USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -13.5! C(o=-17!,f=-14!) USER MOD Set 1.2: A 80 ASN : amide:sc= -3.71! C(o=-17!,f=-14!) USER MOD Single : A 22 MET CE :methyl -161:sc= -0.351 (180deg=-1.41!) USER MOD Single : A 24 LYS NZ :NH3+ -109:sc= -0.934 (180deg=-2.25!) USER MOD Single : A 26 ASN : amide:sc= -5.84! C(o=-5.8!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 142:sc= -0.0532 (180deg=-0.468) USER MOD Single : A 33 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-2!) USER MOD Single : A 46 HIS : no HD1:sc= -5.04! K(o=-5!,f=-1.9) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= 0.611 (180deg=-0.17!) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 0.159 (180deg=-1.58!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= -12.3! (180deg=-12.8!) USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= -0.321 (180deg=-2.5!) USER MOD Single : A 82 ASN : amide:sc= -2.02! K(o=-2!,f=-0.72) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.306 (180deg=-1.1) USER MOD Single : A 88 TYR OH : rot 165:sc= -7.55! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.316 50.200-123.660 1.00 0.57 N ATOM 24 CA GLU A 19 64.510 49.419-124.092 1.00 0.55 C ATOM 25 C GLU A 19 64.422 49.142-125.595 1.00 0.56 C ATOM 26 O GLU A 19 65.339 49.415-126.343 1.00 0.63 O ATOM 27 CB GLU A 19 64.567 48.093-123.321 1.00 0.45 C ATOM 28 CG GLU A 19 63.193 47.417-123.335 1.00 0.38 C ATOM 29 CD GLU A 19 62.189 48.277-122.567 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.620 49.049-121.727 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.004 48.147-122.831 1.00 2.06 O ATOM 0 HA GLU A 19 65.413 49.992-123.883 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.310 47.434-123.770 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.881 48.274-122.293 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.856 47.277-124.362 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.259 46.427-122.884 1.00 0.38 H new ATOM 38 N PHE A 20 63.324 48.601-126.036 1.00 0.51 N ATOM 39 CA PHE A 20 63.163 48.298-127.486 1.00 0.54 C ATOM 40 C PHE A 20 62.002 49.128-128.014 1.00 0.55 C ATOM 41 O PHE A 20 61.496 49.983-127.315 1.00 0.57 O ATOM 42 CB PHE A 20 62.862 46.816-127.642 1.00 0.52 C ATOM 43 CG PHE A 20 63.819 46.046-126.771 1.00 0.52 C ATOM 44 CD1 PHE A 20 65.191 46.058-127.051 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.334 45.327-125.675 1.00 0.49 C ATOM 46 CE1 PHE A 20 66.078 45.349-126.230 1.00 0.82 C ATOM 47 CE2 PHE A 20 64.219 44.620-124.853 1.00 0.51 C ATOM 48 CZ PHE A 20 65.591 44.630-125.129 1.00 0.56 C ATOM 0 H PHE A 20 62.525 48.353-125.452 1.00 0.51 H new ATOM 0 HA PHE A 20 64.069 48.538-128.042 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.832 46.605-127.354 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.970 46.514-128.684 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.565 46.613-127.899 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.275 45.317-125.462 1.00 0.49 H new ATOM 0 HE1 PHE A 20 67.136 45.356-126.445 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.843 44.066-124.005 1.00 0.51 H new ATOM 0 HZ PHE A 20 66.274 44.085-124.495 1.00 0.56 H new ATOM 58 N ARG A 21 61.562 48.927-129.230 1.00 0.57 N ATOM 59 CA ARG A 21 60.435 49.767-129.735 1.00 0.60 C ATOM 60 C ARG A 21 59.273 48.860-130.123 1.00 0.57 C ATOM 61 O ARG A 21 58.310 49.278-130.734 1.00 0.59 O ATOM 62 CB ARG A 21 60.900 50.525-130.969 1.00 0.69 C ATOM 63 CG ARG A 21 62.109 51.394-130.615 1.00 0.74 C ATOM 64 CD ARG A 21 62.760 51.911-131.899 1.00 0.82 C ATOM 65 NE ARG A 21 63.053 50.764-132.804 1.00 1.35 N ATOM 66 CZ ARG A 21 63.326 50.979-134.061 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.339 52.197-134.527 1.00 2.06 N ATOM 68 NH2 ARG A 21 63.587 49.974-134.853 1.00 2.72 N ATOM 0 H ARG A 21 61.925 48.233-129.883 1.00 0.57 H new ATOM 0 HA ARG A 21 60.118 50.467-128.962 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.163 49.824-131.761 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.091 51.148-131.351 1.00 0.69 H new ATOM 0 HG2 ARG A 21 61.798 52.231-129.990 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.829 50.815-130.037 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.097 52.620-132.396 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.680 52.446-131.663 1.00 0.82 H new ATOM 0 HE ARG A 21 63.040 49.811-132.440 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.136 52.982-133.908 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.553 52.365-135.510 1.00 2.06 H new ATOM 0 HH21 ARG A 21 63.577 49.021-134.488 1.00 2.72 H new ATOM 0 HH22 ARG A 21 63.801 50.142-135.836 1.00 2.72 H new ATOM 82 N MET A 22 59.360 47.627-129.748 1.00 0.54 N ATOM 83 CA MET A 22 58.266 46.671-130.062 1.00 0.55 C ATOM 84 C MET A 22 57.425 46.469-128.811 1.00 0.49 C ATOM 85 O MET A 22 57.936 46.423-127.711 1.00 0.63 O ATOM 86 CB MET A 22 58.840 45.328-130.496 1.00 0.61 C ATOM 87 CG MET A 22 59.897 45.546-131.581 1.00 0.71 C ATOM 88 SD MET A 22 59.178 46.508-132.936 1.00 1.14 S ATOM 89 CE MET A 22 57.901 45.316-133.407 1.00 1.25 C ATOM 0 H MET A 22 60.146 47.231-129.233 1.00 0.54 H new ATOM 0 HA MET A 22 57.659 47.073-130.874 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.283 44.817-129.641 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.044 44.686-130.874 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.758 46.070-131.165 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.256 44.586-131.952 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.555 45.534-134.417 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.314 44.308-133.375 1.00 1.25 H new ATOM 0 HE3 MET A 22 57.063 45.387-132.713 1.00 1.25 H new ATOM 99 N GLU A 23 56.140 46.349-128.960 1.00 0.47 N ATOM 100 CA GLU A 23 55.294 46.154-127.760 1.00 0.46 C ATOM 101 C GLU A 23 55.538 44.759-127.195 1.00 0.50 C ATOM 102 O GLU A 23 55.656 44.581-126.000 1.00 0.50 O ATOM 103 CB GLU A 23 53.818 46.318-128.129 1.00 0.50 C ATOM 104 CG GLU A 23 53.549 47.770-128.531 1.00 1.45 C ATOM 105 CD GLU A 23 52.064 47.944-128.849 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.371 46.942-128.918 1.00 2.68 O ATOM 107 OE2 GLU A 23 51.643 49.076-129.019 1.00 2.48 O ATOM 0 H GLU A 23 55.644 46.377-129.851 1.00 0.47 H new ATOM 0 HA GLU A 23 55.552 46.900-127.009 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.561 45.649-128.950 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.188 46.041-127.284 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.840 48.442-127.724 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.151 48.036-129.400 1.00 1.45 H new ATOM 114 N LYS A 24 55.623 43.766-128.034 1.00 0.54 N ATOM 115 CA LYS A 24 55.870 42.394-127.521 1.00 0.59 C ATOM 116 C LYS A 24 57.134 42.399-126.667 1.00 0.53 C ATOM 117 O LYS A 24 57.146 41.911-125.554 1.00 0.55 O ATOM 118 CB LYS A 24 56.055 41.437-128.698 1.00 0.67 C ATOM 119 CG LYS A 24 57.149 41.977-129.621 1.00 0.64 C ATOM 120 CD LYS A 24 57.126 41.208-130.944 1.00 0.77 C ATOM 121 CE LYS A 24 55.810 41.486-131.673 1.00 1.46 C ATOM 122 NZ LYS A 24 54.851 40.376-131.408 1.00 2.09 N ATOM 0 H LYS A 24 55.533 43.845-129.047 1.00 0.54 H new ATOM 0 HA LYS A 24 55.022 42.068-126.919 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.325 40.445-128.336 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.119 41.332-129.247 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.994 43.040-129.803 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.124 41.874-129.145 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.969 41.508-131.566 1.00 0.77 H new ATOM 0 HD3 LYS A 24 57.232 40.139-130.758 1.00 0.77 H new ATOM 0 HE2 LYS A 24 55.388 42.433-131.336 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.988 41.579-132.744 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 54.726 39.811-132.272 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 55.223 39.770-130.649 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 53.934 40.771-131.117 1.00 2.09 H new ATOM 136 N LEU A 25 58.203 42.940-127.181 1.00 0.47 N ATOM 137 CA LEU A 25 59.476 42.973-126.410 1.00 0.42 C ATOM 138 C LEU A 25 59.313 43.836-125.165 1.00 0.39 C ATOM 139 O LEU A 25 59.534 43.394-124.066 1.00 0.55 O ATOM 140 CB LEU A 25 60.574 43.578-127.285 1.00 0.43 C ATOM 141 CG LEU A 25 60.981 42.581-128.372 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.175 43.308-129.710 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.291 41.896-127.971 1.00 1.03 C ATOM 0 H LEU A 25 58.249 43.363-128.108 1.00 0.47 H new ATOM 0 HA LEU A 25 59.740 41.957-126.115 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.220 44.502-127.741 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.438 43.835-126.673 1.00 0.43 H new ATOM 0 HG LEU A 25 60.194 41.835-128.483 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.464 42.589-130.476 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.242 43.791-130.000 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.956 44.061-129.605 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.582 41.185-128.745 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.073 42.646-127.855 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.152 41.368-127.028 1.00 1.03 H new ATOM 155 N ASN A 26 58.939 45.069-125.331 1.00 0.39 N ATOM 156 CA ASN A 26 58.781 45.940-124.133 1.00 0.37 C ATOM 157 C ASN A 26 57.886 45.208-123.135 1.00 0.40 C ATOM 158 O ASN A 26 58.257 44.955-122.006 1.00 0.40 O ATOM 159 CB ASN A 26 58.137 47.266-124.530 1.00 0.41 C ATOM 160 CG ASN A 26 58.773 47.766-125.828 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.593 47.090-126.415 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.430 48.931-126.302 1.00 0.45 N ATOM 0 H ASN A 26 58.738 45.510-126.229 1.00 0.39 H new ATOM 0 HA ASN A 26 59.754 46.151-123.690 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.063 47.137-124.664 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.273 48.002-123.737 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.850 49.274-127.166 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.741 49.499-125.809 1.00 0.45 H new ATOM 169 N GLN A 27 56.709 44.873-123.562 1.00 0.44 N ATOM 170 CA GLN A 27 55.760 44.158-122.672 1.00 0.50 C ATOM 171 C GLN A 27 56.474 42.981-122.003 1.00 0.47 C ATOM 172 O GLN A 27 56.421 42.816-120.800 1.00 0.48 O ATOM 173 CB GLN A 27 54.582 43.636-123.497 1.00 0.59 C ATOM 174 CG GLN A 27 53.668 44.803-123.876 1.00 0.58 C ATOM 175 CD GLN A 27 52.396 44.263-124.532 1.00 1.39 C ATOM 176 OE1 GLN A 27 51.364 44.168-123.897 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.426 43.903-125.785 1.00 2.02 N ATOM 0 H GLN A 27 56.358 45.065-124.500 1.00 0.44 H new ATOM 0 HA GLN A 27 55.394 44.843-121.907 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.946 43.138-124.396 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.024 42.894-122.925 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.414 45.383-122.989 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.185 45.476-124.560 1.00 0.58 H new ATOM 0 HE21 GLN A 27 53.292 43.983-126.318 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.583 43.542-126.232 1.00 2.02 H new ATOM 186 N LEU A 28 57.115 42.140-122.772 1.00 0.47 N ATOM 187 CA LEU A 28 57.797 40.951-122.177 1.00 0.47 C ATOM 188 C LEU A 28 58.940 41.380-121.258 1.00 0.39 C ATOM 189 O LEU A 28 59.101 40.854-120.175 1.00 0.50 O ATOM 190 CB LEU A 28 58.352 40.072-123.299 1.00 0.50 C ATOM 191 CG LEU A 28 57.196 39.389-124.031 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.627 39.044-125.458 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.813 38.105-123.291 1.00 1.21 C ATOM 0 H LEU A 28 57.196 42.224-123.785 1.00 0.47 H new ATOM 0 HA LEU A 28 57.069 40.393-121.587 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.931 40.677-123.997 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.029 39.323-122.888 1.00 0.50 H new ATOM 0 HG LEU A 28 56.339 40.061-124.063 1.00 0.62 H new ATOM 0 HD11 LEU A 28 56.803 38.557-125.979 1.00 1.41 H new ATOM 0 HD12 LEU A 28 57.902 39.957-125.986 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.484 38.371-125.427 1.00 1.41 H new ATOM 0 HD21 LEU A 28 55.989 37.617-123.812 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.671 37.433-123.260 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.506 38.349-122.274 1.00 1.21 H new ATOM 205 N TRP A 29 59.736 42.325-121.666 1.00 0.37 N ATOM 206 CA TRP A 29 60.860 42.777-120.808 1.00 0.30 C ATOM 207 C TRP A 29 60.279 43.285-119.496 1.00 0.36 C ATOM 208 O TRP A 29 60.538 42.749-118.433 1.00 0.39 O ATOM 209 CB TRP A 29 61.569 43.909-121.554 1.00 0.32 C ATOM 210 CG TRP A 29 62.735 44.425-120.783 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.973 45.731-120.567 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.829 43.696-120.148 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.134 45.864-119.836 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.699 44.640-119.550 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.151 42.331-120.027 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.843 44.246-118.860 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.304 41.933-119.331 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.146 42.890-118.749 1.00 0.41 C ATOM 0 H TRP A 29 59.655 42.806-122.562 1.00 0.37 H new ATOM 0 HA TRP A 29 61.565 41.974-120.595 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.905 43.551-122.527 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.866 44.721-121.739 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.353 46.546-120.911 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.527 46.759-119.543 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.508 41.586-120.472 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.491 44.986-118.414 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.543 40.883-119.244 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.030 42.577-118.214 1.00 0.41 H new ATOM 229 N GLU A 30 59.490 44.315-119.565 1.00 0.45 N ATOM 230 CA GLU A 30 58.884 44.854-118.326 1.00 0.56 C ATOM 231 C GLU A 30 58.365 43.672-117.511 1.00 0.50 C ATOM 232 O GLU A 30 58.570 43.585-116.317 1.00 0.52 O ATOM 233 CB GLU A 30 57.723 45.785-118.684 1.00 0.68 C ATOM 234 CG GLU A 30 58.255 47.199-118.920 1.00 0.86 C ATOM 235 CD GLU A 30 57.111 48.106-119.374 1.00 1.53 C ATOM 236 OE1 GLU A 30 56.620 47.904-120.472 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.745 48.990-118.616 1.00 2.06 O ATOM 0 H GLU A 30 59.240 44.805-120.424 1.00 0.45 H new ATOM 0 HA GLU A 30 59.619 45.419-117.753 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.215 45.423-119.578 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.987 45.792-117.880 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.701 47.589-118.005 1.00 0.86 H new ATOM 0 HG3 GLU A 30 59.041 47.182-119.675 1.00 0.86 H new ATOM 244 N LYS A 31 57.699 42.754-118.159 1.00 0.46 N ATOM 245 CA LYS A 31 57.167 41.568-117.438 1.00 0.45 C ATOM 246 C LYS A 31 58.309 40.856-116.704 1.00 0.43 C ATOM 247 O LYS A 31 58.206 40.553-115.531 1.00 0.46 O ATOM 248 CB LYS A 31 56.526 40.606-118.440 1.00 0.44 C ATOM 249 CG LYS A 31 55.008 40.795-118.429 1.00 0.91 C ATOM 250 CD LYS A 31 54.438 40.436-119.803 1.00 0.99 C ATOM 251 CE LYS A 31 54.875 39.021-120.183 1.00 1.36 C ATOM 252 NZ LYS A 31 54.435 38.064-119.128 1.00 2.08 N ATOM 0 H LYS A 31 57.501 42.777-119.159 1.00 0.46 H new ATOM 0 HA LYS A 31 56.419 41.891-116.714 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.919 40.790-119.440 1.00 0.44 H new ATOM 0 HB3 LYS A 31 56.777 39.577-118.184 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.558 40.165-117.661 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.761 41.827-118.180 1.00 0.91 H new ATOM 0 HD2 LYS A 31 53.350 40.499-119.785 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.786 41.149-120.551 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.444 38.742-121.145 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.958 38.982-120.296 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 54.126 37.176-119.572 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 55.227 37.871-118.482 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.645 38.477-118.593 1.00 2.08 H new ATOM 266 N ALA A 32 59.399 40.579-117.376 1.00 0.41 N ATOM 267 CA ALA A 32 60.521 39.883-116.684 1.00 0.41 C ATOM 268 C ALA A 32 60.947 40.697-115.471 1.00 0.41 C ATOM 269 O ALA A 32 60.953 40.201-114.362 1.00 0.42 O ATOM 270 CB ALA A 32 61.726 39.712-117.609 1.00 0.42 C ATOM 0 H ALA A 32 59.557 40.802-118.359 1.00 0.41 H new ATOM 0 HA ALA A 32 60.171 38.896-116.382 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.526 39.201-117.073 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.437 39.122-118.478 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.076 40.691-117.936 1.00 0.42 H new ATOM 276 N GLN A 33 61.291 41.947-115.641 1.00 0.43 N ATOM 277 CA GLN A 33 61.696 42.739-114.458 1.00 0.47 C ATOM 278 C GLN A 33 60.604 42.620-113.402 1.00 0.49 C ATOM 279 O GLN A 33 60.877 42.405-112.243 1.00 0.53 O ATOM 280 CB GLN A 33 61.891 44.203-114.862 1.00 0.51 C ATOM 281 CG GLN A 33 63.080 44.311-115.826 1.00 0.53 C ATOM 282 CD GLN A 33 63.093 45.699-116.468 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.836 46.566-116.054 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.295 45.947-117.470 1.00 1.23 N ATOM 0 H GLN A 33 61.307 42.441-116.533 1.00 0.43 H new ATOM 0 HA GLN A 33 62.637 42.365-114.054 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.987 44.584-115.337 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.069 44.815-113.978 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.013 44.138-115.290 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.008 43.543-116.596 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.671 45.219-117.817 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.295 46.869-117.906 1.00 1.23 H new ATOM 293 N ARG A 34 59.366 42.720-113.801 1.00 0.49 N ATOM 294 CA ARG A 34 58.264 42.572-112.811 1.00 0.52 C ATOM 295 C ARG A 34 58.496 41.264-112.064 1.00 0.52 C ATOM 296 O ARG A 34 58.327 41.172-110.865 1.00 0.55 O ATOM 297 CB ARG A 34 56.917 42.525-113.533 1.00 0.56 C ATOM 298 CG ARG A 34 56.156 43.829-113.282 1.00 0.67 C ATOM 299 CD ARG A 34 56.879 44.984-113.979 1.00 1.59 C ATOM 300 NE ARG A 34 56.245 46.274-113.588 1.00 1.96 N ATOM 301 CZ ARG A 34 56.865 47.400-113.813 1.00 2.81 C ATOM 302 NH1 ARG A 34 58.040 47.396-114.382 1.00 3.42 N ATOM 303 NH2 ARG A 34 56.310 48.530-113.469 1.00 3.58 N ATOM 0 H ARG A 34 59.072 42.896-114.762 1.00 0.49 H new ATOM 0 HA ARG A 34 58.252 43.415-112.120 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.071 42.382-114.603 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.332 41.676-113.178 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.136 43.745-113.657 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.087 44.022-112.211 1.00 0.67 H new ATOM 0 HD2 ARG A 34 57.934 44.986-113.703 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.833 44.857-115.061 1.00 1.59 H new ATOM 0 HE ARG A 34 55.326 46.277-113.144 1.00 1.96 H new ATOM 0 HH11 ARG A 34 58.473 46.513-114.651 1.00 3.42 H new ATOM 0 HH12 ARG A 34 58.524 48.276-114.558 1.00 3.42 H new ATOM 0 HH21 ARG A 34 55.392 48.533-113.024 1.00 3.58 H new ATOM 0 HH22 ARG A 34 56.794 49.410-113.645 1.00 3.58 H new ATOM 317 N LEU A 35 58.940 40.269-112.775 1.00 0.50 N ATOM 318 CA LEU A 35 59.255 38.974-112.123 1.00 0.54 C ATOM 319 C LEU A 35 60.606 39.152-111.450 1.00 0.55 C ATOM 320 O LEU A 35 61.065 38.328-110.684 1.00 0.61 O ATOM 321 CB LEU A 35 59.347 37.867-113.172 1.00 0.57 C ATOM 322 CG LEU A 35 57.954 37.555-113.709 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.038 36.367-114.666 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.026 37.208-112.544 1.00 0.84 C ATOM 0 H LEU A 35 59.098 40.298-113.782 1.00 0.50 H new ATOM 0 HA LEU A 35 58.482 38.696-111.406 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.001 38.178-113.987 1.00 0.57 H new ATOM 0 HB3 LEU A 35 59.788 36.972-112.733 1.00 0.57 H new ATOM 0 HG LEU A 35 57.562 38.423-114.238 1.00 0.68 H new ATOM 0 HD11 LEU A 35 57.044 36.140-115.053 1.00 1.20 H new ATOM 0 HD12 LEU A 35 58.702 36.613-115.494 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.428 35.499-114.135 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.030 36.985-112.926 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.415 36.338-112.015 1.00 0.84 H new ATOM 0 HD23 LEU A 35 56.970 38.054-111.859 1.00 0.84 H new ATOM 336 N HIS A 36 61.241 40.249-111.754 1.00 0.53 N ATOM 337 CA HIS A 36 62.577 40.544-111.170 1.00 0.58 C ATOM 338 C HIS A 36 63.462 39.304-111.256 1.00 0.49 C ATOM 339 O HIS A 36 63.400 38.439-110.405 1.00 1.37 O ATOM 340 CB HIS A 36 62.424 40.937-109.698 1.00 0.98 C ATOM 341 CG HIS A 36 62.179 42.416-109.591 1.00 1.43 C ATOM 342 ND1 HIS A 36 63.109 43.284-109.041 1.00 1.89 N ATOM 343 CD2 HIS A 36 61.113 43.192-109.958 1.00 1.60 C ATOM 344 CE1 HIS A 36 62.586 44.522-109.093 1.00 2.32 C ATOM 345 NE2 HIS A 36 61.369 44.523-109.644 1.00 2.17 N ATOM 0 H HIS A 36 60.886 40.962-112.391 1.00 0.53 H new ATOM 0 HA HIS A 36 63.031 41.364-111.727 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.596 40.388-109.249 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.323 40.667-109.144 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.209 42.826-110.422 1.00 1.60 H new ATOM 0 HE1 HIS A 36 63.089 45.408-108.733 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.759 45.326-109.801 1.00 2.17 H new ATOM 353 N LEU A 37 64.307 39.202-112.249 1.00 0.59 N ATOM 354 CA LEU A 37 65.199 38.016-112.327 1.00 0.43 C ATOM 355 C LEU A 37 66.618 38.483-111.998 1.00 0.44 C ATOM 356 O LEU A 37 66.993 39.588-112.338 1.00 0.42 O ATOM 357 CB LEU A 37 65.193 37.438-113.746 1.00 0.53 C ATOM 358 CG LEU A 37 63.760 37.324-114.264 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.375 38.617-114.984 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.674 36.155-115.247 1.00 0.82 C ATOM 0 H LEU A 37 64.415 39.883-113.000 1.00 0.59 H new ATOM 0 HA LEU A 37 64.857 37.249-111.632 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.777 38.076-114.409 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.667 36.457-113.749 1.00 0.53 H new ATOM 0 HG LEU A 37 63.080 37.156-113.429 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.353 38.537-115.354 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.445 39.455-114.290 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.052 38.782-115.822 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.654 36.068-115.621 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.352 36.331-116.082 1.00 0.82 H new ATOM 0 HD23 LEU A 37 63.955 35.232-114.740 1.00 0.82 H new ATOM 372 N PRO A 38 67.416 37.669-111.363 1.00 0.57 N ATOM 373 CA PRO A 38 68.806 38.079-111.044 1.00 0.66 C ATOM 374 C PRO A 38 69.479 38.679-112.273 1.00 0.58 C ATOM 375 O PRO A 38 69.226 38.252-113.374 1.00 0.52 O ATOM 376 CB PRO A 38 69.459 36.751-110.663 1.00 0.81 C ATOM 377 CG PRO A 38 68.347 35.709-110.455 1.00 0.82 C ATOM 378 CD PRO A 38 67.014 36.307-110.934 1.00 0.69 C ATOM 0 HA PRO A 38 68.875 38.838-110.265 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.143 36.425-111.447 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.048 36.865-109.753 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.574 34.799-111.010 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.281 35.432-109.403 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.582 35.733-111.754 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.271 36.334-110.137 1.00 0.69 H new ATOM 386 N PRO A 39 70.321 39.655-112.104 1.00 0.62 N ATOM 387 CA PRO A 39 71.000 40.273-113.268 1.00 0.60 C ATOM 388 C PRO A 39 71.601 39.206-114.184 1.00 0.53 C ATOM 389 O PRO A 39 71.369 39.183-115.367 1.00 0.51 O ATOM 390 CB PRO A 39 72.090 41.115-112.599 1.00 0.74 C ATOM 391 CG PRO A 39 71.838 41.130-111.083 1.00 0.81 C ATOM 392 CD PRO A 39 70.662 40.198-110.768 1.00 0.74 C ATOM 0 HA PRO A 39 70.335 40.853-113.908 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.074 40.700-112.815 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.079 42.131-112.994 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.731 40.805-110.549 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.617 42.143-110.747 1.00 0.81 H new ATOM 0 HD2 PRO A 39 70.944 39.410-110.069 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.825 40.736-110.322 1.00 0.74 H new ATOM 400 N VAL A 40 72.396 38.349-113.627 1.00 0.52 N ATOM 401 CA VAL A 40 73.062 37.286-114.431 1.00 0.47 C ATOM 402 C VAL A 40 72.019 36.569-115.288 1.00 0.41 C ATOM 403 O VAL A 40 72.136 36.464-116.504 1.00 0.37 O ATOM 404 CB VAL A 40 73.710 36.280-113.472 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.683 35.232-113.035 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.887 35.590-114.166 1.00 0.50 C ATOM 0 H VAL A 40 72.620 38.335-112.632 1.00 0.52 H new ATOM 0 HA VAL A 40 73.820 37.727-115.079 1.00 0.47 H new ATOM 0 HB VAL A 40 74.070 36.812-112.591 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.154 34.523-112.354 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.853 35.725-112.528 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.310 34.701-113.911 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.345 34.876-113.482 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.530 35.066-115.052 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.625 36.337-114.459 1.00 0.50 H new ATOM 416 N ARG A 41 70.978 36.109-114.669 1.00 0.42 N ATOM 417 CA ARG A 41 69.905 35.425-115.429 1.00 0.40 C ATOM 418 C ARG A 41 69.171 36.473-116.247 1.00 0.34 C ATOM 419 O ARG A 41 68.524 36.175-117.233 1.00 0.30 O ATOM 420 CB ARG A 41 68.933 34.750-114.461 1.00 0.46 C ATOM 421 CG ARG A 41 67.916 33.923-115.251 1.00 0.87 C ATOM 422 CD ARG A 41 67.129 33.028-114.292 1.00 1.00 C ATOM 423 NE ARG A 41 66.308 33.876-113.382 1.00 1.53 N ATOM 424 CZ ARG A 41 65.340 33.341-112.690 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.091 32.063-112.794 1.00 2.54 N ATOM 426 NH2 ARG A 41 64.620 34.082-111.892 1.00 3.12 N ATOM 0 H ARG A 41 70.822 36.177-113.663 1.00 0.42 H new ATOM 0 HA ARG A 41 70.330 34.662-116.081 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.479 34.109-113.769 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.419 35.502-113.862 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.236 34.582-115.790 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.427 33.314-115.996 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.486 32.351-114.854 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.813 32.409-113.711 1.00 1.00 H new ATOM 0 HE ARG A 41 66.503 34.874-113.300 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.653 31.483-113.416 1.00 2.54 H new ATOM 0 HH12 ARG A 41 64.334 31.645-112.253 1.00 2.54 H new ATOM 0 HH21 ARG A 41 64.814 35.080-111.809 1.00 3.12 H new ATOM 0 HH22 ARG A 41 63.863 33.663-111.351 1.00 3.12 H new ATOM 440 N LEU A 42 69.273 37.709-115.845 1.00 0.35 N ATOM 441 CA LEU A 42 68.584 38.781-116.599 1.00 0.30 C ATOM 442 C LEU A 42 69.429 39.145-117.810 1.00 0.31 C ATOM 443 O LEU A 42 68.928 39.632-118.797 1.00 0.49 O ATOM 444 CB LEU A 42 68.373 40.008-115.721 1.00 0.32 C ATOM 445 CG LEU A 42 67.190 40.796-116.277 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.888 40.219-115.727 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.309 42.263-115.863 1.00 0.60 C ATOM 0 H LEU A 42 69.802 38.018-115.030 1.00 0.35 H new ATOM 0 HA LEU A 42 67.605 38.425-116.920 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.180 39.709-114.691 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.270 40.627-115.711 1.00 0.32 H new ATOM 0 HG LEU A 42 67.190 40.725-117.365 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.044 40.782-116.125 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.799 39.174-116.024 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.890 40.288-114.639 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.463 42.823-116.261 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.312 42.335-114.775 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.237 42.678-116.257 1.00 0.60 H new ATOM 459 N ALA A 43 70.704 38.873-117.765 1.00 0.30 N ATOM 460 CA ALA A 43 71.555 39.156-118.940 1.00 0.30 C ATOM 461 C ALA A 43 71.280 38.022-119.908 1.00 0.29 C ATOM 462 O ALA A 43 71.268 38.177-121.104 1.00 0.28 O ATOM 463 CB ALA A 43 73.028 39.152-118.523 1.00 0.36 C ATOM 0 H ALA A 43 71.187 38.467-116.963 1.00 0.30 H new ATOM 0 HA ALA A 43 71.343 40.129-119.383 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.653 39.361-119.392 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.194 39.917-117.765 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.288 38.175-118.116 1.00 0.36 H new ATOM 469 N GLU A 44 71.033 36.871-119.360 1.00 0.30 N ATOM 470 CA GLU A 44 70.711 35.720-120.239 1.00 0.32 C ATOM 471 C GLU A 44 69.396 36.057-120.958 1.00 0.30 C ATOM 472 O GLU A 44 69.347 36.181-122.166 1.00 0.34 O ATOM 473 CB GLU A 44 70.543 34.449-119.402 1.00 0.37 C ATOM 474 CG GLU A 44 71.919 33.860-119.085 1.00 1.15 C ATOM 475 CD GLU A 44 72.870 34.982-118.663 1.00 2.05 C ATOM 476 OE1 GLU A 44 73.092 35.876-119.461 1.00 2.80 O ATOM 477 OE2 GLU A 44 73.360 34.927-117.546 1.00 2.92 O ATOM 0 H GLU A 44 71.039 36.678-118.358 1.00 0.30 H new ATOM 0 HA GLU A 44 71.512 35.543-120.957 1.00 0.32 H new ATOM 0 HB2 GLU A 44 70.012 34.677-118.478 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.940 33.721-119.945 1.00 0.37 H new ATOM 0 HG2 GLU A 44 71.835 33.121-118.288 1.00 1.15 H new ATOM 0 HG3 GLU A 44 72.315 33.343-119.959 1.00 1.15 H new ATOM 484 N LEU A 45 68.330 36.192-120.215 1.00 0.28 N ATOM 485 CA LEU A 45 66.997 36.508-120.829 1.00 0.29 C ATOM 486 C LEU A 45 67.009 37.891-121.504 1.00 0.24 C ATOM 487 O LEU A 45 66.377 38.093-122.524 1.00 0.25 O ATOM 488 CB LEU A 45 65.927 36.492-119.731 1.00 0.34 C ATOM 489 CG LEU A 45 64.638 37.143-120.244 1.00 0.41 C ATOM 490 CD1 LEU A 45 64.037 36.285-121.358 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.636 37.253-119.093 1.00 0.77 C ATOM 0 H LEU A 45 68.321 36.097-119.199 1.00 0.28 H new ATOM 0 HA LEU A 45 66.778 35.758-121.589 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.727 35.466-119.421 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.289 37.026-118.852 1.00 0.34 H new ATOM 0 HG LEU A 45 64.863 38.136-120.634 1.00 0.41 H new ATOM 0 HD11 LEU A 45 63.120 36.750-121.721 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.751 36.201-122.178 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.811 35.292-120.970 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.717 37.716-119.453 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.414 36.258-118.707 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.062 37.864-118.297 1.00 0.77 H new ATOM 503 N HIS A 46 67.728 38.836-120.964 1.00 0.21 N ATOM 504 CA HIS A 46 67.773 40.188-121.601 1.00 0.20 C ATOM 505 C HIS A 46 68.658 40.122-122.847 1.00 0.19 C ATOM 506 O HIS A 46 68.284 40.559-123.917 1.00 0.21 O ATOM 507 CB HIS A 46 68.354 41.208-120.619 1.00 0.23 C ATOM 508 CG HIS A 46 68.321 42.579-121.238 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.468 43.215-121.686 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.288 43.450-121.489 1.00 0.27 C ATOM 511 CE1 HIS A 46 69.102 44.413-122.178 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.785 44.607-122.082 1.00 0.31 N ATOM 0 H HIS A 46 68.284 38.735-120.115 1.00 0.21 H new ATOM 0 HA HIS A 46 66.764 40.494-121.876 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.781 41.203-119.692 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.378 40.938-120.362 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.249 43.265-121.261 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.791 45.130-122.599 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.256 45.427-122.379 1.00 0.31 H new ATOM 520 N ALA A 47 69.829 39.573-122.707 1.00 0.19 N ATOM 521 CA ALA A 47 70.760 39.458-123.862 1.00 0.22 C ATOM 522 C ALA A 47 70.052 38.751-125.009 1.00 0.21 C ATOM 523 O ALA A 47 69.909 39.283-126.092 1.00 0.22 O ATOM 524 CB ALA A 47 71.985 38.638-123.444 1.00 0.27 C ATOM 0 H ALA A 47 70.186 39.194-121.830 1.00 0.19 H new ATOM 0 HA ALA A 47 71.074 40.452-124.180 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.670 38.551-124.288 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.490 39.135-122.616 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.667 37.643-123.131 1.00 0.27 H new ATOM 530 N ASP A 48 69.594 37.556-124.774 1.00 0.22 N ATOM 531 CA ASP A 48 68.882 36.814-125.848 1.00 0.25 C ATOM 532 C ASP A 48 67.696 37.653-126.311 1.00 0.22 C ATOM 533 O ASP A 48 67.485 37.855-127.491 1.00 0.25 O ATOM 534 CB ASP A 48 68.385 35.472-125.304 1.00 0.28 C ATOM 535 CG ASP A 48 69.579 34.627-124.858 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.695 35.110-124.965 1.00 0.94 O ATOM 537 OD2 ASP A 48 69.358 33.511-124.418 1.00 0.84 O ATOM 0 H ASP A 48 69.681 37.061-123.886 1.00 0.22 H new ATOM 0 HA ASP A 48 69.556 36.627-126.684 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.709 35.636-124.465 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.819 34.944-126.071 1.00 0.28 H new ATOM 542 N LEU A 49 66.925 38.154-125.387 1.00 0.19 N ATOM 543 CA LEU A 49 65.764 38.989-125.783 1.00 0.19 C ATOM 544 C LEU A 49 66.245 40.055-126.767 1.00 0.18 C ATOM 545 O LEU A 49 65.570 40.377-127.724 1.00 0.19 O ATOM 546 CB LEU A 49 65.145 39.650-124.551 1.00 0.18 C ATOM 547 CG LEU A 49 64.058 38.737-123.976 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.389 39.425-122.786 1.00 1.06 C ATOM 549 CD2 LEU A 49 63.007 38.448-125.051 1.00 0.89 C ATOM 0 H LEU A 49 67.049 38.021-124.383 1.00 0.19 H new ATOM 0 HA LEU A 49 65.004 38.366-126.254 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.913 39.837-123.800 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.719 40.617-124.819 1.00 0.18 H new ATOM 0 HG LEU A 49 64.511 37.801-123.649 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.616 38.775-122.377 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.135 39.629-122.018 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.939 40.362-123.113 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.235 37.798-124.639 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.556 39.384-125.380 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.481 37.956-125.900 1.00 0.89 H new ATOM 561 N LYS A 50 67.421 40.594-126.558 1.00 0.20 N ATOM 562 CA LYS A 50 67.938 41.620-127.507 1.00 0.21 C ATOM 563 C LYS A 50 68.233 40.933-128.836 1.00 0.23 C ATOM 564 O LYS A 50 67.702 41.291-129.863 1.00 0.24 O ATOM 565 CB LYS A 50 69.229 42.230-126.953 1.00 0.24 C ATOM 566 CG LYS A 50 68.892 43.281-125.895 1.00 0.36 C ATOM 567 CD LYS A 50 69.533 44.616-126.279 1.00 0.84 C ATOM 568 CE LYS A 50 69.220 45.662-125.207 1.00 1.09 C ATOM 569 NZ LYS A 50 68.728 46.909-125.858 1.00 1.84 N ATOM 0 H LYS A 50 68.038 40.369-125.778 1.00 0.20 H new ATOM 0 HA LYS A 50 67.201 42.412-127.643 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.853 41.450-126.518 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.803 42.684-127.760 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.811 43.395-125.812 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.255 42.959-124.919 1.00 0.36 H new ATOM 0 HD2 LYS A 50 70.612 44.497-126.382 1.00 0.84 H new ATOM 0 HD3 LYS A 50 69.155 44.947-127.246 1.00 0.84 H new ATOM 0 HE2 LYS A 50 68.468 45.278-124.518 1.00 1.09 H new ATOM 0 HE3 LYS A 50 70.113 45.874-124.619 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 68.867 47.714-125.215 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 69.257 47.073-126.738 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 67.716 46.811-126.076 1.00 1.84 H new ATOM 583 N ILE A 51 69.077 39.945-128.818 1.00 0.25 N ATOM 584 CA ILE A 51 69.392 39.247-130.094 1.00 0.27 C ATOM 585 C ILE A 51 68.063 39.039-130.816 1.00 0.26 C ATOM 586 O ILE A 51 67.829 39.559-131.904 1.00 0.25 O ATOM 587 CB ILE A 51 70.044 37.893-129.807 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.545 38.088-129.594 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.815 36.953-130.992 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.770 39.022-128.406 1.00 0.30 C ATOM 0 H ILE A 51 69.557 39.593-127.990 1.00 0.25 H new ATOM 0 HA ILE A 51 70.086 39.831-130.699 1.00 0.27 H new ATOM 0 HB ILE A 51 69.601 37.459-128.910 1.00 0.33 H new ATOM 0 HG12 ILE A 51 72.026 37.127-129.412 1.00 0.36 H new ATOM 0 HG13 ILE A 51 72.000 38.507-130.492 1.00 0.36 H new ATOM 0 HG21 ILE A 51 70.280 35.989-130.787 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.745 36.815-131.145 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.257 37.385-131.890 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.840 39.163-128.252 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.302 39.986-128.607 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.329 38.584-127.510 1.00 0.30 H new ATOM 602 N GLN A 52 67.162 38.325-130.203 1.00 0.26 N ATOM 603 CA GLN A 52 65.841 38.132-130.832 1.00 0.27 C ATOM 604 C GLN A 52 65.278 39.511-131.159 1.00 0.24 C ATOM 605 O GLN A 52 64.528 39.673-132.092 1.00 0.26 O ATOM 606 CB GLN A 52 64.911 37.408-129.859 1.00 0.32 C ATOM 607 CG GLN A 52 63.815 36.685-130.641 1.00 0.45 C ATOM 608 CD GLN A 52 64.423 35.500-131.392 1.00 0.62 C ATOM 609 OE1 GLN A 52 65.101 34.679-130.808 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.210 35.377-132.673 1.00 0.48 N ATOM 0 H GLN A 52 67.288 37.871-129.298 1.00 0.26 H new ATOM 0 HA GLN A 52 65.929 37.533-131.738 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.478 36.694-129.262 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.467 38.122-129.165 1.00 0.32 H new ATOM 0 HG2 GLN A 52 63.037 36.338-129.961 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.342 37.371-131.344 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.641 36.066-133.164 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.613 34.591-133.184 1.00 0.48 H new ATOM 619 N GLU A 53 65.644 40.514-130.395 1.00 0.23 N ATOM 620 CA GLU A 53 65.134 41.883-130.675 1.00 0.23 C ATOM 621 C GLU A 53 65.702 42.371-132.002 1.00 0.20 C ATOM 622 O GLU A 53 64.974 42.773-132.878 1.00 0.21 O ATOM 623 CB GLU A 53 65.561 42.839-129.567 1.00 0.25 C ATOM 624 CG GLU A 53 64.636 44.058-129.562 1.00 0.28 C ATOM 625 CD GLU A 53 63.877 44.086-128.239 1.00 0.33 C ATOM 626 OE1 GLU A 53 64.466 43.723-127.235 1.00 1.04 O ATOM 627 OE2 GLU A 53 62.723 44.466-128.249 1.00 1.09 O ATOM 0 H GLU A 53 66.271 40.439-129.594 1.00 0.23 H new ATOM 0 HA GLU A 53 64.045 41.853-130.723 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.521 42.335-128.601 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.593 43.153-129.720 1.00 0.25 H new ATOM 0 HG2 GLU A 53 65.215 44.973-129.686 1.00 0.28 H new ATOM 0 HG3 GLU A 53 63.938 44.007-130.398 1.00 0.28 H new ATOM 634 N ARG A 54 66.994 42.325-132.180 1.00 0.22 N ATOM 635 CA ARG A 54 67.565 42.773-133.473 1.00 0.22 C ATOM 636 C ARG A 54 66.818 42.064-134.586 1.00 0.20 C ATOM 637 O ARG A 54 66.611 42.591-135.663 1.00 0.21 O ATOM 638 CB ARG A 54 69.036 42.379-133.534 1.00 0.24 C ATOM 639 CG ARG A 54 69.859 43.352-132.695 1.00 0.27 C ATOM 640 CD ARG A 54 70.693 44.246-133.616 1.00 0.85 C ATOM 641 NE ARG A 54 71.389 43.405-134.629 1.00 1.55 N ATOM 642 CZ ARG A 54 71.908 43.958-135.691 1.00 2.09 C ATOM 643 NH1 ARG A 54 71.816 45.249-135.865 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.517 43.222-136.580 1.00 3.03 N ATOM 0 H ARG A 54 67.671 41.999-131.490 1.00 0.22 H new ATOM 0 HA ARG A 54 67.473 43.854-133.576 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.167 41.362-133.164 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.384 42.389-134.567 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.200 43.963-132.078 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.512 42.802-132.017 1.00 0.27 H new ATOM 0 HD2 ARG A 54 70.051 44.974-134.112 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.422 44.808-133.032 1.00 0.85 H new ATOM 0 HE ARG A 54 71.460 42.397-134.493 1.00 1.55 H new ATOM 0 HH11 ARG A 54 71.339 45.824-135.171 1.00 2.40 H new ATOM 0 HH12 ARG A 54 72.221 45.682-136.695 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.588 42.213-136.445 1.00 3.03 H new ATOM 0 HH22 ARG A 54 72.922 43.655-137.410 1.00 3.03 H new ATOM 658 N ASP A 55 66.386 40.870-134.312 1.00 0.20 N ATOM 659 CA ASP A 55 65.622 40.104-135.336 1.00 0.21 C ATOM 660 C ASP A 55 64.152 40.548-135.323 1.00 0.21 C ATOM 661 O ASP A 55 63.500 40.618-136.352 1.00 0.20 O ATOM 662 CB ASP A 55 65.707 38.610-135.023 1.00 0.25 C ATOM 663 CG ASP A 55 67.173 38.174-135.007 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.979 38.853-135.623 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.466 37.168-134.382 1.00 0.94 O ATOM 0 H ASP A 55 66.527 40.388-133.424 1.00 0.20 H new ATOM 0 HA ASP A 55 66.047 40.294-136.321 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.245 38.403-134.058 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.155 38.039-135.770 1.00 0.25 H new ATOM 670 N GLU A 56 63.628 40.888-134.175 1.00 0.27 N ATOM 671 CA GLU A 56 62.215 41.344-134.113 1.00 0.32 C ATOM 672 C GLU A 56 62.124 42.701-134.785 1.00 0.30 C ATOM 673 O GLU A 56 61.313 42.916-135.660 1.00 0.31 O ATOM 674 CB GLU A 56 61.764 41.453-132.656 1.00 0.39 C ATOM 675 CG GLU A 56 61.647 40.050-132.054 1.00 0.44 C ATOM 676 CD GLU A 56 61.890 40.115-130.545 1.00 0.89 C ATOM 677 OE1 GLU A 56 63.038 40.013-130.145 1.00 1.72 O ATOM 678 OE2 GLU A 56 60.925 40.263-129.816 1.00 1.39 O ATOM 0 H GLU A 56 64.119 40.869-133.281 1.00 0.27 H new ATOM 0 HA GLU A 56 61.568 40.629-134.621 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.478 42.047-132.086 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.804 41.967-132.598 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.658 39.639-132.255 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.371 39.382-132.520 1.00 0.44 H new ATOM 685 N LEU A 57 62.977 43.610-134.413 1.00 0.30 N ATOM 686 CA LEU A 57 62.959 44.934-135.071 1.00 0.32 C ATOM 687 C LEU A 57 63.246 44.706-136.551 1.00 0.28 C ATOM 688 O LEU A 57 62.534 45.176-137.414 1.00 0.29 O ATOM 689 CB LEU A 57 64.041 45.833-134.464 1.00 0.36 C ATOM 690 CG LEU A 57 63.784 46.004-132.967 1.00 0.50 C ATOM 691 CD1 LEU A 57 65.044 46.547-132.291 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.631 46.988-132.757 1.00 1.22 C ATOM 0 H LEU A 57 63.681 43.491-133.685 1.00 0.30 H new ATOM 0 HA LEU A 57 61.994 45.422-134.933 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.026 45.395-134.627 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.039 46.805-134.957 1.00 0.36 H new ATOM 0 HG LEU A 57 63.524 45.039-132.531 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.860 46.669-131.224 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.867 45.848-132.440 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.304 47.512-132.727 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.447 47.110-131.690 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.892 47.952-133.193 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.732 46.603-133.238 1.00 1.22 H new ATOM 704 N ALA A 58 64.272 43.950-136.859 1.00 0.25 N ATOM 705 CA ALA A 58 64.565 43.670-138.285 1.00 0.24 C ATOM 706 C ALA A 58 63.284 43.144-138.929 1.00 0.21 C ATOM 707 O ALA A 58 63.060 43.292-140.114 1.00 0.21 O ATOM 708 CB ALA A 58 65.667 42.614-138.390 1.00 0.24 C ATOM 0 H ALA A 58 64.909 43.522-136.187 1.00 0.25 H new ATOM 0 HA ALA A 58 64.903 44.575-138.790 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.878 42.412-139.440 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.570 42.981-137.902 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.339 41.696-137.903 1.00 0.24 H new ATOM 714 N TRP A 59 62.424 42.552-138.140 1.00 0.19 N ATOM 715 CA TRP A 59 61.147 42.051-138.712 1.00 0.18 C ATOM 716 C TRP A 59 60.134 43.197-138.801 1.00 0.20 C ATOM 717 O TRP A 59 59.531 43.418-139.832 1.00 0.30 O ATOM 718 CB TRP A 59 60.554 40.926-137.870 1.00 0.19 C ATOM 719 CG TRP A 59 59.324 40.452-138.571 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.294 39.505-139.537 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.951 40.905-138.399 1.00 0.27 C ATOM 722 NE1 TRP A 59 57.997 39.359-139.983 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.127 40.195-139.304 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.347 41.852-137.555 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.751 40.420-139.369 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.964 42.080-137.615 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.168 41.365-138.521 1.00 0.39 C ATOM 0 H TRP A 59 62.551 42.397-137.140 1.00 0.19 H new ATOM 0 HA TRP A 59 61.363 41.658-139.706 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.270 40.112-137.756 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.313 41.281-136.868 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.148 38.953-139.900 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.714 38.715-140.722 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.952 42.409-136.855 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.142 39.868-140.069 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.511 42.810-136.960 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.104 41.545-138.563 1.00 0.39 H new ATOM 738 N LYS A 60 59.942 43.934-137.738 1.00 0.27 N ATOM 739 CA LYS A 60 58.967 45.058-137.817 1.00 0.30 C ATOM 740 C LYS A 60 59.235 45.761-139.143 1.00 0.29 C ATOM 741 O LYS A 60 58.336 46.169-139.857 1.00 0.31 O ATOM 742 CB LYS A 60 59.168 46.036-136.655 1.00 0.38 C ATOM 743 CG LYS A 60 60.261 47.048-137.009 1.00 0.42 C ATOM 744 CD LYS A 60 60.715 47.777-135.743 1.00 1.08 C ATOM 745 CE LYS A 60 59.832 49.006-135.516 1.00 1.53 C ATOM 746 NZ LYS A 60 58.450 48.568-135.171 1.00 2.27 N ATOM 0 H LYS A 60 60.407 43.810-136.839 1.00 0.27 H new ATOM 0 HA LYS A 60 57.943 44.690-137.755 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.234 46.556-136.440 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.444 45.490-135.753 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.107 46.538-137.470 1.00 0.42 H new ATOM 0 HG3 LYS A 60 59.884 47.765-137.738 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.654 47.109-134.884 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.758 48.078-135.839 1.00 1.08 H new ATOM 0 HE2 LYS A 60 60.242 49.618-134.713 1.00 1.53 H new ATOM 0 HE3 LYS A 60 59.815 49.626-136.413 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 57.994 49.291-134.579 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 57.899 48.437-136.043 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.491 47.669-134.649 1.00 2.27 H new ATOM 760 N LYS A 61 60.488 45.861-139.488 1.00 0.28 N ATOM 761 CA LYS A 61 60.857 46.492-140.777 1.00 0.30 C ATOM 762 C LYS A 61 60.491 45.532-141.907 1.00 0.27 C ATOM 763 O LYS A 61 59.858 45.911-142.862 1.00 0.35 O ATOM 764 CB LYS A 61 62.356 46.784-140.814 1.00 0.35 C ATOM 765 CG LYS A 61 62.781 47.456-139.507 1.00 0.40 C ATOM 766 CD LYS A 61 63.827 48.534-139.804 1.00 0.77 C ATOM 767 CE LYS A 61 64.410 49.056-138.490 1.00 1.42 C ATOM 768 NZ LYS A 61 65.826 49.468-138.705 1.00 2.43 N ATOM 0 H LYS A 61 61.273 45.530-138.927 1.00 0.28 H new ATOM 0 HA LYS A 61 60.320 47.433-140.892 1.00 0.30 H new ATOM 0 HB2 LYS A 61 62.914 45.858-140.957 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.590 47.431-141.660 1.00 0.35 H new ATOM 0 HG2 LYS A 61 61.915 47.900-139.016 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.192 46.715-138.821 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.621 48.123-140.428 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.373 49.352-140.363 1.00 0.77 H new ATOM 0 HE2 LYS A 61 63.824 49.902-138.130 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.357 48.283-137.723 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.224 49.823-137.812 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.380 48.650-139.030 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.864 50.219-139.424 1.00 2.43 H new ATOM 782 N LEU A 62 60.883 44.288-141.818 1.00 0.24 N ATOM 783 CA LEU A 62 60.539 43.338-142.910 1.00 0.24 C ATOM 784 C LEU A 62 59.080 43.544-143.281 1.00 0.24 C ATOM 785 O LEU A 62 58.744 43.903-144.392 1.00 0.26 O ATOM 786 CB LEU A 62 60.697 41.897-142.418 1.00 0.24 C ATOM 787 CG LEU A 62 62.148 41.434-142.568 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.474 40.426-141.465 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.333 40.758-143.928 1.00 0.41 C ATOM 0 H LEU A 62 61.420 43.895-141.045 1.00 0.24 H new ATOM 0 HA LEU A 62 61.196 43.514-143.762 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.394 41.828-141.373 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.039 41.239-142.985 1.00 0.24 H new ATOM 0 HG LEU A 62 62.811 42.296-142.493 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.507 40.094-141.569 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.340 40.897-140.491 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.807 39.568-141.548 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.367 40.429-144.033 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.669 39.897-143.999 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.095 41.466-144.722 1.00 0.41 H new ATOM 801 N LYS A 63 58.213 43.288-142.350 1.00 0.24 N ATOM 802 CA LYS A 63 56.759 43.430-142.625 1.00 0.26 C ATOM 803 C LYS A 63 56.442 44.857-143.086 1.00 0.29 C ATOM 804 O LYS A 63 55.605 45.062-143.942 1.00 0.30 O ATOM 805 CB LYS A 63 55.957 43.103-141.362 1.00 0.34 C ATOM 806 CG LYS A 63 56.362 44.047-140.229 1.00 0.46 C ATOM 807 CD LYS A 63 55.141 44.348-139.358 1.00 0.41 C ATOM 808 CE LYS A 63 54.454 45.620-139.860 1.00 0.58 C ATOM 809 NZ LYS A 63 54.672 45.757-141.327 1.00 1.20 N ATOM 0 H LYS A 63 58.448 42.985-141.405 1.00 0.24 H new ATOM 0 HA LYS A 63 56.482 42.735-143.418 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.890 43.199-141.563 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.134 42.069-141.066 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.149 43.593-139.627 1.00 0.46 H new ATOM 0 HG3 LYS A 63 56.767 44.972-140.639 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.444 43.510-139.388 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.445 44.473-138.319 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.387 45.580-139.643 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.853 46.491-139.340 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 54.071 46.520-141.698 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 55.670 45.983-141.510 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.427 44.863-141.799 1.00 1.20 H new ATOM 823 N LEU A 64 57.092 45.848-142.532 1.00 0.33 N ATOM 824 CA LEU A 64 56.813 47.254-142.945 1.00 0.43 C ATOM 825 C LEU A 64 57.234 47.487-144.399 1.00 0.52 C ATOM 826 O LEU A 64 56.475 47.982-145.208 1.00 0.75 O ATOM 827 CB LEU A 64 57.612 48.184-142.027 1.00 0.38 C ATOM 828 CG LEU A 64 56.792 48.503-140.778 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.616 49.378-139.834 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.518 49.249-141.181 1.00 1.23 C ATOM 0 H LEU A 64 57.805 45.743-141.810 1.00 0.33 H new ATOM 0 HA LEU A 64 55.744 47.453-142.866 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.553 47.712-141.745 1.00 0.38 H new ATOM 0 HB3 LEU A 64 57.862 49.104-142.554 1.00 0.38 H new ATOM 0 HG LEU A 64 56.526 47.574-140.273 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.030 49.605-138.943 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.524 48.848-139.546 1.00 1.10 H new ATOM 0 HD13 LEU A 64 57.883 50.306-140.339 1.00 1.10 H new ATOM 0 HD21 LEU A 64 54.933 49.477-140.290 1.00 1.23 H new ATOM 0 HD22 LEU A 64 55.784 50.177-141.687 1.00 1.23 H new ATOM 0 HD23 LEU A 64 54.928 48.625-141.853 1.00 1.23 H new ATOM 842 N ASP A 65 58.443 47.144-144.726 1.00 0.45 N ATOM 843 CA ASP A 65 58.938 47.347-146.115 1.00 0.60 C ATOM 844 C ASP A 65 58.357 46.274-147.036 1.00 0.96 C ATOM 845 O ASP A 65 58.546 46.311-148.235 1.00 0.98 O ATOM 846 CB ASP A 65 60.465 47.255-146.129 1.00 0.53 C ATOM 847 CG ASP A 65 61.059 48.523-145.514 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.309 49.462-145.300 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.253 48.535-145.266 1.00 1.14 O ATOM 0 H ASP A 65 59.119 46.727-144.086 1.00 0.45 H new ATOM 0 HA ASP A 65 58.626 48.330-146.467 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.792 46.379-145.569 1.00 0.53 H new ATOM 0 HB3 ASP A 65 60.823 47.132-147.151 1.00 0.53 H new ATOM 854 N GLY A 66 57.650 45.318-146.496 1.00 1.30 N ATOM 855 CA GLY A 66 57.063 44.256-147.359 1.00 1.72 C ATOM 856 C GLY A 66 58.155 43.271-147.779 1.00 0.91 C ATOM 857 O GLY A 66 58.419 43.089-148.951 1.00 1.14 O ATOM 0 H GLY A 66 57.455 45.228-145.499 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.274 43.731-146.820 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.604 44.703-148.241 1.00 1.72 H new ATOM 861 N LEU A 67 58.789 42.625-146.836 1.00 0.37 N ATOM 862 CA LEU A 67 59.853 41.652-147.204 1.00 1.03 C ATOM 863 C LEU A 67 59.347 40.231-146.958 1.00 0.91 C ATOM 864 O LEU A 67 59.571 39.341-147.754 1.00 1.09 O ATOM 865 CB LEU A 67 61.108 41.913-146.374 1.00 1.69 C ATOM 866 CG LEU A 67 61.892 43.072-146.995 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.140 43.360-146.157 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.313 42.697-148.417 1.00 2.68 C ATOM 0 H LEU A 67 58.617 42.729-145.836 1.00 0.37 H new ATOM 0 HA LEU A 67 60.102 41.768-148.259 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.835 42.153-145.346 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.728 41.017-146.339 1.00 1.69 H new ATOM 0 HG LEU A 67 61.261 43.960-147.021 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.695 44.186-146.603 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.843 43.628-145.143 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.772 42.472-146.128 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.871 43.521-148.860 1.00 2.68 H new ATOM 0 HD22 LEU A 67 62.942 41.807-148.388 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.426 42.495-149.018 1.00 2.68 H new ATOM 880 N ASP A 68 58.594 40.022-145.912 1.00 0.69 N ATOM 881 CA ASP A 68 57.984 38.688-145.661 1.00 0.59 C ATOM 882 C ASP A 68 56.486 38.876-145.871 1.00 0.59 C ATOM 883 O ASP A 68 55.843 39.493-145.046 1.00 0.59 O ATOM 884 CB ASP A 68 58.241 38.267-144.208 1.00 0.53 C ATOM 885 CG ASP A 68 57.984 36.768-144.065 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.643 36.151-145.060 1.00 0.97 O ATOM 887 OD2 ASP A 68 58.135 36.265-142.967 1.00 1.19 O ATOM 0 H ASP A 68 58.374 40.730-145.212 1.00 0.69 H new ATOM 0 HA ASP A 68 58.400 37.924-146.318 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.268 38.500-143.926 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.590 38.825-143.535 1.00 0.53 H new ATOM 892 N GLU A 69 55.890 38.430-146.945 1.00 0.63 N ATOM 893 CA GLU A 69 54.439 38.705-147.103 1.00 0.69 C ATOM 894 C GLU A 69 53.585 37.703-146.329 1.00 0.71 C ATOM 895 O GLU A 69 52.376 37.826-146.308 1.00 0.77 O ATOM 896 CB GLU A 69 54.075 38.632-148.586 1.00 0.73 C ATOM 897 CG GLU A 69 54.580 37.311-149.171 1.00 0.75 C ATOM 898 CD GLU A 69 54.178 37.218-150.645 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.025 36.915-150.905 1.00 2.06 O ATOM 900 OE2 GLU A 69 55.028 37.454-151.487 1.00 1.82 O ATOM 0 H GLU A 69 56.332 37.903-147.698 1.00 0.63 H new ATOM 0 HA GLU A 69 54.238 39.699-146.704 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.995 38.708-148.710 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.517 39.472-149.122 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.664 37.249-149.074 1.00 0.75 H new ATOM 0 HG3 GLU A 69 54.162 36.472-148.615 1.00 0.75 H new ATOM 907 N ASP A 70 54.154 36.725-145.676 1.00 0.72 N ATOM 908 CA ASP A 70 53.300 35.773-144.913 1.00 0.78 C ATOM 909 C ASP A 70 53.691 35.872-143.439 1.00 0.69 C ATOM 910 O ASP A 70 53.241 35.116-142.602 1.00 0.84 O ATOM 911 CB ASP A 70 53.536 34.347-145.416 1.00 0.83 C ATOM 912 CG ASP A 70 53.093 34.240-146.876 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.644 35.240-147.412 1.00 1.34 O ATOM 914 OD2 ASP A 70 53.210 33.161-147.432 1.00 1.43 O ATOM 0 H ASP A 70 55.158 36.546-145.638 1.00 0.72 H new ATOM 0 HA ASP A 70 52.246 36.017-145.045 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.591 34.088-145.325 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.980 33.637-144.803 1.00 0.83 H new ATOM 919 N GLY A 71 54.525 36.825-143.132 1.00 0.50 N ATOM 920 CA GLY A 71 54.964 37.032-141.726 1.00 0.43 C ATOM 921 C GLY A 71 55.690 35.795-141.187 1.00 0.34 C ATOM 922 O GLY A 71 55.840 35.642-139.991 1.00 0.31 O ATOM 0 H GLY A 71 54.926 37.478-143.805 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.624 37.898-141.672 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.099 37.251-141.100 1.00 0.43 H new ATOM 926 N GLU A 72 56.155 34.908-142.030 1.00 0.36 N ATOM 927 CA GLU A 72 56.868 33.717-141.482 1.00 0.34 C ATOM 928 C GLU A 72 58.078 34.218-140.692 1.00 0.30 C ATOM 929 O GLU A 72 58.277 33.864-139.549 1.00 0.30 O ATOM 930 CB GLU A 72 57.332 32.807-142.624 1.00 0.40 C ATOM 931 CG GLU A 72 57.795 33.656-143.808 1.00 1.23 C ATOM 932 CD GLU A 72 58.147 32.744-144.985 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.338 31.892-145.311 1.00 2.64 O ATOM 934 OE2 GLU A 72 59.221 32.914-145.538 1.00 2.68 O ATOM 0 H GLU A 72 56.075 34.953-143.046 1.00 0.36 H new ATOM 0 HA GLU A 72 56.202 33.142-140.838 1.00 0.34 H new ATOM 0 HB2 GLU A 72 58.146 32.167-142.283 1.00 0.40 H new ATOM 0 HB3 GLU A 72 56.518 32.151-142.932 1.00 0.40 H new ATOM 0 HG2 GLU A 72 57.009 34.354-144.098 1.00 1.23 H new ATOM 0 HG3 GLU A 72 58.662 34.252-143.524 1.00 1.23 H new ATOM 941 N LYS A 73 58.881 35.050-141.293 1.00 0.31 N ATOM 942 CA LYS A 73 60.064 35.581-140.564 1.00 0.33 C ATOM 943 C LYS A 73 59.586 36.017-139.178 1.00 0.29 C ATOM 944 O LYS A 73 60.309 35.963-138.192 1.00 0.29 O ATOM 945 CB LYS A 73 60.640 36.782-141.321 1.00 0.38 C ATOM 946 CG LYS A 73 61.093 36.345-142.718 1.00 0.55 C ATOM 947 CD LYS A 73 61.987 37.425-143.328 1.00 1.07 C ATOM 948 CE LYS A 73 63.427 37.227-142.849 1.00 1.38 C ATOM 949 NZ LYS A 73 64.335 38.119-143.622 1.00 2.36 N ATOM 0 H LYS A 73 58.770 35.383-142.251 1.00 0.31 H new ATOM 0 HA LYS A 73 60.843 34.823-140.481 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.889 37.568-141.401 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.482 37.201-140.770 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.635 35.401-142.657 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.226 36.174-143.356 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.944 37.375-144.416 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.629 38.414-143.040 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.501 37.449-141.784 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.725 36.187-142.979 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 65.215 37.611-143.844 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.869 38.407-144.506 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 64.557 38.963-143.056 1.00 2.36 H new ATOM 963 N GLU A 74 58.329 36.352-139.089 1.00 0.28 N ATOM 964 CA GLU A 74 57.742 36.704-137.775 1.00 0.28 C ATOM 965 C GLU A 74 57.462 35.377-137.090 1.00 0.26 C ATOM 966 O GLU A 74 57.636 35.206-135.918 1.00 0.27 O ATOM 967 CB GLU A 74 56.431 37.462-137.982 1.00 0.31 C ATOM 968 CG GLU A 74 56.156 38.337-136.764 1.00 0.37 C ATOM 969 CD GLU A 74 54.655 38.343-136.464 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.897 37.918-137.320 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.290 38.772-135.382 1.00 1.14 O ATOM 0 H GLU A 74 57.683 36.396-139.877 1.00 0.28 H new ATOM 0 HA GLU A 74 58.407 37.337-137.187 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.491 38.077-138.880 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.611 36.759-138.132 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.708 37.962-135.902 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.504 39.353-136.948 1.00 0.37 H new ATOM 978 N ALA A 75 57.041 34.439-137.877 1.00 0.25 N ATOM 979 CA ALA A 75 56.764 33.089-137.332 1.00 0.27 C ATOM 980 C ALA A 75 58.050 32.622-136.676 1.00 0.26 C ATOM 981 O ALA A 75 58.115 32.462-135.477 1.00 0.27 O ATOM 982 CB ALA A 75 56.348 32.127-138.446 1.00 0.30 C ATOM 0 H ALA A 75 56.876 34.547-138.878 1.00 0.25 H new ATOM 0 HA ALA A 75 55.942 33.117-136.617 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.150 31.143-138.022 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.447 32.501-138.932 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.151 32.051-139.180 1.00 0.30 H new ATOM 988 N ARG A 76 59.080 32.400-137.435 1.00 0.28 N ATOM 989 CA ARG A 76 60.347 31.945-136.810 1.00 0.31 C ATOM 990 C ARG A 76 60.626 32.812-135.585 1.00 0.28 C ATOM 991 O ARG A 76 60.924 32.314-134.517 1.00 0.30 O ATOM 992 CB ARG A 76 61.498 32.063-137.816 1.00 0.35 C ATOM 993 CG ARG A 76 62.207 33.410-137.646 1.00 0.66 C ATOM 994 CD ARG A 76 63.277 33.564-138.728 1.00 1.00 C ATOM 995 NE ARG A 76 64.003 34.849-138.527 1.00 1.51 N ATOM 996 CZ ARG A 76 65.140 35.059-139.133 1.00 2.03 C ATOM 997 NH1 ARG A 76 65.641 34.143-139.916 1.00 2.34 N ATOM 998 NH2 ARG A 76 65.775 36.186-138.958 1.00 3.14 N ATOM 0 H ARG A 76 59.102 32.512-138.449 1.00 0.28 H new ATOM 0 HA ARG A 76 60.259 30.901-136.509 1.00 0.31 H new ATOM 0 HB2 ARG A 76 62.207 31.248-137.667 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.115 31.970-138.832 1.00 0.35 H new ATOM 0 HG2 ARG A 76 61.485 34.224-137.715 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.663 33.471-136.658 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.976 32.728-138.685 1.00 1.00 H new ATOM 0 HD3 ARG A 76 62.816 33.544-139.716 1.00 1.00 H new ATOM 0 HE ARG A 76 63.611 35.565-137.915 1.00 1.51 H new ATOM 0 HH11 ARG A 76 65.144 33.263-140.054 1.00 2.34 H new ATOM 0 HH12 ARG A 76 66.529 34.307-140.390 1.00 2.34 H new ATOM 0 HH21 ARG A 76 65.383 36.903-138.348 1.00 3.14 H new ATOM 0 HH22 ARG A 76 66.663 36.350-139.432 1.00 3.14 H new ATOM 1012 N LEU A 77 60.533 34.105-135.725 1.00 0.30 N ATOM 1013 CA LEU A 77 60.800 34.985-134.551 1.00 0.31 C ATOM 1014 C LEU A 77 59.880 34.587-133.393 1.00 0.29 C ATOM 1015 O LEU A 77 60.329 34.239-132.320 1.00 0.30 O ATOM 1016 CB LEU A 77 60.555 36.441-134.935 1.00 0.35 C ATOM 1017 CG LEU A 77 61.838 37.017-135.534 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.504 38.247-136.374 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.796 37.415-134.408 1.00 0.38 C ATOM 0 H LEU A 77 60.287 34.587-136.590 1.00 0.30 H new ATOM 0 HA LEU A 77 61.838 34.870-134.239 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.739 36.509-135.655 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.256 37.017-134.059 1.00 0.35 H new ATOM 0 HG LEU A 77 62.311 36.264-136.165 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.420 38.656-136.800 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.824 37.965-137.178 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.029 38.999-135.744 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.710 37.826-134.836 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.322 38.166-133.776 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.038 36.537-133.809 1.00 0.38 H new ATOM 1031 N ILE A 78 58.597 34.628-133.608 1.00 0.29 N ATOM 1032 CA ILE A 78 57.631 34.249-132.539 1.00 0.32 C ATOM 1033 C ILE A 78 58.018 32.890-131.974 1.00 0.30 C ATOM 1034 O ILE A 78 58.046 32.687-130.785 1.00 0.32 O ATOM 1035 CB ILE A 78 56.231 34.164-133.131 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.800 35.559-133.559 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.260 33.626-132.079 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.888 35.451-134.774 1.00 0.37 C ATOM 0 H ILE A 78 58.170 34.911-134.490 1.00 0.29 H new ATOM 0 HA ILE A 78 57.649 34.997-131.747 1.00 0.32 H new ATOM 0 HB ILE A 78 56.229 33.493-133.990 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.279 36.058-132.742 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.674 36.165-133.798 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.259 33.566-132.505 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.580 32.633-131.763 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.249 34.295-131.218 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.576 36.448-135.085 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.425 34.968-135.590 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.009 34.860-134.518 1.00 0.37 H new ATOM 1050 N ARG A 79 58.336 31.968-132.829 1.00 0.29 N ATOM 1051 CA ARG A 79 58.753 30.621-132.334 1.00 0.32 C ATOM 1052 C ARG A 79 60.044 30.784-131.523 1.00 0.26 C ATOM 1053 O ARG A 79 60.306 30.040-130.599 1.00 0.26 O ATOM 1054 CB ARG A 79 58.999 29.685-133.520 1.00 0.38 C ATOM 1055 CG ARG A 79 59.948 28.562-133.097 1.00 0.39 C ATOM 1056 CD ARG A 79 59.688 27.324-133.956 1.00 0.39 C ATOM 1057 NE ARG A 79 60.525 26.193-133.465 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.259 24.973-133.844 1.00 2.14 C ATOM 1059 NH1 ARG A 79 59.262 24.743-134.653 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.992 23.982-133.413 1.00 3.27 N ATOM 0 H ARG A 79 58.328 32.080-133.843 1.00 0.29 H new ATOM 0 HA ARG A 79 57.970 30.192-131.709 1.00 0.32 H new ATOM 0 HB2 ARG A 79 58.055 29.266-133.868 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.427 30.242-134.354 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.983 28.885-133.209 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.801 28.324-132.044 1.00 0.39 H new ATOM 0 HD2 ARG A 79 58.633 27.054-133.914 1.00 0.39 H new ATOM 0 HD3 ARG A 79 59.921 27.537-134.999 1.00 0.39 H new ATOM 0 HE ARG A 79 61.305 26.372-132.833 1.00 1.50 H new ATOM 0 HH11 ARG A 79 58.690 25.517-134.990 1.00 2.28 H new ATOM 0 HH12 ARG A 79 59.055 23.789-134.949 1.00 2.28 H new ATOM 0 HH21 ARG A 79 61.772 24.162-132.781 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.785 23.028-133.709 1.00 3.27 H new ATOM 1074 N ASN A 80 60.841 31.770-131.849 1.00 0.23 N ATOM 1075 CA ASN A 80 62.101 32.000-131.081 1.00 0.21 C ATOM 1076 C ASN A 80 61.754 32.757-129.802 1.00 0.21 C ATOM 1077 O ASN A 80 62.465 32.701-128.815 1.00 0.22 O ATOM 1078 CB ASN A 80 63.077 32.825-131.923 1.00 0.23 C ATOM 1079 CG ASN A 80 63.221 32.190-133.307 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.533 32.866-134.269 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.004 30.912-133.452 1.00 1.15 N ATOM 0 H ASN A 80 60.673 32.425-132.613 1.00 0.23 H new ATOM 0 HA ASN A 80 62.570 31.047-130.836 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.717 33.849-132.017 1.00 0.23 H new ATOM 0 HB3 ASN A 80 64.048 32.873-131.430 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.096 30.480-134.371 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.742 30.344-132.646 1.00 1.15 H new ATOM 1088 N LEU A 81 60.617 33.394-129.788 1.00 0.23 N ATOM 1089 CA LEU A 81 60.173 34.082-128.551 1.00 0.28 C ATOM 1090 C LEU A 81 59.596 32.983-127.684 1.00 0.30 C ATOM 1091 O LEU A 81 59.979 32.782-126.552 1.00 0.31 O ATOM 1092 CB LEU A 81 59.089 35.117-128.874 1.00 0.35 C ATOM 1093 CG LEU A 81 59.733 36.455-129.248 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.646 36.920-128.112 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.552 36.289-130.529 1.00 1.26 C ATOM 0 H LEU A 81 59.979 33.466-130.580 1.00 0.23 H new ATOM 0 HA LEU A 81 60.989 34.614-128.063 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.469 34.761-129.696 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.433 35.248-128.014 1.00 0.35 H new ATOM 0 HG LEU A 81 58.953 37.198-129.412 1.00 0.44 H new ATOM 0 HD11 LEU A 81 61.104 37.872-128.380 1.00 1.28 H new ATOM 0 HD12 LEU A 81 60.060 37.042-127.201 1.00 1.28 H new ATOM 0 HD13 LEU A 81 61.426 36.177-127.945 1.00 1.28 H new ATOM 0 HD21 LEU A 81 61.010 37.242-130.794 1.00 1.26 H new ATOM 0 HD22 LEU A 81 61.331 35.544-130.369 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.899 35.962-131.338 1.00 1.26 H new ATOM 1107 N ASN A 82 58.702 32.241-128.258 1.00 0.35 N ATOM 1108 CA ASN A 82 58.090 31.094-127.561 1.00 0.42 C ATOM 1109 C ASN A 82 59.199 30.250-126.949 1.00 0.37 C ATOM 1110 O ASN A 82 59.255 30.056-125.756 1.00 0.38 O ATOM 1111 CB ASN A 82 57.304 30.285-128.601 1.00 0.51 C ATOM 1112 CG ASN A 82 55.881 30.836-128.713 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.077 30.657-127.820 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.535 31.505-129.779 1.00 0.98 N ATOM 0 H ASN A 82 58.362 32.388-129.208 1.00 0.35 H new ATOM 0 HA ASN A 82 57.419 31.417-126.765 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.802 30.337-129.569 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.276 29.234-128.313 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.589 31.878-129.863 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.210 31.655-130.528 1.00 0.98 H new ATOM 1121 N VAL A 83 60.095 29.759-127.752 1.00 0.35 N ATOM 1122 CA VAL A 83 61.210 28.945-127.200 1.00 0.36 C ATOM 1123 C VAL A 83 61.894 29.742-126.086 1.00 0.32 C ATOM 1124 O VAL A 83 62.069 29.264-124.987 1.00 0.35 O ATOM 1125 CB VAL A 83 62.220 28.643-128.308 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.279 27.671-127.784 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.495 28.013-129.499 1.00 0.44 C ATOM 0 H VAL A 83 60.105 29.885-128.764 1.00 0.35 H new ATOM 0 HA VAL A 83 60.825 28.006-126.803 1.00 0.36 H new ATOM 0 HB VAL A 83 62.702 29.569-128.622 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.998 27.456-128.574 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.795 28.119-126.935 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.799 26.745-127.469 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.214 27.797-130.290 1.00 0.44 H new ATOM 0 HG22 VAL A 83 61.013 27.087-129.184 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.741 28.705-129.873 1.00 0.44 H new ATOM 1137 N ILE A 84 62.280 30.957-126.371 1.00 0.27 N ATOM 1138 CA ILE A 84 62.952 31.774-125.321 1.00 0.30 C ATOM 1139 C ILE A 84 62.131 31.718-124.029 1.00 0.31 C ATOM 1140 O ILE A 84 62.638 31.409-122.961 1.00 0.37 O ATOM 1141 CB ILE A 84 63.060 33.220-125.774 1.00 0.34 C ATOM 1142 CG1 ILE A 84 64.180 33.334-126.803 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.385 34.101-124.565 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.964 34.584-127.644 1.00 0.37 C ATOM 0 H ILE A 84 62.161 31.415-127.275 1.00 0.27 H new ATOM 0 HA ILE A 84 63.951 31.374-125.147 1.00 0.30 H new ATOM 0 HB ILE A 84 62.119 33.544-126.218 1.00 0.34 H new ATOM 0 HG12 ILE A 84 65.147 33.381-126.302 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.195 32.450-127.441 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.464 35.141-124.883 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.592 34.008-123.823 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.331 33.783-124.127 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.763 34.669-128.381 1.00 0.37 H new ATOM 0 HD12 ILE A 84 63.004 34.517-128.156 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.971 35.462-126.999 1.00 0.37 H new ATOM 1156 N LEU A 85 60.864 32.015-124.116 1.00 0.35 N ATOM 1157 CA LEU A 85 60.018 31.985-122.894 1.00 0.42 C ATOM 1158 C LEU A 85 59.978 30.562-122.353 1.00 0.42 C ATOM 1159 O LEU A 85 60.369 30.307-121.240 1.00 0.47 O ATOM 1160 CB LEU A 85 58.598 32.433-123.235 1.00 0.54 C ATOM 1161 CG LEU A 85 58.516 33.962-123.240 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.376 34.467-121.804 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.784 34.550-123.863 1.00 0.61 C ATOM 0 H LEU A 85 60.381 32.276-124.976 1.00 0.35 H new ATOM 0 HA LEU A 85 60.437 32.658-122.146 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.309 32.042-124.211 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.895 32.026-122.508 1.00 0.54 H new ATOM 0 HG LEU A 85 57.651 34.273-123.826 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.317 35.555-121.805 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.470 34.055-121.360 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.241 34.151-121.221 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.718 35.638-123.863 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.653 34.239-123.283 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.885 34.193-124.888 1.00 0.61 H new ATOM 1175 N ALA A 86 59.523 29.633-123.139 1.00 0.47 N ATOM 1176 CA ALA A 86 59.472 28.222-122.676 1.00 0.58 C ATOM 1177 C ALA A 86 60.842 27.833-122.115 1.00 0.59 C ATOM 1178 O ALA A 86 60.985 26.856-121.407 1.00 0.73 O ATOM 1179 CB ALA A 86 59.135 27.319-123.865 1.00 0.64 C ATOM 0 H ALA A 86 59.182 29.790-124.087 1.00 0.47 H new ATOM 0 HA ALA A 86 58.712 28.109-121.903 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.096 26.281-123.534 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.167 27.606-124.277 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.902 27.426-124.632 1.00 0.64 H new ATOM 1185 N LYS A 87 61.851 28.592-122.443 1.00 0.50 N ATOM 1186 CA LYS A 87 63.225 28.286-121.955 1.00 0.60 C ATOM 1187 C LYS A 87 63.397 28.826-120.546 1.00 0.58 C ATOM 1188 O LYS A 87 63.944 28.175-119.678 1.00 0.71 O ATOM 1189 CB LYS A 87 64.233 28.970-122.867 1.00 0.61 C ATOM 1190 CG LYS A 87 65.569 28.228-122.808 1.00 0.82 C ATOM 1191 CD LYS A 87 66.601 28.962-123.668 1.00 0.99 C ATOM 1192 CE LYS A 87 67.924 28.195-123.643 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.138 27.615-122.287 1.00 2.02 N ATOM 0 H LYS A 87 61.781 29.420-123.035 1.00 0.50 H new ATOM 0 HA LYS A 87 63.381 27.207-121.956 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.860 28.985-123.891 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.369 30.008-122.562 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.917 28.166-121.777 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.445 27.205-123.164 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.239 29.051-124.692 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.748 29.975-123.293 1.00 0.99 H new ATOM 0 HE2 LYS A 87 67.911 27.402-124.391 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.748 28.861-123.899 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.130 27.318-122.189 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.918 28.330-121.565 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 67.516 26.791-122.160 1.00 2.02 H new ATOM 1207 N TYR A 88 62.913 30.007-120.305 1.00 0.45 N ATOM 1208 CA TYR A 88 63.033 30.577-118.938 1.00 0.47 C ATOM 1209 C TYR A 88 61.888 30.033-118.092 1.00 0.54 C ATOM 1210 O TYR A 88 61.945 30.000-116.879 1.00 0.58 O ATOM 1211 CB TYR A 88 62.970 32.103-119.002 1.00 0.44 C ATOM 1212 CG TYR A 88 64.284 32.619-119.538 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.382 32.755-118.679 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.410 32.947-120.893 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.605 33.221-119.174 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.635 33.412-121.389 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.732 33.548-120.529 1.00 0.61 C ATOM 1218 OH TYR A 88 67.939 34.005-121.019 1.00 0.73 O ATOM 0 H TYR A 88 62.443 30.600-120.989 1.00 0.45 H new ATOM 0 HA TYR A 88 63.988 30.295-118.493 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.149 32.421-119.644 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.778 32.515-118.011 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.285 32.500-117.634 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.564 32.842-121.556 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.451 33.328-118.511 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.733 33.666-122.434 1.00 0.62 H new ATOM 0 HH TYR A 88 67.934 33.958-121.998 1.00 0.73 H new ATOM 1228 N GLY A 89 60.838 29.631-118.742 1.00 0.59 N ATOM 1229 CA GLY A 89 59.654 29.108-118.005 1.00 0.69 C ATOM 1230 C GLY A 89 58.824 30.300-117.536 1.00 0.77 C ATOM 1231 O GLY A 89 58.363 30.354-116.412 1.00 1.09 O ATOM 0 H GLY A 89 60.745 29.641-119.758 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.060 28.460-118.650 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.971 28.506-117.153 1.00 0.69 H new ATOM 1235 N LEU A 90 58.645 31.265-118.395 1.00 0.65 N ATOM 1236 CA LEU A 90 57.863 32.473-118.025 1.00 0.75 C ATOM 1237 C LEU A 90 56.523 32.485-118.773 1.00 0.80 C ATOM 1238 O LEU A 90 55.554 33.058-118.318 1.00 1.31 O ATOM 1239 CB LEU A 90 58.671 33.707-118.419 1.00 0.82 C ATOM 1240 CG LEU A 90 58.517 34.785-117.355 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.356 36.004-117.746 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.042 35.184-117.259 1.00 1.68 C ATOM 0 H LEU A 90 59.012 31.266-119.347 1.00 0.65 H new ATOM 0 HA LEU A 90 57.666 32.470-116.953 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.722 33.443-118.533 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.330 34.084-119.383 1.00 0.82 H new ATOM 0 HG LEU A 90 58.857 34.408-116.391 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.248 36.778-116.987 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.404 35.715-117.823 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.014 36.388-118.707 1.00 1.50 H new ATOM 0 HD21 LEU A 90 56.923 35.956-116.499 1.00 1.68 H new ATOM 0 HD22 LEU A 90 56.705 35.568-118.222 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.446 34.312-116.988 1.00 1.68 H new