C ATOM 968 CG GLU A 74 56.033 38.179-136.909 1.00 0.37 C ATOM 969 CD GLU A 74 56.929 39.405-136.732 1.00 0.47 C ATOM 970 OE1 GLU A 74 58.129 39.271-136.896 1.00 1.11 O ATOM 971 OE2 GLU A 74 56.396 40.460-136.428 1.00 1.14 O ATOM 0 H GLU A 74 57.794 36.427-140.005 1.00 0.28 H new ATOM 0 HA GLU A 74 58.386 37.302-137.285 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.564 38.089-138.998 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.657 36.699-138.433 1.00 0.31 H new ATOM 0 HG2 GLU A 74 54.991 38.489-136.989 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.108 37.535-136.033 1.00 0.37 H new ATOM 978 N ALA A 75 57.181 34.344-137.966 1.00 0.25 N ATOM 979 CA ALA A 75 56.914 33.009-137.377 1.00 0.27 C ATOM 980 C ALA A 75 58.199 32.569-136.692 1.00 0.26 C ATOM 981 O ALA A 75 58.254 32.458-135.487 1.00 0.27 O ATOM 982 CB ALA A 75 56.523 32.010-138.468 1.00 0.30 C ATOM 0 H ALA A 75 57.121 34.394-138.983 1.00 0.25 H new ATOM 0 HA ALA A 75 56.087 33.054-136.668 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.331 31.036-138.018 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.624 32.359-138.975 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.336 31.922-139.189 1.00 0.30 H new ATOM 988 N ARG A 76 59.234 32.308-137.436 1.00 0.28 N ATOM 989 CA ARG A 76 60.498 31.868-136.790 1.00 0.31 C ATOM 990 C ARG A 76 60.808 32.768-135.600 1.00 0.28 C ATOM 991 O ARG A 76 61.303 32.313-134.588 1.00 0.30 O ATOM 992 CB ARG A 76 61.645 31.932-137.800 1.00 0.35 C ATOM 993 CG ARG A 76 61.323 31.034-138.997 1.00 0.66 C ATOM 994 CD ARG A 76 62.600 30.769-139.795 1.00 1.00 C ATOM 995 NE ARG A 76 62.277 29.942-140.991 1.00 1.51 N ATOM 996 CZ ARG A 76 63.137 29.841-141.967 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.281 30.465-141.895 1.00 2.34 N ATOM 998 NH2 ARG A 76 62.853 29.117-143.014 1.00 3.14 N ATOM 0 H ARG A 76 59.261 32.379-138.453 1.00 0.28 H new ATOM 0 HA ARG A 76 60.384 30.841-136.443 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.794 32.959-138.132 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.575 31.611-137.331 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.894 30.092-138.654 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.577 31.511-139.633 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.051 31.712-140.103 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.331 30.255-139.171 1.00 1.00 H new ATOM 0 HE ARG A 76 61.383 29.454-141.047 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.502 31.031-141.076 1.00 2.34 H new ATOM 0 HH12 ARG A 76 64.954 30.386-142.658 1.00 2.34 H new ATOM 0 HH21 ARG A 76 61.959 28.630-143.070 1.00 3.14 H new ATOM 0 HH22 ARG A 76 63.525 29.038-143.777 1.00 3.14 H new ATOM 1012 N LEU A 77 60.508 34.032-135.687 1.00 0.30 N ATOM 1013 CA LEU A 77 60.784 34.915-134.520 1.00 0.31 C ATOM 1014 C LEU A 77 59.815 34.548-133.395 1.00 0.29 C ATOM 1015 O LEU A 77 60.212 34.175-132.309 1.00 0.30 O ATOM 1016 CB LEU A 77 60.595 36.378-134.925 1.00 0.35 C ATOM 1017 CG LEU A 77 61.683 36.764-135.929 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.269 38.027-136.682 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.995 37.027-135.190 1.00 0.38 C ATOM 0 H LEU A 77 60.091 34.487-136.499 1.00 0.30 H new ATOM 0 HA LEU A 77 61.811 34.780-134.179 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.609 36.522-135.366 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.648 37.021-134.047 1.00 0.35 H new ATOM 0 HG LEU A 77 61.819 35.947-136.637 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.048 38.297-137.395 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.336 37.843-137.215 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.127 38.843-135.973 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.768 37.302-135.908 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.855 37.841-134.478 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.299 36.126-134.656 1.00 0.38 H new ATOM 1031 N ILE A 78 58.543 34.640-133.659 1.00 0.29 N ATOM 1032 CA ILE A 78 57.526 34.288-132.635 1.00 0.32 C ATOM 1033 C ILE A 78 57.881 32.946-132.004 1.00 0.30 C ATOM 1034 O ILE A 78 57.853 32.790-130.804 1.00 0.32 O ATOM 1035 CB ILE A 78 56.161 34.184-133.299 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.769 35.560-133.817 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.127 33.706-132.278 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.811 35.400-134.989 1.00 0.37 C ATOM 0 H ILE A 78 58.161 34.948-134.553 1.00 0.29 H new ATOM 0 HA ILE A 78 57.504 35.058-131.864 1.00 0.32 H new ATOM 0 HB ILE A 78 56.200 33.471-134.123 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.298 36.140-133.023 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.656 36.110-134.130 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.150 33.632-132.756 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.418 32.728-131.896 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.074 34.417-131.453 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.527 36.383-135.364 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.299 34.836-135.784 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.920 34.866-134.660 1.00 0.37 H new ATOM 1050 N ARG A 79 58.224 31.977-132.807 1.00 0.29 N ATOM 1051 CA ARG A 79 58.594 30.645-132.239 1.00 0.32 C ATOM 1052 C ARG A 79 59.855 30.804-131.386 1.00 0.26 C ATOM 1053 O ARG A 79 59.964 30.242-130.317 1.00 0.26 O ATOM 1054 CB ARG A 79 58.861 29.657-133.375 1.00 0.38 C ATOM 1055 CG ARG A 79 59.725 28.505-132.858 1.00 0.39 C ATOM 1056 CD ARG A 79 59.608 27.312-133.809 1.00 0.39 C ATOM 1057 NE ARG A 79 60.355 27.604-135.066 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.643 26.636-135.892 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.277 25.414-135.621 1.00 2.28 N ATOM 1060 NH2 ARG A 79 61.299 26.891-136.993 1.00 3.27 N ATOM 0 H ARG A 79 58.265 32.046-133.824 1.00 0.29 H new ATOM 0 HA ARG A 79 57.778 30.266-131.624 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.919 29.272-133.765 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.365 30.162-134.199 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.765 28.822-132.782 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.405 28.218-131.856 1.00 0.39 H new ATOM 0 HD2 ARG A 79 60.008 26.415-133.336 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.560 27.114-134.034 1.00 0.39 H new ATOM 0 HE ARG A 79 60.641 28.560-135.280 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.765 25.214-134.762 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.503 24.659-136.268 1.00 2.28 H new ATOM 0 HH21 ARG A 79 61.586 27.846-137.206 1.00 3.27 H new ATOM 0 HH22 ARG A 79 61.524 26.135-137.639 1.00 3.27 H new ATOM 1074 N ASN A 80 60.806 31.578-131.841 1.00 0.23 N ATOM 1075 CA ASN A 80 62.046 31.777-131.034 1.00 0.21 C ATOM 1076 C ASN A 80 61.681 32.532-129.762 1.00 0.21 C ATOM 1077 O ASN A 80 62.329 32.401-128.741 1.00 0.22 O ATOM 1078 CB ASN A 80 63.068 32.581-131.839 1.00 0.23 C ATOM 1079 CG ASN A 80 63.288 31.914-133.198 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.855 30.801-133.419 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.947 32.553-134.126 1.00 1.15 N ATOM 0 H ASN A 80 60.778 32.077-132.730 1.00 0.23 H new ATOM 0 HA ASN A 80 62.483 30.811-130.782 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.715 33.603-131.977 1.00 0.23 H new ATOM 0 HB3 ASN A 80 64.010 32.640-131.294 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.098 32.118-135.036 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.311 33.488-133.941 1.00 1.15 H new ATOM 1088 N LEU A 81 60.602 33.262-129.791 1.00 0.23 N ATOM 1089 CA LEU A 81 60.160 33.957-128.558 1.00 0.28 C ATOM 1090 C LEU A 81 59.512 32.887-127.703 1.00 0.30 C ATOM 1091 O LEU A 81 59.828 32.703-126.546 1.00 0.31 O ATOM 1092 CB LEU A 81 59.136 35.043-128.901 1.00 0.35 C ATOM 1093 CG LEU A 81 59.865 36.341-129.252 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.900 37.296-129.956 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.384 36.996-127.971 1.00 1.26 C ATOM 0 H LEU A 81 60.012 33.405-130.611 1.00 0.23 H new ATOM 0 HA LEU A 81 60.991 34.442-128.046 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.518 34.723-129.740 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.467 35.206-128.056 1.00 0.35 H new ATOM 0 HG LEU A 81 60.702 36.119-129.913 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.421 38.221-130.206 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.529 36.831-130.869 1.00 1.28 H new ATOM 0 HD13 LEU A 81 58.062 37.518-129.296 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.904 37.921-128.220 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.546 37.217-127.310 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.073 36.317-127.468 1.00 1.26 H new ATOM 1107 N ASN A 82 58.623 32.153-128.304 1.00 0.35 N ATOM 1108 CA ASN A 82 57.949 31.047-127.594 1.00 0.42 C ATOM 1109 C ASN A 82 59.010 30.191-126.916 1.00 0.37 C ATOM 1110 O ASN A 82 59.039 30.066-125.710 1.00 0.38 O ATOM 1111 CB ASN A 82 57.173 30.226-128.629 1.00 0.51 C ATOM 1112 CG ASN A 82 55.775 30.819-128.811 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.620 32.019-128.914 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.742 30.023-128.854 1.00 0.98 N ATOM 0 H ASN A 82 58.333 32.278-129.274 1.00 0.35 H new ATOM 0 HA ASN A 82 57.260 31.419-126.836 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.705 30.225-129.580 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.099 29.188-128.304 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.805 30.409-128.974 1.00 0.98 H new ATOM 0 HD22 ASN A 82 54.871 29.015-128.768 1.00 0.98 H new ATOM 1121 N VAL A 83 59.899 29.615-127.672 1.00 0.35 N ATOM 1122 CA VAL A 83 60.966 28.789-127.054 1.00 0.36 C ATOM 1123 C VAL A 83 61.629 29.608-125.949 1.00 0.32 C ATOM 1124 O VAL A 83 61.736 29.174-124.824 1.00 0.35 O ATOM 1125 CB VAL A 83 62.009 28.421-128.112 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.835 27.230-127.624 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.303 28.049-129.419 1.00 0.44 C ATOM 0 H VAL A 83 59.932 29.681-128.689 1.00 0.35 H new ATOM 0 HA VAL A 83 60.540 27.874-126.642 1.00 0.36 H new ATOM 0 HB VAL A 83 62.666 29.273-128.283 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.577 26.969-128.378 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.339 27.493-126.694 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.178 26.378-127.451 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.046 27.787-130.172 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.645 27.197-129.247 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.715 28.897-129.769 1.00 0.44 H new ATOM 1137 N ILE A 84 62.075 30.791-126.265 1.00 0.27 N ATOM 1138 CA ILE A 84 62.727 31.623-125.219 1.00 0.30 C ATOM 1139 C ILE A 84 61.885 31.545-123.945 1.00 0.31 C ATOM 1140 O ILE A 84 62.371 31.216-122.876 1.00 0.37 O ATOM 1141 CB ILE A 84 62.815 33.069-125.681 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.980 33.205-126.657 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.054 33.976-124.472 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.753 34.424-127.540 1.00 0.37 C ATOM 0 H ILE A 84 62.017 31.214-127.192 1.00 0.27 H new ATOM 0 HA ILE A 84 63.735 31.254-125.031 1.00 0.30 H new ATOM 0 HB ILE A 84 61.886 33.359-126.171 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.918 33.306-126.111 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.063 32.307-127.270 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.117 35.013-124.802 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.229 33.869-123.768 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.986 33.693-123.984 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.583 34.526-128.240 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.823 34.303-128.095 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.691 35.317-126.918 1.00 0.37 H new ATOM 1156 N LEU A 85 60.622 31.850-124.052 1.00 0.35 N ATOM 1157 CA LEU A 85 59.732 31.803-122.856 1.00 0.42 C ATOM 1158 C LEU A 85 59.698 30.379-122.298 1.00 0.42 C ATOM 1159 O LEU A 85 60.047 30.138-121.160 1.00 0.47 O ATOM 1160 CB LEU A 85 58.325 32.236-123.276 1.00 0.54 C ATOM 1161 CG LEU A 85 58.217 33.757-123.183 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.111 34.168-121.716 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.463 34.396-123.800 1.00 0.61 C ATOM 0 H LEU A 85 60.165 32.131-124.919 1.00 0.35 H new ATOM 0 HA LEU A 85 60.107 32.473-122.082 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.119 31.907-124.295 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.580 31.767-122.633 1.00 0.54 H new ATOM 0 HG LEU A 85 57.331 34.093-123.722 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.034 35.253-121.647 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.225 33.712-121.274 1.00 0.69 H new ATOM 0 HD13 LEU A 85 58.998 33.832-121.179 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.386 35.481-123.734 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.349 34.061-123.260 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.543 34.101-124.846 1.00 0.61 H new ATOM 1175 N ALA A 86 59.294 29.435-123.097 1.00 0.47 N ATOM 1176 CA ALA A 86 59.248 28.022-122.629 1.00 0.58 C ATOM 1177 C ALA A 86 60.609 27.639-122.048 1.00 0.59 C ATOM 1178 O ALA A 86 60.748 26.657-121.346 1.00 0.73 O ATOM 1179 CB ALA A 86 58.933 27.115-123.820 1.00 0.64 C ATOM 0 H ALA A 86 58.992 29.581-124.060 1.00 0.47 H new ATOM 0 HA ALA A 86 58.480 27.909-121.864 1.00 0.58 H new ATOM 0 HB1 ALA A 86 58.897 26.077-123.488 1.00 0.64 H new ATOM 0 HB2 ALA A 86 57.969 27.394-124.245 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.709 27.227-124.578 1.00 0.64 H new ATOM 1185 N LYS A 87 61.619 28.402-122.357 1.00 0.50 N ATOM 1186 CA LYS A 87 62.985 28.093-121.856 1.00 0.60 C ATOM 1187 C LYS A 87 63.158 28.644-120.449 1.00 0.58 C ATOM 1188 O LYS A 87 63.635 27.967-119.560 1.00 0.71 O ATOM 1189 CB LYS A 87 64.007 28.749-122.775 1.00 0.61 C ATOM 1190 CG LYS A 87 65.336 27.996-122.688 1.00 0.82 C ATOM 1191 CD LYS A 87 66.440 28.830-123.342 1.00 0.99 C ATOM 1192 CE LYS A 87 67.802 28.199-123.041 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.666 26.716-123.011 1.00 2.02 N ATOM 0 H LYS A 87 61.555 29.235-122.942 1.00 0.50 H new ATOM 0 HA LYS A 87 63.129 27.013-121.840 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.642 28.745-123.802 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.149 29.792-122.491 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.585 27.797-121.646 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.252 27.030-123.186 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.281 28.882-124.419 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.410 29.852-122.965 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.527 28.493-123.800 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.178 28.560-122.084 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.608 26.280-123.079 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.214 26.427-122.120 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 67.082 26.405-123.813 1.00 2.02 H new ATOM 1207 N TYR A 88 62.774 29.868-120.235 1.00 0.45 N ATOM 1208 CA TYR A 88 62.917 30.459-118.879 1.00 0.47 C ATOM 1209 C TYR A 88 61.787 29.939-117.995 1.00 0.54 C ATOM 1210 O TYR A 88 61.830 30.031-116.784 1.00 0.58 O ATOM 1211 CB TYR A 88 62.826 31.983-118.991 1.00 0.44 C ATOM 1212 CG TYR A 88 64.199 32.534-119.289 1.00 0.45 C ATOM 1213 CD1 TYR A 88 64.666 32.564-120.609 1.00 0.53 C ATOM 1214 CD2 TYR A 88 65.009 33.007-118.249 1.00 0.58 C ATOM 1215 CE1 TYR A 88 65.941 33.066-120.890 1.00 0.62 C ATOM 1216 CE2 TYR A 88 66.286 33.510-118.531 1.00 0.64 C ATOM 1217 CZ TYR A 88 66.752 33.538-119.852 1.00 0.61 C ATOM 1218 OH TYR A 88 68.008 34.034-120.130 1.00 0.73 O ATOM 0 H TYR A 88 62.368 30.484-120.939 1.00 0.45 H new ATOM 0 HA TYR A 88 63.877 30.183-118.443 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.128 32.262-119.781 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.443 32.407-118.063 1.00 0.44 H new ATOM 0 HD1 TYR A 88 64.041 32.199-121.411 1.00 0.53 H new ATOM 0 HD2 TYR A 88 64.650 32.984-117.231 1.00 0.58 H new ATOM 0 HE1 TYR A 88 66.300 33.089-121.908 1.00 0.62 H new ATOM 0 HE2 TYR A 88 66.911 33.876-117.730 1.00 0.64 H new ATOM 0 HH TYR A 88 68.186 33.955-121.090 1.00 0.73 H new ATOM 1228 N GLY A 89 60.759 29.429-118.607 1.00 0.59 N ATOM 1229 CA GLY A 89 59.597 28.939-117.811 1.00 0.69 C ATOM 1230 C GLY A 89 58.835 30.172-117.335 1.00 0.77 C ATOM 1231 O GLY A 89 58.421 30.281-116.197 1.00 1.09 O ATOM 0 H GLY A 89 60.670 29.329-119.618 1.00 0.59 H new ATOM 0 HA2 GLY A 89 58.956 28.299-118.417 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.934 28.342-116.963 1.00 0.69 H new ATOM 1235 N LEU A 90 58.671 31.103-118.225 1.00 0.65 N ATOM 1236 CA LEU A 90 57.962 32.359-117.895 1.00 0.75 C ATOM 1237 C LEU A 90 56.839 32.567-118.919 1.00 0.80 C ATOM 1238 O LEU A 90 56.494 33.671-119.285 1.00 1.31 O ATOM 1239 CB LEU A 90 58.992 33.501-117.913 1.00 0.82 C ATOM 1240 CG LEU A 90 58.373 34.810-118.391 1.00 1.03 C ATOM 1241 CD1 LEU A 90 57.119 35.133-117.571 1.00 1.50 C ATOM 1242 CD2 LEU A 90 59.395 35.933-118.214 1.00 1.68 C ATOM 0 H LEU A 90 59.006 31.043-119.187 1.00 0.65 H new ATOM 0 HA LEU A 90 57.505 32.327-116.906 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.403 33.637-116.913 1.00 0.82 H new ATOM 0 HB3 LEU A 90 59.823 33.232-118.565 1.00 0.82 H new ATOM 0 HG LEU A 90 58.094 34.715-119.440 1.00 1.03 H new ATOM 0 HD11 LEU A 90 56.686 36.070-117.922 1.00 1.50 H new ATOM 0 HD12 LEU A 90 56.391 34.330-117.688 1.00 1.50 H new ATOM 0 HD13 LEU A 90 57.387 35.229-116.519 1.00 1.50 H new ATOM 0 HD21 LEU A 90 58.963 36.875-118.553 1.00 1.68 H new ATOM 0 HD22 LEU A 90 59.666 36.016-117.161 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.286 35.710-118.801 1.00 1.68 H new ATOM 1254 N ASP A 91 56.261 31.490-119.378 1.00 0.77 N ATOM 1255 CA ASP A 91 55.160 31.594-120.375 1.00 0.87 C ATOM 1256 C ASP A 91 53.840 31.856-119.644 1.00 1.30 C ATOM 1257 O ASP A 91 52.813 32.069-120.259 1.00 1.70 O ATOM 1258 CB ASP A 91 55.041 30.273-121.139 1.00 1.04 C ATOM 1259 CG ASP A 91 56.429 29.794-121.564 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.393 30.457-121.223 1.00 0.84 O ATOM 1261 OD2 ASP A 91 56.505 28.755-122.199 1.00 1.42 O ATOM 0 H ASP A 91 56.506 30.539-119.103 1.00 0.77 H new ATOM 0 HA ASP A 91 55.374 32.408-121.067 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.563 29.521-120.511 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.408 30.405-122.016 1.00 1.04 H new ATOM 1266 N GLY A 92 53.861 31.835-118.338 1.00 1.77 N ATOM 1267 CA GLY A 92 52.604 32.071-117.567 1.00 2.22 C ATOM 1268 C GLY A 92 51.420 31.555-118.387 1.00 2.72 C ATOM 1269 O GLY A 92 51.565 30.662-119.198 1.00 3.30 O ATOM 0 H GLY A 92 54.692 31.665-117.772 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.649 31.559-116.606 1.00 2.22 H new ATOM 0 HA3 GLY A 92 52.484 33.134-117.357 1.00 2.22 H new ATOM 1273 N LYS A 93 50.252 32.107-118.202 1.00 3.13 N ATOM 1274 CA LYS A 93 49.083 31.636-118.997 1.00 3.96 C ATOM 1275 C LYS A 93 49.164 32.248-120.397 1.00 4.22 C ATOM 1276 O LYS A 93 48.630 33.309-120.652 1.00 4.63 O ATOM 1277 CB LYS A 93 47.785 32.081-118.317 1.00 4.60 C ATOM 1278 CG LYS A 93 47.875 31.805-116.814 1.00 4.79 C ATOM 1279 CD LYS A 93 46.496 31.989-116.178 1.00 5.91 C ATOM 1280 CE LYS A 93 46.152 33.480-116.123 1.00 6.60 C ATOM 1281 NZ LYS A 93 45.257 33.740-114.961 1.00 6.86 N ATOM 0 H LYS A 93 50.057 32.858-117.540 1.00 3.13 H new ATOM 0 HA LYS A 93 49.094 30.548-119.065 1.00 3.96 H new ATOM 0 HB2 LYS A 93 47.616 33.143-118.493 1.00 4.60 H new ATOM 0 HB3 LYS A 93 46.936 31.548-118.745 1.00 4.60 H new ATOM 0 HG2 LYS A 93 48.235 30.791-116.641 1.00 4.79 H new ATOM 0 HG3 LYS A 93 48.594 32.482-116.352 1.00 4.79 H new ATOM 0 HD2 LYS A 93 45.743 31.453-116.756 1.00 5.91 H new ATOM 0 HD3 LYS A 93 46.488 31.566-115.173 1.00 5.91 H new ATOM 0 HE2 LYS A 93 47.063 34.071-116.033 1.00 6.60 H new ATOM 0 HE3 LYS A 93 45.663 33.786-117.048 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 45.023 34.753-114.923 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 44.383 33.186-115.065 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 45.740 33.463-114.082 1.00 6.86 H new ATOM 1295 N LYS A 94 49.844 31.597-121.301 1.00 4.52 N ATOM 1296 CA LYS A 94 49.976 32.151-122.677 1.00 5.25 C ATOM 1297 C LYS A 94 48.777 31.739-123.533 1.00 5.64 C ATOM 1298 O LYS A 94 48.867 30.849-124.356 1.00 6.30 O ATOM 1299 CB LYS A 94 51.261 31.618-123.315 1.00 6.00 C ATOM 1300 CG LYS A 94 51.639 30.286-122.664 1.00 6.18 C ATOM 1301 CD LYS A 94 52.455 29.449-123.652 1.00 7.02 C ATOM 1302 CE LYS A 94 52.821 28.112-123.007 1.00 7.55 C ATOM 1303 NZ LYS A 94 53.991 27.522-123.718 1.00 7.75 N ATOM 0 H LYS A 94 50.314 30.705-121.145 1.00 4.52 H new ATOM 0 HA LYS A 94 50.012 33.239-122.619 1.00 5.25 H new ATOM 0 HB2 LYS A 94 51.119 31.484-124.387 1.00 6.00 H new ATOM 0 HB3 LYS A 94 52.069 32.339-123.189 1.00 6.00 H new ATOM 0 HG2 LYS A 94 52.217 30.463-121.757 1.00 6.18 H new ATOM 0 HG3 LYS A 94 50.740 29.745-122.369 1.00 6.18 H new ATOM 0 HD2 LYS A 94 51.881 29.280-124.563 1.00 7.02 H new ATOM 0 HD3 LYS A 94 53.359 29.986-123.940 1.00 7.02 H new ATOM 0 HE2 LYS A 94 53.058 28.257-121.953 1.00 7.55 H new ATOM 0 HE3 LYS A 94 51.972 27.430-123.052 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 53.968 26.486-123.625 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 53.952 27.780-124.725 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 54.871 27.887-123.301 1.00 7.75 H new ATOM 1317 N ASP A 95 47.659 32.389-123.363 1.00 5.55 N ATOM 1318 CA ASP A 95 46.466 32.041-124.185 1.00 6.18 C ATOM 1319 C ASP A 95 46.696 32.542-125.612 1.00 6.72 C ATOM 1320 O ASP A 95 47.726 33.111-125.915 1.00 7.02 O ATOM 1321 CB ASP A 95 45.223 32.712-123.598 1.00 6.12 C ATOM 1322 CG ASP A 95 45.392 34.231-123.646 1.00 6.05 C ATOM 1323 OD1 ASP A 95 45.948 34.775-122.706 1.00 6.23 O ATOM 1324 OD2 ASP A 95 44.961 34.825-124.621 1.00 6.22 O ATOM 0 H ASP A 95 47.520 33.144-122.692 1.00 5.55 H new ATOM 0 HA ASP A 95 46.316 30.961-124.188 1.00 6.18 H new ATOM 0 HB2 ASP A 95 44.337 32.416-124.160 1.00 6.12 H new ATOM 0 HB3 ASP A 95 45.072 32.385-122.569 1.00 6.12 H new ATOM 1329 N ALA A 96 45.756 32.342-126.496 1.00 7.12 N ATOM 1330 CA ALA A 96 45.949 32.817-127.895 1.00 7.86 C ATOM 1331 C ALA A 96 45.271 34.177-128.070 1.00 8.30 C ATOM 1332 O ALA A 96 44.199 34.280-128.632 1.00 8.93 O ATOM 1333 CB ALA A 96 45.328 31.810-128.865 1.00 8.22 C ATOM 0 H ALA A 96 44.869 31.874-126.311 1.00 7.12 H new ATOM 0 HA ALA A 96 47.015 32.913-128.102 1.00 7.86 H new ATOM 0 HB1 ALA A 96 45.469 32.157-129.889 1.00 8.22 H new ATOM 0 HB2 ALA A 96 45.810 30.840-128.741 1.00 8.22 H new ATOM 0 HB3 ALA A 96 44.262 31.715-128.657 1.00 8.22 H new ATOM 1339 N ARG A 97 45.888 35.224-127.594 1.00 8.23 N ATOM 1340 CA ARG A 97 45.279 36.576-127.735 1.00 8.95 C ATOM 1341 C ARG A 97 43.941 36.613-126.993 1.00 9.53 C ATOM 1342 O ARG A 97 43.290 37.637-126.919 1.00 9.76 O ATOM 1343 CB ARG A 97 45.049 36.880-129.217 1.00 8.85 C ATOM 1344 CG ARG A 97 44.752 38.372-129.392 1.00 8.58 C ATOM 1345 CD ARG A 97 45.940 39.192-128.888 1.00 8.65 C ATOM 1346 NE ARG A 97 45.716 39.566-127.463 1.00 9.34 N ATOM 1347 CZ ARG A 97 46.710 40.004-126.739 1.00 9.46 C ATOM 1348 NH1 ARG A 97 47.899 40.114-127.262 1.00 9.01 N ATOM 1349 NH2 ARG A 97 46.513 40.330-125.490 1.00 10.30 N ATOM 0 H ARG A 97 46.788 35.201-127.114 1.00 8.23 H new ATOM 0 HA ARG A 97 45.950 37.323-127.311 1.00 8.95 H new ATOM 0 HB2 ARG A 97 45.929 36.603-129.797 1.00 8.85 H new ATOM 0 HB3 ARG A 97 44.218 36.286-129.596 1.00 8.85 H new ATOM 0 HG2 ARG A 97 44.562 38.595-130.442 1.00 8.58 H new ATOM 0 HG3 ARG A 97 43.851 38.641-128.841 1.00 8.58 H new ATOM 0 HD2 ARG A 97 46.860 38.616-128.984 1.00 8.65 H new ATOM 0 HD3 ARG A 97 46.061 40.089-129.496 1.00 8.65 H new ATOM 0 HE ARG A 97 44.786 39.480-127.053 1.00 9.34 H new ATOM 0 HH11 ARG A 97 48.053 39.858-128.237 1.00 9.01 H new ATOM 0 HH12 ARG A 97 48.675 40.456-126.696 1.00 9.01 H new ATOM 0 HH21 ARG A 97 45.583 40.242-125.081 1.00 10.30 H new ATOM 0 HH22 ARG A 97 47.289 40.672-124.924 1.00 10.30 H new ATOM 1363 N GLN A 98 43.524 35.505-126.444 1.00 9.97 N ATOM 1364 CA GLN A 98 42.228 35.480-125.709 1.00 10.76 C ATOM 1365 C GLN A 98 42.347 36.322-124.437 1.00 10.99 C ATOM 1366 O GLN A 98 43.418 36.330-123.852 1.00 11.00 O ATOM 1367 CB GLN A 98 41.882 34.037-125.335 1.00 11.07 C ATOM 1368 CG GLN A 98 40.481 33.990-124.723 1.00 11.38 C ATOM 1369 CD GLN A 98 40.233 32.605-124.122 1.00 11.58 C ATOM 1370 OE1 GLN A 98 41.172 31.702-124.185 1.00 11.67 O flip ATOM 1371 NE2 GLN A 98 39.173 32.343-123.589 1.00 11.85 N flip ATOM 0 H GLN A 98 44.024 34.617-126.473 1.00 9.97 H new ATOM 0 HA GLN A 98 41.442 35.889-126.344 1.00 10.76 H new ATOM 0 HB2 GLN A 98 41.926 33.401-126.219 1.00 11.07 H new ATOM 0 HB3 GLN A 98 42.613 33.649-124.626 1.00 11.07 H new ATOM 0 HG2 GLN A 98 40.383 34.755-123.953 1.00 11.38 H new ATOM 0 HG3 GLN A 98 39.732 34.207-125.485 1.00 11.38 H new ATOM 0 HE21 GLN A 98 38.439 33.049-123.540 1.00 11.85 H new ATOM 0 HE22 GLN A 98 39.018 31.417-123.191 1.00 11.85 H new TER 1380 GLN A 98