USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -12.5! C(o=-19!,f=-23!) USER MOD Set 1.2: A 80 ASN : amide:sc= -6.99! C(o=-19!,f=-21!) USER MOD Set 2.1: A 22 MET CE :methyl -157:sc= -0.533 (180deg=-1.35) USER MOD Set 2.2: A 24 LYS NZ :NH3+ 176:sc= -0.443 (180deg=-0.0907) USER MOD Single : A 26 ASN : amide:sc= -8.32! C(o=-8.3!,f=-18!) USER MOD Single : A 27 GLN : amide:sc= -9.37! C(o=-9.4!,f=-7.3!) USER MOD Single : A 31 LYS NZ :NH3+ -129:sc= -0.0321 (180deg=-1.97!) USER MOD Single : A 33 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.7) USER MOD Single : A 36 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.33) USER MOD Single : A 46 HIS : no HD1:sc= -9.61! C(o=-9.6!,f=-5.2!) USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= -0.0766 (180deg=-0.705) USER MOD Single : A 60 LYS NZ :NH3+ -115:sc= -1.76! (180deg=-4.37!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc=-0.00572 (180deg=-0.0528) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= -3.17! (180deg=-3.44!) USER MOD Single : A 88 TYR OH : rot 0:sc= -4.91! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -119:sc= -0.299 (180deg=-1.24) USER MOD Single : A 98 GLN : amide:sc= -3.38! C(o=-3.4!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 62.872 54.491-128.930 1.00 3.57 N ATOM 2 CA GLY A 17 63.851 54.783-127.792 1.00 2.94 C ATOM 3 C GLY A 17 63.815 53.942-126.562 1.00 2.17 C ATOM 4 O GLY A 17 64.820 53.728-125.915 1.00 2.41 O ATOM 0 HA2 GLY A 17 64.859 54.719-128.203 1.00 2.94 H new ATOM 0 HA3 GLY A 17 63.697 55.818-127.485 1.00 2.94 H new ATOM 8 N GLU A 18 62.662 53.442-126.206 1.00 1.64 N ATOM 9 CA GLU A 18 62.561 52.592-124.986 1.00 0.99 C ATOM 10 C GLU A 18 63.324 51.287-125.208 1.00 0.98 C ATOM 11 O GLU A 18 63.612 50.910-126.325 1.00 1.60 O ATOM 12 CB GLU A 18 61.090 52.281-124.703 1.00 1.22 C ATOM 13 CG GLU A 18 60.302 52.301-126.014 1.00 1.64 C ATOM 14 CD GLU A 18 59.752 53.707-126.258 1.00 2.48 C ATOM 15 OE1 GLU A 18 60.066 54.589-125.477 1.00 3.09 O ATOM 16 OE2 GLU A 18 59.025 53.879-127.223 1.00 3.13 O ATOM 0 H GLU A 18 61.786 53.586-126.708 1.00 1.64 H new ATOM 0 HA GLU A 18 62.991 53.123-124.137 1.00 0.99 H new ATOM 0 HB2 GLU A 18 60.999 51.305-124.227 1.00 1.22 H new ATOM 0 HB3 GLU A 18 60.680 53.014-124.009 1.00 1.22 H new ATOM 0 HG2 GLU A 18 60.945 52.002-126.842 1.00 1.64 H new ATOM 0 HG3 GLU A 18 59.484 51.582-125.970 1.00 1.64 H new ATOM 23 N GLU A 19 63.651 50.599-124.145 1.00 0.57 N ATOM 24 CA GLU A 19 64.392 49.312-124.290 1.00 0.55 C ATOM 25 C GLU A 19 64.202 48.798-125.715 1.00 0.56 C ATOM 26 O GLU A 19 65.084 48.890-126.545 1.00 0.63 O ATOM 27 CB GLU A 19 63.841 48.290-123.293 1.00 0.45 C ATOM 28 CG GLU A 19 62.311 48.346-123.295 1.00 0.38 C ATOM 29 CD GLU A 19 61.749 46.994-123.740 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.220 45.985-123.242 1.00 2.06 O ATOM 31 OE2 GLU A 19 60.856 46.991-124.572 1.00 1.96 O ATOM 0 H GLU A 19 63.437 50.872-123.186 1.00 0.57 H new ATOM 0 HA GLU A 19 65.453 49.465-124.090 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.179 47.288-123.559 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.222 48.500-122.293 1.00 0.45 H new ATOM 0 HG2 GLU A 19 61.945 48.593-122.299 1.00 0.38 H new ATOM 0 HG3 GLU A 19 61.967 49.133-123.966 1.00 0.38 H new ATOM 38 N PHE A 20 63.046 48.280-126.005 1.00 0.51 N ATOM 39 CA PHE A 20 62.769 47.779-127.381 1.00 0.54 C ATOM 40 C PHE A 20 61.728 48.691-128.020 1.00 0.55 C ATOM 41 O PHE A 20 61.331 49.682-127.440 1.00 0.57 O ATOM 42 CB PHE A 20 62.219 46.355-127.310 1.00 0.52 C ATOM 43 CG PHE A 20 63.213 45.475-126.601 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.524 45.379-127.076 1.00 0.80 C ATOM 45 CD2 PHE A 20 62.822 44.763-125.467 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.448 44.562-126.411 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.742 43.947-124.800 1.00 0.51 C ATOM 48 CZ PHE A 20 65.057 43.846-125.272 1.00 0.56 C ATOM 0 H PHE A 20 62.274 48.180-125.346 1.00 0.51 H new ATOM 0 HA PHE A 20 63.686 47.776-127.970 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.266 46.347-126.781 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.030 45.975-128.314 1.00 0.52 H new ATOM 0 HD1 PHE A 20 64.824 45.933-127.953 1.00 0.80 H new ATOM 0 HD2 PHE A 20 61.808 44.842-125.104 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.461 44.484-126.776 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.439 43.396-123.922 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.769 43.217-124.758 1.00 0.56 H new ATOM 58 N ARG A 21 61.271 48.380-129.199 1.00 0.57 N ATOM 59 CA ARG A 21 60.251 49.249-129.842 1.00 0.60 C ATOM 60 C ARG A 21 59.014 48.407-130.127 1.00 0.57 C ATOM 61 O ARG A 21 58.083 48.838-130.779 1.00 0.59 O ATOM 62 CB ARG A 21 60.805 49.782-131.159 1.00 0.69 C ATOM 63 CG ARG A 21 62.084 50.579-130.893 1.00 0.74 C ATOM 64 CD ARG A 21 63.214 49.621-130.516 1.00 0.82 C ATOM 65 NE ARG A 21 64.439 49.969-131.289 1.00 1.35 N ATOM 66 CZ ARG A 21 65.598 49.491-130.926 1.00 1.78 C ATOM 67 NH1 ARG A 21 65.682 48.706-129.887 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.671 49.797-131.602 1.00 2.72 N ATOM 0 H ARG A 21 61.558 47.566-129.742 1.00 0.57 H new ATOM 0 HA ARG A 21 59.999 50.083-129.187 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.014 48.956-131.838 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.064 50.416-131.647 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.359 51.152-131.779 1.00 0.74 H new ATOM 0 HG3 ARG A 21 61.918 51.296-130.089 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.416 49.683-129.447 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.919 48.593-130.726 1.00 0.82 H new ATOM 0 HE ARG A 21 64.372 50.581-132.102 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.842 48.467-129.360 1.00 2.06 H new ATOM 0 HH12 ARG A 21 66.587 48.332-129.602 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.604 50.410-132.415 1.00 2.72 H new ATOM 0 HH22 ARG A 21 67.577 49.423-131.318 1.00 2.72 H new ATOM 82 N MET A 22 59.004 47.204-129.635 1.00 0.54 N ATOM 83 CA MET A 22 57.836 46.311-129.859 1.00 0.55 C ATOM 84 C MET A 22 57.070 46.139-128.551 1.00 0.49 C ATOM 85 O MET A 22 57.628 45.789-127.524 1.00 0.63 O ATOM 86 CB MET A 22 58.315 44.946-130.341 1.00 0.61 C ATOM 87 CG MET A 22 58.868 45.070-131.761 1.00 0.71 C ATOM 88 SD MET A 22 57.542 45.575-132.884 1.00 1.14 S ATOM 89 CE MET A 22 57.062 43.917-133.428 1.00 1.25 C ATOM 0 H MET A 22 59.759 46.797-129.083 1.00 0.54 H new ATOM 0 HA MET A 22 57.185 46.755-130.613 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.085 44.562-129.672 1.00 0.61 H new ATOM 0 HB3 MET A 22 57.491 44.232-130.321 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.677 45.800-131.785 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.289 44.117-132.083 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.563 43.982-134.395 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.951 43.293-133.520 1.00 1.25 H new ATOM 0 HE3 MET A 22 56.383 43.477-132.698 1.00 1.25 H new ATOM 99 N GLU A 23 55.792 46.380-128.578 1.00 0.47 N ATOM 100 CA GLU A 23 54.990 46.233-127.340 1.00 0.46 C ATOM 101 C GLU A 23 55.188 44.833-126.763 1.00 0.50 C ATOM 102 O GLU A 23 55.249 44.656-125.564 1.00 0.50 O ATOM 103 CB GLU A 23 53.509 46.454-127.658 1.00 0.50 C ATOM 104 CG GLU A 23 53.309 47.872-128.196 1.00 1.45 C ATOM 105 CD GLU A 23 51.841 48.068-128.584 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.077 47.131-128.424 1.00 2.48 O ATOM 107 OE2 GLU A 23 51.509 49.151-129.035 1.00 2.68 O ATOM 0 H GLU A 23 55.270 46.672-129.404 1.00 0.47 H new ATOM 0 HA GLU A 23 55.316 46.973-126.609 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.171 45.724-128.393 1.00 0.50 H new ATOM 0 HB3 GLU A 23 52.907 46.306-126.761 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.597 48.603-127.441 1.00 1.45 H new ATOM 0 HG3 GLU A 23 53.950 48.038-129.062 1.00 1.45 H new ATOM 114 N LYS A 24 55.279 43.831-127.596 1.00 0.54 N ATOM 115 CA LYS A 24 55.458 42.453-127.067 1.00 0.59 C ATOM 116 C LYS A 24 56.765 42.348-126.286 1.00 0.53 C ATOM 117 O LYS A 24 56.777 41.912-125.150 1.00 0.55 O ATOM 118 CB LYS A 24 55.462 41.448-128.224 1.00 0.67 C ATOM 119 CG LYS A 24 56.689 41.677-129.107 1.00 0.64 C ATOM 120 CD LYS A 24 56.329 41.388-130.566 1.00 0.77 C ATOM 121 CE LYS A 24 57.609 41.264-131.393 1.00 1.46 C ATOM 122 NZ LYS A 24 57.269 40.798-132.768 1.00 2.09 N ATOM 0 H LYS A 24 55.237 43.908-128.612 1.00 0.54 H new ATOM 0 HA LYS A 24 54.630 42.226-126.395 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.469 40.430-127.833 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.552 41.557-128.815 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.038 42.705-129.004 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.506 41.030-128.788 1.00 0.64 H new ATOM 0 HD2 LYS A 24 55.750 40.467-130.633 1.00 0.77 H new ATOM 0 HD3 LYS A 24 55.703 42.188-130.962 1.00 0.77 H new ATOM 0 HE2 LYS A 24 58.119 42.226-131.439 1.00 1.46 H new ATOM 0 HE3 LYS A 24 58.295 40.562-130.919 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 58.130 40.778-133.351 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.862 39.842-132.720 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 56.578 41.448-133.194 1.00 2.09 H new ATOM 136 N LEU A 25 57.874 42.723-126.866 1.00 0.47 N ATOM 137 CA LEU A 25 59.170 42.618-126.142 1.00 0.42 C ATOM 138 C LEU A 25 59.164 43.484-124.890 1.00 0.39 C ATOM 139 O LEU A 25 59.792 43.154-123.904 1.00 0.55 O ATOM 140 CB LEU A 25 60.286 43.116-127.060 1.00 0.43 C ATOM 141 CG LEU A 25 60.773 41.991-127.969 1.00 0.57 C ATOM 142 CD1 LEU A 25 60.716 42.460-129.426 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.216 41.647-127.599 1.00 1.03 C ATOM 0 H LEU A 25 57.936 43.098-127.812 1.00 0.47 H new ATOM 0 HA LEU A 25 59.326 41.578-125.857 1.00 0.42 H new ATOM 0 HB2 LEU A 25 59.924 43.948-127.664 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.116 43.493-126.462 1.00 0.43 H new ATOM 0 HG LEU A 25 60.141 41.111-127.847 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.063 41.660-130.080 1.00 0.92 H new ATOM 0 HD12 LEU A 25 59.690 42.720-129.685 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.355 43.334-129.552 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.575 40.844-128.242 1.00 1.03 H new ATOM 0 HD22 LEU A 25 62.845 42.527-127.732 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.258 41.325-126.559 1.00 1.03 H new ATOM 155 N ASN A 26 58.456 44.573-124.894 1.00 0.39 N ATOM 156 CA ASN A 26 58.430 45.407-123.668 1.00 0.37 C ATOM 157 C ASN A 26 57.622 44.655-122.621 1.00 0.40 C ATOM 158 O ASN A 26 58.085 44.379-121.533 1.00 0.40 O ATOM 159 CB ASN A 26 57.769 46.754-123.961 1.00 0.41 C ATOM 160 CG ASN A 26 58.371 47.354-125.233 1.00 0.55 C ATOM 161 OD1 ASN A 26 58.989 46.657-126.013 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.216 48.627-125.475 1.00 0.45 N ATOM 0 H ASN A 26 57.903 44.918-125.679 1.00 0.39 H new ATOM 0 HA ASN A 26 59.444 45.595-123.314 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.693 46.624-124.081 1.00 0.41 H new ATOM 0 HB3 ASN A 26 57.916 47.433-123.121 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.614 49.038-126.320 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.697 49.211-124.820 1.00 0.45 H new ATOM 169 N GLN A 27 56.407 44.328-122.949 1.00 0.44 N ATOM 170 CA GLN A 27 55.547 43.600-121.990 1.00 0.50 C ATOM 171 C GLN A 27 56.335 42.453-121.369 1.00 0.47 C ATOM 172 O GLN A 27 56.332 42.285-120.166 1.00 0.48 O ATOM 173 CB GLN A 27 54.317 43.050-122.714 1.00 0.59 C ATOM 174 CG GLN A 27 53.447 44.211-123.200 1.00 0.58 C ATOM 175 CD GLN A 27 52.458 43.704-124.250 1.00 1.39 C ATOM 176 OE1 GLN A 27 51.622 44.448-124.724 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.519 42.460-124.639 1.00 2.02 N ATOM 0 H GLN A 27 55.972 44.537-123.848 1.00 0.44 H new ATOM 0 HA GLN A 27 55.223 44.283-121.204 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.625 42.434-123.559 1.00 0.59 H new ATOM 0 HB3 GLN A 27 53.744 42.409-122.044 1.00 0.59 H new ATOM 0 HG2 GLN A 27 52.909 44.652-122.361 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.073 44.996-123.624 1.00 0.58 H new ATOM 0 HE21 GLN A 27 53.220 41.835-124.242 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.865 42.112-125.341 1.00 2.02 H new ATOM 186 N LEU A 28 57.022 41.656-122.153 1.00 0.47 N ATOM 187 CA LEU A 28 57.799 40.531-121.550 1.00 0.47 C ATOM 188 C LEU A 28 59.048 41.090-120.869 1.00 0.39 C ATOM 189 O LEU A 28 59.521 40.569-119.879 1.00 0.50 O ATOM 190 CB LEU A 28 58.218 39.555-122.651 1.00 0.50 C ATOM 191 CG LEU A 28 56.998 39.176-123.492 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.389 39.132-124.970 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.489 37.800-123.059 1.00 1.21 C ATOM 0 H LEU A 28 57.077 41.735-123.168 1.00 0.47 H new ATOM 0 HA LEU A 28 57.182 40.011-120.817 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.981 40.010-123.283 1.00 0.50 H new ATOM 0 HB3 LEU A 28 58.660 38.662-122.210 1.00 0.50 H new ATOM 0 HG LEU A 28 56.213 39.918-123.347 1.00 0.62 H new ATOM 0 HD11 LEU A 28 56.519 38.862-125.569 1.00 1.41 H new ATOM 0 HD12 LEU A 28 57.752 40.112-125.280 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.175 38.391-125.117 1.00 1.41 H new ATOM 0 HD21 LEU A 28 55.619 37.529-123.658 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.275 37.059-123.204 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.209 37.830-122.006 1.00 1.21 H new ATOM 205 N TRP A 29 59.568 42.164-121.389 1.00 0.37 N ATOM 206 CA TRP A 29 60.772 42.776-120.766 1.00 0.30 C ATOM 207 C TRP A 29 60.403 43.170-119.342 1.00 0.36 C ATOM 208 O TRP A 29 60.967 42.686-118.363 1.00 0.39 O ATOM 209 CB TRP A 29 61.194 44.014-121.554 1.00 0.32 C ATOM 210 CG TRP A 29 62.380 44.654-120.909 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.548 45.987-120.783 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.562 44.032-120.311 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.748 46.230-120.143 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.409 45.059-119.832 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.979 42.698-120.135 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.622 44.775-119.202 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.199 42.410-119.502 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.018 43.447-119.036 1.00 0.41 C ATOM 0 H TRP A 29 59.213 42.644-122.216 1.00 0.37 H new ATOM 0 HA TRP A 29 61.603 42.071-120.766 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.434 43.737-122.580 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.368 44.724-121.600 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.856 46.742-121.127 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.102 47.162-119.927 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.356 41.891-120.490 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.250 45.578-118.845 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.508 41.383-119.374 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.955 43.219-118.549 1.00 0.41 H new ATOM 229 N GLU A 30 59.430 44.025-119.215 1.00 0.45 N ATOM 230 CA GLU A 30 58.968 44.442-117.873 1.00 0.56 C ATOM 231 C GLU A 30 58.527 43.198-117.108 1.00 0.50 C ATOM 232 O GLU A 30 58.730 43.082-115.917 1.00 0.52 O ATOM 233 CB GLU A 30 57.777 45.392-118.038 1.00 0.68 C ATOM 234 CG GLU A 30 58.285 46.825-118.196 1.00 0.86 C ATOM 235 CD GLU A 30 57.113 47.750-118.531 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.998 47.258-118.601 1.00 2.06 O ATOM 237 OE2 GLU A 30 57.349 48.933-118.709 1.00 2.33 O ATOM 0 H GLU A 30 58.932 44.455-119.995 1.00 0.45 H new ATOM 0 HA GLU A 30 59.766 44.947-117.329 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.188 45.106-118.909 1.00 0.68 H new ATOM 0 HB3 GLU A 30 57.119 45.322-117.172 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.770 47.153-117.277 1.00 0.86 H new ATOM 0 HG3 GLU A 30 59.035 46.871-118.986 1.00 0.86 H new ATOM 244 N LYS A 31 57.933 42.257-117.793 1.00 0.46 N ATOM 245 CA LYS A 31 57.492 41.012-117.113 1.00 0.45 C ATOM 246 C LYS A 31 58.702 40.381-116.431 1.00 0.43 C ATOM 247 O LYS A 31 58.666 40.051-115.259 1.00 0.46 O ATOM 248 CB LYS A 31 56.913 40.039-118.141 1.00 0.44 C ATOM 249 CG LYS A 31 55.836 39.174-117.483 1.00 0.91 C ATOM 250 CD LYS A 31 55.215 38.248-118.532 1.00 0.99 C ATOM 251 CE LYS A 31 54.561 39.084-119.636 1.00 1.36 C ATOM 252 NZ LYS A 31 53.263 38.462-120.025 1.00 2.08 N ATOM 0 H LYS A 31 57.736 42.300-118.793 1.00 0.46 H new ATOM 0 HA LYS A 31 56.723 41.241-116.375 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.488 40.591-118.979 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.704 39.407-118.544 1.00 0.44 H new ATOM 0 HG2 LYS A 31 56.270 38.586-116.675 1.00 0.91 H new ATOM 0 HG3 LYS A 31 55.067 39.806-117.040 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.981 37.600-118.958 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.473 37.600-118.065 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.398 40.104-119.287 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.221 39.145-120.501 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.229 38.348-121.058 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.174 37.531-119.571 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.479 39.073-119.718 1.00 2.08 H new ATOM 266 N ALA A 32 59.788 40.221-117.143 1.00 0.41 N ATOM 267 CA ALA A 32 60.981 39.625-116.498 1.00 0.41 C ATOM 268 C ALA A 32 61.345 40.486-115.298 1.00 0.41 C ATOM 269 O ALA A 32 61.303 40.031-114.168 1.00 0.42 O ATOM 270 CB ALA A 32 62.158 39.587-117.474 1.00 0.42 C ATOM 0 H ALA A 32 59.894 40.474-118.125 1.00 0.41 H new ATOM 0 HA ALA A 32 60.761 38.603-116.190 1.00 0.41 H new ATOM 0 HB1 ALA A 32 63.025 39.146-116.982 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.890 38.987-118.344 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.399 40.601-117.793 1.00 0.42 H new ATOM 276 N GLN A 33 61.698 41.733-115.499 1.00 0.43 N ATOM 277 CA GLN A 33 62.042 42.566-114.319 1.00 0.47 C ATOM 278 C GLN A 33 60.994 42.330-113.239 1.00 0.49 C ATOM 279 O GLN A 33 61.291 42.299-112.061 1.00 0.53 O ATOM 280 CB GLN A 33 62.051 44.044-114.718 1.00 0.51 C ATOM 281 CG GLN A 33 63.089 44.271-115.819 1.00 0.53 C ATOM 282 CD GLN A 33 62.749 45.551-116.586 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.300 45.496-117.714 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.947 46.709-116.019 1.00 1.23 N ATOM 0 H GLN A 33 61.760 42.195-116.406 1.00 0.43 H new ATOM 0 HA GLN A 33 63.030 42.296-113.945 1.00 0.47 H new ATOM 0 HB2 GLN A 33 61.063 44.343-115.068 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.283 44.664-113.852 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.085 44.349-115.384 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.105 43.420-116.500 1.00 0.53 H new ATOM 0 HE21 GLN A 33 63.324 46.756-115.072 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.725 47.568-116.522 1.00 1.23 H new ATOM 293 N ARG A 34 59.765 42.149-113.636 1.00 0.49 N ATOM 294 CA ARG A 34 58.693 41.897-112.640 1.00 0.52 C ATOM 295 C ARG A 34 59.013 40.611-111.896 1.00 0.52 C ATOM 296 O ARG A 34 58.810 40.504-110.703 1.00 0.55 O ATOM 297 CB ARG A 34 57.353 41.757-113.352 1.00 0.56 C ATOM 298 CG ARG A 34 56.288 42.563-112.602 1.00 0.67 C ATOM 299 CD ARG A 34 54.905 42.255-113.177 1.00 1.59 C ATOM 300 NE ARG A 34 54.957 42.268-114.673 1.00 1.96 N ATOM 301 CZ ARG A 34 55.543 43.243-115.320 1.00 2.81 C ATOM 302 NH1 ARG A 34 55.999 44.281-114.677 1.00 3.42 N ATOM 303 NH2 ARG A 34 55.641 43.190-116.620 1.00 3.58 N ATOM 0 H ARG A 34 59.459 42.165-114.609 1.00 0.49 H new ATOM 0 HA ARG A 34 58.635 42.729-111.938 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.436 42.112-114.379 1.00 0.56 H new ATOM 0 HB3 ARG A 34 57.063 40.707-113.400 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.313 42.317-111.540 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.498 43.629-112.688 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.565 41.281-112.825 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.183 42.991-112.824 1.00 1.59 H new ATOM 0 HE ARG A 34 54.529 41.505-115.197 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.900 44.337-113.663 1.00 3.42 H new ATOM 0 HH12 ARG A 34 56.455 45.037-115.187 1.00 3.42 H new ATOM 0 HH21 ARG A 34 55.262 42.391-117.128 1.00 3.58 H new ATOM 0 HH22 ARG A 34 56.097 43.948-117.128 1.00 3.58 H new ATOM 317 N LEU A 35 59.556 39.646-112.580 1.00 0.50 N ATOM 318 CA LEU A 35 59.936 38.392-111.889 1.00 0.54 C ATOM 319 C LEU A 35 61.197 38.701-111.098 1.00 0.55 C ATOM 320 O LEU A 35 61.622 37.956-110.238 1.00 0.61 O ATOM 321 CB LEU A 35 60.216 37.292-112.914 1.00 0.57 C ATOM 322 CG LEU A 35 58.907 36.589-113.270 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.052 37.512-114.138 1.00 1.20 C ATOM 324 CD2 LEU A 35 59.213 35.302-114.039 1.00 0.84 C ATOM 0 H LEU A 35 59.751 39.673-113.581 1.00 0.50 H new ATOM 0 HA LEU A 35 59.136 38.042-111.237 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.668 37.719-113.809 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.929 36.574-112.509 1.00 0.57 H new ATOM 0 HG LEU A 35 58.364 36.346-112.356 1.00 0.68 H new ATOM 0 HD11 LEU A 35 57.118 37.011-114.392 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.834 38.429-113.590 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.593 37.756-115.052 1.00 1.20 H new ATOM 0 HD21 LEU A 35 58.280 34.800-114.293 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.756 35.544-114.953 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.822 34.644-113.419 1.00 0.84 H new ATOM 336 N HIS A 36 61.784 39.827-111.397 1.00 0.53 N ATOM 337 CA HIS A 36 63.022 40.258-110.685 1.00 0.58 C ATOM 338 C HIS A 36 64.153 39.253-110.914 1.00 0.49 C ATOM 339 O HIS A 36 64.649 38.635-109.992 1.00 1.37 O ATOM 340 CB HIS A 36 62.738 40.377-109.186 1.00 0.98 C ATOM 341 CG HIS A 36 62.205 41.751-108.883 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.867 42.631-108.042 1.00 1.89 N ATOM 343 CD2 HIS A 36 61.075 42.408-109.299 1.00 1.60 C ATOM 344 CE1 HIS A 36 62.136 43.759-107.979 1.00 2.32 C ATOM 345 NE2 HIS A 36 61.033 43.677-108.727 1.00 2.17 N ATOM 0 H HIS A 36 61.455 40.475-112.113 1.00 0.53 H new ATOM 0 HA HIS A 36 63.330 41.227-111.079 1.00 0.58 H new ATOM 0 HB2 HIS A 36 62.016 39.620-108.881 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.650 40.196-108.617 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.331 42.003-109.969 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.408 44.625-107.394 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.315 44.390-108.852 1.00 2.17 H new ATOM 353 N LEU A 37 64.552 39.084-112.139 1.00 0.59 N ATOM 354 CA LEU A 37 65.641 38.111-112.424 1.00 0.43 C ATOM 355 C LEU A 37 66.977 38.836-112.249 1.00 0.44 C ATOM 356 O LEU A 37 67.190 39.889-112.818 1.00 0.42 O ATOM 357 CB LEU A 37 65.551 37.598-113.863 1.00 0.53 C ATOM 358 CG LEU A 37 64.112 37.213-114.204 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.247 38.472-114.259 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.089 36.527-115.572 1.00 0.82 C ATOM 0 H LEU A 37 64.176 39.573-112.952 1.00 0.59 H new ATOM 0 HA LEU A 37 65.553 37.263-111.745 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.901 38.367-114.552 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.204 36.735-113.989 1.00 0.53 H new ATOM 0 HG LEU A 37 63.723 36.537-113.443 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.220 38.198-114.502 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.269 38.971-113.290 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.633 39.146-115.024 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.065 36.249-115.823 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.475 37.211-116.328 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.711 35.632-115.541 1.00 0.82 H new ATOM 372 N PRO A 38 67.871 38.294-111.458 1.00 0.57 N ATOM 373 CA PRO A 38 69.185 38.945-111.225 1.00 0.66 C ATOM 374 C PRO A 38 69.798 39.429-112.529 1.00 0.58 C ATOM 375 O PRO A 38 69.468 38.939-113.581 1.00 0.52 O ATOM 376 CB PRO A 38 70.005 37.809-110.616 1.00 0.81 C ATOM 377 CG PRO A 38 69.040 36.696-110.180 1.00 0.82 C ATOM 378 CD PRO A 38 67.650 37.001-110.758 1.00 0.69 C ATOM 0 HA PRO A 38 69.128 39.831-110.593 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.722 37.427-111.343 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.578 38.170-109.762 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.394 35.728-110.535 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.994 36.639-109.092 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.315 36.221-111.442 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.895 37.086-109.976 1.00 0.69 H new ATOM 386 N PRO A 39 70.681 40.380-112.468 1.00 0.62 N ATOM 387 CA PRO A 39 71.319 40.900-113.698 1.00 0.60 C ATOM 388 C PRO A 39 71.852 39.765-114.573 1.00 0.53 C ATOM 389 O PRO A 39 71.645 39.731-115.759 1.00 0.51 O ATOM 390 CB PRO A 39 72.458 41.755-113.140 1.00 0.74 C ATOM 391 CG PRO A 39 72.288 41.869-111.618 1.00 0.81 C ATOM 392 CD PRO A 39 71.106 40.991-111.187 1.00 0.74 C ATOM 0 HA PRO A 39 70.635 41.452-114.342 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.421 41.305-113.380 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.446 42.745-113.597 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.199 41.551-111.111 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.111 42.906-111.334 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.404 40.238-110.457 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.308 41.578-110.732 1.00 0.74 H new ATOM 400 N VAL A 40 72.574 38.864-113.986 1.00 0.52 N ATOM 401 CA VAL A 40 73.175 37.739-114.753 1.00 0.47 C ATOM 402 C VAL A 40 72.102 37.007-115.556 1.00 0.41 C ATOM 403 O VAL A 40 72.183 36.878-116.771 1.00 0.37 O ATOM 404 CB VAL A 40 73.839 36.767-113.772 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.800 35.785-113.223 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.945 35.991-114.490 1.00 0.50 C ATOM 0 H VAL A 40 72.780 38.856-112.987 1.00 0.52 H new ATOM 0 HA VAL A 40 73.917 38.133-115.447 1.00 0.47 H new ATOM 0 HB VAL A 40 74.267 37.333-112.945 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.281 35.098-112.527 1.00 0.50 H new ATOM 0 HG12 VAL A 40 72.016 36.337-112.705 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.363 35.220-114.046 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.417 35.300-113.792 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.516 35.431-115.321 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.691 36.689-114.870 1.00 0.50 H new ATOM 416 N ARG A 41 71.083 36.543-114.903 1.00 0.42 N ATOM 417 CA ARG A 41 70.007 35.830-115.636 1.00 0.40 C ATOM 418 C ARG A 41 69.188 36.852-116.404 1.00 0.34 C ATOM 419 O ARG A 41 68.527 36.535-117.376 1.00 0.30 O ATOM 420 CB ARG A 41 69.108 35.093-114.641 1.00 0.46 C ATOM 421 CG ARG A 41 68.002 34.357-115.401 1.00 0.87 C ATOM 422 CD ARG A 41 67.204 33.487-114.427 1.00 1.00 C ATOM 423 NE ARG A 41 66.591 34.350-113.379 1.00 1.53 N ATOM 424 CZ ARG A 41 65.635 33.881-112.626 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.214 32.657-112.792 1.00 2.54 N ATOM 426 NH2 ARG A 41 65.098 34.637-111.706 1.00 3.12 N ATOM 0 H ARG A 41 70.946 36.625-113.896 1.00 0.42 H new ATOM 0 HA ARG A 41 70.441 35.105-116.325 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.697 34.385-114.058 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.671 35.800-113.936 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.342 35.074-115.889 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.436 33.738-116.186 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.428 32.940-114.963 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.857 32.745-113.967 1.00 1.00 H new ATOM 0 HE ARG A 41 66.919 35.307-113.250 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.633 32.067-113.511 1.00 2.54 H new ATOM 0 HH12 ARG A 41 64.466 32.291-112.203 1.00 2.54 H new ATOM 0 HH21 ARG A 41 65.426 35.594-111.577 1.00 3.12 H new ATOM 0 HH22 ARG A 41 64.350 34.270-111.117 1.00 3.12 H new ATOM 440 N LEU A 42 69.236 38.087-115.989 1.00 0.35 N ATOM 441 CA LEU A 42 68.464 39.117-116.720 1.00 0.30 C ATOM 442 C LEU A 42 69.261 39.509-117.951 1.00 0.31 C ATOM 443 O LEU A 42 68.718 39.971-118.924 1.00 0.49 O ATOM 444 CB LEU A 42 68.199 40.339-115.843 1.00 0.32 C ATOM 445 CG LEU A 42 66.958 41.066-116.376 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.693 40.373-115.878 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.955 42.511-115.875 1.00 0.60 C ATOM 0 H LEU A 42 69.770 38.420-115.186 1.00 0.35 H new ATOM 0 HA LEU A 42 67.493 38.714-117.006 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.043 40.035-114.808 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.061 41.006-115.853 1.00 0.32 H new ATOM 0 HG LEU A 42 66.982 41.048-117.466 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.817 40.896-116.261 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.682 39.341-116.228 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.676 40.387-114.788 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.073 43.026-116.255 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.938 42.518-114.785 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.852 43.020-116.228 1.00 0.60 H new ATOM 459 N ALA A 43 70.544 39.276-117.941 1.00 0.30 N ATOM 460 CA ALA A 43 71.357 39.577-119.137 1.00 0.30 C ATOM 461 C ALA A 43 71.108 38.414-120.077 1.00 0.29 C ATOM 462 O ALA A 43 71.104 38.542-121.278 1.00 0.28 O ATOM 463 CB ALA A 43 72.839 39.647-118.764 1.00 0.36 C ATOM 0 H ALA A 43 71.060 38.889-117.151 1.00 0.30 H new ATOM 0 HA ALA A 43 71.094 40.535-119.586 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.428 39.869-119.654 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.991 40.432-118.023 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.155 38.690-118.349 1.00 0.36 H new ATOM 469 N GLU A 44 70.871 37.270-119.504 1.00 0.30 N ATOM 470 CA GLU A 44 70.575 36.097-120.359 1.00 0.32 C ATOM 471 C GLU A 44 69.261 36.400-121.089 1.00 0.30 C ATOM 472 O GLU A 44 69.223 36.510-122.299 1.00 0.34 O ATOM 473 CB GLU A 44 70.422 34.841-119.498 1.00 0.37 C ATOM 474 CG GLU A 44 71.762 34.504-118.842 1.00 1.15 C ATOM 475 CD GLU A 44 71.546 33.457-117.749 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.651 32.643-117.904 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.279 33.486-116.774 1.00 2.80 O ATOM 0 H GLU A 44 70.870 37.100-118.498 1.00 0.30 H new ATOM 0 HA GLU A 44 71.383 35.917-121.068 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.661 35.002-118.734 1.00 0.37 H new ATOM 0 HB3 GLU A 44 70.085 34.005-120.112 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.460 34.126-119.589 1.00 1.15 H new ATOM 0 HG3 GLU A 44 72.207 35.403-118.416 1.00 1.15 H new ATOM 484 N LEU A 45 68.180 36.525-120.364 1.00 0.28 N ATOM 485 CA LEU A 45 66.857 36.808-121.010 1.00 0.29 C ATOM 486 C LEU A 45 66.840 38.209-121.643 1.00 0.24 C ATOM 487 O LEU A 45 66.226 38.424-122.668 1.00 0.25 O ATOM 488 CB LEU A 45 65.751 36.723-119.956 1.00 0.34 C ATOM 489 CG LEU A 45 64.392 36.904-120.630 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.721 35.541-120.809 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.506 37.794-119.758 1.00 0.77 C ATOM 0 H LEU A 45 68.153 36.443-119.348 1.00 0.28 H new ATOM 0 HA LEU A 45 66.692 36.069-121.794 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.792 35.760-119.447 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.898 37.491-119.196 1.00 0.34 H new ATOM 0 HG LEU A 45 64.532 37.370-121.605 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.752 35.673-121.290 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.351 34.904-121.430 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.582 35.073-119.834 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.536 37.924-120.238 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.369 37.327-118.783 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.981 38.767-119.631 1.00 0.77 H new ATOM 503 N HIS A 46 67.529 39.154-121.063 1.00 0.21 N ATOM 504 CA HIS A 46 67.559 40.518-121.673 1.00 0.20 C ATOM 505 C HIS A 46 68.387 40.436-122.955 1.00 0.19 C ATOM 506 O HIS A 46 67.975 40.873-124.010 1.00 0.21 O ATOM 507 CB HIS A 46 68.196 41.522-120.709 1.00 0.23 C ATOM 508 CG HIS A 46 68.162 42.898-121.317 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.317 43.573-121.678 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.123 43.741-121.626 1.00 0.27 C ATOM 511 CE1 HIS A 46 68.951 44.767-122.178 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.624 44.921-122.170 1.00 0.31 N ATOM 0 H HIS A 46 68.067 39.045-120.203 1.00 0.21 H new ATOM 0 HA HIS A 46 66.545 40.854-121.888 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.660 41.520-119.760 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.225 41.233-120.495 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.077 43.522-121.471 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.645 45.510-122.541 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.092 45.729-122.493 1.00 0.31 H new ATOM 520 N ALA A 47 69.551 39.857-122.860 1.00 0.19 N ATOM 521 CA ALA A 47 70.426 39.706-124.055 1.00 0.22 C ATOM 522 C ALA A 47 69.665 38.937-125.128 1.00 0.21 C ATOM 523 O ALA A 47 69.453 39.418-126.221 1.00 0.22 O ATOM 524 CB ALA A 47 71.684 38.923-123.668 1.00 0.27 C ATOM 0 H ALA A 47 69.937 39.478-121.995 1.00 0.19 H new ATOM 0 HA ALA A 47 70.711 40.688-124.432 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.326 38.811-124.542 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.222 39.462-122.888 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.400 37.938-123.298 1.00 0.27 H new ATOM 530 N ASP A 48 69.235 37.748-124.819 1.00 0.22 N ATOM 531 CA ASP A 48 68.469 36.960-125.820 1.00 0.25 C ATOM 532 C ASP A 48 67.314 37.825-126.317 1.00 0.22 C ATOM 533 O ASP A 48 67.142 38.035-127.501 1.00 0.25 O ATOM 534 CB ASP A 48 67.920 35.690-125.167 1.00 0.28 C ATOM 535 CG ASP A 48 69.081 34.835-124.658 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.199 35.073-125.084 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.832 33.955-123.850 1.00 0.94 O ATOM 0 H ASP A 48 69.380 37.289-123.920 1.00 0.22 H new ATOM 0 HA ASP A 48 69.113 36.674-126.651 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.257 35.950-124.342 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.327 35.126-125.887 1.00 0.28 H new ATOM 542 N LEU A 49 66.530 38.342-125.412 1.00 0.19 N ATOM 543 CA LEU A 49 65.398 39.208-125.829 1.00 0.19 C ATOM 544 C LEU A 49 65.930 40.250-126.810 1.00 0.18 C ATOM 545 O LEU A 49 65.291 40.575-127.789 1.00 0.19 O ATOM 546 CB LEU A 49 64.785 39.893-124.606 1.00 0.18 C ATOM 547 CG LEU A 49 63.775 38.946-123.955 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.137 39.631-122.746 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.685 38.586-124.969 1.00 0.89 C ATOM 0 H LEU A 49 66.625 38.202-124.406 1.00 0.19 H new ATOM 0 HA LEU A 49 64.622 38.610-126.307 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.566 40.158-123.893 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.295 40.821-124.901 1.00 0.18 H new ATOM 0 HG LEU A 49 64.286 38.039-123.631 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.418 38.956-122.283 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.911 39.888-122.023 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.627 40.538-123.069 1.00 1.06 H new ATOM 0 HD21 LEU A 49 61.965 37.911-124.505 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.175 39.493-125.293 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.138 38.097-125.831 1.00 0.89 H new ATOM 561 N LYS A 50 67.114 40.756-126.576 1.00 0.20 N ATOM 562 CA LYS A 50 67.689 41.746-127.526 1.00 0.21 C ATOM 563 C LYS A 50 67.940 41.015-128.842 1.00 0.23 C ATOM 564 O LYS A 50 67.445 41.386-129.883 1.00 0.24 O ATOM 565 CB LYS A 50 69.011 42.296-126.980 1.00 0.24 C ATOM 566 CG LYS A 50 68.728 43.426-125.990 1.00 0.36 C ATOM 567 CD LYS A 50 69.909 43.573-125.029 1.00 0.84 C ATOM 568 CE LYS A 50 70.364 45.034-125.001 1.00 1.09 C ATOM 569 NZ LYS A 50 70.836 45.432-126.357 1.00 1.84 N ATOM 0 H LYS A 50 67.701 40.527-125.774 1.00 0.20 H new ATOM 0 HA LYS A 50 67.006 42.584-127.667 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.572 41.501-126.489 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.629 42.663-127.799 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.564 44.361-126.526 1.00 0.36 H new ATOM 0 HG3 LYS A 50 67.816 43.214-125.432 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.620 43.252-124.028 1.00 0.84 H new ATOM 0 HD3 LYS A 50 70.731 42.931-125.345 1.00 0.84 H new ATOM 0 HE2 LYS A 50 69.541 45.677-124.687 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.165 45.163-124.273 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.597 46.136-126.267 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.196 44.595-126.859 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.045 45.843-126.893 1.00 1.84 H new ATOM 583 N ILE A 51 68.704 39.964-128.791 1.00 0.25 N ATOM 584 CA ILE A 51 68.969 39.208-130.040 1.00 0.27 C ATOM 585 C ILE A 51 67.631 39.097-130.767 1.00 0.26 C ATOM 586 O ILE A 51 67.464 39.590-131.876 1.00 0.25 O ATOM 587 CB ILE A 51 69.500 37.812-129.708 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.021 37.871-129.545 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.147 36.848-130.841 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.378 38.880-128.452 1.00 0.30 C ATOM 0 H ILE A 51 69.151 39.600-127.950 1.00 0.25 H new ATOM 0 HA ILE A 51 69.716 39.710-130.655 1.00 0.27 H new ATOM 0 HB ILE A 51 69.047 37.463-128.780 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.408 36.886-129.286 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.488 38.159-130.487 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.526 35.854-130.604 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.064 36.806-130.959 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.599 37.197-131.769 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.461 38.922-128.336 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.004 39.865-128.730 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.924 38.572-127.510 1.00 0.30 H new ATOM 602 N GLN A 52 66.655 38.491-130.147 1.00 0.26 N ATOM 603 CA GLN A 52 65.328 38.396-130.795 1.00 0.27 C ATOM 604 C GLN A 52 64.874 39.807-131.166 1.00 0.24 C ATOM 605 O GLN A 52 64.113 39.989-132.081 1.00 0.26 O ATOM 606 CB GLN A 52 64.324 37.773-129.823 1.00 0.32 C ATOM 607 CG GLN A 52 63.181 37.134-130.613 1.00 0.45 C ATOM 608 CD GLN A 52 63.644 35.794-131.185 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.734 34.815-130.471 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.946 35.708-132.451 1.00 0.48 N ATOM 0 H GLN A 52 66.724 38.061-129.224 1.00 0.26 H new ATOM 0 HA GLN A 52 65.389 37.772-131.687 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.817 37.023-129.205 1.00 0.32 H new ATOM 0 HB3 GLN A 52 63.933 38.535-129.149 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.316 36.986-129.967 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.867 37.797-131.419 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.870 36.530-133.050 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.258 34.819-132.842 1.00 0.48 H new ATOM 619 N GLU A 53 65.327 40.807-130.451 1.00 0.23 N ATOM 620 CA GLU A 53 64.906 42.198-130.786 1.00 0.23 C ATOM 621 C GLU A 53 65.577 42.623-132.090 1.00 0.20 C ATOM 622 O GLU A 53 65.008 43.336-132.884 1.00 0.21 O ATOM 623 CB GLU A 53 65.320 43.167-129.679 1.00 0.25 C ATOM 624 CG GLU A 53 64.994 44.597-130.114 1.00 0.28 C ATOM 625 CD GLU A 53 66.180 45.509-129.788 1.00 0.33 C ATOM 626 OE1 GLU A 53 66.863 45.232-128.814 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.387 46.467-130.513 1.00 1.04 O ATOM 0 H GLU A 53 65.963 40.720-129.659 1.00 0.23 H new ATOM 0 HA GLU A 53 63.821 42.220-130.890 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.795 42.927-128.754 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.386 43.070-129.475 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.782 44.625-131.183 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.098 44.949-129.603 1.00 0.28 H new ATOM 634 N ARG A 54 66.783 42.192-132.321 1.00 0.22 N ATOM 635 CA ARG A 54 67.473 42.574-133.581 1.00 0.22 C ATOM 636 C ARG A 54 66.792 41.864-134.741 1.00 0.20 C ATOM 637 O ARG A 54 66.677 42.385-135.835 1.00 0.21 O ATOM 638 CB ARG A 54 68.928 42.122-133.511 1.00 0.24 C ATOM 639 CG ARG A 54 69.716 43.076-132.616 1.00 0.27 C ATOM 640 CD ARG A 54 70.720 43.861-133.462 1.00 0.85 C ATOM 641 NE ARG A 54 71.228 45.023-132.679 1.00 1.55 N ATOM 642 CZ ARG A 54 72.298 45.657-133.073 1.00 2.09 C ATOM 643 NH1 ARG A 54 72.923 45.274-134.153 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.744 46.673-132.387 1.00 3.03 N ATOM 0 H ARG A 54 67.320 41.593-131.694 1.00 0.22 H new ATOM 0 HA ARG A 54 67.428 43.654-133.720 1.00 0.22 H new ATOM 0 HB2 ARG A 54 68.986 41.107-133.118 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.362 42.102-134.511 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.036 43.762-132.111 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.238 42.516-131.840 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.548 43.216-133.754 1.00 0.85 H new ATOM 0 HD3 ARG A 54 70.246 44.207-134.380 1.00 0.85 H new ATOM 0 HE ARG A 54 70.739 45.322-131.835 1.00 1.55 H new ATOM 0 HH11 ARG A 54 72.575 44.479-134.689 1.00 2.40 H new ATOM 0 HH12 ARG A 54 73.760 45.770-134.461 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.256 46.972-131.543 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.581 47.169-132.695 1.00 3.03 H new ATOM 658 N ASP A 55 66.309 40.685-134.488 1.00 0.20 N ATOM 659 CA ASP A 55 65.601 39.927-135.560 1.00 0.21 C ATOM 660 C ASP A 55 64.137 40.377-135.612 1.00 0.21 C ATOM 661 O ASP A 55 63.536 40.481-136.667 1.00 0.20 O ATOM 662 CB ASP A 55 65.665 38.429-135.252 1.00 0.25 C ATOM 663 CG ASP A 55 67.109 37.942-135.383 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.916 38.680-135.924 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.384 36.839-134.940 1.00 0.94 O ATOM 0 H ASP A 55 66.371 40.210-133.588 1.00 0.20 H new ATOM 0 HA ASP A 55 66.077 40.119-136.521 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.296 38.238-134.244 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.021 37.878-135.937 1.00 0.25 H new ATOM 670 N GLU A 56 63.569 40.684-134.479 1.00 0.27 N ATOM 671 CA GLU A 56 62.161 41.154-134.449 1.00 0.32 C ATOM 672 C GLU A 56 62.123 42.545-135.045 1.00 0.30 C ATOM 673 O GLU A 56 61.357 42.828-135.941 1.00 0.31 O ATOM 674 CB GLU A 56 61.656 41.194-133.005 1.00 0.39 C ATOM 675 CG GLU A 56 61.463 39.767-132.491 1.00 0.44 C ATOM 676 CD GLU A 56 60.016 39.330-132.729 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.331 40.005-133.478 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.619 38.327-132.158 1.00 1.72 O ATOM 0 H GLU A 56 64.025 40.628-133.568 1.00 0.27 H new ATOM 0 HA GLU A 56 61.523 40.478-135.019 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.369 41.726-132.374 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.714 41.741-132.953 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.147 39.090-133.002 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.699 39.717-131.428 1.00 0.44 H new ATOM 685 N LEU A 57 62.971 43.414-134.584 1.00 0.30 N ATOM 686 CA LEU A 57 63.000 44.770-135.168 1.00 0.32 C ATOM 687 C LEU A 57 63.357 44.606-136.643 1.00 0.28 C ATOM 688 O LEU A 57 62.693 45.122-137.519 1.00 0.29 O ATOM 689 CB LEU A 57 64.064 45.622-134.472 1.00 0.36 C ATOM 690 CG LEU A 57 63.505 46.176-133.163 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.643 46.774-132.337 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.475 47.265-133.472 1.00 1.22 C ATOM 0 H LEU A 57 63.640 43.243-133.833 1.00 0.30 H new ATOM 0 HA LEU A 57 62.037 45.266-135.045 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.952 45.022-134.274 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.371 46.441-135.123 1.00 0.36 H new ATOM 0 HG LEU A 57 63.030 45.372-132.600 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.245 47.170-131.402 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.380 46.001-132.119 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.117 47.579-132.899 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.074 47.662-132.539 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.952 48.068-134.033 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.664 46.841-134.064 1.00 1.22 H new ATOM 704 N ALA A 58 64.385 43.845-136.927 1.00 0.25 N ATOM 705 CA ALA A 58 64.743 43.613-138.347 1.00 0.24 C ATOM 706 C ALA A 58 63.485 43.106-139.044 1.00 0.21 C ATOM 707 O ALA A 58 63.300 43.273-140.233 1.00 0.21 O ATOM 708 CB ALA A 58 65.852 42.563-138.443 1.00 0.24 C ATOM 0 H ALA A 58 64.981 43.382-136.241 1.00 0.25 H new ATOM 0 HA ALA A 58 65.106 44.529-138.812 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.108 42.399-139.490 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.732 42.913-137.904 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.506 41.627-138.003 1.00 0.24 H new ATOM 714 N TRP A 59 62.602 42.508-138.285 1.00 0.19 N ATOM 715 CA TRP A 59 61.336 42.018-138.888 1.00 0.18 C ATOM 716 C TRP A 59 60.379 43.198-139.080 1.00 0.20 C ATOM 717 O TRP A 59 59.948 43.476-140.183 1.00 0.30 O ATOM 718 CB TRP A 59 60.666 40.962-138.013 1.00 0.19 C ATOM 719 CG TRP A 59 59.485 40.445-138.763 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.528 39.470-139.697 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.098 40.875-138.682 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.259 39.276-140.202 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.338 40.117-139.602 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.433 41.839-137.904 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.963 40.312-139.748 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.052 42.037-138.046 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.319 41.275-138.966 1.00 0.39 C ATOM 0 H TRP A 59 62.705 42.341-137.284 1.00 0.19 H new ATOM 0 HA TRP A 59 61.574 41.559-139.848 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.361 40.153-137.787 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.357 41.392-137.060 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.413 38.930-139.999 1.00 0.26 H new ATOM 0 HE1 TRP A 59 58.028 38.597-140.927 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.989 42.431-137.192 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.402 39.724-140.459 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.551 42.780-137.444 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.256 41.432-139.071 1.00 0.39 H new ATOM 738 N LYS A 60 60.020 43.889-138.023 1.00 0.27 N ATOM 739 CA LYS A 60 59.074 45.027-138.204 1.00 0.30 C ATOM 740 C LYS A 60 59.511 45.770-139.462 1.00 0.29 C ATOM 741 O LYS A 60 58.707 46.259-140.236 1.00 0.31 O ATOM 742 CB LYS A 60 59.120 45.966-136.993 1.00 0.38 C ATOM 743 CG LYS A 60 60.263 46.972-137.151 1.00 0.42 C ATOM 744 CD LYS A 60 60.317 47.877-135.918 1.00 1.08 C ATOM 745 CE LYS A 60 59.072 48.762-135.880 1.00 1.53 C ATOM 746 NZ LYS A 60 57.962 48.031-135.207 1.00 2.27 N ATOM 0 H LYS A 60 60.334 43.718-137.068 1.00 0.27 H new ATOM 0 HA LYS A 60 58.050 44.665-138.297 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.171 46.494-136.896 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.258 45.388-136.079 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.210 46.447-137.272 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.114 47.571-138.049 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.374 47.273-135.013 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.215 48.495-135.946 1.00 1.08 H new ATOM 0 HE2 LYS A 60 59.287 49.688-135.347 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.778 49.038-136.893 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 57.196 47.858-135.889 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 58.315 47.122-134.844 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 57.599 48.602-134.417 1.00 2.27 H new ATOM 760 N LYS A 61 60.791 45.811-139.697 1.00 0.28 N ATOM 761 CA LYS A 61 61.290 46.469-140.926 1.00 0.30 C ATOM 762 C LYS A 61 60.933 45.572-142.109 1.00 0.27 C ATOM 763 O LYS A 61 60.365 46.013-143.080 1.00 0.35 O ATOM 764 CB LYS A 61 62.807 46.648-140.850 1.00 0.35 C ATOM 765 CG LYS A 61 63.187 47.225-139.485 1.00 0.40 C ATOM 766 CD LYS A 61 64.039 48.481-139.682 1.00 0.77 C ATOM 767 CE LYS A 61 63.142 49.648-140.097 1.00 1.42 C ATOM 768 NZ LYS A 61 63.971 50.710-140.733 1.00 2.43 N ATOM 0 H LYS A 61 61.510 45.417-139.090 1.00 0.28 H new ATOM 0 HA LYS A 61 60.837 47.454-141.039 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.305 45.690-141.003 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.145 47.313-141.644 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.288 47.467-138.918 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.739 46.485-138.906 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.566 48.724-138.759 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.797 48.303-140.444 1.00 0.77 H new ATOM 0 HE2 LYS A 61 62.377 49.303-140.793 1.00 1.42 H new ATOM 0 HE3 LYS A 61 62.623 50.049-139.226 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 63.361 51.504-141.015 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 64.685 51.046-140.055 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 64.446 50.323-141.573 1.00 2.43 H new ATOM 782 N LEU A 62 61.255 44.307-142.034 1.00 0.24 N ATOM 783 CA LEU A 62 60.922 43.391-143.158 1.00 0.24 C ATOM 784 C LEU A 62 59.494 43.667-143.598 1.00 0.24 C ATOM 785 O LEU A 62 59.230 44.053-144.719 1.00 0.26 O ATOM 786 CB LEU A 62 60.996 41.940-142.679 1.00 0.24 C ATOM 787 CG LEU A 62 62.429 41.416-142.779 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.646 40.343-141.711 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.652 40.799-144.160 1.00 0.41 C ATOM 0 H LEU A 62 61.733 43.872-141.245 1.00 0.24 H new ATOM 0 HA LEU A 62 61.624 43.550-143.977 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.649 41.873-141.648 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.332 41.318-143.280 1.00 0.24 H new ATOM 0 HG LEU A 62 63.129 42.238-142.629 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.666 39.965-141.777 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.482 40.774-140.723 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.945 39.524-141.870 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.674 40.426-144.231 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.953 39.975-144.308 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.488 41.556-144.927 1.00 0.41 H new ATOM 801 N LYS A 63 58.567 43.444-142.714 1.00 0.24 N ATOM 802 CA LYS A 63 57.137 43.662-143.063 1.00 0.26 C ATOM 803 C LYS A 63 56.936 45.101-143.546 1.00 0.29 C ATOM 804 O LYS A 63 56.144 45.358-144.430 1.00 0.30 O ATOM 805 CB LYS A 63 56.255 43.404-141.837 1.00 0.34 C ATOM 806 CG LYS A 63 56.194 44.661-140.967 1.00 0.46 C ATOM 807 CD LYS A 63 55.316 44.393-139.744 1.00 0.41 C ATOM 808 CE LYS A 63 54.306 45.530-139.580 1.00 0.58 C ATOM 809 NZ LYS A 63 53.257 45.416-140.632 1.00 1.20 N ATOM 0 H LYS A 63 58.737 43.119-141.762 1.00 0.24 H new ATOM 0 HA LYS A 63 56.856 42.971-143.858 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.251 43.121-142.153 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.654 42.570-141.260 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.197 44.947-140.652 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.791 45.495-141.542 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.794 43.443-139.859 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.935 44.311-138.850 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.851 45.487-138.591 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.810 46.493-139.657 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.439 46.002-140.371 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.641 45.742-141.542 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 52.958 44.424-140.718 1.00 1.20 H new ATOM 823 N LEU A 64 57.642 46.044-142.978 1.00 0.33 N ATOM 824 CA LEU A 64 57.485 47.464-143.409 1.00 0.43 C ATOM 825 C LEU A 64 57.980 47.648-144.847 1.00 0.52 C ATOM 826 O LEU A 64 57.300 48.208-145.685 1.00 0.75 O ATOM 827 CB LEU A 64 58.313 48.339-142.465 1.00 0.38 C ATOM 828 CG LEU A 64 57.470 48.726-141.250 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.365 49.376-140.193 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.385 49.716-141.677 1.00 1.23 C ATOM 0 H LEU A 64 58.322 45.891-142.233 1.00 0.33 H new ATOM 0 HA LEU A 64 56.433 47.746-143.373 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.205 47.802-142.144 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.650 49.235-142.986 1.00 0.38 H new ATOM 0 HG LEU A 64 57.004 47.833-140.832 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.764 49.652-139.327 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.139 48.671-139.888 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.831 50.269-140.610 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.783 49.992-140.811 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.851 50.608-142.095 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.746 49.254-142.430 1.00 1.23 H new ATOM 842 N ASP A 65 59.162 47.188-145.130 1.00 0.45 N ATOM 843 CA ASP A 65 59.724 47.336-146.501 1.00 0.60 C ATOM 844 C ASP A 65 59.075 46.319-147.441 1.00 0.96 C ATOM 845 O ASP A 65 59.290 46.346-148.637 1.00 0.98 O ATOM 846 CB ASP A 65 61.235 47.103-146.460 1.00 0.53 C ATOM 847 CG ASP A 65 61.946 48.419-146.136 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.411 49.459-146.482 1.00 1.31 O ATOM 849 OD2 ASP A 65 63.014 48.362-145.548 1.00 1.14 O ATOM 0 H ASP A 65 59.771 46.711-144.465 1.00 0.45 H new ATOM 0 HA ASP A 65 59.520 48.342-146.866 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.478 46.352-145.708 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.580 46.717-147.419 1.00 0.53 H new ATOM 854 N GLY A 66 58.279 45.425-146.921 1.00 1.30 N ATOM 855 CA GLY A 66 57.619 44.420-147.800 1.00 1.72 C ATOM 856 C GLY A 66 58.612 43.316-148.170 1.00 0.91 C ATOM 857 O GLY A 66 58.882 43.079-149.331 1.00 1.14 O ATOM 0 H GLY A 66 58.058 45.347-145.928 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.757 43.989-147.290 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.247 44.903-148.703 1.00 1.72 H new ATOM 861 N LEU A 67 59.152 42.629-147.198 1.00 0.37 N ATOM 862 CA LEU A 67 60.114 41.540-147.514 1.00 1.03 C ATOM 863 C LEU A 67 59.454 40.191-147.227 1.00 0.91 C ATOM 864 O LEU A 67 59.565 39.259-147.999 1.00 1.09 O ATOM 865 CB LEU A 67 61.369 41.698-146.657 1.00 1.69 C ATOM 866 CG LEU A 67 62.319 42.703-147.315 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.503 43.911-146.396 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.676 42.038-147.558 1.00 2.68 C ATOM 0 H LEU A 67 58.968 42.776-146.205 1.00 0.37 H new ATOM 0 HA LEU A 67 60.395 41.591-148.566 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.098 42.039-145.658 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.866 40.735-146.541 1.00 1.69 H new ATOM 0 HG LEU A 67 61.898 43.031-148.265 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.179 44.626-146.865 1.00 2.52 H new ATOM 0 HD12 LEU A 67 61.538 44.386-146.222 1.00 2.52 H new ATOM 0 HD13 LEU A 67 62.924 43.584-145.445 1.00 2.52 H new ATOM 0 HD21 LEU A 67 64.353 42.753-148.026 1.00 2.68 H new ATOM 0 HD22 LEU A 67 64.096 41.710-146.607 1.00 2.68 H new ATOM 0 HD23 LEU A 67 63.547 41.177-148.214 1.00 2.68 H new ATOM 880 N ASP A 68 58.714 40.097-146.157 1.00 0.69 N ATOM 881 CA ASP A 68 57.977 38.840-145.846 1.00 0.59 C ATOM 882 C ASP A 68 56.495 39.150-146.039 1.00 0.59 C ATOM 883 O ASP A 68 55.940 39.929-145.289 1.00 0.59 O ATOM 884 CB ASP A 68 58.242 38.435-144.389 1.00 0.53 C ATOM 885 CG ASP A 68 57.826 36.978-144.185 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.059 36.184-145.082 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.284 36.683-143.135 1.00 0.97 O ATOM 0 H ASP A 68 58.587 40.847-145.477 1.00 0.69 H new ATOM 0 HA ASP A 68 58.295 38.020-146.489 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.298 38.560-144.151 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.684 39.082-143.712 1.00 0.53 H new ATOM 892 N GLU A 69 55.821 38.595-147.012 1.00 0.63 N ATOM 893 CA GLU A 69 54.383 38.939-147.169 1.00 0.69 C ATOM 894 C GLU A 69 53.510 37.993-146.345 1.00 0.71 C ATOM 895 O GLU A 69 52.304 38.135-146.312 1.00 0.77 O ATOM 896 CB GLU A 69 53.994 38.828-148.645 1.00 0.73 C ATOM 897 CG GLU A 69 54.559 37.530-149.226 1.00 0.75 C ATOM 898 CD GLU A 69 56.014 37.748-149.644 1.00 1.36 C ATOM 899 OE1 GLU A 69 56.510 38.845-149.443 1.00 1.82 O ATOM 900 OE2 GLU A 69 56.608 36.815-150.159 1.00 2.06 O ATOM 0 H GLU A 69 56.197 37.932-147.690 1.00 0.63 H new ATOM 0 HA GLU A 69 54.226 39.958-146.816 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.909 38.843-148.748 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.379 39.684-149.199 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.498 36.731-148.487 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.966 37.215-150.085 1.00 0.75 H new ATOM 907 N ASP A 70 54.086 37.030-145.675 1.00 0.72 N ATOM 908 CA ASP A 70 53.253 36.100-144.865 1.00 0.78 C ATOM 909 C ASP A 70 53.722 36.165-143.413 1.00 0.69 C ATOM 910 O ASP A 70 53.153 35.553-142.531 1.00 0.84 O ATOM 911 CB ASP A 70 53.414 34.672-145.393 1.00 0.83 C ATOM 912 CG ASP A 70 53.197 34.660-146.908 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.308 35.359-147.364 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.923 33.953-147.585 1.00 1.34 O ATOM 0 H ASP A 70 55.090 36.850-145.655 1.00 0.72 H new ATOM 0 HA ASP A 70 52.203 36.386-144.932 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.408 34.295-145.154 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.697 34.010-144.907 1.00 0.83 H new ATOM 919 N GLY A 71 54.747 36.931-143.161 1.00 0.50 N ATOM 920 CA GLY A 71 55.256 37.080-141.772 1.00 0.43 C ATOM 921 C GLY A 71 55.865 35.773-141.253 1.00 0.34 C ATOM 922 O GLY A 71 55.797 35.492-140.073 1.00 0.31 O ATOM 0 H GLY A 71 55.257 37.464-143.865 1.00 0.50 H new ATOM 0 HA2 GLY A 71 56.007 37.870-141.741 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.442 37.389-141.116 1.00 0.43 H new ATOM 926 N GLU A 72 56.481 34.973-142.087 1.00 0.36 N ATOM 927 CA GLU A 72 57.087 33.726-141.544 1.00 0.34 C ATOM 928 C GLU A 72 58.296 34.134-140.701 1.00 0.30 C ATOM 929 O GLU A 72 58.419 33.770-139.550 1.00 0.30 O ATOM 930 CB GLU A 72 57.540 32.824-142.694 1.00 0.40 C ATOM 931 CG GLU A 72 58.204 31.567-142.129 1.00 1.23 C ATOM 932 CD GLU A 72 58.921 30.818-143.254 1.00 1.97 C ATOM 933 OE1 GLU A 72 58.243 30.333-144.143 1.00 2.68 O ATOM 934 OE2 GLU A 72 60.138 30.742-143.205 1.00 2.64 O ATOM 0 H GLU A 72 56.588 35.124-143.090 1.00 0.36 H new ATOM 0 HA GLU A 72 56.363 33.177-140.942 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.686 32.549-143.313 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.239 33.360-143.336 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.914 31.838-141.348 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.455 30.923-141.669 1.00 1.23 H new ATOM 941 N LYS A 73 59.185 34.907-141.263 1.00 0.31 N ATOM 942 CA LYS A 73 60.363 35.343-140.466 1.00 0.33 C ATOM 943 C LYS A 73 59.824 35.814-139.116 1.00 0.29 C ATOM 944 O LYS A 73 60.467 35.708-138.083 1.00 0.29 O ATOM 945 CB LYS A 73 61.121 36.475-141.168 1.00 0.38 C ATOM 946 CG LYS A 73 60.324 36.980-142.373 1.00 0.55 C ATOM 947 CD LYS A 73 60.706 36.167-143.613 1.00 1.07 C ATOM 948 CE LYS A 73 62.203 36.323-143.888 1.00 1.38 C ATOM 949 NZ LYS A 73 62.428 36.459-145.354 1.00 2.36 N ATOM 0 H LYS A 73 59.148 35.250-142.223 1.00 0.31 H new ATOM 0 HA LYS A 73 61.071 34.523-140.346 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.295 37.293-140.469 1.00 0.38 H new ATOM 0 HB3 LYS A 73 62.099 36.120-141.493 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.255 36.889-142.180 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.528 38.037-142.541 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.462 35.116-143.460 1.00 1.07 H new ATOM 0 HD3 LYS A 73 60.130 36.506-144.474 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.590 37.199-143.367 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.746 35.459-143.505 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.446 36.565-145.541 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.073 35.611-145.840 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 61.922 37.297-145.707 1.00 2.36 H new ATOM 963 N GLU A 74 58.594 36.246-139.116 1.00 0.28 N ATOM 964 CA GLU A 74 57.942 36.646-137.846 1.00 0.28 C ATOM 965 C GLU A 74 57.581 35.344-137.147 1.00 0.26 C ATOM 966 O GLU A 74 57.720 35.185-135.966 1.00 0.27 O ATOM 967 CB GLU A 74 56.667 37.431-138.148 1.00 0.31 C ATOM 968 CG GLU A 74 56.348 38.345-136.970 1.00 0.37 C ATOM 969 CD GLU A 74 54.843 38.334-136.692 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.132 37.641-137.402 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.426 39.019-135.773 1.00 1.11 O ATOM 0 H GLU A 74 58.012 36.338-139.948 1.00 0.28 H new ATOM 0 HA GLU A 74 58.591 37.274-137.235 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.795 38.020-139.056 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.838 36.746-138.327 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.892 38.015-136.085 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.679 39.361-137.187 1.00 0.37 H new ATOM 978 N ALA A 75 57.148 34.408-137.931 1.00 0.25 N ATOM 979 CA ALA A 75 56.804 33.077-137.371 1.00 0.27 C ATOM 980 C ALA A 75 58.046 32.593-136.644 1.00 0.26 C ATOM 981 O ALA A 75 58.060 32.476-135.437 1.00 0.27 O ATOM 982 CB ALA A 75 56.425 32.102-138.489 1.00 0.30 C ATOM 0 H ALA A 75 57.016 34.504-138.938 1.00 0.25 H new ATOM 0 HA ALA A 75 55.947 33.140-136.700 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.176 31.132-138.057 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.563 32.489-139.033 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.265 31.989-139.174 1.00 0.30 H new ATOM 988 N ARG A 76 59.095 32.325-137.360 1.00 0.28 N ATOM 989 CA ARG A 76 60.338 31.864-136.688 1.00 0.31 C ATOM 990 C ARG A 76 60.629 32.764-135.488 1.00 0.28 C ATOM 991 O ARG A 76 61.104 32.310-134.466 1.00 0.30 O ATOM 992 CB ARG A 76 61.511 31.917-137.670 1.00 0.35 C ATOM 993 CG ARG A 76 61.205 31.028-138.879 1.00 0.66 C ATOM 994 CD ARG A 76 61.462 29.563-138.523 1.00 1.00 C ATOM 995 NE ARG A 76 62.770 29.430-137.806 1.00 1.51 N ATOM 996 CZ ARG A 76 63.852 30.009-138.259 1.00 2.03 C ATOM 997 NH1 ARG A 76 63.841 30.621-139.411 1.00 2.34 N ATOM 998 NH2 ARG A 76 64.959 29.943-137.570 1.00 3.14 N ATOM 0 H ARG A 76 59.148 32.404-138.376 1.00 0.28 H new ATOM 0 HA ARG A 76 60.205 30.837-136.349 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.682 32.944-137.994 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.425 31.581-137.180 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.168 31.161-139.186 1.00 0.66 H new ATOM 0 HG3 ARG A 76 61.828 31.321-139.724 1.00 0.66 H new ATOM 0 HD2 ARG A 76 60.654 29.186-137.896 1.00 1.00 H new ATOM 0 HD3 ARG A 76 61.472 28.957-139.429 1.00 1.00 H new ATOM 0 HE ARG A 76 62.818 28.878-136.949 1.00 1.51 H new ATOM 0 HH11 ARG A 76 62.985 30.650-139.965 1.00 2.34 H new ATOM 0 HH12 ARG A 76 64.688 31.070-139.758 1.00 2.34 H new ATOM 0 HH21 ARG A 76 64.978 29.441-136.682 1.00 3.14 H new ATOM 0 HH22 ARG A 76 65.805 30.393-137.920 1.00 3.14 H new ATOM 1012 N LEU A 77 60.329 34.031-135.585 1.00 0.30 N ATOM 1013 CA LEU A 77 60.579 34.929-134.420 1.00 0.31 C ATOM 1014 C LEU A 77 59.624 34.545-133.285 1.00 0.29 C ATOM 1015 O LEU A 77 60.041 34.168-132.208 1.00 0.30 O ATOM 1016 CB LEU A 77 60.341 36.382-134.830 1.00 0.35 C ATOM 1017 CG LEU A 77 61.554 36.887-135.613 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.218 38.221-136.276 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.733 37.078-134.655 1.00 0.38 C ATOM 0 H LEU A 77 59.927 34.479-136.408 1.00 0.30 H new ATOM 0 HA LEU A 77 61.610 34.822-134.084 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.441 36.458-135.441 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.180 37.000-133.947 1.00 0.35 H new ATOM 0 HG LEU A 77 61.819 36.159-136.380 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.084 38.579-136.833 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.378 38.087-136.957 1.00 0.51 H new ATOM 0 HD13 LEU A 77 60.952 38.951-135.511 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.599 37.438-135.211 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.465 37.806-133.889 1.00 0.38 H new ATOM 0 HD23 LEU A 77 62.975 36.126-134.182 1.00 0.38 H new ATOM 1031 N ILE A 78 58.347 34.624-133.529 1.00 0.29 N ATOM 1032 CA ILE A 78 57.347 34.253-132.495 1.00 0.32 C ATOM 1033 C ILE A 78 57.711 32.896-131.915 1.00 0.30 C ATOM 1034 O ILE A 78 57.682 32.694-130.725 1.00 0.32 O ATOM 1035 CB ILE A 78 55.967 34.174-133.131 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.574 35.566-133.606 1.00 0.38 C ATOM 1037 CG2 ILE A 78 54.952 33.676-132.102 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.833 35.456-134.931 1.00 0.37 C ATOM 0 H ILE A 78 57.949 34.935-134.415 1.00 0.29 H new ATOM 0 HA ILE A 78 57.341 35.003-131.704 1.00 0.32 H new ATOM 0 HB ILE A 78 55.983 33.482-133.973 1.00 0.37 H new ATOM 0 HG12 ILE A 78 54.942 36.051-132.862 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.462 36.187-133.724 1.00 0.38 H new ATOM 0 HG21 ILE A 78 53.965 33.621-132.562 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.245 32.686-131.752 1.00 0.45 H new ATOM 0 HG23 ILE A 78 54.921 34.365-131.258 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.550 36.451-135.274 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.480 34.987-135.672 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.937 34.850-134.797 1.00 0.37 H new ATOM 1050 N ARG A 79 58.071 31.965-132.750 1.00 0.29 N ATOM 1051 CA ARG A 79 58.463 30.622-132.217 1.00 0.32 C ATOM 1052 C ARG A 79 59.716 30.795-131.355 1.00 0.26 C ATOM 1053 O ARG A 79 59.868 30.158-130.333 1.00 0.26 O ATOM 1054 CB ARG A 79 58.765 29.660-133.368 1.00 0.38 C ATOM 1055 CG ARG A 79 57.798 29.923-134.524 1.00 0.39 C ATOM 1056 CD ARG A 79 57.169 28.605-134.986 1.00 0.39 C ATOM 1057 NE ARG A 79 58.134 27.480-134.794 1.00 1.50 N ATOM 1058 CZ ARG A 79 59.398 27.622-135.100 1.00 2.14 C ATOM 1059 NH1 ARG A 79 59.821 28.724-135.656 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.235 26.648-134.871 1.00 3.27 N ATOM 0 H ARG A 79 58.113 32.067-133.764 1.00 0.29 H new ATOM 0 HA ARG A 79 57.646 30.209-131.626 1.00 0.32 H new ATOM 0 HB2 ARG A 79 59.794 29.791-133.704 1.00 0.38 H new ATOM 0 HB3 ARG A 79 58.669 28.629-133.028 1.00 0.38 H new ATOM 0 HG2 ARG A 79 57.019 30.617-134.208 1.00 0.39 H new ATOM 0 HG3 ARG A 79 58.327 30.394-135.353 1.00 0.39 H new ATOM 0 HD2 ARG A 79 56.256 28.412-134.423 1.00 0.39 H new ATOM 0 HD3 ARG A 79 56.886 28.677-136.036 1.00 0.39 H new ATOM 0 HE ARG A 79 57.803 26.591-134.420 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.165 29.480-135.854 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.808 28.830-135.893 1.00 2.28 H new ATOM 0 HH21 ARG A 79 59.903 25.778-134.454 1.00 3.27 H new ATOM 0 HH22 ARG A 79 61.221 26.756-135.109 1.00 3.27 H new ATOM 1074 N ASN A 80 60.609 31.665-131.750 1.00 0.23 N ATOM 1075 CA ASN A 80 61.843 31.888-130.938 1.00 0.21 C ATOM 1076 C ASN A 80 61.461 32.638-129.664 1.00 0.21 C ATOM 1077 O ASN A 80 62.132 32.551-128.654 1.00 0.22 O ATOM 1078 CB ASN A 80 62.854 32.707-131.742 1.00 0.23 C ATOM 1079 CG ASN A 80 63.099 32.033-133.093 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.530 30.998-133.380 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.927 32.579-133.940 1.00 1.15 N ATOM 0 H ASN A 80 60.538 32.229-132.597 1.00 0.23 H new ATOM 0 HA ASN A 80 62.296 30.930-130.682 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.480 33.720-131.892 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.790 32.791-131.191 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.097 32.137-134.844 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.404 33.448-133.699 1.00 1.15 H new ATOM 1088 N LEU A 81 60.347 33.313-129.683 1.00 0.23 N ATOM 1089 CA LEU A 81 59.884 34.000-128.451 1.00 0.28 C ATOM 1090 C LEU A 81 59.244 32.915-127.606 1.00 0.30 C ATOM 1091 O LEU A 81 59.601 32.682-126.470 1.00 0.31 O ATOM 1092 CB LEU A 81 58.851 35.074-128.800 1.00 0.35 C ATOM 1093 CG LEU A 81 59.566 36.384-129.130 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.542 37.425-129.586 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.291 36.896-127.883 1.00 1.26 C ATOM 0 H LEU A 81 59.740 33.418-130.496 1.00 0.23 H new ATOM 0 HA LEU A 81 60.702 34.496-127.929 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.249 34.752-129.650 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.168 35.221-127.964 1.00 0.35 H new ATOM 0 HG LEU A 81 60.289 36.212-129.928 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.053 38.359-129.821 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.024 37.061-130.473 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.819 37.598-128.789 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.801 37.830-128.117 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.567 37.067-127.086 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.021 36.155-127.557 1.00 1.26 H new ATOM 1107 N ASN A 82 58.328 32.215-128.201 1.00 0.35 N ATOM 1108 CA ASN A 82 57.663 31.088-127.520 1.00 0.42 C ATOM 1109 C ASN A 82 58.736 30.232-126.861 1.00 0.37 C ATOM 1110 O ASN A 82 58.754 30.056-125.659 1.00 0.38 O ATOM 1111 CB ASN A 82 56.904 30.280-128.580 1.00 0.51 C ATOM 1112 CG ASN A 82 55.500 30.859-128.757 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.320 32.060-128.759 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.488 30.048-128.906 1.00 0.98 N ATOM 0 H ASN A 82 58.007 32.384-129.154 1.00 0.35 H new ATOM 0 HA ASN A 82 56.964 31.432-126.758 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.442 30.308-129.528 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.842 29.234-128.279 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.547 30.423-129.024 1.00 0.98 H new ATOM 0 HD22 ASN A 82 54.638 29.039-128.904 1.00 0.98 H new ATOM 1121 N VAL A 83 59.649 29.717-127.633 1.00 0.35 N ATOM 1122 CA VAL A 83 60.736 28.897-127.043 1.00 0.36 C ATOM 1123 C VAL A 83 61.394 29.707-125.928 1.00 0.32 C ATOM 1124 O VAL A 83 61.520 29.253-124.812 1.00 0.35 O ATOM 1125 CB VAL A 83 61.770 28.565-128.122 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.711 27.472-127.612 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.053 28.070-129.381 1.00 0.44 C ATOM 0 H VAL A 83 59.688 29.829-128.646 1.00 0.35 H new ATOM 0 HA VAL A 83 60.334 27.966-126.643 1.00 0.36 H new ATOM 0 HB VAL A 83 62.346 29.460-128.357 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.446 27.237-128.381 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.223 27.822-126.716 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.135 26.577-127.375 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.789 27.834-130.150 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.476 27.176-129.144 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.383 28.848-129.747 1.00 0.44 H new ATOM 1137 N ILE A 84 61.812 30.909-126.222 1.00 0.27 N ATOM 1138 CA ILE A 84 62.454 31.732-125.163 1.00 0.30 C ATOM 1139 C ILE A 84 61.628 31.603-123.886 1.00 0.31 C ATOM 1140 O ILE A 84 62.141 31.285-122.828 1.00 0.37 O ATOM 1141 CB ILE A 84 62.503 33.195-125.586 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.762 33.431-126.416 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.540 34.081-124.340 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.522 34.591-127.374 1.00 0.37 C ATOM 0 H ILE A 84 61.737 31.350-127.139 1.00 0.27 H new ATOM 0 HA ILE A 84 63.473 31.383-124.997 1.00 0.30 H new ATOM 0 HB ILE A 84 61.621 33.439-126.178 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.606 33.652-125.763 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.018 32.530-126.974 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.575 35.129-124.639 1.00 0.44 H new ATOM 0 HG22 ILE A 84 61.646 33.904-123.741 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.425 33.842-123.750 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.419 34.763-127.969 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.689 34.351-128.035 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.286 35.490-126.805 1.00 0.37 H new ATOM 1156 N LEU A 85 60.346 31.839-123.973 1.00 0.35 N ATOM 1157 CA LEU A 85 59.491 31.720-122.760 1.00 0.42 C ATOM 1158 C LEU A 85 59.557 30.287-122.243 1.00 0.42 C ATOM 1159 O LEU A 85 59.941 30.042-121.126 1.00 0.47 O ATOM 1160 CB LEU A 85 58.041 32.071-123.104 1.00 0.54 C ATOM 1161 CG LEU A 85 57.831 33.579-122.954 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.074 33.983-121.500 1.00 0.69 C ATOM 1163 CD2 LEU A 85 58.814 34.326-123.857 1.00 0.61 C ATOM 0 H LEU A 85 59.858 32.107-124.827 1.00 0.35 H new ATOM 0 HA LEU A 85 59.851 32.408-121.995 1.00 0.42 H new ATOM 0 HB2 LEU A 85 57.813 31.761-124.124 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.359 31.531-122.447 1.00 0.54 H new ATOM 0 HG LEU A 85 56.810 33.832-123.240 1.00 0.61 H new ATOM 0 HD11 LEU A 85 57.925 35.057-121.391 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.375 33.452-120.853 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.095 33.728-121.217 1.00 0.69 H new ATOM 0 HD21 LEU A 85 58.663 35.400-123.749 1.00 0.61 H new ATOM 0 HD22 LEU A 85 59.835 34.072-123.572 1.00 0.61 H new ATOM 0 HD23 LEU A 85 58.645 34.038-124.895 1.00 0.61 H new ATOM 1175 N ALA A 86 59.195 29.338-123.053 1.00 0.47 N ATOM 1176 CA ALA A 86 59.251 27.920-122.607 1.00 0.58 C ATOM 1177 C ALA A 86 60.640 27.624-122.028 1.00 0.59 C ATOM 1178 O ALA A 86 60.846 26.638-121.350 1.00 0.73 O ATOM 1179 CB ALA A 86 58.999 27.010-123.810 1.00 0.64 C ATOM 0 H ALA A 86 58.862 29.481-124.006 1.00 0.47 H new ATOM 0 HA ALA A 86 58.494 27.742-121.844 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.038 25.968-123.493 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.016 27.225-124.229 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.763 27.188-124.567 1.00 0.64 H new ATOM 1185 N LYS A 87 61.597 28.465-122.318 1.00 0.50 N ATOM 1186 CA LYS A 87 62.986 28.239-121.823 1.00 0.60 C ATOM 1187 C LYS A 87 63.152 28.799-120.413 1.00 0.58 C ATOM 1188 O LYS A 87 63.646 28.132-119.525 1.00 0.71 O ATOM 1189 CB LYS A 87 63.960 28.950-122.754 1.00 0.61 C ATOM 1190 CG LYS A 87 65.333 28.279-122.674 1.00 0.82 C ATOM 1191 CD LYS A 87 66.359 29.122-123.431 1.00 0.99 C ATOM 1192 CE LYS A 87 66.547 28.556-124.840 1.00 1.63 C ATOM 1193 NZ LYS A 87 65.237 28.067-125.357 1.00 2.02 N ATOM 0 H LYS A 87 61.474 29.306-122.882 1.00 0.50 H new ATOM 0 HA LYS A 87 63.185 27.168-121.802 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.588 28.918-123.778 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.041 30.001-122.477 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.635 28.168-121.633 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.285 27.277-123.100 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.025 30.158-123.486 1.00 0.99 H new ATOM 0 HD3 LYS A 87 67.310 29.122-122.898 1.00 0.99 H new ATOM 0 HE2 LYS A 87 66.948 29.324-125.502 1.00 1.63 H new ATOM 0 HE3 LYS A 87 67.271 27.741-124.823 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 65.326 27.840-126.368 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 64.954 27.214-124.834 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 64.516 28.806-125.230 1.00 2.02 H new ATOM 1207 N TYR A 88 62.739 30.011-120.195 1.00 0.45 N ATOM 1208 CA TYR A 88 62.872 30.594-118.831 1.00 0.47 C ATOM 1209 C TYR A 88 61.720 30.079-117.982 1.00 0.54 C ATOM 1210 O TYR A 88 61.767 30.062-116.769 1.00 0.58 O ATOM 1211 CB TYR A 88 62.826 32.122-118.909 1.00 0.44 C ATOM 1212 CG TYR A 88 64.182 32.638-119.327 1.00 0.45 C ATOM 1213 CD1 TYR A 88 64.512 32.717-120.685 1.00 0.53 C ATOM 1214 CD2 TYR A 88 65.110 33.032-118.357 1.00 0.58 C ATOM 1215 CE1 TYR A 88 65.771 33.190-121.074 1.00 0.62 C ATOM 1216 CE2 TYR A 88 66.370 33.506-118.745 1.00 0.64 C ATOM 1217 CZ TYR A 88 66.699 33.585-120.104 1.00 0.61 C ATOM 1218 OH TYR A 88 67.940 34.052-120.486 1.00 0.73 O ATOM 0 H TYR A 88 62.318 30.622-120.895 1.00 0.45 H new ATOM 0 HA TYR A 88 63.824 30.303-118.387 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.067 32.439-119.624 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.547 32.539-117.941 1.00 0.44 H new ATOM 0 HD1 TYR A 88 63.795 32.413-121.433 1.00 0.53 H new ATOM 0 HD2 TYR A 88 64.855 32.971-117.309 1.00 0.58 H new ATOM 0 HE1 TYR A 88 66.026 33.250-122.122 1.00 0.62 H new ATOM 0 HE2 TYR A 88 67.087 33.810-117.997 1.00 0.64 H new ATOM 0 HH TYR A 88 68.007 34.042-121.464 1.00 0.73 H new ATOM 1228 N GLY A 89 60.673 29.686-118.637 1.00 0.59 N ATOM 1229 CA GLY A 89 59.477 29.191-117.909 1.00 0.69 C ATOM 1230 C GLY A 89 58.638 30.401-117.517 1.00 0.77 C ATOM 1231 O GLY A 89 58.140 30.499-116.412 1.00 1.09 O ATOM 0 H GLY A 89 60.591 29.685-119.654 1.00 0.59 H new ATOM 0 HA2 GLY A 89 58.900 28.513-118.538 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.774 28.629-117.024 1.00 0.69 H new ATOM 1235 N LEU A 90 58.476 31.323-118.425 1.00 0.65 N ATOM 1236 CA LEU A 90 57.670 32.536-118.135 1.00 0.75 C ATOM 1237 C LEU A 90 56.467 32.576-119.078 1.00 0.80 C ATOM 1238 O LEU A 90 55.883 33.615-119.312 1.00 1.31 O ATOM 1239 CB LEU A 90 58.537 33.772-118.370 1.00 0.82 C ATOM 1240 CG LEU A 90 58.684 34.545-117.066 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.743 35.634-117.245 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.342 35.184-116.709 1.00 1.68 C ATOM 0 H LEU A 90 58.873 31.285-119.364 1.00 0.65 H new ATOM 0 HA LEU A 90 57.324 32.516-117.102 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.518 33.476-118.742 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.085 34.407-119.132 1.00 0.82 H new ATOM 0 HG LEU A 90 58.989 33.871-116.265 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.853 36.191-116.315 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.696 35.175-117.508 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.436 36.313-118.040 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.440 35.739-115.776 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.039 35.864-117.506 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.588 34.405-116.590 1.00 1.68 H new ATOM 1254 N ASP A 91 56.097 31.451-119.627 1.00 0.77 N ATOM 1255 CA ASP A 91 54.937 31.420-120.561 1.00 0.87 C ATOM 1256 C ASP A 91 53.713 32.047-119.886 1.00 1.30 C ATOM 1257 O ASP A 91 52.611 31.987-120.392 1.00 1.70 O ATOM 1258 CB ASP A 91 54.633 29.969-120.940 1.00 1.04 C ATOM 1259 CG ASP A 91 55.935 29.256-121.311 1.00 0.99 C ATOM 1260 OD1 ASP A 91 56.980 29.712-120.878 1.00 1.42 O ATOM 1261 OD2 ASP A 91 55.863 28.267-122.021 1.00 0.84 O ATOM 0 H ASP A 91 56.549 30.551-119.468 1.00 0.77 H new ATOM 0 HA ASP A 91 55.177 31.988-121.460 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.150 29.458-120.107 1.00 1.04 H new ATOM 0 HB3 ASP A 91 53.937 29.939-121.779 1.00 1.04 H new ATOM 1266 N GLY A 92 53.905 32.658-118.749 1.00 1.77 N ATOM 1267 CA GLY A 92 52.757 33.299-118.044 1.00 2.22 C ATOM 1268 C GLY A 92 52.046 34.246-119.014 1.00 2.72 C ATOM 1269 O GLY A 92 52.449 34.395-120.150 1.00 3.30 O ATOM 0 H GLY A 92 54.806 32.741-118.278 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.064 32.539-117.683 1.00 2.22 H new ATOM 0 HA3 GLY A 92 53.110 33.848-117.171 1.00 2.22 H new ATOM 1273 N LYS A 93 50.996 34.892-118.584 1.00 3.13 N ATOM 1274 CA LYS A 93 50.276 35.827-119.494 1.00 3.96 C ATOM 1275 C LYS A 93 50.247 37.218-118.857 1.00 4.22 C ATOM 1276 O LYS A 93 49.529 38.097-119.291 1.00 4.63 O ATOM 1277 CB LYS A 93 48.844 35.332-119.708 1.00 4.60 C ATOM 1278 CG LYS A 93 48.395 35.666-121.131 1.00 4.79 C ATOM 1279 CD LYS A 93 46.979 35.133-121.360 1.00 5.91 C ATOM 1280 CE LYS A 93 46.620 35.255-122.842 1.00 6.60 C ATOM 1281 NZ LYS A 93 46.846 33.945-123.517 1.00 6.86 N ATOM 0 H LYS A 93 50.607 34.813-117.644 1.00 3.13 H new ATOM 0 HA LYS A 93 50.787 35.872-120.456 1.00 3.96 H new ATOM 0 HB2 LYS A 93 48.791 34.256-119.542 1.00 4.60 H new ATOM 0 HB3 LYS A 93 48.175 35.799-118.985 1.00 4.60 H new ATOM 0 HG2 LYS A 93 48.418 36.745-121.287 1.00 4.79 H new ATOM 0 HG3 LYS A 93 49.082 35.225-121.853 1.00 4.79 H new ATOM 0 HD2 LYS A 93 46.916 34.092-121.044 1.00 5.91 H new ATOM 0 HD3 LYS A 93 46.266 35.693-120.755 1.00 5.91 H new ATOM 0 HE2 LYS A 93 45.579 35.558-122.951 1.00 6.60 H new ATOM 0 HE3 LYS A 93 47.228 36.028-123.312 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 46.602 34.027-124.525 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 47.846 33.674-123.424 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 46.248 33.219-123.074 1.00 6.86 H new ATOM 1295 N LYS A 94 51.023 37.410-117.823 1.00 4.52 N ATOM 1296 CA LYS A 94 51.060 38.733-117.132 1.00 5.25 C ATOM 1297 C LYS A 94 50.451 39.810-118.033 1.00 5.64 C ATOM 1298 O LYS A 94 50.744 39.885-119.210 1.00 6.30 O ATOM 1299 CB LYS A 94 52.510 39.099-116.813 1.00 6.00 C ATOM 1300 CG LYS A 94 52.539 40.354-115.940 1.00 6.18 C ATOM 1301 CD LYS A 94 52.622 39.949-114.467 1.00 7.02 C ATOM 1302 CE LYS A 94 52.010 41.050-113.599 1.00 7.55 C ATOM 1303 NZ LYS A 94 52.182 40.701-112.160 1.00 7.75 N ATOM 0 H LYS A 94 51.638 36.701-117.424 1.00 4.52 H new ATOM 0 HA LYS A 94 50.484 38.671-116.209 1.00 5.25 H new ATOM 0 HB2 LYS A 94 53.000 38.273-116.297 1.00 6.00 H new ATOM 0 HB3 LYS A 94 53.064 39.272-117.736 1.00 6.00 H new ATOM 0 HG2 LYS A 94 53.394 40.975-116.206 1.00 6.18 H new ATOM 0 HG3 LYS A 94 51.644 40.952-116.114 1.00 6.18 H new ATOM 0 HD2 LYS A 94 52.093 39.009-114.307 1.00 7.02 H new ATOM 0 HD3 LYS A 94 53.661 39.783-114.183 1.00 7.02 H new ATOM 0 HE2 LYS A 94 52.490 42.005-113.813 1.00 7.55 H new ATOM 0 HE3 LYS A 94 50.952 41.166-113.832 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 51.248 40.611-111.711 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 52.693 39.799-112.080 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 52.725 41.449-111.684 1.00 7.75 H new ATOM 1317 N ASP A 95 49.605 40.644-117.489 1.00 5.55 N ATOM 1318 CA ASP A 95 48.972 41.716-118.310 1.00 6.18 C ATOM 1319 C ASP A 95 49.903 42.112-119.459 1.00 6.72 C ATOM 1320 O ASP A 95 51.030 42.514-119.248 1.00 7.02 O ATOM 1321 CB ASP A 95 48.705 42.939-117.429 1.00 6.12 C ATOM 1322 CG ASP A 95 47.423 43.633-117.893 1.00 6.05 C ATOM 1323 OD1 ASP A 95 46.372 43.020-117.794 1.00 6.22 O ATOM 1324 OD2 ASP A 95 47.512 44.764-118.340 1.00 6.23 O ATOM 0 H ASP A 95 49.325 40.628-116.508 1.00 5.55 H new ATOM 0 HA ASP A 95 48.033 41.345-118.721 1.00 6.18 H new ATOM 0 HB2 ASP A 95 48.610 42.635-116.386 1.00 6.12 H new ATOM 0 HB3 ASP A 95 49.546 43.631-117.484 1.00 6.12 H new ATOM 1329 N ALA A 96 49.436 42.003-120.672 1.00 7.12 N ATOM 1330 CA ALA A 96 50.287 42.376-121.837 1.00 7.86 C ATOM 1331 C ALA A 96 49.502 43.311-122.758 1.00 8.30 C ATOM 1332 O ALA A 96 49.792 43.432-123.932 1.00 8.93 O ATOM 1333 CB ALA A 96 50.681 41.112-122.606 1.00 8.22 C ATOM 0 H ALA A 96 48.501 41.671-120.907 1.00 7.12 H new ATOM 0 HA ALA A 96 51.187 42.881-121.486 1.00 7.86 H new ATOM 0 HB1 ALA A 96 51.304 41.384-123.458 1.00 8.22 H new ATOM 0 HB2 ALA A 96 51.238 40.445-121.948 1.00 8.22 H new ATOM 0 HB3 ALA A 96 49.782 40.606-122.960 1.00 8.22 H new ATOM 1339 N ARG A 97 48.507 43.973-122.233 1.00 8.23 N ATOM 1340 CA ARG A 97 47.702 44.901-123.074 1.00 8.95 C ATOM 1341 C ARG A 97 48.551 46.117-123.450 1.00 9.53 C ATOM 1342 O ARG A 97 49.503 46.454-122.774 1.00 9.76 O ATOM 1343 CB ARG A 97 46.470 45.361-122.290 1.00 8.85 C ATOM 1344 CG ARG A 97 45.329 45.666-123.263 1.00 8.58 C ATOM 1345 CD ARG A 97 44.028 45.848-122.480 1.00 8.65 C ATOM 1346 NE ARG A 97 42.936 45.063-123.130 1.00 9.34 N ATOM 1347 CZ ARG A 97 42.823 45.032-124.431 1.00 9.46 C ATOM 1348 NH1 ARG A 97 43.625 45.738-125.179 1.00 9.01 N ATOM 1349 NH2 ARG A 97 41.890 44.305-124.985 1.00 10.30 N ATOM 0 H ARG A 97 48.217 43.910-121.257 1.00 8.23 H new ATOM 0 HA ARG A 97 47.385 44.386-123.981 1.00 8.95 H new ATOM 0 HB2 ARG A 97 46.164 44.587-121.586 1.00 8.85 H new ATOM 0 HB3 ARG A 97 46.709 46.248-121.704 1.00 8.85 H new ATOM 0 HG2 ARG A 97 45.553 46.568-123.832 1.00 8.58 H new ATOM 0 HG3 ARG A 97 45.223 44.854-123.982 1.00 8.58 H new ATOM 0 HD2 ARG A 97 44.163 45.518-121.450 1.00 8.65 H new ATOM 0 HD3 ARG A 97 43.758 46.904-122.444 1.00 8.65 H new ATOM 0 HE ARG A 97 42.272 44.546-122.553 1.00 9.34 H new ATOM 0 HH11 ARG A 97 44.345 46.318-124.749 1.00 9.01 H new ATOM 0 HH12 ARG A 97 43.532 45.710-126.194 1.00 9.01 H new ATOM 0 HH21 ARG A 97 41.252 43.763-124.402 1.00 10.30 H new ATOM 0 HH22 ARG A 97 41.799 44.279-126.001 1.00 10.30 H new ATOM 1363 N GLN A 98 48.215 46.777-124.524 1.00 9.97 N ATOM 1364 CA GLN A 98 49.005 47.970-124.942 1.00 10.76 C ATOM 1365 C GLN A 98 48.688 49.142-124.011 1.00 10.99 C ATOM 1366 O GLN A 98 49.455 50.091-124.003 1.00 11.00 O ATOM 1367 CB GLN A 98 48.639 48.346-126.379 1.00 11.07 C ATOM 1368 CG GLN A 98 48.704 47.100-127.266 1.00 11.38 C ATOM 1369 CD GLN A 98 47.379 46.341-127.180 1.00 11.58 C ATOM 1370 OE1 GLN A 98 46.324 46.941-127.123 1.00 11.67 O ATOM 1371 NE2 GLN A 98 47.388 45.036-127.167 1.00 11.85 N ATOM 0 H GLN A 98 47.429 46.542-125.130 1.00 9.97 H new ATOM 0 HA GLN A 98 50.069 47.740-124.887 1.00 10.76 H new ATOM 0 HB2 GLN A 98 47.638 48.775-126.410 1.00 11.07 H new ATOM 0 HB3 GLN A 98 49.324 49.107-126.753 1.00 11.07 H new ATOM 0 HG2 GLN A 98 48.905 47.386-128.298 1.00 11.38 H new ATOM 0 HG3 GLN A 98 49.525 46.457-126.948 1.00 11.38 H new ATOM 0 HE21 GLN A 98 48.273 44.532-127.215 1.00 11.85 H new ATOM 0 HE22 GLN A 98 46.510 44.520-127.109 1.00 11.85 H new TER 1380 GLN A 98