USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -13.3! C(o=-24!,f=-24!) USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -10.4! C(o=-25!,f=-24!) USER MOD Single : A 22 MET CE :methyl -115:sc= -0.127 (180deg=-0.917) USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 1.14 (180deg=0.932) USER MOD Single : A 26 ASN : amide:sc= -3.91! C(o=-3.9!,f=-13!) USER MOD Single : A 27 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.26) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.664 F(o=-2.4!,f=-0.66) USER MOD Single : A 36 HIS :FLIP no HE2:sc= 0.0932 F(o=-0.69,f=0.093) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.893 F(o=-5.4!,f=-0.89) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= -2.36! (180deg=-2.56!) USER MOD Single : A 60 LYS NZ :NH3+ -148:sc= -0.118 (180deg=-1.52!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -1.24 (180deg=-1.7) USER MOD Single : A 73 LYS NZ :NH3+ 143:sc= -0.292 (180deg=-2.03!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.71 (180deg=-2.05!) USER MOD Single : A 88 TYR OH : rot 173:sc= -16.7! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.644 49.752-123.333 1.00 0.57 N ATOM 24 CA GLU A 19 64.777 48.869-123.728 1.00 0.55 C ATOM 25 C GLU A 19 64.736 48.640-125.239 1.00 0.56 C ATOM 26 O GLU A 19 65.691 48.895-125.944 1.00 0.63 O ATOM 27 CB GLU A 19 64.662 47.534-122.982 1.00 0.45 C ATOM 28 CG GLU A 19 63.211 47.050-123.005 1.00 0.38 C ATOM 29 CD GLU A 19 62.324 48.043-122.253 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.843 48.740-121.396 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.140 48.090-122.545 1.00 2.06 O ATOM 0 HA GLU A 19 65.725 49.339-123.468 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.310 46.791-123.446 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.999 47.652-121.952 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.868 46.948-124.035 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.139 46.064-122.546 1.00 0.38 H new ATOM 38 N PHE A 20 63.629 48.177-125.739 1.00 0.51 N ATOM 39 CA PHE A 20 63.498 47.943-127.203 1.00 0.54 C ATOM 40 C PHE A 20 62.480 48.944-127.735 1.00 0.55 C ATOM 41 O PHE A 20 62.045 49.817-127.011 1.00 0.57 O ATOM 42 CB PHE A 20 63.000 46.519-127.438 1.00 0.52 C ATOM 43 CG PHE A 20 63.799 45.581-126.571 1.00 0.52 C ATOM 44 CD1 PHE A 20 65.114 45.251-126.914 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.225 45.055-125.412 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.854 44.391-126.093 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.963 44.199-124.588 1.00 0.51 C ATOM 48 CZ PHE A 20 65.279 43.865-124.928 1.00 0.56 C ATOM 0 H PHE A 20 62.800 47.948-125.191 1.00 0.51 H new ATOM 0 HA PHE A 20 64.455 48.068-127.710 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.939 46.445-127.198 1.00 0.52 H new ATOM 0 HB3 PHE A 20 63.109 46.249-128.488 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.558 45.659-127.810 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.208 45.310-125.151 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.869 44.133-126.358 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.518 43.796-123.690 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.850 43.203-124.294 1.00 0.56 H new ATOM 58 N ARG A 21 62.066 48.847-128.969 1.00 0.57 N ATOM 59 CA ARG A 21 61.059 49.815-129.478 1.00 0.60 C ATOM 60 C ARG A 21 59.842 49.013-129.924 1.00 0.57 C ATOM 61 O ARG A 21 58.921 49.520-130.532 1.00 0.59 O ATOM 62 CB ARG A 21 61.635 50.559-130.677 1.00 0.69 C ATOM 63 CG ARG A 21 62.927 51.269-130.270 1.00 0.74 C ATOM 64 CD ARG A 21 63.422 52.133-131.431 1.00 0.82 C ATOM 65 NE ARG A 21 64.907 52.238-131.373 1.00 1.35 N ATOM 66 CZ ARG A 21 65.572 52.668-132.411 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.937 53.004-133.500 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.873 52.759-132.359 1.00 2.72 N ATOM 0 H ARG A 21 62.379 48.145-129.640 1.00 0.57 H new ATOM 0 HA ARG A 21 60.790 50.536-128.706 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.833 49.860-131.490 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.912 51.284-131.049 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.752 51.889-129.390 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.687 50.536-129.998 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.114 51.696-132.381 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.974 53.125-131.377 1.00 0.82 H new ATOM 0 HE ARG A 21 65.404 51.974-130.522 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.920 52.931-133.541 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.457 53.340-134.311 1.00 2.06 H new ATOM 0 HH21 ARG A 21 67.369 52.494-131.508 1.00 2.72 H new ATOM 0 HH22 ARG A 21 67.394 53.095-133.169 1.00 2.72 H new ATOM 82 N MET A 22 59.847 47.756-129.596 1.00 0.54 N ATOM 83 CA MET A 22 58.710 46.870-129.954 1.00 0.55 C ATOM 84 C MET A 22 57.839 46.694-128.714 1.00 0.49 C ATOM 85 O MET A 22 58.331 46.458-127.630 1.00 0.63 O ATOM 86 CB MET A 22 59.243 45.510-130.408 1.00 0.61 C ATOM 87 CG MET A 22 59.571 45.561-131.901 1.00 0.71 C ATOM 88 SD MET A 22 58.052 45.849-132.843 1.00 1.14 S ATOM 89 CE MET A 22 57.712 44.122-133.261 1.00 1.25 C ATOM 0 H MET A 22 60.602 47.297-129.087 1.00 0.54 H new ATOM 0 HA MET A 22 58.128 47.307-130.765 1.00 0.55 H new ATOM 0 HB2 MET A 22 60.135 45.249-129.838 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.502 44.734-130.214 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.291 46.355-132.099 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.034 44.626-132.215 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.788 43.987-134.340 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.437 43.478-132.763 1.00 1.25 H new ATOM 0 HE3 MET A 22 56.707 43.859-132.932 1.00 1.25 H new ATOM 99 N GLU A 23 56.553 46.831-128.851 1.00 0.47 N ATOM 100 CA GLU A 23 55.673 46.695-127.661 1.00 0.46 C ATOM 101 C GLU A 23 55.781 45.286-127.075 1.00 0.50 C ATOM 102 O GLU A 23 55.887 45.124-125.878 1.00 0.50 O ATOM 103 CB GLU A 23 54.223 46.976-128.058 1.00 0.50 C ATOM 104 CG GLU A 23 54.104 48.408-128.583 1.00 1.45 C ATOM 105 CD GLU A 23 54.026 49.379-127.405 1.00 2.02 C ATOM 106 OE1 GLU A 23 53.788 48.921-126.299 1.00 2.68 O ATOM 107 OE2 GLU A 23 54.205 50.566-127.626 1.00 2.48 O ATOM 0 H GLU A 23 56.075 47.030-129.730 1.00 0.47 H new ATOM 0 HA GLU A 23 55.991 47.415-126.906 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.901 46.269-128.823 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.566 46.837-127.199 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.962 48.649-129.210 1.00 1.45 H new ATOM 0 HG3 GLU A 23 53.216 48.505-129.207 1.00 1.45 H new ATOM 114 N LYS A 24 55.750 44.261-127.883 1.00 0.54 N ATOM 115 CA LYS A 24 55.849 42.884-127.324 1.00 0.59 C ATOM 116 C LYS A 24 57.098 42.773-126.453 1.00 0.53 C ATOM 117 O LYS A 24 57.035 42.373-125.307 1.00 0.55 O ATOM 118 CB LYS A 24 55.941 41.878-128.471 1.00 0.67 C ATOM 119 CG LYS A 24 57.012 42.338-129.462 1.00 0.64 C ATOM 120 CD LYS A 24 56.866 41.561-130.771 1.00 0.77 C ATOM 121 CE LYS A 24 56.676 40.074-130.464 1.00 1.46 C ATOM 122 NZ LYS A 24 56.970 39.273-131.687 1.00 2.09 N ATOM 0 H LYS A 24 55.661 44.317-128.898 1.00 0.54 H new ATOM 0 HA LYS A 24 54.966 42.673-126.720 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.188 40.889-128.084 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.977 41.792-128.973 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.914 43.407-129.649 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.005 42.178-129.041 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.014 41.938-131.337 1.00 0.77 H new ATOM 0 HD3 LYS A 24 57.750 41.705-131.392 1.00 0.77 H new ATOM 0 HE2 LYS A 24 57.336 39.772-129.651 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.655 39.888-130.131 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.712 38.279-131.521 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.419 39.645-132.487 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 57.985 39.335-131.907 1.00 2.09 H new ATOM 136 N LEU A 25 58.231 43.127-126.985 1.00 0.47 N ATOM 137 CA LEU A 25 59.491 43.047-126.194 1.00 0.42 C ATOM 138 C LEU A 25 59.348 43.882-124.921 1.00 0.39 C ATOM 139 O LEU A 25 59.530 43.402-123.823 1.00 0.55 O ATOM 140 CB LEU A 25 60.637 43.616-127.031 1.00 0.43 C ATOM 141 CG LEU A 25 61.247 42.526-127.911 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.255 42.994-129.368 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.683 42.266-127.455 1.00 1.03 C ATOM 0 H LEU A 25 58.341 43.471-127.939 1.00 0.47 H new ATOM 0 HA LEU A 25 59.694 42.009-125.931 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.270 44.432-127.654 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.402 44.034-126.376 1.00 0.43 H new ATOM 0 HG LEU A 25 60.660 41.612-127.827 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.690 42.217-129.997 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.233 43.193-129.692 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.847 43.905-129.454 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.127 41.489-128.077 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.266 43.183-127.548 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.681 41.941-126.415 1.00 1.03 H new ATOM 155 N ASN A 26 59.019 45.131-125.071 1.00 0.39 N ATOM 156 CA ASN A 26 58.863 45.990-123.863 1.00 0.37 C ATOM 157 C ASN A 26 57.954 45.246-122.883 1.00 0.40 C ATOM 158 O ASN A 26 58.286 45.021-121.737 1.00 0.40 O ATOM 159 CB ASN A 26 58.223 47.328-124.232 1.00 0.41 C ATOM 160 CG ASN A 26 58.974 47.953-125.408 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.704 47.278-126.106 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.825 49.226-125.658 1.00 0.45 N ATOM 0 H ASN A 26 58.852 45.593-125.965 1.00 0.39 H new ATOM 0 HA ASN A 26 59.839 46.191-123.421 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.175 47.181-124.494 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.245 48.001-123.375 1.00 0.41 H new ATOM 0 HD21 ASN A 26 59.322 49.654-126.440 1.00 0.45 H new ATOM 0 HD22 ASN A 26 58.212 49.793-125.072 1.00 0.45 H new ATOM 169 N GLN A 27 56.802 44.874-123.355 1.00 0.44 N ATOM 170 CA GLN A 27 55.826 44.149-122.504 1.00 0.50 C ATOM 171 C GLN A 27 56.526 42.982-121.808 1.00 0.47 C ATOM 172 O GLN A 27 56.510 42.871-120.594 1.00 0.48 O ATOM 173 CB GLN A 27 54.688 43.613-123.374 1.00 0.59 C ATOM 174 CG GLN A 27 53.609 44.689-123.524 1.00 0.58 C ATOM 175 CD GLN A 27 52.417 44.343-122.629 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.590 43.874-121.522 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.206 44.558-123.065 1.00 2.02 N ATOM 0 H GLN A 27 56.490 45.045-124.311 1.00 0.44 H new ATOM 0 HA GLN A 27 55.421 44.830-121.756 1.00 0.50 H new ATOM 0 HB2 GLN A 27 55.069 43.326-124.354 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.262 42.717-122.923 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.012 45.664-123.251 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.289 44.756-124.564 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.061 44.952-123.995 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.404 44.332-122.476 1.00 2.02 H new ATOM 186 N LEU A 28 57.127 42.098-122.558 1.00 0.47 N ATOM 187 CA LEU A 28 57.804 40.925-121.933 1.00 0.47 C ATOM 188 C LEU A 28 58.879 41.387-120.953 1.00 0.39 C ATOM 189 O LEU A 28 58.950 40.915-119.835 1.00 0.50 O ATOM 190 CB LEU A 28 58.451 40.073-123.027 1.00 0.50 C ATOM 191 CG LEU A 28 57.366 39.517-123.950 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.004 38.592-124.988 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.349 38.728-123.122 1.00 1.21 C ATOM 0 H LEU A 28 57.179 42.137-123.576 1.00 0.47 H new ATOM 0 HA LEU A 28 57.062 40.338-121.391 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.158 40.673-123.600 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.016 39.256-122.579 1.00 0.50 H new ATOM 0 HG LEU A 28 56.863 40.340-124.457 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.231 38.195-125.646 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.730 39.152-125.577 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.507 37.768-124.481 1.00 1.41 H new ATOM 0 HD21 LEU A 28 55.575 38.331-123.779 1.00 1.21 H new ATOM 0 HD22 LEU A 28 56.853 37.905-122.616 1.00 1.21 H new ATOM 0 HD23 LEU A 28 55.894 39.386-122.381 1.00 1.21 H new ATOM 205 N TRP A 29 59.713 42.308-121.346 1.00 0.37 N ATOM 206 CA TRP A 29 60.773 42.801-120.431 1.00 0.30 C ATOM 207 C TRP A 29 60.121 43.235-119.123 1.00 0.36 C ATOM 208 O TRP A 29 60.400 42.708-118.059 1.00 0.39 O ATOM 209 CB TRP A 29 61.420 43.999-121.128 1.00 0.32 C ATOM 210 CG TRP A 29 62.591 44.521-120.371 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.813 45.829-120.144 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.707 43.803-119.768 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.990 45.971-119.444 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.578 44.753-119.183 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.048 42.442-119.665 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.741 44.370-118.526 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.221 42.055-119.001 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.065 43.020-118.433 1.00 0.41 C ATOM 0 H TRP A 29 59.704 42.742-122.269 1.00 0.37 H new ATOM 0 HA TRP A 29 61.519 42.038-120.209 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.737 43.708-122.130 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.682 44.792-121.245 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.171 46.638-120.460 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.379 46.868-119.154 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.404 41.692-120.099 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.389 45.116-118.090 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.476 41.008-118.927 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.967 42.715-117.923 1.00 0.41 H new ATOM 229 N GLU A 30 59.266 44.210-119.201 1.00 0.45 N ATOM 230 CA GLU A 30 58.602 44.704-117.972 1.00 0.56 C ATOM 231 C GLU A 30 58.174 43.485-117.157 1.00 0.50 C ATOM 232 O GLU A 30 58.384 43.415-115.960 1.00 0.52 O ATOM 233 CB GLU A 30 57.371 45.532-118.351 1.00 0.68 C ATOM 234 CG GLU A 30 57.807 46.948-118.733 1.00 0.86 C ATOM 235 CD GLU A 30 56.599 47.732-119.250 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.510 47.183-119.232 1.00 2.06 O ATOM 237 OE2 GLU A 30 56.784 48.868-119.654 1.00 2.33 O ATOM 0 H GLU A 30 58.999 44.686-120.063 1.00 0.45 H new ATOM 0 HA GLU A 30 59.279 45.333-117.394 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.847 45.064-119.184 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.672 45.568-117.515 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.239 47.453-117.869 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.582 46.907-119.498 1.00 0.86 H new ATOM 244 N LYS A 31 57.589 42.514-117.802 1.00 0.46 N ATOM 245 CA LYS A 31 57.160 41.287-117.072 1.00 0.45 C ATOM 246 C LYS A 31 58.369 40.647-116.373 1.00 0.43 C ATOM 247 O LYS A 31 58.337 40.365-115.187 1.00 0.46 O ATOM 248 CB LYS A 31 56.563 40.288-118.066 1.00 0.44 C ATOM 249 CG LYS A 31 55.047 40.215-117.872 1.00 0.91 C ATOM 250 CD LYS A 31 54.481 39.069-118.712 1.00 0.99 C ATOM 251 CE LYS A 31 54.625 39.405-120.198 1.00 1.36 C ATOM 252 NZ LYS A 31 53.424 38.920-120.936 1.00 2.08 N ATOM 0 H LYS A 31 57.389 42.517-118.802 1.00 0.46 H new ATOM 0 HA LYS A 31 56.413 41.556-116.325 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.795 40.592-119.087 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.007 39.303-117.918 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.811 40.060-116.819 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.586 41.158-118.166 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.009 38.143-118.485 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.432 38.907-118.465 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.736 40.481-120.329 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.525 38.941-120.601 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.522 39.148-121.946 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.338 37.890-120.820 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.573 39.383-120.557 1.00 2.08 H new ATOM 266 N ALA A 32 59.436 40.405-117.091 1.00 0.41 N ATOM 267 CA ALA A 32 60.623 39.776-116.442 1.00 0.41 C ATOM 268 C ALA A 32 61.022 40.601-115.222 1.00 0.41 C ATOM 269 O ALA A 32 60.976 40.127-114.095 1.00 0.42 O ATOM 270 CB ALA A 32 61.795 39.722-117.424 1.00 0.42 C ATOM 0 H ALA A 32 59.536 40.613-118.085 1.00 0.41 H new ATOM 0 HA ALA A 32 60.369 38.760-116.138 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.655 39.261-116.939 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.512 39.133-118.296 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.054 40.733-117.737 1.00 0.42 H new ATOM 276 N GLN A 33 61.402 41.837-115.408 1.00 0.43 N ATOM 277 CA GLN A 33 61.776 42.647-114.226 1.00 0.47 C ATOM 278 C GLN A 33 60.724 42.403-113.153 1.00 0.49 C ATOM 279 O GLN A 33 61.016 42.354-111.975 1.00 0.53 O ATOM 280 CB GLN A 33 61.814 44.129-114.605 1.00 0.51 C ATOM 281 CG GLN A 33 62.922 44.361-115.639 1.00 0.53 C ATOM 282 CD GLN A 33 62.607 45.620-116.449 1.00 0.75 C ATOM 283 OE1 GLN A 33 61.546 45.643-117.210 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.332 46.593-116.390 1.00 1.23 N flip ATOM 0 H GLN A 33 61.467 42.308-116.310 1.00 0.43 H new ATOM 0 HA GLN A 33 62.763 42.366-113.860 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.851 44.437-115.012 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.995 44.738-113.719 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.884 44.469-115.139 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.002 43.499-116.302 1.00 0.53 H new ATOM 0 HE21 GLN A 33 64.161 46.576-115.796 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.112 47.427-116.935 1.00 1.23 H new ATOM 293 N ARG A 34 59.497 42.226-113.561 1.00 0.49 N ATOM 294 CA ARG A 34 58.421 41.957-112.575 1.00 0.52 C ATOM 295 C ARG A 34 58.755 40.675-111.826 1.00 0.52 C ATOM 296 O ARG A 34 58.596 40.589-110.624 1.00 0.55 O ATOM 297 CB ARG A 34 57.088 41.795-113.301 1.00 0.56 C ATOM 298 CG ARG A 34 56.052 42.739-112.688 1.00 0.67 C ATOM 299 CD ARG A 34 54.649 42.291-113.099 1.00 1.59 C ATOM 300 NE ARG A 34 53.862 43.467-113.575 1.00 1.96 N ATOM 301 CZ ARG A 34 53.939 44.614-112.952 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.657 44.729-111.870 1.00 3.42 N ATOM 303 NH2 ARG A 34 53.277 45.643-113.406 1.00 3.58 N ATOM 0 H ARG A 34 59.197 42.257-114.535 1.00 0.49 H new ATOM 0 HA ARG A 34 58.344 42.788-111.874 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.211 42.013-114.362 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.744 40.763-113.226 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.142 42.739-111.602 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.232 43.761-113.023 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.713 41.541-113.888 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.145 41.822-112.254 1.00 1.59 H new ATOM 0 HE ARG A 34 53.259 43.375-114.393 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.162 43.922-111.505 1.00 3.42 H new ATOM 0 HH12 ARG A 34 54.713 45.626-111.388 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.702 45.551-114.244 1.00 3.58 H new ATOM 0 HH22 ARG A 34 53.334 46.540-112.923 1.00 3.58 H new ATOM 317 N LEU A 35 59.248 39.682-112.513 1.00 0.50 N ATOM 318 CA LEU A 35 59.623 38.422-111.816 1.00 0.54 C ATOM 319 C LEU A 35 60.907 38.696-111.039 1.00 0.55 C ATOM 320 O LEU A 35 61.343 37.912-110.220 1.00 0.61 O ATOM 321 CB LEU A 35 59.861 37.312-112.840 1.00 0.57 C ATOM 322 CG LEU A 35 58.520 36.722-113.277 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.886 37.626-114.336 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.745 35.329-113.867 1.00 0.84 C ATOM 0 H LEU A 35 59.406 39.689-113.521 1.00 0.50 H new ATOM 0 HA LEU A 35 58.827 38.101-111.144 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.394 37.709-113.704 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.489 36.533-112.408 1.00 0.57 H new ATOM 0 HG LEU A 35 57.856 36.650-112.415 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.930 37.206-114.648 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.726 38.620-113.918 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.549 37.697-115.198 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.790 34.907-114.179 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.408 35.402-114.729 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.198 34.684-113.114 1.00 0.84 H new ATOM 336 N HIS A 36 61.494 39.833-111.291 1.00 0.53 N ATOM 337 CA HIS A 36 62.746 40.226-110.569 1.00 0.58 C ATOM 338 C HIS A 36 63.891 39.245-110.858 1.00 0.49 C ATOM 339 O HIS A 36 64.404 38.591-109.972 1.00 1.37 O ATOM 340 CB HIS A 36 62.477 40.259-109.063 1.00 0.98 C ATOM 341 CG HIS A 36 61.948 41.614-108.676 1.00 1.43 C ATOM 342 ND1 HIS A 36 60.811 42.293-109.035 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.627 42.448-107.801 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.780 43.528-108.394 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 61.898 43.571-107.664 1.00 2.17 N flip ATOM 0 H HIS A 36 61.160 40.515-111.972 1.00 0.53 H new ATOM 0 HA HIS A 36 63.044 41.213-110.921 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.757 39.486-108.795 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.394 40.045-108.514 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.097 41.945-109.675 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.569 42.235-107.318 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.016 44.288-108.470 1.00 2.32 H new ATOM 353 N LEU A 37 64.274 39.133-112.095 1.00 0.59 N ATOM 354 CA LEU A 37 65.372 38.179-112.436 1.00 0.43 C ATOM 355 C LEU A 37 66.719 38.890-112.254 1.00 0.44 C ATOM 356 O LEU A 37 66.921 39.976-112.759 1.00 0.42 O ATOM 357 CB LEU A 37 65.278 37.735-113.895 1.00 0.53 C ATOM 358 CG LEU A 37 63.847 37.356-114.258 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.138 38.575-114.849 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.881 36.239-115.304 1.00 0.82 C ATOM 0 H LEU A 37 63.883 39.652-112.881 1.00 0.59 H new ATOM 0 HA LEU A 37 65.285 37.309-111.785 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.622 38.538-114.546 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.938 36.884-114.063 1.00 0.53 H new ATOM 0 HG LEU A 37 63.315 37.018-113.369 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.114 38.309-115.110 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.128 39.381-114.115 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.667 38.905-115.743 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.862 35.960-115.571 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.406 36.589-116.193 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.399 35.372-114.894 1.00 0.82 H new ATOM 372 N PRO A 38 67.642 38.282-111.542 1.00 0.57 N ATOM 373 CA PRO A 38 68.978 38.898-111.326 1.00 0.66 C ATOM 374 C PRO A 38 69.604 39.325-112.647 1.00 0.58 C ATOM 375 O PRO A 38 69.179 38.898-113.692 1.00 0.52 O ATOM 376 CB PRO A 38 69.776 37.750-110.703 1.00 0.81 C ATOM 377 CG PRO A 38 68.801 36.627-110.326 1.00 0.82 C ATOM 378 CD PRO A 38 67.421 36.953-110.915 1.00 0.69 C ATOM 0 HA PRO A 38 68.944 39.797-110.710 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.523 37.383-111.407 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.313 38.097-109.820 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.159 35.672-110.709 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.736 36.531-109.242 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.106 36.208-111.645 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.650 36.991-110.145 1.00 0.69 H new ATOM 386 N PRO A 39 70.608 40.148-112.612 1.00 0.62 N ATOM 387 CA PRO A 39 71.265 40.586-113.865 1.00 0.60 C ATOM 388 C PRO A 39 71.753 39.391-114.689 1.00 0.53 C ATOM 389 O PRO A 39 71.555 39.317-115.872 1.00 0.51 O ATOM 390 CB PRO A 39 72.441 41.420-113.351 1.00 0.74 C ATOM 391 CG PRO A 39 72.349 41.519-111.821 1.00 0.81 C ATOM 392 CD PRO A 39 71.153 40.687-111.343 1.00 0.74 C ATOM 0 HA PRO A 39 70.600 41.135-114.531 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.385 40.960-113.643 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.420 42.415-113.795 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.269 41.155-111.363 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.231 42.559-111.516 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.458 39.892-110.662 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.421 41.296-110.813 1.00 0.74 H new ATOM 400 N VAL A 40 72.445 38.494-114.061 1.00 0.52 N ATOM 401 CA VAL A 40 73.021 37.315-114.773 1.00 0.47 C ATOM 402 C VAL A 40 71.937 36.556-115.542 1.00 0.41 C ATOM 403 O VAL A 40 72.025 36.354-116.743 1.00 0.37 O ATOM 404 CB VAL A 40 73.659 36.385-113.735 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.600 35.454-113.142 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.760 35.555-114.399 1.00 0.50 C ATOM 0 H VAL A 40 72.644 38.523-113.061 1.00 0.52 H new ATOM 0 HA VAL A 40 73.767 37.659-115.490 1.00 0.47 H new ATOM 0 HB VAL A 40 74.089 36.987-112.935 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.064 34.798-112.406 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.823 36.047-112.661 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.158 34.853-113.937 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.213 34.894-113.660 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.331 34.959-115.204 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.522 36.220-114.806 1.00 0.50 H new ATOM 416 N ARG A 41 70.911 36.147-114.865 1.00 0.42 N ATOM 417 CA ARG A 41 69.821 35.405-115.555 1.00 0.40 C ATOM 418 C ARG A 41 68.982 36.401-116.337 1.00 0.34 C ATOM 419 O ARG A 41 68.353 36.072-117.332 1.00 0.30 O ATOM 420 CB ARG A 41 68.939 34.699-114.522 1.00 0.46 C ATOM 421 CG ARG A 41 67.880 33.864-115.245 1.00 0.87 C ATOM 422 CD ARG A 41 66.824 33.393-114.242 1.00 1.00 C ATOM 423 NE ARG A 41 67.498 32.885-113.013 1.00 1.53 N ATOM 424 CZ ARG A 41 66.809 32.708-111.918 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.532 32.974-111.901 1.00 2.54 N ATOM 426 NH2 ARG A 41 67.399 32.263-110.842 1.00 3.12 N ATOM 0 H ARG A 41 70.775 36.292-113.864 1.00 0.42 H new ATOM 0 HA ARG A 41 70.247 34.659-116.226 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.548 34.060-113.883 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.460 35.433-113.874 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.411 34.455-116.031 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.347 33.005-115.727 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.155 34.215-113.989 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.211 32.608-114.685 1.00 1.00 H new ATOM 0 HE ARG A 41 68.496 32.676-113.028 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.072 33.320-112.743 1.00 2.54 H new ATOM 0 HH12 ARG A 41 64.994 32.836-111.046 1.00 2.54 H new ATOM 0 HH21 ARG A 41 68.397 32.054-110.857 1.00 3.12 H new ATOM 0 HH22 ARG A 41 66.862 32.124-109.986 1.00 3.12 H new ATOM 440 N LEU A 42 68.978 37.625-115.899 1.00 0.35 N ATOM 441 CA LEU A 42 68.184 38.649-116.614 1.00 0.30 C ATOM 442 C LEU A 42 68.952 39.080-117.856 1.00 0.31 C ATOM 443 O LEU A 42 68.378 39.560-118.800 1.00 0.49 O ATOM 444 CB LEU A 42 67.899 39.844-115.702 1.00 0.32 C ATOM 445 CG LEU A 42 66.849 40.751-116.353 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.455 40.136-116.232 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.852 42.111-115.648 1.00 0.60 C ATOM 0 H LEU A 42 69.488 37.957-115.081 1.00 0.35 H new ATOM 0 HA LEU A 42 67.222 38.230-116.910 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.543 39.497-114.732 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.817 40.404-115.523 1.00 0.32 H new ATOM 0 HG LEU A 42 67.095 40.867-117.408 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.724 40.796-116.700 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.441 39.167-116.730 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.205 40.007-115.179 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.107 42.760-116.107 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.614 41.975-114.593 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.838 42.567-115.741 1.00 0.60 H new ATOM 459 N ALA A 43 70.241 38.868-117.889 1.00 0.30 N ATOM 460 CA ALA A 43 71.023 39.215-119.102 1.00 0.30 C ATOM 461 C ALA A 43 70.870 38.024-120.028 1.00 0.29 C ATOM 462 O ALA A 43 70.805 38.135-121.224 1.00 0.28 O ATOM 463 CB ALA A 43 72.497 39.413-118.737 1.00 0.36 C ATOM 0 H ALA A 43 70.784 38.468-117.124 1.00 0.30 H new ATOM 0 HA ALA A 43 70.675 40.139-119.564 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.063 39.667-119.633 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.587 40.220-118.010 1.00 0.36 H new ATOM 0 HB3 ALA A 43 72.892 38.493-118.307 1.00 0.36 H new ATOM 469 N GLU A 44 70.777 36.875-119.448 1.00 0.30 N ATOM 470 CA GLU A 44 70.568 35.679-120.295 1.00 0.32 C ATOM 471 C GLU A 44 69.286 35.959-121.093 1.00 0.30 C ATOM 472 O GLU A 44 69.297 36.052-122.306 1.00 0.34 O ATOM 473 CB GLU A 44 70.400 34.432-119.422 1.00 0.37 C ATOM 474 CG GLU A 44 70.513 33.179-120.294 1.00 1.15 C ATOM 475 CD GLU A 44 69.636 32.070-119.711 1.00 2.05 C ATOM 476 OE1 GLU A 44 69.250 32.190-118.559 1.00 2.80 O ATOM 477 OE2 GLU A 44 69.363 31.119-120.425 1.00 2.92 O ATOM 0 H GLU A 44 70.835 36.708-118.443 1.00 0.30 H new ATOM 0 HA GLU A 44 71.417 35.493-120.953 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.162 34.415-118.643 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.432 34.453-118.921 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.202 33.404-121.314 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.551 32.849-120.342 1.00 1.15 H new ATOM 484 N LEU A 45 68.187 36.107-120.403 1.00 0.28 N ATOM 485 CA LEU A 45 66.887 36.400-121.097 1.00 0.29 C ATOM 486 C LEU A 45 66.942 37.793-121.757 1.00 0.24 C ATOM 487 O LEU A 45 66.678 37.951-122.925 1.00 0.25 O ATOM 488 CB LEU A 45 65.747 36.373-120.076 1.00 0.34 C ATOM 489 CG LEU A 45 64.422 36.682-120.778 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.671 35.379-121.055 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.568 37.579-119.880 1.00 0.77 C ATOM 0 H LEU A 45 68.127 36.039-119.387 1.00 0.28 H new ATOM 0 HA LEU A 45 66.716 35.645-121.864 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.697 35.395-119.597 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.933 37.104-119.289 1.00 0.34 H new ATOM 0 HG LEU A 45 64.622 37.192-121.720 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.728 35.602-121.555 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.278 34.738-121.694 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.471 34.867-120.114 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.624 37.800-120.378 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.370 37.068-118.938 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.101 38.509-119.683 1.00 0.77 H new ATOM 503 N HIS A 46 67.279 38.792-120.993 1.00 0.21 N ATOM 504 CA HIS A 46 67.350 40.182-121.557 1.00 0.20 C ATOM 505 C HIS A 46 68.227 40.160-122.814 1.00 0.19 C ATOM 506 O HIS A 46 67.842 40.620-123.874 1.00 0.21 O ATOM 507 CB HIS A 46 67.961 41.152-120.542 1.00 0.23 C ATOM 508 CG HIS A 46 67.969 42.544-121.118 1.00 0.24 C ATOM 509 ND1 HIS A 46 66.984 43.492-121.250 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.116 43.115-121.647 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.508 44.633-121.851 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.795 44.352-122.069 1.00 0.31 N flip ATOM 0 H HIS A 46 67.510 38.714-120.002 1.00 0.21 H new ATOM 0 HA HIS A 46 66.341 40.517-121.796 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.388 41.134-119.615 1.00 0.23 H new ATOM 0 HB3 HIS A 46 68.977 40.844-120.294 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.015 43.377-120.953 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.090 42.652-121.709 1.00 0.27 H new ATOM 0 HE1 HIS A 46 66.986 45.548-122.089 1.00 0.35 H new ATOM 520 N ALA A 47 69.405 39.624-122.693 1.00 0.19 N ATOM 521 CA ALA A 47 70.341 39.548-123.851 1.00 0.22 C ATOM 522 C ALA A 47 69.649 38.860-125.020 1.00 0.21 C ATOM 523 O ALA A 47 69.504 39.421-126.089 1.00 0.22 O ATOM 524 CB ALA A 47 71.574 38.730-123.451 1.00 0.27 C ATOM 0 H ALA A 47 69.768 39.227-121.826 1.00 0.19 H new ATOM 0 HA ALA A 47 70.640 40.555-124.142 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.261 38.672-124.295 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.072 39.211-122.609 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.266 37.725-123.164 1.00 0.27 H new ATOM 530 N ASP A 48 69.209 37.652-124.823 1.00 0.22 N ATOM 531 CA ASP A 48 68.517 36.933-125.927 1.00 0.25 C ATOM 532 C ASP A 48 67.396 37.827-126.446 1.00 0.22 C ATOM 533 O ASP A 48 67.218 38.001-127.633 1.00 0.25 O ATOM 534 CB ASP A 48 67.931 35.621-125.401 1.00 0.28 C ATOM 535 CG ASP A 48 68.985 34.886-124.572 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.079 35.411-124.440 1.00 0.94 O ATOM 537 OD2 ASP A 48 68.682 33.811-124.082 1.00 0.84 O ATOM 0 H ASP A 48 69.297 37.132-123.950 1.00 0.22 H new ATOM 0 HA ASP A 48 69.220 36.705-126.729 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.050 35.823-124.792 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.607 34.996-126.233 1.00 0.28 H new ATOM 542 N LEU A 49 66.649 38.406-125.552 1.00 0.19 N ATOM 543 CA LEU A 49 65.550 39.305-125.979 1.00 0.19 C ATOM 544 C LEU A 49 66.136 40.351-126.923 1.00 0.18 C ATOM 545 O LEU A 49 65.508 40.756-127.879 1.00 0.19 O ATOM 546 CB LEU A 49 64.922 39.985-124.760 1.00 0.18 C ATOM 547 CG LEU A 49 63.999 38.996-124.044 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.301 39.699-122.881 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.945 38.475-125.027 1.00 0.89 C ATOM 0 H LEU A 49 66.753 38.294-124.544 1.00 0.19 H new ATOM 0 HA LEU A 49 64.772 38.735-126.486 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.702 40.329-124.080 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.359 40.865-125.071 1.00 0.18 H new ATOM 0 HG LEU A 49 64.589 38.161-123.665 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.644 38.994-122.371 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.048 40.071-122.180 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.713 40.534-123.261 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.288 37.771-124.517 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.357 39.311-125.406 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.440 37.973-125.858 1.00 0.89 H new ATOM 561 N LYS A 50 67.349 40.779-126.681 1.00 0.20 N ATOM 562 CA LYS A 50 67.964 41.775-127.598 1.00 0.21 C ATOM 563 C LYS A 50 68.289 41.066-128.912 1.00 0.23 C ATOM 564 O LYS A 50 67.819 41.438-129.965 1.00 0.24 O ATOM 565 CB LYS A 50 69.251 42.329-126.980 1.00 0.24 C ATOM 566 CG LYS A 50 68.968 42.828-125.561 1.00 0.36 C ATOM 567 CD LYS A 50 69.198 44.341-125.490 1.00 0.84 C ATOM 568 CE LYS A 50 70.675 44.621-125.216 1.00 1.09 C ATOM 569 NZ LYS A 50 71.516 43.718-126.052 1.00 1.84 N ATOM 0 H LYS A 50 67.931 40.484-125.897 1.00 0.20 H new ATOM 0 HA LYS A 50 67.277 42.604-127.770 1.00 0.21 H new ATOM 0 HB2 LYS A 50 70.018 41.555-126.957 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.638 43.144-127.592 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.941 42.593-125.281 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.617 42.318-124.850 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.896 44.810-126.427 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.582 44.776-124.703 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.906 45.662-125.441 1.00 1.09 H new ATOM 0 HE3 LYS A 50 70.896 44.466-124.160 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.520 43.954-125.916 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.352 42.731-125.770 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.264 43.838-127.054 1.00 1.84 H new ATOM 583 N ILE A 51 69.080 40.034-128.856 1.00 0.25 N ATOM 584 CA ILE A 51 69.404 39.310-130.115 1.00 0.27 C ATOM 585 C ILE A 51 68.092 39.154-130.878 1.00 0.26 C ATOM 586 O ILE A 51 67.919 39.659-131.984 1.00 0.25 O ATOM 587 CB ILE A 51 69.987 37.933-129.794 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.468 38.079-129.440 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.844 37.020-131.013 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.614 39.039-128.261 1.00 0.30 C ATOM 0 H ILE A 51 69.511 39.664-128.008 1.00 0.25 H new ATOM 0 HA ILE A 51 70.141 39.856-130.703 1.00 0.27 H new ATOM 0 HB ILE A 51 69.450 37.499-128.950 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.890 37.107-129.186 1.00 0.36 H new ATOM 0 HG13 ILE A 51 72.024 38.454-130.300 1.00 0.36 H new ATOM 0 HG21 ILE A 51 70.260 36.039-130.784 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.789 36.917-131.268 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.381 37.453-131.857 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.669 39.145-128.006 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.207 40.013-128.532 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.071 38.645-127.402 1.00 0.30 H new ATOM 602 N GLN A 52 67.137 38.495-130.282 1.00 0.26 N ATOM 603 CA GLN A 52 65.829 38.349-130.946 1.00 0.27 C ATOM 604 C GLN A 52 65.309 39.746-131.265 1.00 0.24 C ATOM 605 O GLN A 52 64.549 39.930-132.177 1.00 0.26 O ATOM 606 CB GLN A 52 64.859 37.633-130.005 1.00 0.32 C ATOM 607 CG GLN A 52 63.766 36.948-130.822 1.00 0.45 C ATOM 608 CD GLN A 52 64.304 35.635-131.393 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.867 34.832-130.674 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.158 35.380-132.665 1.00 0.48 N ATOM 0 H GLN A 52 67.214 38.055-129.365 1.00 0.26 H new ATOM 0 HA GLN A 52 65.923 37.764-131.861 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.394 36.897-129.405 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.415 38.347-129.311 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.896 36.755-130.195 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.438 37.601-131.630 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.686 36.053-133.269 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.516 34.508-133.055 1.00 0.48 H new ATOM 619 N GLU A 53 65.711 40.736-130.504 1.00 0.23 N ATOM 620 CA GLU A 53 65.229 42.118-130.787 1.00 0.23 C ATOM 621 C GLU A 53 65.845 42.600-132.095 1.00 0.20 C ATOM 622 O GLU A 53 65.222 43.296-132.863 1.00 0.21 O ATOM 623 CB GLU A 53 65.632 43.085-129.681 1.00 0.25 C ATOM 624 CG GLU A 53 65.150 44.487-130.063 1.00 0.28 C ATOM 625 CD GLU A 53 66.333 45.459-130.038 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.429 45.035-130.363 1.00 1.04 O ATOM 627 OE2 GLU A 53 66.122 46.611-129.695 1.00 1.09 O ATOM 0 H GLU A 53 66.344 40.646-129.709 1.00 0.23 H new ATOM 0 HA GLU A 53 64.141 42.092-130.850 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.193 42.779-128.732 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.714 43.079-129.548 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.700 44.470-131.056 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.378 44.819-129.369 1.00 0.28 H new ATOM 634 N ARG A 54 67.067 42.238-132.363 1.00 0.22 N ATOM 635 CA ARG A 54 67.705 42.675-133.630 1.00 0.22 C ATOM 636 C ARG A 54 67.009 41.970-134.782 1.00 0.20 C ATOM 637 O ARG A 54 66.855 42.501-135.866 1.00 0.21 O ATOM 638 CB ARG A 54 69.171 42.261-133.615 1.00 0.24 C ATOM 639 CG ARG A 54 69.953 43.190-132.691 1.00 0.27 C ATOM 640 CD ARG A 54 70.295 44.487-133.428 1.00 0.85 C ATOM 641 NE ARG A 54 71.737 44.817-133.224 1.00 1.55 N ATOM 642 CZ ARG A 54 72.296 44.659-132.054 1.00 2.09 C ATOM 643 NH1 ARG A 54 71.584 44.271-131.031 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.568 44.909-131.903 1.00 3.03 N ATOM 0 H ARG A 54 67.650 41.659-131.759 1.00 0.22 H new ATOM 0 HA ARG A 54 67.627 43.757-133.740 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.265 41.230-133.275 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.582 42.303-134.624 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.365 43.411-131.800 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.867 42.700-132.356 1.00 0.27 H new ATOM 0 HD2 ARG A 54 70.084 44.379-134.492 1.00 0.85 H new ATOM 0 HD3 ARG A 54 69.670 45.301-133.060 1.00 0.85 H new ATOM 0 HE ARG A 54 72.290 45.169-134.005 1.00 1.55 H new ATOM 0 HH11 ARG A 54 70.587 44.090-131.143 1.00 2.40 H new ATOM 0 HH12 ARG A 54 72.025 44.149-130.119 1.00 2.40 H new ATOM 0 HH21 ARG A 54 74.123 45.227-132.697 1.00 3.03 H new ATOM 0 HH22 ARG A 54 74.007 44.786-130.991 1.00 3.03 H new ATOM 658 N ASP A 55 66.554 40.783-134.526 1.00 0.20 N ATOM 659 CA ASP A 55 65.827 40.021-135.583 1.00 0.21 C ATOM 660 C ASP A 55 64.354 40.453-135.609 1.00 0.21 C ATOM 661 O ASP A 55 63.739 40.575-136.656 1.00 0.20 O ATOM 662 CB ASP A 55 65.913 38.523-135.283 1.00 0.25 C ATOM 663 CG ASP A 55 67.363 38.055-135.425 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.153 38.800-135.982 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.659 36.961-134.974 1.00 0.94 O ATOM 0 H ASP A 55 66.651 40.302-133.632 1.00 0.20 H new ATOM 0 HA ASP A 55 66.281 40.225-136.552 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.552 38.322-134.274 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.272 37.967-135.967 1.00 0.25 H new ATOM 670 N GLU A 56 63.794 40.731-134.465 1.00 0.27 N ATOM 671 CA GLU A 56 62.381 41.179-134.413 1.00 0.32 C ATOM 672 C GLU A 56 62.318 42.579-134.984 1.00 0.30 C ATOM 673 O GLU A 56 61.540 42.865-135.862 1.00 0.31 O ATOM 674 CB GLU A 56 61.889 41.189-132.964 1.00 0.39 C ATOM 675 CG GLU A 56 61.354 39.803-132.596 1.00 0.44 C ATOM 676 CD GLU A 56 60.692 39.861-131.218 1.00 0.89 C ATOM 677 OE1 GLU A 56 61.415 39.970-130.241 1.00 1.72 O ATOM 678 OE2 GLU A 56 59.475 39.794-131.163 1.00 1.39 O ATOM 0 H GLU A 56 64.260 40.666-133.560 1.00 0.27 H new ATOM 0 HA GLU A 56 61.748 40.503-134.987 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.703 41.466-132.294 1.00 0.39 H new ATOM 0 HB3 GLU A 56 61.106 41.937-132.840 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.634 39.469-133.343 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.167 39.077-132.590 1.00 0.44 H new ATOM 685 N LEU A 57 63.164 43.447-134.520 1.00 0.30 N ATOM 686 CA LEU A 57 63.172 44.814-135.082 1.00 0.32 C ATOM 687 C LEU A 57 63.450 44.672-136.577 1.00 0.28 C ATOM 688 O LEU A 57 62.751 45.216-137.409 1.00 0.29 O ATOM 689 CB LEU A 57 64.273 45.649-134.423 1.00 0.36 C ATOM 690 CG LEU A 57 63.737 46.278-133.137 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.906 46.722-132.258 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.873 47.493-133.485 1.00 1.22 C ATOM 0 H LEU A 57 63.845 43.269-133.781 1.00 0.30 H new ATOM 0 HA LEU A 57 62.221 45.316-134.903 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.136 45.021-134.201 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.612 46.427-135.107 1.00 0.36 H new ATOM 0 HG LEU A 57 63.136 45.545-132.599 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.522 47.170-131.342 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.523 45.858-132.009 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.508 47.455-132.796 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.490 47.942-132.568 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.475 48.225-134.024 1.00 1.22 H new ATOM 0 HD23 LEU A 57 62.038 47.178-134.111 1.00 1.22 H new ATOM 704 N ALA A 58 64.450 43.896-136.926 1.00 0.25 N ATOM 705 CA ALA A 58 64.741 43.679-138.367 1.00 0.24 C ATOM 706 C ALA A 58 63.462 43.159-139.019 1.00 0.21 C ATOM 707 O ALA A 58 63.233 43.319-140.202 1.00 0.21 O ATOM 708 CB ALA A 58 65.859 42.647-138.522 1.00 0.24 C ATOM 0 H ALA A 58 65.069 43.410-136.277 1.00 0.25 H new ATOM 0 HA ALA A 58 65.064 44.607-138.838 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.067 42.493-139.581 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.759 43.008-138.024 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.549 41.704-138.072 1.00 0.24 H new ATOM 714 N TRP A 59 62.603 42.567-138.228 1.00 0.19 N ATOM 715 CA TRP A 59 61.318 42.074-138.789 1.00 0.18 C ATOM 716 C TRP A 59 60.330 43.244-138.889 1.00 0.20 C ATOM 717 O TRP A 59 59.783 43.512-139.941 1.00 0.30 O ATOM 718 CB TRP A 59 60.716 40.973-137.917 1.00 0.19 C ATOM 719 CG TRP A 59 59.471 40.497-138.589 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.422 39.558-139.561 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.102 40.937-138.372 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.113 39.405-139.968 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.257 40.229-139.259 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.520 41.874-137.501 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.879 40.447-139.280 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.134 42.093-137.519 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.316 41.381-138.406 1.00 0.39 C ATOM 0 H TRP A 59 62.737 42.407-137.230 1.00 0.19 H new ATOM 0 HA TRP A 59 61.512 41.656-139.777 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.423 40.152-137.794 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.492 41.353-136.920 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.269 39.016-139.954 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.813 38.763-140.702 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.143 42.428-136.814 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.252 39.898-139.967 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.695 42.814-136.845 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.250 41.554-138.414 1.00 0.39 H new ATOM 738 N LYS A 60 60.103 43.950-137.811 1.00 0.27 N ATOM 739 CA LYS A 60 59.157 45.098-137.888 1.00 0.30 C ATOM 740 C LYS A 60 59.485 45.842-139.183 1.00 0.29 C ATOM 741 O LYS A 60 58.622 46.339-139.883 1.00 0.31 O ATOM 742 CB LYS A 60 59.330 46.019-136.671 1.00 0.38 C ATOM 743 CG LYS A 60 60.468 47.014-136.912 1.00 0.42 C ATOM 744 CD LYS A 60 59.892 48.315-137.473 1.00 1.08 C ATOM 745 CE LYS A 60 59.582 49.274-136.323 1.00 1.53 C ATOM 746 NZ LYS A 60 59.117 50.578-136.874 1.00 2.27 N ATOM 0 H LYS A 60 60.524 43.784-136.897 1.00 0.27 H new ATOM 0 HA LYS A 60 58.121 44.758-137.885 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.402 46.558-136.480 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.541 45.423-135.783 1.00 0.38 H new ATOM 0 HG2 LYS A 60 60.999 47.210-135.980 1.00 0.42 H new ATOM 0 HG3 LYS A 60 61.193 46.593-137.609 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.603 48.773-138.161 1.00 1.08 H new ATOM 0 HD3 LYS A 60 58.986 48.108-138.042 1.00 1.08 H new ATOM 0 HE2 LYS A 60 58.816 48.847-135.676 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.471 49.423-135.710 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 59.412 51.348-136.240 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.534 50.725-137.815 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.080 50.572-136.951 1.00 2.27 H new ATOM 760 N LYS A 61 60.746 45.866-139.517 1.00 0.28 N ATOM 761 CA LYS A 61 61.167 46.522-140.782 1.00 0.30 C ATOM 762 C LYS A 61 60.726 45.633-141.943 1.00 0.27 C ATOM 763 O LYS A 61 60.106 46.085-142.874 1.00 0.35 O ATOM 764 CB LYS A 61 62.685 46.693-140.820 1.00 0.35 C ATOM 765 CG LYS A 61 63.166 47.359-139.528 1.00 0.40 C ATOM 766 CD LYS A 61 64.252 48.384-139.858 1.00 0.77 C ATOM 767 CE LYS A 61 64.535 49.244-138.624 1.00 1.42 C ATOM 768 NZ LYS A 61 66.006 49.296-138.383 1.00 2.43 N ATOM 0 H LYS A 61 61.502 45.459-138.967 1.00 0.28 H new ATOM 0 HA LYS A 61 60.711 47.509-140.854 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.166 45.722-140.940 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.970 47.299-141.680 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.331 47.847-139.025 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.556 46.607-138.842 1.00 0.40 H new ATOM 0 HD2 LYS A 61 65.162 47.876-140.176 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.932 49.014-140.688 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.144 50.251-138.771 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.027 48.829-137.753 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.200 49.880-137.545 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.366 48.333-138.225 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.479 49.711-139.211 1.00 2.43 H new ATOM 782 N LEU A 62 61.039 44.365-141.894 1.00 0.24 N ATOM 783 CA LEU A 62 60.622 43.461-143.002 1.00 0.24 C ATOM 784 C LEU A 62 59.167 43.732-143.337 1.00 0.24 C ATOM 785 O LEU A 62 58.825 44.127-144.434 1.00 0.26 O ATOM 786 CB LEU A 62 60.740 42.005-142.556 1.00 0.24 C ATOM 787 CG LEU A 62 62.150 41.487-142.823 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.504 40.432-141.775 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.201 40.857-144.218 1.00 0.41 C ATOM 0 H LEU A 62 61.562 43.920-141.140 1.00 0.24 H new ATOM 0 HA LEU A 62 61.261 43.639-143.867 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.509 41.922-141.494 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.012 41.393-143.089 1.00 0.24 H new ATOM 0 HG LEU A 62 62.862 42.310-142.769 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.511 40.058-141.961 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.460 40.877-140.781 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.794 39.607-141.835 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.207 40.486-144.413 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.492 40.030-144.270 1.00 0.41 H new ATOM 0 HD23 LEU A 62 61.940 41.606-144.965 1.00 0.41 H new ATOM 801 N LYS A 63 58.304 43.496-142.395 1.00 0.24 N ATOM 802 CA LYS A 63 56.854 43.710-142.646 1.00 0.26 C ATOM 803 C LYS A 63 56.617 45.154-143.104 1.00 0.29 C ATOM 804 O LYS A 63 55.813 45.410-143.977 1.00 0.30 O ATOM 805 CB LYS A 63 56.059 43.434-141.367 1.00 0.34 C ATOM 806 CG LYS A 63 56.599 44.296-140.225 1.00 0.46 C ATOM 807 CD LYS A 63 55.523 44.443-139.148 1.00 0.41 C ATOM 808 CE LYS A 63 54.773 45.762-139.350 1.00 0.58 C ATOM 809 NZ LYS A 63 54.160 45.781-140.708 1.00 1.20 N ATOM 0 H LYS A 63 58.539 43.163-141.460 1.00 0.24 H new ATOM 0 HA LYS A 63 56.521 43.026-143.427 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.003 43.650-141.530 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.131 42.379-141.104 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.493 43.839-139.801 1.00 0.46 H new ATOM 0 HG3 LYS A 63 56.890 45.277-140.601 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.827 43.606-139.198 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.979 44.420-138.158 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.001 45.874-138.589 1.00 0.58 H new ATOM 0 HE3 LYS A 63 55.457 46.603-139.236 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 53.489 46.573-140.775 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 54.905 45.898-141.424 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.657 44.886-140.875 1.00 1.20 H new ATOM 823 N LEU A 64 57.314 46.099-142.528 1.00 0.33 N ATOM 824 CA LEU A 64 57.135 47.524-142.933 1.00 0.43 C ATOM 825 C LEU A 64 57.508 47.702-144.408 1.00 0.52 C ATOM 826 O LEU A 64 56.777 48.279-145.187 1.00 0.75 O ATOM 827 CB LEU A 64 58.059 48.385-142.064 1.00 0.38 C ATOM 828 CG LEU A 64 57.339 48.781-140.774 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.260 49.656-139.923 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.071 49.566-141.118 1.00 1.23 C ATOM 0 H LEU A 64 58.002 45.944-141.791 1.00 0.33 H new ATOM 0 HA LEU A 64 56.095 47.822-142.799 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.969 47.834-141.828 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.360 49.278-142.612 1.00 0.38 H new ATOM 0 HG LEU A 64 57.073 47.882-140.217 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.747 49.938-139.004 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.165 49.100-139.677 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.526 50.554-140.480 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.557 49.848-140.199 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.339 50.464-141.675 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.412 48.945-141.726 1.00 1.23 H new ATOM 842 N ASP A 65 58.646 47.202-144.780 1.00 0.45 N ATOM 843 CA ASP A 65 59.099 47.322-146.191 1.00 0.60 C ATOM 844 C ASP A 65 58.358 46.299-147.049 1.00 0.96 C ATOM 845 O ASP A 65 58.546 46.230-148.248 1.00 0.98 O ATOM 846 CB ASP A 65 60.605 47.059-146.268 1.00 0.53 C ATOM 847 CG ASP A 65 61.357 48.183-145.551 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.743 49.204-145.285 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.532 48.004-145.280 1.00 1.14 O ATOM 0 H ASP A 65 59.291 46.709-144.162 1.00 0.45 H new ATOM 0 HA ASP A 65 58.888 48.326-146.558 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.841 46.099-145.809 1.00 0.53 H new ATOM 0 HB3 ASP A 65 60.922 47.001-147.309 1.00 0.53 H new ATOM 854 N GLY A 66 57.522 45.495-146.449 1.00 1.30 N ATOM 855 CA GLY A 66 56.785 44.476-147.245 1.00 1.72 C ATOM 856 C GLY A 66 57.784 43.448-147.769 1.00 0.91 C ATOM 857 O GLY A 66 57.976 43.308-148.960 1.00 1.14 O ATOM 0 H GLY A 66 57.319 45.500-145.449 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.030 43.989-146.628 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.261 44.951-148.075 1.00 1.72 H new ATOM 861 N LEU A 67 58.432 42.733-146.890 1.00 0.37 N ATOM 862 CA LEU A 67 59.423 41.729-147.353 1.00 1.03 C ATOM 863 C LEU A 67 58.928 40.318-147.049 1.00 0.91 C ATOM 864 O LEU A 67 59.062 39.423-147.861 1.00 1.09 O ATOM 865 CB LEU A 67 60.760 41.969-146.653 1.00 1.69 C ATOM 866 CG LEU A 67 61.556 43.021-147.429 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.829 43.375-146.660 1.00 2.52 C ATOM 868 CD2 LEU A 67 61.931 42.461-148.803 1.00 2.68 C ATOM 0 H LEU A 67 58.317 42.802-145.879 1.00 0.37 H new ATOM 0 HA LEU A 67 59.553 41.831-148.430 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.593 42.305-145.630 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.325 41.039-146.595 1.00 1.69 H new ATOM 0 HG LEU A 67 60.948 43.917-147.551 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.393 44.124-147.215 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.564 43.773-145.681 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.439 42.480-146.535 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.498 43.208-149.358 1.00 2.68 H new ATOM 0 HD22 LEU A 67 62.538 41.564-148.677 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.024 42.211-149.354 1.00 2.68 H new ATOM 880 N ASP A 68 58.315 40.105-145.918 1.00 0.69 N ATOM 881 CA ASP A 68 57.768 38.759-145.608 1.00 0.59 C ATOM 882 C ASP A 68 56.245 38.822-145.588 1.00 0.59 C ATOM 883 O ASP A 68 55.674 39.273-144.615 1.00 0.59 O ATOM 884 CB ASP A 68 58.249 38.333-144.222 1.00 0.53 C ATOM 885 CG ASP A 68 58.229 36.807-144.131 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.514 36.170-145.132 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.930 36.302-143.062 1.00 0.97 O ATOM 0 H ASP A 68 58.170 40.809-145.194 1.00 0.69 H new ATOM 0 HA ASP A 68 58.104 38.049-146.364 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.257 38.707-144.043 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.608 38.764-143.453 1.00 0.53 H new ATOM 892 N GLU A 69 55.548 38.352-146.584 1.00 0.63 N ATOM 893 CA GLU A 69 54.068 38.390-146.484 1.00 0.69 C ATOM 894 C GLU A 69 53.658 37.112-145.765 1.00 0.71 C ATOM 895 O GLU A 69 52.789 37.100-144.916 1.00 0.77 O ATOM 896 CB GLU A 69 53.449 38.425-147.884 1.00 0.73 C ATOM 897 CG GLU A 69 54.031 37.290-148.730 1.00 0.75 C ATOM 898 CD GLU A 69 54.357 37.813-150.130 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.443 37.911-150.932 1.00 2.06 O ATOM 900 OE2 GLU A 69 55.516 38.104-150.377 1.00 1.82 O ATOM 0 H GLU A 69 55.929 37.953-147.442 1.00 0.63 H new ATOM 0 HA GLU A 69 53.727 39.276-145.948 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.366 38.324-147.817 1.00 0.73 H new ATOM 0 HB3 GLU A 69 53.650 39.386-148.358 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.931 36.896-148.259 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.318 36.468-148.794 1.00 0.75 H new ATOM 907 N ASP A 70 54.321 36.036-146.093 1.00 0.72 N ATOM 908 CA ASP A 70 54.019 34.744-145.422 1.00 0.78 C ATOM 909 C ASP A 70 54.153 34.978-143.920 1.00 0.69 C ATOM 910 O ASP A 70 53.627 34.248-143.104 1.00 0.84 O ATOM 911 CB ASP A 70 55.020 33.679-145.873 1.00 0.83 C ATOM 912 CG ASP A 70 55.062 33.632-147.402 1.00 0.95 C ATOM 913 OD1 ASP A 70 54.096 34.055-148.015 1.00 1.43 O ATOM 914 OD2 ASP A 70 56.062 33.177-147.934 1.00 1.34 O ATOM 0 H ASP A 70 55.058 35.998-146.797 1.00 0.72 H new ATOM 0 HA ASP A 70 53.017 34.398-145.674 1.00 0.78 H new ATOM 0 HB2 ASP A 70 56.010 33.905-145.478 1.00 0.83 H new ATOM 0 HB3 ASP A 70 54.734 32.705-145.476 1.00 0.83 H new ATOM 919 N GLY A 71 54.860 36.016-143.568 1.00 0.50 N ATOM 920 CA GLY A 71 55.054 36.352-142.134 1.00 0.43 C ATOM 921 C GLY A 71 55.891 35.268-141.459 1.00 0.34 C ATOM 922 O GLY A 71 56.011 35.231-140.251 1.00 0.31 O ATOM 0 H GLY A 71 55.316 36.652-144.222 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.550 37.318-142.041 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.088 36.441-141.638 1.00 0.43 H new ATOM 926 N GLU A 72 56.478 34.381-142.219 1.00 0.36 N ATOM 927 CA GLU A 72 57.299 33.317-141.585 1.00 0.34 C ATOM 928 C GLU A 72 58.385 33.984-140.743 1.00 0.30 C ATOM 929 O GLU A 72 58.563 33.675-139.585 1.00 0.30 O ATOM 930 CB GLU A 72 57.947 32.452-142.668 1.00 0.40 C ATOM 931 CG GLU A 72 58.535 31.192-142.030 1.00 1.23 C ATOM 932 CD GLU A 72 59.339 30.417-143.075 1.00 1.97 C ATOM 933 OE1 GLU A 72 60.123 31.041-143.773 1.00 2.64 O ATOM 934 OE2 GLU A 72 59.159 29.214-143.161 1.00 2.68 O ATOM 0 H GLU A 72 56.424 34.349-143.237 1.00 0.36 H new ATOM 0 HA GLU A 72 56.672 32.684-140.957 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.208 32.180-143.422 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.730 33.014-143.177 1.00 0.40 H new ATOM 0 HG2 GLU A 72 59.175 31.462-141.190 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.736 30.566-141.633 1.00 1.23 H new ATOM 941 N LYS A 73 59.111 34.902-141.316 1.00 0.31 N ATOM 942 CA LYS A 73 60.183 35.585-140.540 1.00 0.33 C ATOM 943 C LYS A 73 59.615 35.997-139.181 1.00 0.29 C ATOM 944 O LYS A 73 60.275 35.903-138.157 1.00 0.29 O ATOM 945 CB LYS A 73 60.660 36.822-141.308 1.00 0.38 C ATOM 946 CG LYS A 73 61.053 36.423-142.732 1.00 0.55 C ATOM 947 CD LYS A 73 61.809 37.570-143.401 1.00 1.07 C ATOM 948 CE LYS A 73 63.308 37.412-143.136 1.00 1.38 C ATOM 949 NZ LYS A 73 63.755 36.066-143.594 1.00 2.36 N ATOM 0 H LYS A 73 59.010 35.208-142.284 1.00 0.31 H new ATOM 0 HA LYS A 73 61.030 34.914-140.395 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.870 37.573-141.335 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.511 37.273-140.798 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.676 35.529-142.710 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.162 36.177-143.310 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.616 37.571-144.474 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.459 38.527-143.013 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.865 38.189-143.660 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.515 37.533-142.073 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.707 36.138-144.006 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.776 35.413-142.785 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.094 35.706-144.312 1.00 2.36 H new ATOM 963 N GLU A 74 58.367 36.370-139.152 1.00 0.28 N ATOM 964 CA GLU A 74 57.726 36.707-137.857 1.00 0.28 C ATOM 965 C GLU A 74 57.477 35.379-137.157 1.00 0.26 C ATOM 966 O GLU A 74 57.563 35.253-135.963 1.00 0.27 O ATOM 967 CB GLU A 74 56.395 37.418-138.104 1.00 0.31 C ATOM 968 CG GLU A 74 56.050 38.277-136.890 1.00 0.37 C ATOM 969 CD GLU A 74 54.532 38.326-136.710 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.837 37.797-137.563 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.089 38.889-135.722 1.00 1.14 O ATOM 0 H GLU A 74 57.765 36.455-139.971 1.00 0.28 H new ATOM 0 HA GLU A 74 58.353 37.368-137.259 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.462 38.040-138.997 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.607 36.687-138.283 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.519 37.866-135.996 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.443 39.285-137.022 1.00 0.37 H new ATOM 978 N ALA A 75 57.170 34.391-137.940 1.00 0.25 N ATOM 979 CA ALA A 75 56.923 33.045-137.365 1.00 0.27 C ATOM 980 C ALA A 75 58.209 32.611-136.683 1.00 0.26 C ATOM 981 O ALA A 75 58.259 32.468-135.483 1.00 0.27 O ATOM 982 CB ALA A 75 56.543 32.053-138.465 1.00 0.30 C ATOM 0 H ALA A 75 57.079 34.456-138.954 1.00 0.25 H new ATOM 0 HA ALA A 75 56.097 33.075-136.654 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.366 31.072-138.025 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.637 32.395-138.966 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.355 31.984-139.189 1.00 0.30 H new ATOM 988 N ARG A 76 59.251 32.383-137.426 1.00 0.28 N ATOM 989 CA ARG A 76 60.508 31.941-136.777 1.00 0.31 C ATOM 990 C ARG A 76 60.743 32.811-135.552 1.00 0.28 C ATOM 991 O ARG A 76 60.958 32.318-134.462 1.00 0.30 O ATOM 992 CB ARG A 76 61.676 32.087-137.755 1.00 0.35 C ATOM 993 CG ARG A 76 62.983 31.730-137.045 1.00 0.66 C ATOM 994 CD ARG A 76 64.111 31.635-138.074 1.00 1.00 C ATOM 995 NE ARG A 76 64.897 30.385-137.848 1.00 1.51 N ATOM 996 CZ ARG A 76 65.192 29.995-136.636 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.854 30.727-135.609 1.00 2.34 N ATOM 998 NH2 ARG A 76 65.843 28.880-136.452 1.00 3.14 N ATOM 0 H ARG A 76 59.287 32.482-138.441 1.00 0.28 H new ATOM 0 HA ARG A 76 60.433 30.894-136.483 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.527 31.435-138.616 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.722 33.108-138.133 1.00 0.35 H new ATOM 0 HG2 ARG A 76 63.221 32.486-136.297 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.876 30.782-136.518 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.697 31.638-139.082 1.00 1.00 H new ATOM 0 HD3 ARG A 76 64.763 32.505-137.994 1.00 1.00 H new ATOM 0 HE ARG A 76 65.206 29.831-138.647 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.358 31.607-135.751 1.00 2.34 H new ATOM 0 HH12 ARG A 76 65.086 30.419-134.665 1.00 2.34 H new ATOM 0 HH21 ARG A 76 66.121 28.314-137.253 1.00 3.14 H new ATOM 0 HH22 ARG A 76 66.074 28.574-135.507 1.00 3.14 H new ATOM 1012 N LEU A 77 60.701 34.098-135.715 1.00 0.30 N ATOM 1013 CA LEU A 77 60.921 34.983-134.539 1.00 0.31 C ATOM 1014 C LEU A 77 59.952 34.583-133.424 1.00 0.29 C ATOM 1015 O LEU A 77 60.352 34.220-132.336 1.00 0.30 O ATOM 1016 CB LEU A 77 60.678 36.436-134.945 1.00 0.35 C ATOM 1017 CG LEU A 77 61.951 36.996-135.578 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.602 38.187-136.467 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.913 37.447-134.478 1.00 0.38 C ATOM 0 H LEU A 77 60.526 34.575-136.600 1.00 0.30 H new ATOM 0 HA LEU A 77 61.946 34.880-134.182 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.849 36.496-135.650 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.399 37.029-134.074 1.00 0.35 H new ATOM 0 HG LEU A 77 62.424 36.221-136.181 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.512 38.584-136.917 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.919 37.866-137.253 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.126 38.962-135.866 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.821 37.846-134.930 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.438 38.220-133.874 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.167 36.596-133.845 1.00 0.38 H new ATOM 1031 N ILE A 78 58.682 34.647-133.694 1.00 0.29 N ATOM 1032 CA ILE A 78 57.660 34.277-132.674 1.00 0.32 C ATOM 1033 C ILE A 78 58.023 32.939-132.041 1.00 0.30 C ATOM 1034 O ILE A 78 58.038 32.794-130.840 1.00 0.32 O ATOM 1035 CB ILE A 78 56.300 34.159-133.347 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.852 35.547-133.787 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.285 33.581-132.358 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.875 35.415-134.947 1.00 0.37 C ATOM 0 H ILE A 78 58.300 34.944-134.592 1.00 0.29 H new ATOM 0 HA ILE A 78 57.627 35.045-131.901 1.00 0.32 H new ATOM 0 HB ILE A 78 56.369 33.499-134.211 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.379 36.070-132.956 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.714 36.142-134.088 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.312 33.498-132.842 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.615 32.594-132.033 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.204 34.239-131.493 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.552 36.406-135.265 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.364 34.909-135.779 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.008 34.836-134.629 1.00 0.37 H new ATOM 1050 N ARG A 79 58.332 31.968-132.846 1.00 0.29 N ATOM 1051 CA ARG A 79 58.717 30.641-132.281 1.00 0.32 C ATOM 1052 C ARG A 79 59.985 30.825-131.444 1.00 0.26 C ATOM 1053 O ARG A 79 60.224 30.107-130.493 1.00 0.26 O ATOM 1054 CB ARG A 79 58.983 29.651-133.416 1.00 0.38 C ATOM 1055 CG ARG A 79 59.981 28.590-132.947 1.00 0.39 C ATOM 1056 CD ARG A 79 60.073 27.478-133.994 1.00 0.39 C ATOM 1057 NE ARG A 79 61.397 26.802-133.885 1.00 1.50 N ATOM 1058 CZ ARG A 79 61.590 25.649-134.463 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.624 25.086-135.135 1.00 2.28 N ATOM 1060 NH2 ARG A 79 62.750 25.057-134.367 1.00 3.27 N ATOM 0 H ARG A 79 58.336 32.029-133.864 1.00 0.29 H new ATOM 0 HA ARG A 79 57.911 30.249-131.660 1.00 0.32 H new ATOM 0 HB2 ARG A 79 58.051 29.177-133.725 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.377 30.176-134.286 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.961 29.041-132.792 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.666 28.177-131.989 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.270 26.756-133.845 1.00 0.39 H new ATOM 0 HD3 ARG A 79 59.946 27.893-134.994 1.00 0.39 H new ATOM 0 HE ARG A 79 62.152 27.241-133.358 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.717 25.548-135.209 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.775 24.184-135.587 1.00 2.28 H new ATOM 0 HH21 ARG A 79 63.505 25.496-133.840 1.00 3.27 H new ATOM 0 HH22 ARG A 79 62.901 24.155-134.819 1.00 3.27 H new ATOM 1074 N ASN A 80 60.790 31.800-131.779 1.00 0.23 N ATOM 1075 CA ASN A 80 62.029 32.047-130.988 1.00 0.21 C ATOM 1076 C ASN A 80 61.647 32.803-129.719 1.00 0.21 C ATOM 1077 O ASN A 80 62.304 32.702-128.701 1.00 0.22 O ATOM 1078 CB ASN A 80 63.014 32.877-131.809 1.00 0.23 C ATOM 1079 CG ASN A 80 63.208 32.232-133.183 1.00 0.30 C ATOM 1080 OD1 ASN A 80 64.019 32.785-134.040 1.00 1.06 O flip ATOM 1081 ND2 ASN A 80 62.613 31.215-133.477 1.00 1.15 N flip ATOM 0 H ASN A 80 60.642 32.434-132.565 1.00 0.23 H new ATOM 0 HA ASN A 80 62.503 31.100-130.731 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.641 33.895-131.923 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.970 32.944-131.289 1.00 0.23 H new ATOM 0 HD21 ASN A 80 61.978 30.783-132.805 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.748 30.793-134.396 1.00 1.15 H new ATOM 1088 N LEU A 81 60.544 33.499-129.750 1.00 0.23 N ATOM 1089 CA LEU A 81 60.082 34.193-128.521 1.00 0.28 C ATOM 1090 C LEU A 81 59.465 33.106-127.664 1.00 0.30 C ATOM 1091 O LEU A 81 59.829 32.892-126.526 1.00 0.31 O ATOM 1092 CB LEU A 81 59.019 35.244-128.866 1.00 0.35 C ATOM 1093 CG LEU A 81 59.688 36.553-129.292 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.673 37.008-128.211 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.435 36.337-130.610 1.00 1.26 C ATOM 0 H LEU A 81 59.948 33.615-130.569 1.00 0.23 H new ATOM 0 HA LEU A 81 60.899 34.710-128.017 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.380 34.876-129.669 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.377 35.419-128.003 1.00 0.35 H new ATOM 0 HG LEU A 81 58.926 37.321-129.427 1.00 0.44 H new ATOM 0 HD11 LEU A 81 61.146 37.940-128.519 1.00 1.28 H new ATOM 0 HD12 LEU A 81 60.138 37.165-127.274 1.00 1.28 H new ATOM 0 HD13 LEU A 81 61.436 36.243-128.069 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.912 37.268-130.915 1.00 1.26 H new ATOM 0 HD22 LEU A 81 61.195 35.567-130.476 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.731 36.021-131.380 1.00 1.26 H new ATOM 1107 N ASN A 82 58.557 32.387-128.248 1.00 0.35 N ATOM 1108 CA ASN A 82 57.911 31.261-127.549 1.00 0.42 C ATOM 1109 C ASN A 82 58.995 30.405-126.911 1.00 0.37 C ATOM 1110 O ASN A 82 59.048 30.252-125.710 1.00 0.38 O ATOM 1111 CB ASN A 82 57.126 30.451-128.589 1.00 0.51 C ATOM 1112 CG ASN A 82 55.716 31.026-128.730 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.548 32.213-128.932 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.687 30.230-128.630 1.00 0.98 N ATOM 0 H ASN A 82 58.231 32.539-129.202 1.00 0.35 H new ATOM 0 HA ASN A 82 57.232 31.608-126.770 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.639 30.480-129.550 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.074 29.405-128.287 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.742 30.604-128.721 1.00 0.98 H new ATOM 0 HD22 ASN A 82 54.827 29.234-128.461 1.00 0.98 H new ATOM 1121 N VAL A 83 59.874 29.859-127.697 1.00 0.35 N ATOM 1122 CA VAL A 83 60.963 29.032-127.117 1.00 0.36 C ATOM 1123 C VAL A 83 61.640 29.830-126.003 1.00 0.32 C ATOM 1124 O VAL A 83 61.788 29.367-124.898 1.00 0.35 O ATOM 1125 CB VAL A 83 61.987 28.704-128.205 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.044 27.751-127.646 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.279 28.041-129.389 1.00 0.44 C ATOM 0 H VAL A 83 59.886 29.949-128.713 1.00 0.35 H new ATOM 0 HA VAL A 83 60.556 28.104-126.717 1.00 0.36 H new ATOM 0 HB VAL A 83 62.469 29.624-128.536 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.772 27.519-128.423 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.550 28.223-126.804 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.564 26.831-127.312 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.008 27.807-130.165 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.796 27.122-129.056 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.528 28.721-129.791 1.00 0.44 H new ATOM 1137 N ILE A 84 62.057 31.029-126.299 1.00 0.27 N ATOM 1138 CA ILE A 84 62.731 31.850-125.258 1.00 0.30 C ATOM 1139 C ILE A 84 61.925 31.786-123.961 1.00 0.31 C ATOM 1140 O ILE A 84 62.441 31.464-122.904 1.00 0.37 O ATOM 1141 CB ILE A 84 62.828 33.296-125.717 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.986 33.424-126.704 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.088 34.195-124.505 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.763 34.647-127.583 1.00 0.37 C ATOM 0 H ILE A 84 61.961 31.473-127.212 1.00 0.27 H new ATOM 0 HA ILE A 84 63.734 31.459-125.090 1.00 0.30 H new ATOM 0 HB ILE A 84 61.898 33.598-126.198 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.930 33.515-126.166 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.056 32.527-127.319 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.158 35.233-124.830 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.269 34.092-123.793 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.022 33.901-124.027 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.588 34.743-128.289 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.827 34.536-128.130 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.715 35.539-126.959 1.00 0.37 H new ATOM 1156 N LEU A 85 60.660 32.097-124.029 1.00 0.35 N ATOM 1157 CA LEU A 85 59.823 32.064-122.796 1.00 0.42 C ATOM 1158 C LEU A 85 59.734 30.629-122.277 1.00 0.42 C ATOM 1159 O LEU A 85 60.112 30.335-121.162 1.00 0.47 O ATOM 1160 CB LEU A 85 58.420 32.579-123.125 1.00 0.54 C ATOM 1161 CG LEU A 85 58.385 34.100-122.985 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.693 34.485-121.539 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.430 34.726-123.910 1.00 0.61 C ATOM 0 H LEU A 85 60.171 32.372-124.881 1.00 0.35 H new ATOM 0 HA LEU A 85 60.273 32.696-122.031 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.145 32.291-124.140 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.689 32.125-122.456 1.00 0.54 H new ATOM 0 HG LEU A 85 57.395 34.465-123.258 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.668 35.570-121.438 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.948 34.042-120.878 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.683 34.118-121.268 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.403 35.811-123.808 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.421 34.361-123.640 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.212 34.453-124.943 1.00 0.61 H new ATOM 1175 N ALA A 86 59.240 29.738-123.083 1.00 0.47 N ATOM 1176 CA ALA A 86 59.124 28.318-122.656 1.00 0.58 C ATOM 1177 C ALA A 86 60.479 27.828-122.134 1.00 0.59 C ATOM 1178 O ALA A 86 60.571 26.819-121.462 1.00 0.73 O ATOM 1179 CB ALA A 86 58.713 27.473-123.862 1.00 0.64 C ATOM 0 H ALA A 86 58.908 29.932-124.028 1.00 0.47 H new ATOM 0 HA ALA A 86 58.379 28.230-121.866 1.00 0.58 H new ATOM 0 HB1 ALA A 86 58.625 26.429-123.562 1.00 0.64 H new ATOM 0 HB2 ALA A 86 57.754 27.824-124.242 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.468 27.563-124.643 1.00 0.64 H new ATOM 1185 N LYS A 87 61.530 28.529-122.455 1.00 0.50 N ATOM 1186 CA LYS A 87 62.889 28.109-122.005 1.00 0.60 C ATOM 1187 C LYS A 87 63.165 28.666-120.619 1.00 0.58 C ATOM 1188 O LYS A 87 63.704 27.994-119.763 1.00 0.71 O ATOM 1189 CB LYS A 87 63.927 28.665-122.970 1.00 0.61 C ATOM 1190 CG LYS A 87 65.188 27.799-122.923 1.00 0.82 C ATOM 1191 CD LYS A 87 66.338 28.532-123.616 1.00 0.99 C ATOM 1192 CE LYS A 87 67.671 28.031-123.059 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.493 26.657-122.507 1.00 2.02 N ATOM 0 H LYS A 87 61.507 29.382-123.014 1.00 0.50 H new ATOM 0 HA LYS A 87 62.940 27.020-121.980 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.524 28.683-123.983 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.170 29.694-122.705 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.453 27.580-121.889 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.004 26.843-123.414 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.295 28.363-124.692 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.246 29.607-123.458 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.426 28.024-123.845 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.028 28.704-122.280 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.414 26.174-122.474 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.099 26.717-121.546 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 66.842 26.120-123.115 1.00 2.02 H new ATOM 1207 N TYR A 88 62.786 29.885-120.384 1.00 0.45 N ATOM 1208 CA TYR A 88 63.011 30.478-119.041 1.00 0.47 C ATOM 1209 C TYR A 88 61.895 29.995-118.120 1.00 0.54 C ATOM 1210 O TYR A 88 61.974 30.077-116.910 1.00 0.58 O ATOM 1211 CB TYR A 88 62.969 32.007-119.155 1.00 0.44 C ATOM 1212 CG TYR A 88 64.344 32.505-119.525 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.280 32.796-118.525 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.687 32.664-120.872 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.558 33.247-118.874 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.965 33.112-121.222 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.901 33.405-120.224 1.00 0.61 C ATOM 1218 OH TYR A 88 68.160 33.847-120.570 1.00 0.73 O ATOM 0 H TYR A 88 62.331 30.497-121.061 1.00 0.45 H new ATOM 0 HA TYR A 88 63.980 30.179-118.642 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.243 32.309-119.909 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.650 32.447-118.210 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.016 32.672-117.485 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.964 32.441-121.643 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.280 33.473-118.103 1.00 0.64 H new ATOM 0 HE2 TYR A 88 66.229 33.232-122.262 1.00 0.62 H new ATOM 0 HH TYR A 88 68.270 33.794-121.542 1.00 0.73 H new ATOM 1228 N GLY A 89 60.833 29.540-118.714 1.00 0.59 N ATOM 1229 CA GLY A 89 59.664 29.095-117.904 1.00 0.69 C ATOM 1230 C GLY A 89 59.079 30.356-117.282 1.00 0.77 C ATOM 1231 O GLY A 89 58.662 30.392-116.141 1.00 1.09 O ATOM 0 H GLY A 89 60.720 29.456-119.724 1.00 0.59 H new ATOM 0 HA2 GLY A 89 58.927 28.590-118.528 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.970 28.386-117.134 1.00 0.69 H new ATOM 1235 N LEU A 90 59.076 31.394-118.061 1.00 0.65 N ATOM 1236 CA LEU A 90 58.554 32.702-117.599 1.00 0.75 C ATOM 1237 C LEU A 90 57.214 32.965-118.291 1.00 0.80 C ATOM 1238 O LEU A 90 56.681 34.055-118.267 1.00 1.31 O ATOM 1239 CB LEU A 90 59.593 33.783-117.938 1.00 0.82 C ATOM 1240 CG LEU A 90 58.912 35.098-118.304 1.00 1.03 C ATOM 1241 CD1 LEU A 90 58.060 35.588-117.130 1.00 1.50 C ATOM 1242 CD2 LEU A 90 59.981 36.146-118.621 1.00 1.68 C ATOM 0 H LEU A 90 59.422 31.390-119.021 1.00 0.65 H new ATOM 0 HA LEU A 90 58.387 32.710-116.522 1.00 0.75 H new ATOM 0 HB2 LEU A 90 60.255 33.937-117.086 1.00 0.82 H new ATOM 0 HB3 LEU A 90 60.215 33.448-118.768 1.00 0.82 H new ATOM 0 HG LEU A 90 58.272 34.943-119.173 1.00 1.03 H new ATOM 0 HD11 LEU A 90 57.577 36.527-117.398 1.00 1.50 H new ATOM 0 HD12 LEU A 90 57.300 34.843-116.896 1.00 1.50 H new ATOM 0 HD13 LEU A 90 58.696 35.743-116.259 1.00 1.50 H new ATOM 0 HD21 LEU A 90 59.500 37.088-118.883 1.00 1.68 H new ATOM 0 HD22 LEU A 90 60.616 36.294-117.748 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.589 35.804-119.458 1.00 1.68 H new