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= -5.97! C(o=-16!,f=-23!) USER MOD Set 1.2: A 80 ASN : amide:sc= -10.2! C(o=-16!,f=-23!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.248 (180deg=-1.73) USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -0.825 (180deg=-2.34!) USER MOD Single : A 26 ASN : amide:sc= -4.44! C(o=-4.4!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.73) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -7.4! C(o=-7.4!,f=-7.5!) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.474 F(o=-1.7,f=-0.47) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -4! C(o=-7.7!,f=-4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -0.86 (180deg=-3.04!) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= -3.63! (180deg=-3.69!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.767 F(o=-1.9!,f=-0.77) USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0.529 (180deg=0.479) USER MOD Single : A 88 TYR OH : rot 158:sc= -10.8! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 62.746 50.086-123.648 1.00 0.57 N ATOM 24 CA GLU A 19 64.018 49.343-123.933 1.00 0.55 C ATOM 25 C GLU A 19 64.105 48.950-125.418 1.00 0.56 C ATOM 26 O GLU A 19 65.114 49.154-126.063 1.00 0.63 O ATOM 27 CB GLU A 19 64.077 48.087-123.057 1.00 0.45 C ATOM 28 CG GLU A 19 62.714 47.393-123.056 1.00 0.38 C ATOM 29 CD GLU A 19 61.713 48.225-122.252 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.106 49.262-121.745 1.00 2.06 O ATOM 31 OE2 GLU A 19 60.569 47.810-122.157 1.00 1.96 O ATOM 0 HA GLU A 19 64.862 49.993-123.705 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.842 47.407-123.432 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.360 48.355-122.039 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.358 47.267-124.079 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.803 46.396-122.624 1.00 0.38 H new ATOM 38 N PHE A 20 63.051 48.414-125.971 1.00 0.51 N ATOM 39 CA PHE A 20 63.063 48.037-127.421 1.00 0.54 C ATOM 40 C PHE A 20 62.073 48.936-128.153 1.00 0.55 C ATOM 41 O PHE A 20 61.679 49.960-127.646 1.00 0.57 O ATOM 42 CB PHE A 20 62.627 46.581-127.589 1.00 0.52 C ATOM 43 CG PHE A 20 63.439 45.702-126.678 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.754 45.370-127.012 1.00 0.80 C ATOM 45 CD2 PHE A 20 62.872 45.222-125.496 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.506 44.553-126.160 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.621 44.405-124.640 1.00 0.51 C ATOM 48 CZ PHE A 20 64.940 44.070-124.973 1.00 0.56 C ATOM 0 H PHE A 20 62.177 48.219-125.482 1.00 0.51 H new ATOM 0 HA PHE A 20 64.069 48.155-127.824 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.567 46.480-127.358 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.759 46.269-128.625 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.190 45.743-127.927 1.00 0.80 H new ATOM 0 HD2 PHE A 20 61.855 45.481-125.242 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.523 44.295-126.418 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.183 44.034-123.725 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.520 43.440-124.315 1.00 0.56 H new ATOM 58 N ARG A 21 61.643 48.579-129.332 1.00 0.57 N ATOM 59 CA ARG A 21 60.657 49.439-130.039 1.00 0.60 C ATOM 60 C ARG A 21 59.442 48.572-130.363 1.00 0.57 C ATOM 61 O ARG A 21 58.492 49.003-130.985 1.00 0.59 O ATOM 62 CB ARG A 21 61.269 49.967-131.337 1.00 0.69 C ATOM 63 CG ARG A 21 62.639 50.584-131.045 1.00 0.74 C ATOM 64 CD ARG A 21 63.075 51.440-132.237 1.00 0.82 C ATOM 65 NE ARG A 21 61.991 52.402-132.579 1.00 1.35 N ATOM 66 CZ ARG A 21 62.241 53.418-133.360 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.441 53.587-133.845 1.00 2.06 N ATOM 68 NH2 ARG A 21 61.291 54.262-133.657 1.00 2.72 N ATOM 0 H ARG A 21 61.929 47.737-129.831 1.00 0.57 H new ATOM 0 HA ARG A 21 60.373 50.288-129.418 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.370 49.157-132.059 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.611 50.712-131.784 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.591 51.194-130.143 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.372 49.799-130.860 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.991 51.979-131.996 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.295 50.804-133.094 1.00 0.82 H new ATOM 0 HE ARG A 21 61.053 52.267-132.203 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.182 52.926-133.614 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.637 54.380-134.455 1.00 2.06 H new ATOM 0 HH21 ARG A 21 60.353 54.128-133.279 1.00 2.72 H new ATOM 0 HH22 ARG A 21 61.486 55.056-134.267 1.00 2.72 H new ATOM 82 N MET A 22 59.483 47.342-129.929 1.00 0.54 N ATOM 83 CA MET A 22 58.352 46.407-130.181 1.00 0.55 C ATOM 84 C MET A 22 57.559 46.223-128.887 1.00 0.49 C ATOM 85 O MET A 22 58.114 45.971-127.834 1.00 0.63 O ATOM 86 CB MET A 22 58.898 45.054-130.641 1.00 0.61 C ATOM 87 CG MET A 22 59.339 45.150-132.103 1.00 0.71 C ATOM 88 SD MET A 22 58.105 44.350-133.159 1.00 1.14 S ATOM 89 CE MET A 22 57.063 45.803-133.434 1.00 1.25 C ATOM 0 H MET A 22 60.261 46.942-129.405 1.00 0.54 H new ATOM 0 HA MET A 22 57.704 46.816-130.956 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.740 44.758-130.015 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.133 44.285-130.531 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.457 46.195-132.391 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.310 44.672-132.233 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.490 45.671-134.352 1.00 1.25 H new ATOM 0 HE2 MET A 22 56.380 45.925-132.594 1.00 1.25 H new ATOM 0 HE3 MET A 22 57.691 46.690-133.523 1.00 1.25 H new ATOM 99 N GLU A 23 56.264 46.353-128.955 1.00 0.47 N ATOM 100 CA GLU A 23 55.438 46.196-127.728 1.00 0.46 C ATOM 101 C GLU A 23 55.614 44.792-127.152 1.00 0.50 C ATOM 102 O GLU A 23 55.724 44.619-125.955 1.00 0.50 O ATOM 103 CB GLU A 23 53.964 46.427-128.071 1.00 0.50 C ATOM 104 CG GLU A 23 53.708 47.926-128.242 1.00 1.45 C ATOM 105 CD GLU A 23 52.201 48.183-128.300 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.594 47.812-129.291 1.00 2.68 O ATOM 107 OE2 GLU A 23 51.679 48.747-127.352 1.00 2.48 O ATOM 0 H GLU A 23 55.743 46.561-129.807 1.00 0.47 H new ATOM 0 HA GLU A 23 55.761 46.927-126.987 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.705 45.896-128.987 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.329 46.027-127.281 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.150 48.478-127.413 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.184 48.285-129.154 1.00 1.45 H new ATOM 114 N LYS A 24 55.640 43.782-127.980 1.00 0.54 N ATOM 115 CA LYS A 24 55.805 42.404-127.446 1.00 0.59 C ATOM 116 C LYS A 24 57.047 42.345-126.561 1.00 0.53 C ATOM 117 O LYS A 24 56.993 41.893-125.434 1.00 0.55 O ATOM 118 CB LYS A 24 55.939 41.411-128.606 1.00 0.67 C ATOM 119 CG LYS A 24 57.358 41.461-129.176 1.00 0.64 C ATOM 120 CD LYS A 24 57.407 40.680-130.490 1.00 0.77 C ATOM 121 CE LYS A 24 58.551 41.209-131.357 1.00 1.46 C ATOM 122 NZ LYS A 24 58.386 40.714-132.752 1.00 2.09 N ATOM 0 H LYS A 24 55.555 43.852-128.994 1.00 0.54 H new ATOM 0 HA LYS A 24 54.930 42.138-126.853 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.712 40.402-128.260 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.216 41.650-129.386 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.658 42.495-129.344 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.064 41.037-128.462 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.550 39.618-130.289 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.460 40.779-131.020 1.00 0.77 H new ATOM 0 HE2 LYS A 24 58.557 42.299-131.345 1.00 1.46 H new ATOM 0 HE3 LYS A 24 59.509 40.880-130.954 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 58.726 41.436-133.419 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 58.936 39.840-132.878 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 57.381 40.520-132.935 1.00 2.09 H new ATOM 136 N LEU A 25 58.167 42.792-127.053 1.00 0.47 N ATOM 137 CA LEU A 25 59.412 42.755-126.237 1.00 0.42 C ATOM 138 C LEU A 25 59.230 43.602-124.981 1.00 0.39 C ATOM 139 O LEU A 25 59.426 43.144-123.880 1.00 0.55 O ATOM 140 CB LEU A 25 60.564 43.332-127.060 1.00 0.43 C ATOM 141 CG LEU A 25 61.179 42.243-127.935 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.264 42.739-129.380 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.586 41.926-127.422 1.00 1.03 C ATOM 0 H LEU A 25 58.275 43.183-127.989 1.00 0.47 H new ATOM 0 HA LEU A 25 59.629 41.725-125.954 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.202 44.150-127.684 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.322 43.748-126.397 1.00 0.43 H new ATOM 0 HG LEU A 25 60.561 41.346-127.896 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.703 41.962-130.006 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.264 42.975-129.743 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.886 43.633-129.422 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.033 41.149-128.042 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.201 42.825-127.468 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.527 41.579-126.390 1.00 1.03 H new ATOM 155 N ASN A 26 58.860 44.839-125.144 1.00 0.39 N ATOM 156 CA ASN A 26 58.674 45.701-123.943 1.00 0.37 C ATOM 157 C ASN A 26 57.796 44.940-122.950 1.00 0.40 C ATOM 158 O ASN A 26 58.171 44.688-121.822 1.00 0.40 O ATOM 159 CB ASN A 26 57.989 47.012-124.323 1.00 0.41 C ATOM 160 CG ASN A 26 58.530 47.503-125.667 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.375 46.868-126.265 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.076 48.619-126.170 1.00 0.45 N ATOM 0 H ASN A 26 58.680 45.287-126.042 1.00 0.39 H new ATOM 0 HA ASN A 26 59.644 45.936-123.505 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.911 46.866-124.385 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.165 47.763-123.553 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.431 48.957-127.065 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.366 49.153-125.668 1.00 0.45 H new ATOM 169 N GLN A 27 56.625 44.582-123.381 1.00 0.44 N ATOM 170 CA GLN A 27 55.687 43.840-122.497 1.00 0.50 C ATOM 171 C GLN A 27 56.434 42.694-121.813 1.00 0.47 C ATOM 172 O GLN A 27 56.407 42.553-120.603 1.00 0.48 O ATOM 173 CB GLN A 27 54.537 43.276-123.332 1.00 0.59 C ATOM 174 CG GLN A 27 53.431 44.326-123.454 1.00 0.58 C ATOM 175 CD GLN A 27 52.708 44.466-122.113 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.364 43.481-121.490 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.462 45.656-121.640 1.00 2.02 N ATOM 0 H GLN A 27 56.271 44.773-124.319 1.00 0.44 H new ATOM 0 HA GLN A 27 55.287 44.515-121.741 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.896 42.994-124.322 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.145 42.372-122.866 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.856 45.284-123.751 1.00 0.58 H new ATOM 0 HG3 GLN A 27 52.724 44.036-124.231 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.751 46.483-122.163 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.981 45.760-120.747 1.00 2.02 H new ATOM 186 N LEU A 28 57.091 41.861-122.575 1.00 0.47 N ATOM 187 CA LEU A 28 57.825 40.710-121.971 1.00 0.47 C ATOM 188 C LEU A 28 58.901 41.210-121.006 1.00 0.39 C ATOM 189 O LEU A 28 59.022 40.723-119.900 1.00 0.50 O ATOM 190 CB LEU A 28 58.483 39.891-123.083 1.00 0.50 C ATOM 191 CG LEU A 28 57.443 38.968-123.721 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.991 38.412-125.036 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.134 37.811-122.768 1.00 1.21 C ATOM 0 H LEU A 28 57.151 41.928-123.591 1.00 0.47 H new ATOM 0 HA LEU A 28 57.118 40.090-121.420 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.906 40.555-123.837 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.306 39.303-122.678 1.00 0.50 H new ATOM 0 HG LEU A 28 56.531 39.531-123.917 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.250 37.754-125.490 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.211 39.235-125.716 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.904 37.849-124.841 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.393 37.153-123.222 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.046 37.248-122.571 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.742 38.206-121.831 1.00 1.21 H new ATOM 205 N TRP A 29 59.681 42.177-121.403 1.00 0.37 N ATOM 206 CA TRP A 29 60.741 42.711-120.509 1.00 0.30 C ATOM 207 C TRP A 29 60.109 43.125-119.185 1.00 0.36 C ATOM 208 O TRP A 29 60.430 42.603-118.130 1.00 0.39 O ATOM 209 CB TRP A 29 61.335 43.930-121.220 1.00 0.32 C ATOM 210 CG TRP A 29 62.488 44.504-120.475 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.645 45.820-120.241 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.649 43.840-119.895 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.821 46.017-119.553 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.476 44.828-119.311 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.062 42.496-119.813 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.669 44.499-118.671 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.262 42.163-119.168 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.063 43.163-118.598 1.00 0.41 C ATOM 0 H TRP A 29 59.627 42.623-122.319 1.00 0.37 H new ATOM 0 HA TRP A 29 61.514 41.971-120.303 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.657 43.644-122.221 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.564 44.692-121.338 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.959 46.597-120.544 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.166 46.931-119.258 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.452 41.719-120.249 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.284 45.272-118.235 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.571 41.130-119.110 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.985 42.899-118.102 1.00 0.41 H new ATOM 229 N GLU A 30 59.213 44.068-119.237 1.00 0.45 N ATOM 230 CA GLU A 30 58.556 44.523-117.990 1.00 0.56 C ATOM 231 C GLU A 30 58.169 43.281-117.187 1.00 0.50 C ATOM 232 O GLU A 30 58.392 43.198-115.996 1.00 0.52 O ATOM 233 CB GLU A 30 57.299 45.325-118.335 1.00 0.68 C ATOM 234 CG GLU A 30 57.673 46.792-118.554 1.00 0.86 C ATOM 235 CD GLU A 30 56.400 47.627-118.708 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.747 47.492-119.730 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.100 48.386-117.801 1.00 2.06 O ATOM 0 H GLU A 30 58.910 44.541-120.089 1.00 0.45 H new ATOM 0 HA GLU A 30 59.228 45.158-117.412 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.832 44.920-119.233 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.569 45.241-117.530 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.261 47.158-117.712 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.295 46.891-119.444 1.00 0.86 H new ATOM 244 N LYS A 31 57.594 42.312-117.844 1.00 0.46 N ATOM 245 CA LYS A 31 57.193 41.065-117.136 1.00 0.45 C ATOM 246 C LYS A 31 58.411 40.453-116.433 1.00 0.43 C ATOM 247 O LYS A 31 58.375 40.158-115.251 1.00 0.46 O ATOM 248 CB LYS A 31 56.629 40.063-118.145 1.00 0.44 C ATOM 249 CG LYS A 31 55.169 39.757-117.803 1.00 0.91 C ATOM 250 CD LYS A 31 54.662 38.623-118.696 1.00 0.99 C ATOM 251 CE LYS A 31 54.726 39.057-120.161 1.00 1.36 C ATOM 252 NZ LYS A 31 53.488 38.614-120.864 1.00 2.08 N ATOM 0 H LYS A 31 57.384 42.330-118.842 1.00 0.46 H new ATOM 0 HA LYS A 31 56.431 41.303-116.394 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.699 40.469-119.154 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.217 39.145-118.129 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.082 39.475-116.754 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.557 40.648-117.945 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.267 37.729-118.544 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.638 38.365-118.427 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.827 40.140-120.227 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.604 38.626-120.641 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.530 38.909-121.861 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.411 37.578-120.812 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.658 39.046-120.410 1.00 2.08 H new ATOM 266 N ALA A 32 59.492 40.251-117.140 1.00 0.41 N ATOM 267 CA ALA A 32 60.686 39.649-116.481 1.00 0.41 C ATOM 268 C ALA A 32 61.065 40.486-115.266 1.00 0.41 C ATOM 269 O ALA A 32 61.031 40.011-114.143 1.00 0.42 O ATOM 270 CB ALA A 32 61.868 39.604-117.448 1.00 0.42 C ATOM 0 H ALA A 32 59.599 40.473-118.130 1.00 0.41 H new ATOM 0 HA ALA A 32 60.442 38.632-116.176 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.730 39.161-116.949 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.604 39.002-118.318 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.115 40.616-117.769 1.00 0.42 H new ATOM 276 N GLN A 33 61.424 41.730-115.448 1.00 0.43 N ATOM 277 CA GLN A 33 61.789 42.546-114.264 1.00 0.47 C ATOM 278 C GLN A 33 60.747 42.309-113.180 1.00 0.49 C ATOM 279 O GLN A 33 61.059 42.229-112.009 1.00 0.53 O ATOM 280 CB GLN A 33 61.825 44.026-114.651 1.00 0.51 C ATOM 281 CG GLN A 33 62.944 44.259-115.674 1.00 0.53 C ATOM 282 CD GLN A 33 62.685 45.566-116.425 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.577 45.573-117.634 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.582 46.680-115.753 1.00 1.23 N ATOM 0 H GLN A 33 61.478 42.205-116.349 1.00 0.43 H new ATOM 0 HA GLN A 33 62.775 42.262-113.896 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.865 44.327-115.071 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.992 44.640-113.766 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.909 44.302-115.169 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.988 43.426-116.376 1.00 0.53 H new ATOM 0 HE21 GLN A 33 62.673 46.673-114.737 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.411 47.558-116.244 1.00 1.23 H new ATOM 293 N ARG A 34 59.508 42.176-113.563 1.00 0.49 N ATOM 294 CA ARG A 34 58.450 41.921-112.553 1.00 0.52 C ATOM 295 C ARG A 34 58.778 40.622-111.834 1.00 0.52 C ATOM 296 O ARG A 34 58.599 40.496-110.639 1.00 0.55 O ATOM 297 CB ARG A 34 57.097 41.795-113.246 1.00 0.56 C ATOM 298 CG ARG A 34 56.223 42.998-112.886 1.00 0.67 C ATOM 299 CD ARG A 34 55.725 42.857-111.447 1.00 1.59 C ATOM 300 NE ARG A 34 54.392 42.190-111.446 1.00 1.96 N ATOM 301 CZ ARG A 34 53.908 41.700-110.337 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.590 41.796-109.229 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.742 41.115-110.338 1.00 3.58 N ATOM 0 H ARG A 34 59.185 42.233-114.529 1.00 0.49 H new ATOM 0 HA ARG A 34 58.406 42.745-111.841 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.234 41.742-114.326 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.605 40.871-112.941 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.793 43.920-112.996 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.377 43.063-113.570 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.435 42.275-110.860 1.00 1.59 H new ATOM 0 HD3 ARG A 34 55.653 43.838-110.978 1.00 1.59 H new ATOM 0 HE ARG A 34 53.858 42.116-112.312 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.501 42.254-109.229 1.00 3.42 H new ATOM 0 HH12 ARG A 34 54.212 41.413-108.363 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.209 41.041-111.205 1.00 3.58 H new ATOM 0 HH22 ARG A 34 52.363 40.732-109.472 1.00 3.58 H new ATOM 317 N LEU A 35 59.306 39.667-112.545 1.00 0.50 N ATOM 318 CA LEU A 35 59.697 38.398-111.883 1.00 0.54 C ATOM 319 C LEU A 35 60.974 38.680-111.109 1.00 0.55 C ATOM 320 O LEU A 35 61.403 37.916-110.268 1.00 0.61 O ATOM 321 CB LEU A 35 59.949 37.314-112.932 1.00 0.57 C ATOM 322 CG LEU A 35 58.632 36.612-113.260 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.740 37.553-114.071 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.922 35.352-114.076 1.00 0.84 C ATOM 0 H LEU A 35 59.482 39.711-113.549 1.00 0.50 H new ATOM 0 HA LEU A 35 58.907 38.044-111.220 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.373 37.756-113.834 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.676 36.592-112.559 1.00 0.57 H new ATOM 0 HG LEU A 35 58.122 36.339-112.336 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.801 37.052-114.305 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.537 38.453-113.490 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.246 37.826-114.997 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.985 34.848-114.312 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.430 35.626-115.001 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.558 34.682-113.498 1.00 0.84 H new ATOM 336 N HIS A 36 61.570 39.803-111.394 1.00 0.53 N ATOM 337 CA HIS A 36 62.825 40.204-110.688 1.00 0.58 C ATOM 338 C HIS A 36 63.933 39.169-110.916 1.00 0.49 C ATOM 339 O HIS A 36 64.402 38.530-109.996 1.00 1.37 O ATOM 340 CB HIS A 36 62.548 40.329-109.188 1.00 0.98 C ATOM 341 CG HIS A 36 62.051 41.714-108.883 1.00 1.43 C ATOM 342 ND1 HIS A 36 60.937 42.402-109.297 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.737 42.577-108.042 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.930 43.670-108.724 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.036 43.723-107.977 1.00 2.17 N flip ATOM 0 H HIS A 36 61.240 40.469-112.093 1.00 0.53 H new ATOM 0 HA HIS A 36 63.156 41.162-111.087 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.808 39.590-108.881 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.456 40.124-108.621 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.223 42.039-109.929 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.665 42.367-107.532 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.189 44.445-108.855 1.00 2.32 H new ATOM 353 N LEU A 37 64.330 38.987-112.141 1.00 0.59 N ATOM 354 CA LEU A 37 65.387 37.972-112.419 1.00 0.43 C ATOM 355 C LEU A 37 66.752 38.637-112.221 1.00 0.44 C ATOM 356 O LEU A 37 67.000 39.712-112.731 1.00 0.42 O ATOM 357 CB LEU A 37 65.301 37.482-113.867 1.00 0.53 C ATOM 358 CG LEU A 37 63.855 37.175-114.247 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.057 38.478-114.307 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.834 36.507-115.624 1.00 0.82 C ATOM 0 H LEU A 37 63.976 39.489-112.955 1.00 0.59 H new ATOM 0 HA LEU A 37 65.252 37.124-111.747 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.705 38.240-114.537 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.913 36.588-113.991 1.00 0.53 H new ATOM 0 HG LEU A 37 63.412 36.511-113.505 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.024 38.260-114.578 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.081 38.965-113.332 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.496 39.140-115.054 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.805 36.284-115.904 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.273 37.179-116.361 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.409 35.582-115.588 1.00 0.82 H new ATOM 372 N PRO A 38 67.633 38.015-111.472 1.00 0.57 N ATOM 373 CA PRO A 38 68.975 38.597-111.213 1.00 0.66 C ATOM 374 C PRO A 38 69.604 39.134-112.489 1.00 0.58 C ATOM 375 O PRO A 38 69.301 38.674-113.563 1.00 0.52 O ATOM 376 CB PRO A 38 69.755 37.392-110.688 1.00 0.81 C ATOM 377 CG PRO A 38 68.748 36.297-110.308 1.00 0.82 C ATOM 378 CD PRO A 38 67.365 36.694-110.845 1.00 0.69 C ATOM 0 HA PRO A 38 68.954 39.444-110.527 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.446 37.026-111.448 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.354 37.675-109.822 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.055 35.339-110.727 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.713 36.175-109.225 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.987 35.971-111.567 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.625 36.765-110.048 1.00 0.69 H new ATOM 386 N PRO A 39 70.472 40.095-112.379 1.00 0.62 N ATOM 387 CA PRO A 39 71.126 40.662-113.579 1.00 0.60 C ATOM 388 C PRO A 39 71.672 39.560-114.486 1.00 0.53 C ATOM 389 O PRO A 39 71.420 39.532-115.662 1.00 0.51 O ATOM 390 CB PRO A 39 72.256 41.497-112.972 1.00 0.74 C ATOM 391 CG PRO A 39 72.052 41.565-111.450 1.00 0.81 C ATOM 392 CD PRO A 39 70.867 40.670-111.071 1.00 0.74 C ATOM 0 HA PRO A 39 70.452 41.238-114.212 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.223 41.051-113.205 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.257 42.500-113.399 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.954 41.237-110.933 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.863 42.593-111.140 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.153 39.897-110.357 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.057 41.240-110.616 1.00 0.74 H new ATOM 400 N VAL A 40 72.450 38.681-113.938 1.00 0.52 N ATOM 401 CA VAL A 40 73.065 37.588-114.740 1.00 0.47 C ATOM 402 C VAL A 40 71.993 36.869-115.555 1.00 0.41 C ATOM 403 O VAL A 40 72.060 36.782-116.774 1.00 0.37 O ATOM 404 CB VAL A 40 73.738 36.597-113.785 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.716 35.582-113.269 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.865 35.863-114.517 1.00 0.50 C ATOM 0 H VAL A 40 72.694 38.670-112.948 1.00 0.52 H new ATOM 0 HA VAL A 40 73.802 38.006-115.425 1.00 0.47 H new ATOM 0 HB VAL A 40 74.149 37.146-112.938 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.207 34.884-112.591 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.921 36.105-112.738 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.291 35.034-114.110 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.343 35.158-113.836 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.454 35.322-115.369 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.602 36.585-114.868 1.00 0.50 H new ATOM 416 N ARG A 41 70.993 36.368-114.902 1.00 0.42 N ATOM 417 CA ARG A 41 69.911 35.664-115.634 1.00 0.40 C ATOM 418 C ARG A 41 69.116 36.694-116.414 1.00 0.34 C ATOM 419 O ARG A 41 68.452 36.385-117.387 1.00 0.30 O ATOM 420 CB ARG A 41 68.994 34.950-114.640 1.00 0.46 C ATOM 421 CG ARG A 41 68.033 34.033-115.399 1.00 0.87 C ATOM 422 CD ARG A 41 67.015 33.440-114.423 1.00 1.00 C ATOM 423 NE ARG A 41 67.581 32.210-113.801 1.00 1.53 N ATOM 424 CZ ARG A 41 67.029 31.707-112.731 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.981 32.281-112.205 1.00 2.54 N ATOM 426 NH2 ARG A 41 67.524 30.629-112.186 1.00 3.12 N ATOM 0 H ARG A 41 70.875 36.414-113.890 1.00 0.42 H new ATOM 0 HA ARG A 41 70.336 34.924-116.312 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.588 34.368-113.935 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.433 35.681-114.058 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.520 34.593-116.180 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.588 33.235-115.892 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.767 34.169-113.652 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.089 33.202-114.947 1.00 1.00 H new ATOM 0 HE ARG A 41 68.400 31.761-114.212 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.593 33.123-112.630 1.00 2.54 H new ATOM 0 HH12 ARG A 41 65.550 31.887-111.369 1.00 2.54 H new ATOM 0 HH21 ARG A 41 68.343 30.180-112.597 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.092 30.236-111.350 1.00 3.12 H new ATOM 440 N LEU A 42 69.185 37.929-116.002 1.00 0.35 N ATOM 441 CA LEU A 42 68.435 38.974-116.734 1.00 0.30 C ATOM 442 C LEU A 42 69.244 39.366-117.961 1.00 0.31 C ATOM 443 O LEU A 42 68.710 39.839-118.934 1.00 0.49 O ATOM 444 CB LEU A 42 68.181 40.189-115.844 1.00 0.32 C ATOM 445 CG LEU A 42 66.930 40.918-116.349 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.674 40.196-115.871 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.914 42.344-115.796 1.00 0.60 C ATOM 0 H LEU A 42 69.723 38.253-115.198 1.00 0.35 H new ATOM 0 HA LEU A 42 67.462 38.587-117.036 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.044 39.877-114.809 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.041 40.858-115.864 1.00 0.32 H new ATOM 0 HG LEU A 42 66.949 40.936-117.439 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.791 40.722-116.235 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.673 39.176-116.255 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.659 40.174-114.781 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.025 42.863-116.154 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.901 42.312-114.707 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.805 42.875-116.132 1.00 0.60 H new ATOM 459 N ALA A 43 70.528 39.129-117.948 1.00 0.30 N ATOM 460 CA ALA A 43 71.345 39.434-119.142 1.00 0.30 C ATOM 461 C ALA A 43 71.069 38.297-120.106 1.00 0.29 C ATOM 462 O ALA A 43 71.045 38.451-121.302 1.00 0.28 O ATOM 463 CB ALA A 43 72.828 39.461-118.765 1.00 0.36 C ATOM 0 H ALA A 43 71.041 38.737-117.158 1.00 0.30 H new ATOM 0 HA ALA A 43 71.103 40.405-119.574 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.424 39.686-119.649 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.997 40.227-118.008 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.120 38.489-118.368 1.00 0.36 H new ATOM 469 N GLU A 44 70.840 37.142-119.554 1.00 0.30 N ATOM 470 CA GLU A 44 70.523 35.988-120.429 1.00 0.32 C ATOM 471 C GLU A 44 69.198 36.309-121.131 1.00 0.30 C ATOM 472 O GLU A 44 69.138 36.435-122.339 1.00 0.34 O ATOM 473 CB GLU A 44 70.383 34.717-119.588 1.00 0.37 C ATOM 474 CG GLU A 44 70.439 33.491-120.503 1.00 1.15 C ATOM 475 CD GLU A 44 69.462 32.429-119.995 1.00 2.05 C ATOM 476 OE1 GLU A 44 69.330 32.302-118.789 1.00 2.80 O ATOM 477 OE2 GLU A 44 68.861 31.762-120.822 1.00 2.92 O ATOM 0 H GLU A 44 70.858 36.950-118.552 1.00 0.30 H new ATOM 0 HA GLU A 44 71.316 35.820-121.158 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.181 34.668-118.848 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.441 34.733-119.040 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.185 33.775-121.524 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.451 33.087-120.526 1.00 1.15 H new ATOM 484 N LEU A 45 68.134 36.429-120.382 1.00 0.28 N ATOM 485 CA LEU A 45 66.799 36.731-120.996 1.00 0.29 C ATOM 486 C LEU A 45 66.788 38.131-121.633 1.00 0.24 C ATOM 487 O LEU A 45 66.158 38.351-122.648 1.00 0.25 O ATOM 488 CB LEU A 45 65.719 36.661-119.914 1.00 0.34 C ATOM 489 CG LEU A 45 64.351 36.959-120.531 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.632 35.646-120.847 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.512 37.770-119.541 1.00 0.77 C ATOM 0 H LEU A 45 68.128 36.331-119.367 1.00 0.28 H new ATOM 0 HA LEU A 45 66.602 35.995-121.775 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.714 35.672-119.455 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.936 37.379-119.123 1.00 0.34 H new ATOM 0 HG LEU A 45 64.486 37.529-121.450 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.658 35.861-121.286 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.228 35.065-121.552 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.498 35.075-119.929 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.537 37.983-119.979 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.380 37.198-118.622 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.021 38.707-119.315 1.00 0.77 H new ATOM 503 N HIS A 46 67.495 39.070-121.067 1.00 0.21 N ATOM 504 CA HIS A 46 67.527 40.436-121.673 1.00 0.20 C ATOM 505 C HIS A 46 68.366 40.375-122.952 1.00 0.19 C ATOM 506 O HIS A 46 67.952 40.811-124.008 1.00 0.21 O ATOM 507 CB HIS A 46 68.154 41.433-120.693 1.00 0.23 C ATOM 508 CG HIS A 46 68.063 42.825-121.259 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.015 43.705-121.367 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.162 43.477-121.796 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.454 44.885-121.961 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.753 44.694-122.200 1.00 0.31 N flip ATOM 0 H HIS A 46 68.049 38.955-120.218 1.00 0.21 H new ATOM 0 HA HIS A 46 66.513 40.764-121.900 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.640 41.386-119.733 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.196 41.172-120.510 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.060 43.522-121.059 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.164 43.081-121.876 1.00 0.27 H new ATOM 0 HE1 HIS A 46 66.869 45.766-122.181 1.00 0.35 H new ATOM 520 N ALA A 47 69.542 39.824-122.855 1.00 0.19 N ATOM 521 CA ALA A 47 70.434 39.706-124.043 1.00 0.22 C ATOM 522 C ALA A 47 69.696 38.961-125.149 1.00 0.21 C ATOM 523 O ALA A 47 69.498 39.472-126.233 1.00 0.22 O ATOM 524 CB ALA A 47 71.687 38.915-123.655 1.00 0.27 C ATOM 0 H ALA A 47 69.929 39.445-121.991 1.00 0.19 H new ATOM 0 HA ALA A 47 70.718 40.699-124.391 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.343 38.826-124.521 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.212 39.435-122.854 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.399 37.921-123.314 1.00 0.27 H new ATOM 530 N ASP A 48 69.271 37.762-124.880 1.00 0.22 N ATOM 531 CA ASP A 48 68.529 36.995-125.917 1.00 0.25 C ATOM 532 C ASP A 48 67.380 37.868-126.408 1.00 0.22 C ATOM 533 O ASP A 48 67.193 38.068-127.590 1.00 0.25 O ATOM 534 CB ASP A 48 67.977 35.704-125.310 1.00 0.28 C ATOM 535 CG ASP A 48 69.137 34.794-124.903 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.252 35.068-125.315 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.890 33.837-124.187 1.00 0.94 O ATOM 0 H ASP A 48 69.404 37.280-123.991 1.00 0.22 H new ATOM 0 HA ASP A 48 69.189 36.733-126.744 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.359 35.933-124.442 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.337 35.195-126.031 1.00 0.28 H new ATOM 542 N LEU A 49 66.622 38.404-125.496 1.00 0.19 N ATOM 543 CA LEU A 49 65.496 39.282-125.903 1.00 0.19 C ATOM 544 C LEU A 49 66.034 40.316-126.895 1.00 0.18 C ATOM 545 O LEU A 49 65.395 40.639-127.877 1.00 0.19 O ATOM 546 CB LEU A 49 64.902 39.977-124.677 1.00 0.18 C ATOM 547 CG LEU A 49 63.834 39.074-124.053 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.204 39.780-122.853 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.748 38.770-125.090 1.00 0.89 C ATOM 0 H LEU A 49 66.733 38.272-124.491 1.00 0.19 H new ATOM 0 HA LEU A 49 64.707 38.693-126.371 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.686 40.190-123.950 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.464 40.934-124.963 1.00 0.18 H new ATOM 0 HG LEU A 49 64.297 38.143-123.727 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.444 39.136-122.410 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.974 39.995-122.112 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.744 40.713-123.180 1.00 1.06 H new ATOM 0 HD21 LEU A 49 61.989 38.127-124.644 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.287 39.702-125.418 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.194 38.264-125.946 1.00 0.89 H new ATOM 561 N LYS A 50 67.222 40.819-126.666 1.00 0.20 N ATOM 562 CA LYS A 50 67.799 41.804-127.624 1.00 0.21 C ATOM 563 C LYS A 50 68.069 41.075-128.935 1.00 0.23 C ATOM 564 O LYS A 50 67.573 41.438-129.979 1.00 0.24 O ATOM 565 CB LYS A 50 69.116 42.362-127.074 1.00 0.24 C ATOM 566 CG LYS A 50 68.831 43.391-125.977 1.00 0.36 C ATOM 567 CD LYS A 50 70.047 43.509-125.055 1.00 0.84 C ATOM 568 CE LYS A 50 70.732 44.860-125.279 1.00 1.09 C ATOM 569 NZ LYS A 50 72.168 44.757-124.893 1.00 1.84 N ATOM 0 H LYS A 50 67.810 40.591-125.864 1.00 0.20 H new ATOM 0 HA LYS A 50 67.106 42.631-127.775 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.725 41.551-126.674 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.689 42.824-127.878 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.605 44.360-126.423 1.00 0.36 H new ATOM 0 HG3 LYS A 50 67.954 43.092-125.403 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.737 43.415-124.014 1.00 0.84 H new ATOM 0 HD3 LYS A 50 70.747 42.697-125.254 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.645 45.155-126.325 1.00 1.09 H new ATOM 0 HE3 LYS A 50 70.240 45.632-124.688 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.635 45.674-125.045 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 72.240 44.494-123.889 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 72.633 44.031-125.475 1.00 1.84 H new ATOM 583 N ILE A 51 68.852 40.037-128.883 1.00 0.25 N ATOM 584 CA ILE A 51 69.139 39.290-130.134 1.00 0.27 C ATOM 585 C ILE A 51 67.808 39.145-130.867 1.00 0.26 C ATOM 586 O ILE A 51 67.630 39.636-131.975 1.00 0.25 O ATOM 587 CB ILE A 51 69.703 37.906-129.801 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.213 38.015-129.584 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.423 36.948-130.959 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.494 39.006-128.455 1.00 0.30 C ATOM 0 H ILE A 51 69.300 39.677-128.040 1.00 0.25 H new ATOM 0 HA ILE A 51 69.874 39.813-130.746 1.00 0.27 H new ATOM 0 HB ILE A 51 69.229 37.527-128.895 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.627 37.038-129.336 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.700 38.345-130.502 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.825 35.963-130.722 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.347 36.873-131.117 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.897 37.324-131.865 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.570 39.085-128.299 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.093 39.984-128.721 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.019 38.657-127.538 1.00 0.30 H new ATOM 602 N GLN A 52 66.853 38.509-130.247 1.00 0.26 N ATOM 603 CA GLN A 52 65.530 38.375-130.893 1.00 0.27 C ATOM 604 C GLN A 52 65.026 39.774-131.243 1.00 0.24 C ATOM 605 O GLN A 52 64.239 39.943-132.139 1.00 0.26 O ATOM 606 CB GLN A 52 64.555 37.699-129.925 1.00 0.32 C ATOM 607 CG GLN A 52 63.435 37.021-130.715 1.00 0.45 C ATOM 608 CD GLN A 52 63.915 35.657-131.214 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.313 34.817-130.431 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.895 35.398-132.492 1.00 0.48 N ATOM 0 H GLN A 52 66.936 38.080-129.325 1.00 0.26 H new ATOM 0 HA GLN A 52 65.607 37.768-131.795 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.082 36.963-129.317 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.136 38.437-129.241 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.553 36.900-130.085 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.141 37.646-131.558 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.561 36.102-133.150 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.213 34.491-132.834 1.00 0.48 H new ATOM 619 N GLU A 53 65.472 40.785-130.537 1.00 0.23 N ATOM 620 CA GLU A 53 65.003 42.163-130.864 1.00 0.23 C ATOM 621 C GLU A 53 65.659 42.627-132.160 1.00 0.20 C ATOM 622 O GLU A 53 65.069 43.337-132.941 1.00 0.21 O ATOM 623 CB GLU A 53 65.371 43.145-129.759 1.00 0.25 C ATOM 624 CG GLU A 53 64.892 44.541-130.169 1.00 0.28 C ATOM 625 CD GLU A 53 66.065 45.522-130.113 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.177 45.101-130.384 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.832 46.678-129.797 1.00 1.09 O ATOM 0 H GLU A 53 66.130 40.716-129.761 1.00 0.23 H new ATOM 0 HA GLU A 53 63.918 42.135-130.968 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.908 42.847-128.818 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.449 43.147-129.598 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.476 44.513-131.176 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.095 44.873-129.504 1.00 0.28 H new ATOM 634 N ARG A 54 66.877 42.234-132.404 1.00 0.22 N ATOM 635 CA ARG A 54 67.549 42.659-133.660 1.00 0.22 C ATOM 636 C ARG A 54 66.882 41.941-134.823 1.00 0.20 C ATOM 637 O ARG A 54 66.732 42.471-135.908 1.00 0.21 O ATOM 638 CB ARG A 54 69.019 42.253-133.602 1.00 0.24 C ATOM 639 CG ARG A 54 69.776 43.212-132.686 1.00 0.27 C ATOM 640 CD ARG A 54 71.245 43.274-133.110 1.00 0.85 C ATOM 641 NE ARG A 54 71.385 44.184-134.281 1.00 1.55 N ATOM 642 CZ ARG A 54 72.564 44.619-134.631 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.620 44.255-133.958 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.687 45.420-135.655 1.00 3.03 N ATOM 0 H ARG A 54 67.434 41.639-131.790 1.00 0.22 H new ATOM 0 HA ARG A 54 67.472 43.739-133.785 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.111 41.232-133.233 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.452 42.270-134.602 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.331 44.206-132.735 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.699 42.879-131.651 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.859 43.631-132.283 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.603 42.277-133.366 1.00 0.85 H new ATOM 0 HE ARG A 54 70.559 44.467-134.809 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.524 43.630-133.158 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.542 44.595-134.232 1.00 2.40 H new ATOM 0 HH21 ARG A 54 71.861 45.706-136.181 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.609 45.760-135.929 1.00 3.03 H new ATOM 658 N ASP A 55 66.449 40.742-134.577 1.00 0.20 N ATOM 659 CA ASP A 55 65.758 39.966-135.645 1.00 0.21 C ATOM 660 C ASP A 55 64.284 40.381-135.698 1.00 0.21 C ATOM 661 O ASP A 55 63.687 40.486-136.756 1.00 0.20 O ATOM 662 CB ASP A 55 65.856 38.470-135.333 1.00 0.25 C ATOM 663 CG ASP A 55 67.320 38.032-135.388 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.162 38.878-135.636 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.573 36.856-135.182 1.00 0.84 O ATOM 0 H ASP A 55 66.542 40.262-133.682 1.00 0.20 H new ATOM 0 HA ASP A 55 66.230 40.167-136.607 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.441 38.266-134.346 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.267 37.899-136.051 1.00 0.25 H new ATOM 670 N GLU A 56 63.698 40.655-134.566 1.00 0.27 N ATOM 671 CA GLU A 56 62.277 41.082-134.552 1.00 0.32 C ATOM 672 C GLU A 56 62.196 42.495-135.099 1.00 0.30 C ATOM 673 O GLU A 56 61.415 42.782-135.979 1.00 0.31 O ATOM 674 CB GLU A 56 61.724 41.039-133.130 1.00 0.39 C ATOM 675 CG GLU A 56 61.719 39.595-132.628 1.00 0.44 C ATOM 676 CD GLU A 56 61.780 39.584-131.099 1.00 0.89 C ATOM 677 OE1 GLU A 56 62.707 40.164-130.557 1.00 1.72 O ATOM 678 OE2 GLU A 56 60.898 38.996-130.495 1.00 1.39 O ATOM 0 H GLU A 56 64.145 40.601-133.651 1.00 0.27 H new ATOM 0 HA GLU A 56 61.683 40.407-135.168 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.332 41.661-132.473 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.713 41.446-133.109 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.819 39.083-132.970 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.570 39.053-133.040 1.00 0.44 H new ATOM 685 N LEU A 57 63.022 43.378-134.627 1.00 0.30 N ATOM 686 CA LEU A 57 62.993 44.746-135.184 1.00 0.32 C ATOM 687 C LEU A 57 63.319 44.614-136.668 1.00 0.28 C ATOM 688 O LEU A 57 62.605 45.100-137.521 1.00 0.29 O ATOM 689 CB LEU A 57 64.044 45.621-134.497 1.00 0.36 C ATOM 690 CG LEU A 57 63.451 46.226-133.224 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.579 46.714-132.313 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.551 47.405-133.596 1.00 1.22 C ATOM 0 H LEU A 57 63.707 43.213-133.889 1.00 0.30 H new ATOM 0 HA LEU A 57 62.020 45.212-135.028 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.925 45.027-134.254 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.370 46.413-135.171 1.00 0.36 H new ATOM 0 HG LEU A 57 62.866 45.469-132.701 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.154 47.145-131.406 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.222 45.875-132.049 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.166 47.471-132.834 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.127 47.839-132.691 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.138 48.160-134.119 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.746 47.058-134.244 1.00 1.22 H new ATOM 704 N ALA A 58 64.375 43.909-136.988 1.00 0.25 N ATOM 705 CA ALA A 58 64.698 43.705-138.420 1.00 0.24 C ATOM 706 C ALA A 58 63.433 43.161-139.080 1.00 0.21 C ATOM 707 O ALA A 58 63.172 43.371-140.253 1.00 0.21 O ATOM 708 CB ALA A 58 65.837 42.694-138.562 1.00 0.24 C ATOM 0 H ALA A 58 65.016 43.474-136.325 1.00 0.25 H new ATOM 0 HA ALA A 58 65.018 44.637-138.887 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.067 42.551-139.618 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.721 43.067-138.045 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.536 41.742-138.124 1.00 0.24 H new ATOM 714 N TRP A 59 62.614 42.503-138.304 1.00 0.19 N ATOM 715 CA TRP A 59 61.345 41.994-138.874 1.00 0.18 C ATOM 716 C TRP A 59 60.386 43.169-139.067 1.00 0.20 C ATOM 717 O TRP A 59 59.973 43.460-140.172 1.00 0.30 O ATOM 718 CB TRP A 59 60.688 40.949-137.976 1.00 0.19 C ATOM 719 CG TRP A 59 59.502 40.424-138.713 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.544 39.459-139.657 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.113 40.838-138.610 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.273 39.258-140.150 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.350 40.081-139.530 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.445 41.785-137.814 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.973 40.259-139.657 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.059 41.967-137.938 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.325 41.205-138.857 1.00 0.39 C ATOM 0 H TRP A 59 62.769 42.301-137.316 1.00 0.19 H new ATOM 0 HA TRP A 59 61.571 41.513-139.826 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.386 40.144-137.746 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.387 41.391-137.026 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.431 38.930-139.974 1.00 0.26 H new ATOM 0 HE1 TRP A 59 58.041 38.586-140.881 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.002 42.376-137.102 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.411 39.671-140.368 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.556 42.698-137.322 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.258 41.349-138.947 1.00 0.39 H new ATOM 738 N LYS A 60 60.010 43.848-138.011 1.00 0.27 N ATOM 739 CA LYS A 60 59.069 44.984-138.197 1.00 0.30 C ATOM 740 C LYS A 60 59.527 45.757-139.432 1.00 0.29 C ATOM 741 O LYS A 60 58.729 46.253-140.207 1.00 0.31 O ATOM 742 CB LYS A 60 59.074 45.900-136.966 1.00 0.38 C ATOM 743 CG LYS A 60 60.218 46.913-137.062 1.00 0.42 C ATOM 744 CD LYS A 60 60.175 47.847-135.850 1.00 1.08 C ATOM 745 CE LYS A 60 58.854 48.619-135.847 1.00 1.53 C ATOM 746 NZ LYS A 60 59.019 49.883-135.076 1.00 2.27 N ATOM 0 H LYS A 60 60.308 43.668-137.052 1.00 0.27 H new ATOM 0 HA LYS A 60 58.051 44.615-138.326 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.121 46.424-136.890 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.183 45.303-136.061 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.176 46.394-137.101 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.131 47.490-137.983 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.274 47.271-134.930 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.014 48.542-135.883 1.00 1.08 H new ATOM 0 HE2 LYS A 60 58.548 48.841-136.869 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.066 48.010-135.404 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.121 50.408-135.074 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.292 49.660-134.098 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 59.759 50.465-135.518 1.00 2.27 H new ATOM 760 N LYS A 61 60.815 45.829-139.643 1.00 0.28 N ATOM 761 CA LYS A 61 61.327 46.533-140.845 1.00 0.30 C ATOM 762 C LYS A 61 61.107 45.630-142.056 1.00 0.27 C ATOM 763 O LYS A 61 60.904 46.099-143.157 1.00 0.35 O ATOM 764 CB LYS A 61 62.816 46.834-140.687 1.00 0.35 C ATOM 765 CG LYS A 61 63.072 47.434-139.302 1.00 0.40 C ATOM 766 CD LYS A 61 63.947 48.682-139.440 1.00 0.77 C ATOM 767 CE LYS A 61 64.400 49.144-138.054 1.00 1.42 C ATOM 768 NZ LYS A 61 63.581 50.313-137.627 1.00 2.43 N ATOM 0 H LYS A 61 61.530 45.430-139.034 1.00 0.28 H new ATOM 0 HA LYS A 61 60.799 47.478-140.976 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.398 45.921-140.812 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.142 47.528-141.462 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.126 47.691-138.825 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.563 46.701-138.662 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.814 48.464-140.064 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.390 49.477-139.936 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.295 48.331-137.336 1.00 1.42 H new ATOM 0 HE3 LYS A 61 65.456 49.415-138.076 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 63.889 50.627-136.685 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 63.703 51.090-138.308 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 62.578 50.039-137.590 1.00 2.43 H new ATOM 782 N LEU A 62 61.099 44.333-141.862 1.00 0.24 N ATOM 783 CA LEU A 62 60.835 43.421-143.010 1.00 0.24 C ATOM 784 C LEU A 62 59.400 43.644-143.463 1.00 0.24 C ATOM 785 O LEU A 62 59.136 44.057-144.576 1.00 0.26 O ATOM 786 CB LEU A 62 60.955 41.963-142.564 1.00 0.24 C ATOM 787 CG LEU A 62 62.400 41.482-142.678 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.627 40.338-141.690 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.649 40.974-144.099 1.00 0.41 C ATOM 0 H LEU A 62 61.263 43.874-140.966 1.00 0.24 H new ATOM 0 HA LEU A 62 61.551 43.624-143.806 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.613 41.863-141.534 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.308 41.335-143.177 1.00 0.24 H new ATOM 0 HG LEU A 62 63.081 42.303-142.455 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.657 39.990-141.767 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.437 40.690-140.676 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.949 39.517-141.922 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.679 40.629-144.187 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.970 40.149-144.314 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.475 41.782-144.810 1.00 0.41 H new ATOM 801 N LYS A 63 58.469 43.366-142.592 1.00 0.24 N ATOM 802 CA LYS A 63 57.041 43.550-142.942 1.00 0.26 C ATOM 803 C LYS A 63 56.829 44.981-143.427 1.00 0.29 C ATOM 804 O LYS A 63 56.013 45.238-144.290 1.00 0.30 O ATOM 805 CB LYS A 63 56.169 43.298-141.709 1.00 0.34 C ATOM 806 CG LYS A 63 56.091 44.577-140.869 1.00 0.46 C ATOM 807 CD LYS A 63 55.271 44.312-139.605 1.00 0.41 C ATOM 808 CE LYS A 63 54.271 45.451-139.398 1.00 0.58 C ATOM 809 NZ LYS A 63 54.988 46.756-139.442 1.00 1.20 N ATOM 0 H LYS A 63 58.642 43.018-141.649 1.00 0.24 H new ATOM 0 HA LYS A 63 56.764 42.846-143.727 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.169 42.989-142.014 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.586 42.485-141.115 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.094 44.910-140.601 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.634 45.378-141.450 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.744 43.362-139.693 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.931 44.231-138.741 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.503 45.420-140.171 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.764 45.335-138.440 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 54.589 47.396-138.726 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 55.998 46.604-139.246 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.878 47.181-140.385 1.00 1.20 H new ATOM 823 N LEU A 64 57.556 45.924-142.881 1.00 0.33 N ATOM 824 CA LEU A 64 57.394 47.338-143.312 1.00 0.43 C ATOM 825 C LEU A 64 57.933 47.524-144.730 1.00 0.52 C ATOM 826 O LEU A 64 57.272 48.077-145.586 1.00 0.75 O ATOM 827 CB LEU A 64 58.177 48.228-142.343 1.00 0.38 C ATOM 828 CG LEU A 64 57.287 48.604-141.158 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.143 49.219-140.050 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.236 49.618-141.613 1.00 1.23 C ATOM 0 H LEU A 64 58.255 45.771-142.154 1.00 0.33 H new ATOM 0 HA LEU A 64 56.338 47.607-143.306 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.066 47.705-141.991 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.518 49.128-142.855 1.00 0.38 H new ATOM 0 HG LEU A 64 56.791 47.711-140.779 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.508 49.487-139.206 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.892 48.497-139.726 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.640 50.113-140.428 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.601 49.887-140.769 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.732 50.511-141.993 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.625 49.179-142.402 1.00 1.23 H new ATOM 842 N ASP A 65 59.127 47.076-144.985 1.00 0.45 N ATOM 843 CA ASP A 65 59.709 47.234-146.347 1.00 0.60 C ATOM 844 C ASP A 65 59.022 46.270-147.314 1.00 0.96 C ATOM 845 O ASP A 65 59.213 46.341-148.512 1.00 0.98 O ATOM 846 CB ASP A 65 61.207 46.926-146.300 1.00 0.53 C ATOM 847 CG ASP A 65 61.936 48.046-145.554 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.313 49.063-145.298 1.00 1.31 O ATOM 849 OD2 ASP A 65 63.104 47.867-145.253 1.00 1.14 O ATOM 0 H ASP A 65 59.728 46.606-144.309 1.00 0.45 H new ATOM 0 HA ASP A 65 59.557 48.258-146.688 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.377 45.972-145.801 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.602 46.832-147.312 1.00 0.53 H new ATOM 854 N GLY A 66 58.219 45.374-146.811 1.00 1.30 N ATOM 855 CA GLY A 66 57.520 44.417-147.711 1.00 1.72 C ATOM 856 C GLY A 66 58.469 43.287-148.116 1.00 0.91 C ATOM 857 O GLY A 66 58.712 43.063-149.285 1.00 1.14 O ATOM 0 H GLY A 66 58.017 45.264-145.817 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.645 44.005-147.208 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.161 44.937-148.599 1.00 1.72 H new ATOM 861 N LEU A 67 58.997 42.560-147.167 1.00 0.37 N ATOM 862 CA LEU A 67 59.909 41.440-147.521 1.00 1.03 C ATOM 863 C LEU A 67 59.225 40.113-147.191 1.00 0.91 C ATOM 864 O LEU A 67 59.300 39.165-147.947 1.00 1.09 O ATOM 865 CB LEU A 67 61.223 41.575-146.751 1.00 1.69 C ATOM 866 CG LEU A 67 62.181 42.463-147.554 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.948 43.400-146.618 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.174 41.578-148.310 1.00 2.68 C ATOM 0 H LEU A 67 58.836 42.694-146.169 1.00 0.37 H new ATOM 0 HA LEU A 67 60.133 41.469-148.587 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.041 42.010-145.768 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.667 40.593-146.588 1.00 1.69 H new ATOM 0 HG LEU A 67 61.604 43.062-148.258 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.624 44.024-147.202 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.243 44.034-146.080 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.524 42.810-145.905 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.857 42.205-148.883 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.742 40.978-147.599 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.631 40.919-148.988 1.00 2.68 H new ATOM 880 N ASP A 68 58.500 40.056-146.107 1.00 0.69 N ATOM 881 CA ASP A 68 57.742 38.819-145.768 1.00 0.59 C ATOM 882 C ASP A 68 56.262 39.149-145.948 1.00 0.59 C ATOM 883 O ASP A 68 55.735 39.967-145.220 1.00 0.59 O ATOM 884 CB ASP A 68 58.005 38.417-144.311 1.00 0.53 C ATOM 885 CG ASP A 68 57.332 37.072-144.038 1.00 0.64 C ATOM 886 OD1 ASP A 68 56.725 36.539-144.952 1.00 0.97 O ATOM 887 OD2 ASP A 68 57.435 36.598-142.922 1.00 1.19 O ATOM 0 H ASP A 68 58.400 40.819-145.437 1.00 0.69 H new ATOM 0 HA ASP A 68 58.047 37.990-146.407 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.077 38.346-144.127 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.615 39.177-143.634 1.00 0.53 H new ATOM 892 N GLU A 69 55.557 38.560-146.879 1.00 0.63 N ATOM 893 CA GLU A 69 54.118 38.914-147.018 1.00 0.69 C ATOM 894 C GLU A 69 53.262 38.004-146.137 1.00 0.71 C ATOM 895 O GLU A 69 52.059 38.153-146.072 1.00 0.77 O ATOM 896 CB GLU A 69 53.696 38.748-148.479 1.00 0.73 C ATOM 897 CG GLU A 69 54.259 37.437-149.028 1.00 0.75 C ATOM 898 CD GLU A 69 53.746 37.218-150.454 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.600 36.826-150.597 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.510 37.446-151.378 1.00 1.82 O ATOM 0 H GLU A 69 55.908 37.863-147.536 1.00 0.63 H new ATOM 0 HA GLU A 69 53.974 39.948-146.705 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.609 38.750-148.557 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.059 39.588-149.071 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.349 37.466-149.023 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.959 36.605-148.391 1.00 0.75 H new ATOM 907 N ASP A 70 53.857 37.059-145.458 1.00 0.72 N ATOM 908 CA ASP A 70 53.053 36.152-144.594 1.00 0.78 C ATOM 909 C ASP A 70 53.585 36.228-143.163 1.00 0.69 C ATOM 910 O ASP A 70 53.047 35.628-142.254 1.00 0.84 O ATOM 911 CB ASP A 70 53.171 34.715-145.107 1.00 0.83 C ATOM 912 CG ASP A 70 52.708 34.656-146.565 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.348 35.694-147.093 1.00 1.34 O ATOM 914 OD2 ASP A 70 52.721 33.573-147.125 1.00 1.43 O ATOM 0 H ASP A 70 54.861 36.878-145.465 1.00 0.72 H new ATOM 0 HA ASP A 70 52.006 36.456-144.616 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.203 34.372-145.027 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.565 34.047-144.494 1.00 0.83 H new ATOM 919 N GLY A 71 54.626 36.986-142.959 1.00 0.50 N ATOM 920 CA GLY A 71 55.188 37.138-141.590 1.00 0.43 C ATOM 921 C GLY A 71 55.789 35.824-141.079 1.00 0.34 C ATOM 922 O GLY A 71 55.699 35.524-139.905 1.00 0.31 O ATOM 0 H GLY A 71 55.114 37.509-143.686 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.955 37.912-141.595 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.404 37.470-140.909 1.00 0.43 H new ATOM 926 N GLU A 72 56.423 35.041-141.914 1.00 0.36 N ATOM 927 CA GLU A 72 57.025 33.785-141.382 1.00 0.34 C ATOM 928 C GLU A 72 58.267 34.175-140.579 1.00 0.30 C ATOM 929 O GLU A 72 58.416 33.815-139.430 1.00 0.30 O ATOM 930 CB GLU A 72 57.423 32.869-142.541 1.00 0.40 C ATOM 931 CG GLU A 72 56.199 32.085-143.016 1.00 1.23 C ATOM 932 CD GLU A 72 56.594 31.175-144.180 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.756 31.192-144.551 1.00 2.64 O ATOM 934 OE2 GLU A 72 55.728 30.477-144.681 1.00 2.68 O ATOM 0 H GLU A 72 56.547 35.210-142.912 1.00 0.36 H new ATOM 0 HA GLU A 72 56.312 33.253-140.753 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.831 33.459-143.362 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.207 32.182-142.223 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.795 31.490-142.197 1.00 1.23 H new ATOM 0 HG3 GLU A 72 55.413 32.772-143.329 1.00 1.23 H new ATOM 941 N LYS A 73 59.154 34.929-141.172 1.00 0.31 N ATOM 942 CA LYS A 73 60.363 35.345-140.408 1.00 0.33 C ATOM 943 C LYS A 73 59.862 35.826-139.050 1.00 0.29 C ATOM 944 O LYS A 73 60.535 35.737-138.037 1.00 0.29 O ATOM 945 CB LYS A 73 61.119 36.464-141.131 1.00 0.38 C ATOM 946 CG LYS A 73 60.249 37.051-142.242 1.00 0.55 C ATOM 947 CD LYS A 73 60.463 36.247-143.527 1.00 1.07 C ATOM 948 CE LYS A 73 61.512 36.943-144.396 1.00 1.38 C ATOM 949 NZ LYS A 73 62.626 37.431-143.534 1.00 2.36 N ATOM 0 H LYS A 73 59.096 35.268-142.132 1.00 0.31 H new ATOM 0 HA LYS A 73 61.063 34.516-140.306 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.394 37.245-140.422 1.00 0.38 H new ATOM 0 HB3 LYS A 73 62.046 36.075-141.551 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.199 37.022-141.951 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.506 38.098-142.407 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.789 35.235-143.285 1.00 1.07 H new ATOM 0 HD3 LYS A 73 59.524 36.158-144.073 1.00 1.07 H new ATOM 0 HE2 LYS A 73 61.895 36.252-145.147 1.00 1.38 H new ATOM 0 HE3 LYS A 73 61.060 37.778-144.932 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.356 37.874-144.128 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.260 38.129-142.856 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.041 36.630-143.016 1.00 2.36 H new ATOM 963 N GLU A 74 58.630 36.253-139.023 1.00 0.28 N ATOM 964 CA GLU A 74 58.005 36.667-137.745 1.00 0.28 C ATOM 965 C GLU A 74 57.629 35.374-137.037 1.00 0.26 C ATOM 966 O GLU A 74 57.859 35.184-135.875 1.00 0.27 O ATOM 967 CB GLU A 74 56.739 37.471-138.031 1.00 0.31 C ATOM 968 CG GLU A 74 56.456 38.396-136.855 1.00 0.37 C ATOM 969 CD GLU A 74 54.963 38.362-136.520 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.191 37.981-137.385 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.618 38.718-135.406 1.00 1.14 O ATOM 0 H GLU A 74 58.027 36.332-139.842 1.00 0.28 H new ATOM 0 HA GLU A 74 58.675 37.284-137.147 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.862 38.052-138.945 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.896 36.799-138.192 1.00 0.31 H new ATOM 0 HG2 GLU A 74 57.040 38.087-135.988 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.761 39.414-137.099 1.00 0.37 H new ATOM 978 N ALA A 75 57.089 34.475-137.797 1.00 0.25 N ATOM 979 CA ALA A 75 56.729 33.149-137.232 1.00 0.27 C ATOM 980 C ALA A 75 57.967 32.669-136.500 1.00 0.26 C ATOM 981 O ALA A 75 57.978 32.534-135.296 1.00 0.27 O ATOM 982 CB ALA A 75 56.348 32.171-138.345 1.00 0.30 C ATOM 0 H ALA A 75 56.879 34.598-138.788 1.00 0.25 H new ATOM 0 HA ALA A 75 55.868 33.216-136.567 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.088 31.207-137.909 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.493 32.562-138.896 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.191 32.046-139.024 1.00 0.30 H new ATOM 988 N ARG A 76 59.014 32.416-137.218 1.00 0.28 N ATOM 989 CA ARG A 76 60.255 31.951-136.551 1.00 0.31 C ATOM 990 C ARG A 76 60.489 32.824-135.320 1.00 0.28 C ATOM 991 O ARG A 76 60.759 32.331-134.246 1.00 0.30 O ATOM 992 CB ARG A 76 61.439 32.075-137.513 1.00 0.35 C ATOM 993 CG ARG A 76 62.683 31.449-136.877 1.00 0.66 C ATOM 994 CD ARG A 76 63.903 31.742-137.751 1.00 1.00 C ATOM 995 NE ARG A 76 65.120 31.160-137.117 1.00 1.51 N ATOM 996 CZ ARG A 76 66.215 31.024-137.813 1.00 2.03 C ATOM 997 NH1 ARG A 76 66.245 31.396-139.063 1.00 2.34 N ATOM 998 NH2 ARG A 76 67.281 30.513-137.258 1.00 3.14 N ATOM 0 H ARG A 76 59.068 32.509-138.232 1.00 0.28 H new ATOM 0 HA ARG A 76 60.157 30.906-136.257 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.209 31.577-138.455 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.625 33.124-137.744 1.00 0.35 H new ATOM 0 HG2 ARG A 76 62.834 31.852-135.875 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.548 30.373-136.771 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.761 31.320-138.746 1.00 1.00 H new ATOM 0 HD3 ARG A 76 64.024 32.818-137.876 1.00 1.00 H new ATOM 0 HE ARG A 76 65.097 30.868-136.140 1.00 1.51 H new ATOM 0 HH11 ARG A 76 65.412 31.794-139.497 1.00 2.34 H new ATOM 0 HH12 ARG A 76 67.102 31.289-139.606 1.00 2.34 H new ATOM 0 HH21 ARG A 76 67.257 30.221-136.281 1.00 3.14 H new ATOM 0 HH22 ARG A 76 68.138 30.406-137.801 1.00 3.14 H new ATOM 1012 N LEU A 77 60.382 34.116-135.462 1.00 0.30 N ATOM 1013 CA LEU A 77 60.591 35.005-134.280 1.00 0.31 C ATOM 1014 C LEU A 77 59.636 34.599-133.156 1.00 0.29 C ATOM 1015 O LEU A 77 60.052 34.232-132.078 1.00 0.30 O ATOM 1016 CB LEU A 77 60.327 36.461-134.664 1.00 0.35 C ATOM 1017 CG LEU A 77 61.607 37.107-135.205 1.00 0.41 C ATOM 1018 CD1 LEU A 77 62.470 36.067-135.920 1.00 0.51 C ATOM 1019 CD2 LEU A 77 61.236 38.215-136.188 1.00 0.38 C ATOM 0 H LEU A 77 60.161 34.593-136.336 1.00 0.30 H new ATOM 0 HA LEU A 77 61.622 34.904-133.941 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.541 36.509-135.417 1.00 0.35 H new ATOM 0 HB3 LEU A 77 59.971 37.015-133.795 1.00 0.35 H new ATOM 0 HG LEU A 77 62.173 37.521-134.370 1.00 0.41 H new ATOM 0 HD11 LEU A 77 63.375 36.543-136.298 1.00 0.51 H new ATOM 0 HD12 LEU A 77 62.741 35.276-135.221 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.910 35.640-136.752 1.00 0.51 H new ATOM 0 HD21 LEU A 77 62.144 38.677-136.575 1.00 0.38 H new ATOM 0 HD22 LEU A 77 60.664 37.792-137.014 1.00 0.38 H new ATOM 0 HD23 LEU A 77 60.635 38.968-135.678 1.00 0.38 H new ATOM 1031 N ILE A 78 58.360 34.656-133.406 1.00 0.29 N ATOM 1032 CA ILE A 78 57.365 34.270-132.368 1.00 0.32 C ATOM 1033 C ILE A 78 57.734 32.907-131.803 1.00 0.30 C ATOM 1034 O ILE A 78 57.743 32.699-130.613 1.00 0.32 O ATOM 1035 CB ILE A 78 55.981 34.195-132.997 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.579 35.590-133.456 1.00 0.38 C ATOM 1037 CG2 ILE A 78 54.973 33.685-131.965 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.928 35.500-134.831 1.00 0.37 C ATOM 0 H ILE A 78 57.959 34.957-134.294 1.00 0.29 H new ATOM 0 HA ILE A 78 57.363 35.012-131.569 1.00 0.32 H new ATOM 0 HB ILE A 78 55.996 33.512-133.846 1.00 0.37 H new ATOM 0 HG12 ILE A 78 54.886 36.035-132.742 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.454 36.238-133.497 1.00 0.38 H new ATOM 0 HG21 ILE A 78 53.983 33.632-132.418 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.270 32.693-131.626 1.00 0.45 H new ATOM 0 HG23 ILE A 78 54.947 34.366-131.114 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.639 36.497-135.163 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.636 35.072-135.541 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.043 34.866-134.774 1.00 0.37 H new ATOM 1050 N ARG A 79 58.059 31.983-132.654 1.00 0.29 N ATOM 1051 CA ARG A 79 58.457 30.632-132.153 1.00 0.32 C ATOM 1052 C ARG A 79 59.756 30.776-131.351 1.00 0.26 C ATOM 1053 O ARG A 79 60.029 30.006-130.451 1.00 0.26 O ATOM 1054 CB ARG A 79 58.679 29.685-133.336 1.00 0.38 C ATOM 1055 CG ARG A 79 59.684 28.602-132.941 1.00 0.39 C ATOM 1056 CD ARG A 79 59.506 27.384-133.850 1.00 0.39 C ATOM 1057 NE ARG A 79 59.952 27.723-135.231 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.174 26.773-136.096 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.006 25.525-135.753 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.564 27.070-137.305 1.00 3.27 N ATOM 0 H ARG A 79 58.069 32.096-133.668 1.00 0.29 H new ATOM 0 HA ARG A 79 57.671 30.221-131.520 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.735 29.229-133.633 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.048 30.242-134.197 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.701 28.986-133.025 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.536 28.316-131.899 1.00 0.39 H new ATOM 0 HD2 ARG A 79 60.084 26.543-133.466 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.461 27.074-133.860 1.00 0.39 H new ATOM 0 HE ARG A 79 60.084 28.698-135.499 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.701 25.292-134.808 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.180 24.782-136.430 1.00 2.28 H new ATOM 0 HH21 ARG A 79 60.695 28.045-137.573 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.738 26.327-137.982 1.00 3.27 H new ATOM 1074 N ASN A 80 60.548 31.772-131.658 1.00 0.23 N ATOM 1075 CA ASN A 80 61.817 31.984-130.901 1.00 0.21 C ATOM 1076 C ASN A 80 61.487 32.724-129.609 1.00 0.21 C ATOM 1077 O ASN A 80 62.198 32.639-128.628 1.00 0.22 O ATOM 1078 CB ASN A 80 62.790 32.815-131.739 1.00 0.23 C ATOM 1079 CG ASN A 80 62.930 32.192-133.129 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.533 32.775-134.010 1.00 1.06 O ATOM 1081 ND2 ASN A 80 62.395 31.027-133.365 1.00 1.15 N ATOM 0 H ASN A 80 60.370 32.448-132.401 1.00 0.23 H new ATOM 0 HA ASN A 80 62.283 31.025-130.676 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.430 33.840-131.823 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.763 32.858-131.249 1.00 0.23 H new ATOM 0 HD21 ASN A 80 62.482 30.604-134.289 1.00 1.15 H new ATOM 0 HD22 ASN A 80 61.890 30.539-132.626 1.00 1.15 H new ATOM 1088 N LEU A 81 60.366 33.388-129.584 1.00 0.23 N ATOM 1089 CA LEU A 81 59.938 34.067-128.339 1.00 0.28 C ATOM 1090 C LEU A 81 59.323 32.973-127.490 1.00 0.30 C ATOM 1091 O LEU A 81 59.711 32.726-126.370 1.00 0.31 O ATOM 1092 CB LEU A 81 58.896 35.143-128.653 1.00 0.35 C ATOM 1093 CG LEU A 81 59.586 36.353-129.285 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.530 37.334-129.799 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.457 37.047-128.236 1.00 1.26 C ATOM 0 H LEU A 81 59.730 33.488-130.375 1.00 0.23 H new ATOM 0 HA LEU A 81 60.767 34.563-127.835 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.141 34.746-129.332 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.379 35.441-127.741 1.00 0.35 H new ATOM 0 HG LEU A 81 60.209 36.022-130.116 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.023 38.196-130.249 1.00 1.28 H new ATOM 0 HD12 LEU A 81 57.908 36.841-130.546 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.906 37.665-128.969 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.949 37.910-128.685 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.833 37.377-127.405 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.210 36.350-127.869 1.00 1.26 H new ATOM 1107 N ASN A 82 58.393 32.277-128.071 1.00 0.35 N ATOM 1108 CA ASN A 82 57.753 31.137-127.387 1.00 0.42 C ATOM 1109 C ASN A 82 58.849 30.282-126.765 1.00 0.37 C ATOM 1110 O ASN A 82 58.902 30.097-125.566 1.00 0.38 O ATOM 1111 CB ASN A 82 56.974 30.338-128.438 1.00 0.51 C ATOM 1112 CG ASN A 82 55.561 30.909-128.572 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.246 31.594-129.637 1.00 1.27 O flip ATOM 1114 ND2 ASN A 82 54.736 30.730-127.699 1.00 0.98 N flip ATOM 0 H ASN A 82 58.045 32.458-129.013 1.00 0.35 H new ATOM 0 HA ASN A 82 57.070 31.465-126.603 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.488 30.383-129.398 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.927 29.288-128.150 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.982 30.195-126.867 1.00 0.98 H new ATOM 0 HD22 ASN A 82 53.797 31.115-127.798 1.00 0.98 H new ATOM 1121 N VAL A 83 59.743 29.779-127.568 1.00 0.35 N ATOM 1122 CA VAL A 83 60.852 28.960-127.015 1.00 0.36 C ATOM 1123 C VAL A 83 61.542 29.767-125.916 1.00 0.32 C ATOM 1124 O VAL A 83 61.691 29.312-124.805 1.00 0.35 O ATOM 1125 CB VAL A 83 61.856 28.643-128.126 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.929 27.695-127.590 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.126 27.977-129.296 1.00 0.44 C ATOM 0 H VAL A 83 59.753 29.900-128.581 1.00 0.35 H new ATOM 0 HA VAL A 83 60.465 28.025-126.609 1.00 0.36 H new ATOM 0 HB VAL A 83 62.325 29.566-128.466 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.644 27.470-128.382 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.448 28.167-126.756 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.461 26.771-127.250 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.839 27.750-130.088 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.658 27.054-128.955 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.361 28.652-129.679 1.00 0.44 H new ATOM 1137 N ILE A 84 61.959 30.966-126.221 1.00 0.27 N ATOM 1138 CA ILE A 84 62.629 31.786-125.180 1.00 0.30 C ATOM 1139 C ILE A 84 61.835 31.660-123.880 1.00 0.31 C ATOM 1140 O ILE A 84 62.377 31.367-122.831 1.00 0.37 O ATOM 1141 CB ILE A 84 62.674 33.243-125.616 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.830 33.431-126.593 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.893 34.136-124.392 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.575 34.671-127.438 1.00 0.37 C ATOM 0 H ILE A 84 61.865 31.407-127.136 1.00 0.27 H new ATOM 0 HA ILE A 84 63.650 31.436-125.031 1.00 0.30 H new ATOM 0 HB ILE A 84 61.734 33.514-126.097 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.769 33.534-126.049 1.00 0.37 H new ATOM 0 HG13 ILE A 84 63.927 32.554-127.233 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.925 35.180-124.704 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.074 33.993-123.686 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.835 33.871-123.913 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.399 34.810-128.138 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.644 34.549-127.992 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.499 35.544-126.790 1.00 0.37 H new ATOM 1156 N LEU A 85 60.549 31.885-123.942 1.00 0.35 N ATOM 1157 CA LEU A 85 59.712 31.786-122.713 1.00 0.42 C ATOM 1158 C LEU A 85 59.746 30.358-122.174 1.00 0.42 C ATOM 1159 O LEU A 85 59.842 30.138-120.987 1.00 0.47 O ATOM 1160 CB LEU A 85 58.271 32.172-123.045 1.00 0.54 C ATOM 1161 CG LEU A 85 58.108 33.682-122.904 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.170 34.061-121.425 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.241 34.388-123.652 1.00 0.61 C ATOM 0 H LEU A 85 60.043 32.133-124.792 1.00 0.35 H new ATOM 0 HA LEU A 85 60.107 32.463-121.956 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.024 31.861-124.060 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.581 31.656-122.377 1.00 0.54 H new ATOM 0 HG LEU A 85 57.148 33.985-123.322 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.054 35.140-121.321 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.368 33.556-120.886 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.132 33.758-121.012 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.126 35.467-123.552 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.199 34.085-123.231 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.206 34.115-124.707 1.00 0.61 H new ATOM 1175 N ALA A 86 59.668 29.384-123.033 1.00 0.47 N ATOM 1176 CA ALA A 86 59.702 27.974-122.559 1.00 0.58 C ATOM 1177 C ALA A 86 61.101 27.670-122.015 1.00 0.59 C ATOM 1178 O ALA A 86 61.314 26.707-121.305 1.00 0.73 O ATOM 1179 CB ALA A 86 59.392 27.035-123.726 1.00 0.64 C ATOM 0 H ALA A 86 59.582 29.502-124.043 1.00 0.47 H new ATOM 0 HA ALA A 86 58.959 27.828-121.775 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.417 26.002-123.379 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.402 27.261-124.122 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.136 27.172-124.511 1.00 0.64 H new ATOM 1185 N LYS A 87 62.057 28.488-122.362 1.00 0.50 N ATOM 1186 CA LYS A 87 63.455 28.268-121.899 1.00 0.60 C ATOM 1187 C LYS A 87 63.626 28.839-120.498 1.00 0.58 C ATOM 1188 O LYS A 87 64.168 28.203-119.616 1.00 0.71 O ATOM 1189 CB LYS A 87 64.405 28.989-122.847 1.00 0.61 C ATOM 1190 CG LYS A 87 65.783 28.325-122.799 1.00 0.82 C ATOM 1191 CD LYS A 87 66.693 28.959-123.853 1.00 0.99 C ATOM 1192 CE LYS A 87 67.382 30.189-123.259 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.859 31.072-124.362 1.00 2.02 N ATOM 0 H LYS A 87 61.926 29.309-122.954 1.00 0.50 H new ATOM 0 HA LYS A 87 63.673 27.200-121.885 1.00 0.60 H new ATOM 0 HB2 LYS A 87 64.012 28.960-123.863 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.487 30.039-122.567 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.221 28.442-121.808 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.689 27.254-122.981 1.00 0.82 H new ATOM 0 HD2 LYS A 87 67.438 28.237-124.187 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.110 29.243-124.729 1.00 0.99 H new ATOM 0 HE2 LYS A 87 66.689 30.733-122.617 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.221 29.883-122.635 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.157 31.988-123.969 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.664 30.623-124.843 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 67.088 31.222-125.044 1.00 2.02 H new ATOM 1207 N TYR A 88 63.152 30.031-120.278 1.00 0.45 N ATOM 1208 CA TYR A 88 63.275 30.626-118.924 1.00 0.47 C ATOM 1209 C TYR A 88 62.138 30.082-118.074 1.00 0.54 C ATOM 1210 O TYR A 88 62.207 30.029-116.862 1.00 0.58 O ATOM 1211 CB TYR A 88 63.179 32.149-119.019 1.00 0.44 C ATOM 1212 CG TYR A 88 64.458 32.689-119.609 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.547 32.971-118.775 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.558 32.904-120.988 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.736 33.467-119.322 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.748 33.400-121.535 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.837 33.682-120.701 1.00 0.61 C ATOM 1218 OH TYR A 88 68.009 34.170-121.240 1.00 0.73 O ATOM 0 H TYR A 88 62.688 30.615-120.973 1.00 0.45 H new ATOM 0 HA TYR A 88 64.236 30.371-118.477 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.329 32.434-119.639 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.011 32.577-118.031 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.469 32.806-117.711 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.717 32.687-121.631 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.576 33.684-118.679 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.826 33.565-122.599 1.00 0.62 H new ATOM 0 HH TYR A 88 68.056 33.933-122.190 1.00 0.73 H new ATOM 1228 N GLY A 89 61.083 29.696-118.722 1.00 0.59 N ATOM 1229 CA GLY A 89 59.906 29.167-117.984 1.00 0.69 C ATOM 1230 C GLY A 89 59.075 30.354-117.506 1.00 0.77 C ATOM 1231 O GLY A 89 58.599 30.389-116.389 1.00 1.09 O ATOM 0 H GLY A 89 60.982 29.723-119.737 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.311 28.521-118.629 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.228 28.562-117.137 1.00 0.69 H new ATOM 1235 N LEU A 90 58.897 31.325-118.356 1.00 0.65 N ATOM 1236 CA LEU A 90 58.098 32.519-117.980 1.00 0.75 C ATOM 1237 C LEU A 90 56.795 32.516-118.777 1.00 0.80 C ATOM 1238 O LEU A 90 56.024 33.455-118.733 1.00 1.31 O ATOM 1239 CB LEU A 90 58.897 33.780-118.313 1.00 0.82 C ATOM 1240 CG LEU A 90 59.066 34.630-117.059 1.00 1.03 C ATOM 1241 CD1 LEU A 90 60.309 35.507-117.207 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.831 35.514-116.881 1.00 1.68 C ATOM 0 H LEU A 90 59.275 31.341-119.303 1.00 0.65 H new ATOM 0 HA LEU A 90 57.875 32.499-116.913 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.874 33.508-118.713 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.384 34.353-119.086 1.00 0.82 H new ATOM 0 HG LEU A 90 59.180 33.985-116.188 1.00 1.03 H new ATOM 0 HD11 LEU A 90 60.433 36.116-116.312 1.00 1.50 H new ATOM 0 HD12 LEU A 90 61.187 34.875-117.340 1.00 1.50 H new ATOM 0 HD13 LEU A 90 60.195 36.156-118.075 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.946 36.124-115.985 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.719 36.162-117.750 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.946 34.886-116.781 1.00 1.68 H new