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= -14.2! C(o=-14!,f=-22!) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.185 K(o=-14,f=-17!) USER MOD Set 2.1: A 46 HIS :FLIP no HE2:sc= -3.38 F(o=-7.7!,f=-3.8) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 144:sc= -0.46 (180deg=-2.16!) USER MOD Single : A 22 MET CE :methyl 147:sc= -0.0216 (180deg=-1.61!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -4.28! C(o=-4.3!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0681 F(o=-1.2,f=-0.068) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.253 F(o=-1.3,f=-0.25) USER MOD Single : A 60 LYS NZ :NH3+ 148:sc= -1.53 (180deg=-3.67!) USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0153) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= -0.669 (180deg=-2.98!) USER MOD Single : A 82 ASN : amide:sc= -0.716 X(o=-0.72,f=-0.28) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 157:sc= -4.61! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.873 49.606-123.645 1.00 0.57 N ATOM 24 CA GLU A 19 64.929 48.629-124.019 1.00 0.55 C ATOM 25 C GLU A 19 64.790 48.342-125.511 1.00 0.56 C ATOM 26 O GLU A 19 65.733 48.430-126.272 1.00 0.63 O ATOM 27 CB GLU A 19 64.748 47.337-123.211 1.00 0.45 C ATOM 28 CG GLU A 19 63.320 46.811-123.382 1.00 0.38 C ATOM 29 CD GLU A 19 62.327 47.837-122.840 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.692 48.557-121.925 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.217 47.885-123.346 1.00 2.06 O ATOM 0 HA GLU A 19 65.919 49.030-123.804 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.464 46.586-123.545 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.952 47.525-122.157 1.00 0.45 H new ATOM 0 HG2 GLU A 19 63.118 46.615-124.435 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.205 45.864-122.854 1.00 0.38 H new ATOM 38 N PHE A 20 63.606 48.006-125.923 1.00 0.51 N ATOM 39 CA PHE A 20 63.354 47.714-127.362 1.00 0.54 C ATOM 40 C PHE A 20 62.304 48.696-127.857 1.00 0.55 C ATOM 41 O PHE A 20 61.956 49.628-127.160 1.00 0.57 O ATOM 42 CB PHE A 20 62.834 46.285-127.510 1.00 0.52 C ATOM 43 CG PHE A 20 63.708 45.361-126.704 1.00 0.52 C ATOM 44 CD1 PHE A 20 65.042 45.163-127.069 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.183 44.711-125.586 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.853 44.309-126.311 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.992 43.860-124.825 1.00 0.51 C ATOM 48 CZ PHE A 20 65.328 43.658-125.187 1.00 0.56 C ATOM 0 H PHE A 20 62.789 47.919-125.319 1.00 0.51 H new ATOM 0 HA PHE A 20 64.272 47.814-127.941 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.802 46.222-127.166 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.839 45.989-128.559 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.447 45.667-127.934 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.151 44.865-125.308 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.884 44.152-126.593 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.585 43.359-123.959 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.954 43.001-124.601 1.00 0.56 H new ATOM 58 N ARG A 21 61.781 48.524-129.037 1.00 0.57 N ATOM 59 CA ARG A 21 60.753 49.477-129.523 1.00 0.60 C ATOM 60 C ARG A 21 59.533 48.674-129.952 1.00 0.57 C ATOM 61 O ARG A 21 58.622 49.179-130.578 1.00 0.59 O ATOM 62 CB ARG A 21 61.299 50.223-130.731 1.00 0.69 C ATOM 63 CG ARG A 21 62.568 50.982-130.338 1.00 0.74 C ATOM 64 CD ARG A 21 63.202 51.598-131.587 1.00 0.82 C ATOM 65 NE ARG A 21 62.142 52.236-132.418 1.00 1.35 N ATOM 66 CZ ARG A 21 62.470 53.070-133.367 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.727 53.344-133.590 1.00 2.06 N ATOM 68 NH2 ARG A 21 61.543 53.631-134.094 1.00 2.72 N ATOM 0 H ARG A 21 62.020 47.770-129.681 1.00 0.57 H new ATOM 0 HA ARG A 21 60.491 50.188-128.740 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.518 49.521-131.536 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.550 50.919-131.110 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.329 51.763-129.616 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.274 50.306-129.855 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.950 52.338-131.301 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.718 50.830-132.163 1.00 0.82 H new ATOM 0 HE ARG A 21 61.160 52.021-132.245 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.453 52.906-133.023 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.983 53.996-134.332 1.00 2.06 H new ATOM 0 HH21 ARG A 21 60.561 53.418-133.921 1.00 2.72 H new ATOM 0 HH22 ARG A 21 61.801 54.283-134.835 1.00 2.72 H new ATOM 82 N MET A 22 59.510 47.422-129.599 1.00 0.54 N ATOM 83 CA MET A 22 58.353 46.558-129.953 1.00 0.55 C ATOM 84 C MET A 22 57.532 46.317-128.687 1.00 0.49 C ATOM 85 O MET A 22 58.067 46.041-127.630 1.00 0.63 O ATOM 86 CB MET A 22 58.856 45.221-130.503 1.00 0.61 C ATOM 87 CG MET A 22 59.363 45.416-131.933 1.00 0.71 C ATOM 88 SD MET A 22 58.012 46.020-132.975 1.00 1.14 S ATOM 89 CE MET A 22 57.487 44.412-133.621 1.00 1.25 C ATOM 0 H MET A 22 60.251 46.956-129.075 1.00 0.54 H new ATOM 0 HA MET A 22 57.740 47.042-130.714 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.656 44.834-129.872 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.053 44.484-130.488 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.190 46.126-131.943 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.746 44.474-132.326 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.409 44.419-133.784 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.995 44.216-134.565 1.00 1.25 H new ATOM 0 HE3 MET A 22 57.740 43.631-132.904 1.00 1.25 H new ATOM 99 N GLU A 23 56.242 46.446-128.776 1.00 0.47 N ATOM 100 CA GLU A 23 55.398 46.256-127.569 1.00 0.46 C ATOM 101 C GLU A 23 55.541 44.839-127.016 1.00 0.50 C ATOM 102 O GLU A 23 55.638 44.655-125.819 1.00 0.50 O ATOM 103 CB GLU A 23 53.933 46.527-127.919 1.00 0.50 C ATOM 104 CG GLU A 23 53.781 47.971-128.398 1.00 1.45 C ATOM 105 CD GLU A 23 52.323 48.232-128.780 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.526 47.316-128.660 1.00 2.48 O ATOM 107 OE2 GLU A 23 52.028 49.344-129.187 1.00 2.68 O ATOM 0 H GLU A 23 55.735 46.675-129.631 1.00 0.47 H new ATOM 0 HA GLU A 23 55.731 46.957-126.804 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.600 45.838-128.696 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.302 46.354-127.047 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.091 48.660-127.613 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.430 48.151-129.255 1.00 1.45 H new ATOM 114 N LYS A 24 55.552 43.827-127.842 1.00 0.54 N ATOM 115 CA LYS A 24 55.685 42.449-127.299 1.00 0.59 C ATOM 116 C LYS A 24 56.923 42.363-126.417 1.00 0.53 C ATOM 117 O LYS A 24 56.850 41.991-125.262 1.00 0.55 O ATOM 118 CB LYS A 24 55.816 41.456-128.456 1.00 0.67 C ATOM 119 CG LYS A 24 56.861 41.968-129.449 1.00 0.64 C ATOM 120 CD LYS A 24 56.728 41.207-130.770 1.00 0.77 C ATOM 121 CE LYS A 24 55.640 41.858-131.628 1.00 1.46 C ATOM 122 NZ LYS A 24 55.579 41.177-132.952 1.00 2.09 N ATOM 0 H LYS A 24 55.476 43.895-128.857 1.00 0.54 H new ATOM 0 HA LYS A 24 54.802 42.208-126.708 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.107 40.476-128.078 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.855 41.332-128.954 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.725 43.036-129.617 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.862 41.835-129.040 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.679 41.214-131.303 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.478 40.164-130.577 1.00 0.77 H new ATOM 0 HE2 LYS A 24 54.675 41.788-131.126 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.853 42.919-131.762 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 54.840 41.618-133.536 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.498 41.266-133.431 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 55.356 40.170-132.815 1.00 2.09 H new ATOM 136 N LEU A 25 58.062 42.703-126.944 1.00 0.47 N ATOM 137 CA LEU A 25 59.310 42.642-126.140 1.00 0.42 C ATOM 138 C LEU A 25 59.162 43.478-124.874 1.00 0.39 C ATOM 139 O LEU A 25 59.355 43.003-123.782 1.00 0.55 O ATOM 140 CB LEU A 25 60.452 43.231-126.965 1.00 0.43 C ATOM 141 CG LEU A 25 61.091 42.159-127.843 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.140 42.656-129.290 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.513 41.901-127.343 1.00 1.03 C ATOM 0 H LEU A 25 58.183 43.023-127.905 1.00 0.47 H new ATOM 0 HA LEU A 25 59.511 41.605-125.873 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.076 44.042-127.588 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.203 43.660-126.302 1.00 0.43 H new ATOM 0 HG LEU A 25 60.509 41.239-127.797 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.596 41.893-129.921 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.128 42.859-129.640 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.731 43.570-129.341 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.983 41.136-127.961 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.092 42.822-127.402 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.479 41.560-126.308 1.00 1.03 H new ATOM 155 N ASN A 26 58.841 44.727-125.026 1.00 0.39 N ATOM 156 CA ASN A 26 58.707 45.588-123.818 1.00 0.37 C ATOM 157 C ASN A 26 57.826 44.850-122.807 1.00 0.40 C ATOM 158 O ASN A 26 58.197 44.625-121.672 1.00 0.40 O ATOM 159 CB ASN A 26 58.068 46.924-124.187 1.00 0.41 C ATOM 160 CG ASN A 26 58.761 47.484-125.429 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.462 46.772-126.120 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.598 48.739-125.744 1.00 0.45 N ATOM 0 H ASN A 26 58.667 45.187-125.919 1.00 0.39 H new ATOM 0 HA ASN A 26 59.690 45.789-123.392 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.003 46.791-124.378 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.158 47.626-123.358 1.00 0.41 H new ATOM 0 HD21 ASN A 26 59.059 49.122-126.570 1.00 0.45 H new ATOM 0 HD22 ASN A 26 58.010 49.338-125.165 1.00 0.45 H new ATOM 169 N GLN A 27 56.654 44.490-123.231 1.00 0.44 N ATOM 170 CA GLN A 27 55.707 43.776-122.333 1.00 0.50 C ATOM 171 C GLN A 27 56.437 42.639-121.618 1.00 0.47 C ATOM 172 O GLN A 27 56.429 42.558-120.404 1.00 0.48 O ATOM 173 CB GLN A 27 54.548 43.207-123.154 1.00 0.59 C ATOM 174 CG GLN A 27 53.465 44.276-123.321 1.00 0.58 C ATOM 175 CD GLN A 27 52.362 44.050-122.287 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.254 44.784-121.325 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.529 43.057-122.446 1.00 2.02 N ATOM 0 H GLN A 27 56.304 44.661-124.174 1.00 0.44 H new ATOM 0 HA GLN A 27 55.315 44.475-121.594 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.906 42.882-124.131 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.134 42.329-122.658 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.897 45.269-123.197 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.049 44.233-124.328 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.619 42.440-123.253 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.788 42.898-121.763 1.00 2.02 H new ATOM 186 N LEU A 28 57.071 41.756-122.344 1.00 0.47 N ATOM 187 CA LEU A 28 57.791 40.630-121.673 1.00 0.47 C ATOM 188 C LEU A 28 58.979 41.185-120.887 1.00 0.39 C ATOM 189 O LEU A 28 59.427 40.609-119.915 1.00 0.50 O ATOM 190 CB LEU A 28 58.305 39.653-122.733 1.00 0.50 C ATOM 191 CG LEU A 28 57.128 38.893-123.347 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.243 38.913-124.873 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.147 37.442-122.858 1.00 1.21 C ATOM 0 H LEU A 28 57.122 41.763-123.363 1.00 0.47 H new ATOM 0 HA LEU A 28 57.110 40.115-120.996 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.845 40.195-123.509 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.009 38.952-122.285 1.00 0.50 H new ATOM 0 HG LEU A 28 56.195 39.369-123.046 1.00 0.62 H new ATOM 0 HD11 LEU A 28 56.403 38.371-125.308 1.00 1.41 H new ATOM 0 HD12 LEU A 28 57.231 39.944-125.225 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.177 38.438-125.174 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.309 36.900-123.295 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.082 36.969-123.159 1.00 1.21 H new ATOM 0 HD23 LEU A 28 57.064 37.423-121.771 1.00 1.21 H new ATOM 205 N TRP A 29 59.478 42.307-121.306 1.00 0.37 N ATOM 206 CA TRP A 29 60.626 42.916-120.591 1.00 0.30 C ATOM 207 C TRP A 29 60.146 43.311-119.208 1.00 0.36 C ATOM 208 O TRP A 29 60.625 42.812-118.194 1.00 0.39 O ATOM 209 CB TRP A 29 61.132 44.146-121.344 1.00 0.32 C ATOM 210 CG TRP A 29 62.354 44.683-120.672 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.605 45.995-120.486 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.493 43.963-120.099 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.815 46.134-119.837 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.401 44.914-119.575 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.826 42.598-119.980 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.590 44.528-118.958 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.023 42.209-119.357 1.00 0.37 C ATOM 218 CH2 TRP A 29 65.902 43.173-118.846 1.00 0.41 C ATOM 0 H TRP A 29 59.141 42.830-122.114 1.00 0.37 H new ATOM 0 HA TRP A 29 61.450 42.206-120.523 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.360 43.883-122.377 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.356 44.911-121.373 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.963 46.806-120.795 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.226 47.032-119.582 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.156 41.846-120.371 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.266 45.274-118.569 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.267 41.161-119.271 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.820 42.867-118.366 1.00 0.41 H new ATOM 229 N GLU A 30 59.184 44.184-119.146 1.00 0.45 N ATOM 230 CA GLU A 30 58.637 44.598-117.838 1.00 0.56 C ATOM 231 C GLU A 30 58.241 43.353-117.046 1.00 0.50 C ATOM 232 O GLU A 30 58.438 43.275-115.850 1.00 0.52 O ATOM 233 CB GLU A 30 57.397 45.464-118.086 1.00 0.68 C ATOM 234 CG GLU A 30 57.820 46.925-118.253 1.00 0.86 C ATOM 235 CD GLU A 30 56.629 47.749-118.745 1.00 1.53 C ATOM 236 OE1 GLU A 30 56.204 47.527-119.867 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.163 48.588-117.993 1.00 2.06 O ATOM 0 H GLU A 30 58.752 44.630-119.955 1.00 0.45 H new ATOM 0 HA GLU A 30 59.380 45.163-117.275 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.874 45.121-118.979 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.701 45.369-117.252 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.182 47.320-117.304 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.644 46.997-118.963 1.00 0.86 H new ATOM 244 N LYS A 31 57.685 42.373-117.708 1.00 0.46 N ATOM 245 CA LYS A 31 57.279 41.132-116.996 1.00 0.45 C ATOM 246 C LYS A 31 58.500 40.523-116.308 1.00 0.43 C ATOM 247 O LYS A 31 58.491 40.265-115.118 1.00 0.46 O ATOM 248 CB LYS A 31 56.704 40.132-117.999 1.00 0.44 C ATOM 249 CG LYS A 31 55.223 39.892-117.693 1.00 0.91 C ATOM 250 CD LYS A 31 54.708 38.726-118.538 1.00 0.99 C ATOM 251 CE LYS A 31 54.748 39.110-120.019 1.00 1.36 C ATOM 252 NZ LYS A 31 53.426 38.819-120.644 1.00 2.08 N ATOM 0 H LYS A 31 57.496 42.381-118.710 1.00 0.46 H new ATOM 0 HA LYS A 31 56.521 41.370-116.250 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.819 40.512-119.014 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.254 39.192-117.947 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.091 39.673-116.633 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.646 40.792-117.907 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.319 37.840-118.365 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.689 38.473-118.245 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.987 40.168-120.125 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.534 38.553-120.529 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.453 39.080-121.650 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.216 37.804-120.555 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.686 39.370-120.163 1.00 2.08 H new ATOM 266 N ALA A 32 59.560 40.286-117.036 1.00 0.41 N ATOM 267 CA ALA A 32 60.754 39.696-116.382 1.00 0.41 C ATOM 268 C ALA A 32 61.127 40.579-115.197 1.00 0.41 C ATOM 269 O ALA A 32 61.077 40.152-114.055 1.00 0.42 O ATOM 270 CB ALA A 32 61.923 39.635-117.365 1.00 0.42 C ATOM 0 H ALA A 32 59.647 40.473-118.035 1.00 0.41 H new ATOM 0 HA ALA A 32 60.532 38.682-116.050 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.792 39.200-116.871 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.647 39.020-118.221 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.165 40.642-117.705 1.00 0.42 H new ATOM 276 N GLN A 33 61.498 41.813-115.427 1.00 0.43 N ATOM 277 CA GLN A 33 61.856 42.670-114.268 1.00 0.47 C ATOM 278 C GLN A 33 60.809 42.469-113.179 1.00 0.49 C ATOM 279 O GLN A 33 61.104 42.505-112.002 1.00 0.53 O ATOM 280 CB GLN A 33 61.881 44.136-114.703 1.00 0.51 C ATOM 281 CG GLN A 33 62.971 44.336-115.761 1.00 0.53 C ATOM 282 CD GLN A 33 62.746 45.668-116.480 1.00 0.75 C ATOM 283 OE1 GLN A 33 61.788 45.765-117.361 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.449 46.628-116.239 1.00 1.23 N flip ATOM 0 H GLN A 33 61.566 42.252-116.345 1.00 0.43 H new ATOM 0 HA GLN A 33 62.842 42.400-113.889 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.910 44.423-115.107 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.071 44.778-113.843 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.955 44.326-115.292 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.951 43.516-116.478 1.00 0.53 H new ATOM 0 HE21 GLN A 33 64.198 46.552-115.550 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.291 47.511-116.725 1.00 1.23 H new ATOM 293 N ARG A 34 59.582 42.250-113.567 1.00 0.49 N ATOM 294 CA ARG A 34 58.514 42.037-112.559 1.00 0.52 C ATOM 295 C ARG A 34 58.828 40.787-111.751 1.00 0.52 C ATOM 296 O ARG A 34 58.651 40.755-110.549 1.00 0.55 O ATOM 297 CB ARG A 34 57.171 41.866-113.264 1.00 0.56 C ATOM 298 CG ARG A 34 56.212 42.973-112.821 1.00 0.67 C ATOM 299 CD ARG A 34 55.803 42.738-111.366 1.00 1.59 C ATOM 300 NE ARG A 34 54.325 42.905-111.224 1.00 1.96 N ATOM 301 CZ ARG A 34 53.701 43.870-111.849 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.372 44.734-112.560 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.405 43.978-111.746 1.00 3.58 N ATOM 0 H ARG A 34 59.277 42.210-114.539 1.00 0.49 H new ATOM 0 HA ARG A 34 58.464 42.899-111.894 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.309 41.902-114.345 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.748 40.889-113.029 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.691 43.947-112.923 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.330 42.983-113.461 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.097 41.736-111.053 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.322 43.441-110.714 1.00 1.59 H new ATOM 0 HE ARG A 34 53.798 42.261-110.634 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.387 44.658-112.630 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.882 45.485-113.046 1.00 3.42 H new ATOM 0 HH21 ARG A 34 51.881 43.311-111.179 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.916 44.729-112.232 1.00 3.58 H new ATOM 317 N LEU A 35 59.327 39.766-112.385 1.00 0.50 N ATOM 318 CA LEU A 35 59.686 38.545-111.621 1.00 0.54 C ATOM 319 C LEU A 35 60.975 38.854-110.874 1.00 0.55 C ATOM 320 O LEU A 35 61.393 38.135-109.987 1.00 0.61 O ATOM 321 CB LEU A 35 59.904 37.372-112.579 1.00 0.57 C ATOM 322 CG LEU A 35 58.555 36.746-112.933 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.114 37.229-114.317 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.691 35.223-112.939 1.00 0.84 C ATOM 0 H LEU A 35 59.500 39.724-113.389 1.00 0.50 H new ATOM 0 HA LEU A 35 58.890 38.269-110.929 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.406 37.716-113.483 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.553 36.627-112.118 1.00 0.57 H new ATOM 0 HG LEU A 35 57.809 37.042-112.195 1.00 0.68 H new ATOM 0 HD11 LEU A 35 57.152 36.782-114.569 1.00 1.20 H new ATOM 0 HD12 LEU A 35 58.019 38.315-114.310 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.856 36.934-115.059 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.731 34.773-113.191 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.436 34.927-113.678 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.004 34.882-111.952 1.00 0.84 H new ATOM 336 N HIS A 36 61.592 39.943-111.236 1.00 0.53 N ATOM 337 CA HIS A 36 62.860 40.365-110.563 1.00 0.58 C ATOM 338 C HIS A 36 63.973 39.338-110.800 1.00 0.49 C ATOM 339 O HIS A 36 64.452 38.696-109.885 1.00 1.37 O ATOM 340 CB HIS A 36 62.616 40.517-109.059 1.00 0.98 C ATOM 341 CG HIS A 36 62.111 41.903-108.769 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.013 42.592-109.218 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.770 42.764-107.904 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.987 43.860-108.644 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.068 43.911-107.861 1.00 2.17 N flip ATOM 0 H HIS A 36 61.272 40.567-111.976 1.00 0.53 H new ATOM 0 HA HIS A 36 63.174 41.319-110.986 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.891 39.777-108.721 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.539 40.333-108.510 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.320 42.230-109.873 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.681 42.552-107.363 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.251 44.635-108.798 1.00 2.32 H new ATOM 353 N LEU A 37 64.381 39.185-112.024 1.00 0.59 N ATOM 354 CA LEU A 37 65.461 38.200-112.322 1.00 0.43 C ATOM 355 C LEU A 37 66.814 38.899-112.155 1.00 0.44 C ATOM 356 O LEU A 37 67.033 39.961-112.701 1.00 0.42 O ATOM 357 CB LEU A 37 65.363 37.698-113.763 1.00 0.53 C ATOM 358 CG LEU A 37 63.922 37.330-114.106 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.213 38.551-114.691 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.927 36.208-115.144 1.00 0.82 C ATOM 0 H LEU A 37 64.018 39.694-112.830 1.00 0.59 H new ATOM 0 HA LEU A 37 65.359 37.354-111.642 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.720 38.468-114.447 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.008 36.829-113.896 1.00 0.53 H new ATOM 0 HG LEU A 37 63.402 37.001-113.206 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.183 38.291-114.937 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.218 39.360-113.960 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.731 38.875-115.594 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.901 35.939-115.394 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.443 36.546-116.043 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.441 35.337-114.736 1.00 0.82 H new ATOM 372 N PRO A 38 67.723 38.315-111.412 1.00 0.57 N ATOM 373 CA PRO A 38 69.059 38.934-111.214 1.00 0.66 C ATOM 374 C PRO A 38 69.667 39.342-112.550 1.00 0.58 C ATOM 375 O PRO A 38 69.264 38.856-113.575 1.00 0.52 O ATOM 376 CB PRO A 38 69.859 37.796-110.578 1.00 0.81 C ATOM 377 CG PRO A 38 68.878 36.692-110.153 1.00 0.82 C ATOM 378 CD PRO A 38 67.495 37.013-110.733 1.00 0.69 C ATOM 0 HA PRO A 38 69.036 39.841-110.610 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.588 37.403-111.286 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.417 38.160-109.715 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.222 35.722-110.512 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.827 36.630-109.066 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.160 36.245-111.430 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.736 37.089-109.954 1.00 0.69 H new ATOM 386 N PRO A 39 70.623 40.220-112.548 1.00 0.62 N ATOM 387 CA PRO A 39 71.254 40.651-113.818 1.00 0.60 C ATOM 388 C PRO A 39 71.733 39.454-114.645 1.00 0.53 C ATOM 389 O PRO A 39 71.505 39.370-115.824 1.00 0.51 O ATOM 390 CB PRO A 39 72.432 41.496-113.332 1.00 0.74 C ATOM 391 CG PRO A 39 72.330 41.658-111.807 1.00 0.81 C ATOM 392 CD PRO A 39 71.142 40.832-111.300 1.00 0.74 C ATOM 0 HA PRO A 39 70.572 41.190-114.476 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.375 41.018-113.598 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.422 42.472-113.817 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.252 41.325-111.330 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.198 42.708-111.547 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.451 40.078-110.576 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.393 41.455-110.811 1.00 0.74 H new ATOM 400 N VAL A 40 72.442 38.565-114.028 1.00 0.52 N ATOM 401 CA VAL A 40 73.002 37.383-114.747 1.00 0.47 C ATOM 402 C VAL A 40 71.903 36.638-115.506 1.00 0.41 C ATOM 403 O VAL A 40 71.987 36.413-116.703 1.00 0.37 O ATOM 404 CB VAL A 40 73.643 36.443-113.721 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.579 35.520-113.121 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.726 35.604-114.400 1.00 0.50 C ATOM 0 H VAL A 40 72.666 38.602-113.034 1.00 0.52 H new ATOM 0 HA VAL A 40 73.745 37.723-115.468 1.00 0.47 H new ATOM 0 HB VAL A 40 74.090 37.037-112.924 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.043 34.855-112.393 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.813 36.119-112.629 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.122 34.928-113.914 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.181 34.936-113.669 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.281 35.015-115.202 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.490 36.262-114.814 1.00 0.50 H new ATOM 416 N ARG A 41 70.864 36.268-114.824 1.00 0.42 N ATOM 417 CA ARG A 41 69.756 35.543-115.502 1.00 0.40 C ATOM 418 C ARG A 41 68.930 36.548-116.290 1.00 0.34 C ATOM 419 O ARG A 41 68.278 36.219-117.271 1.00 0.30 O ATOM 420 CB ARG A 41 68.870 34.856-114.461 1.00 0.46 C ATOM 421 CG ARG A 41 68.055 33.751-115.136 1.00 0.87 C ATOM 422 CD ARG A 41 66.980 33.246-114.173 1.00 1.00 C ATOM 423 NE ARG A 41 66.973 31.752-114.166 1.00 1.53 N ATOM 424 CZ ARG A 41 67.113 31.081-115.279 1.00 2.18 C ATOM 425 NH1 ARG A 41 67.195 31.708-116.421 1.00 2.54 N ATOM 426 NH2 ARG A 41 67.152 29.777-115.251 1.00 3.12 N ATOM 0 H ARG A 41 70.730 36.434-113.827 1.00 0.42 H new ATOM 0 HA ARG A 41 70.165 34.786-116.171 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.485 34.435-113.665 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.203 35.583-113.998 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.592 34.131-116.047 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.709 32.930-115.430 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.172 33.623-113.168 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.002 33.623-114.474 1.00 1.00 H new ATOM 0 HE ARG A 41 66.858 31.251-113.285 1.00 1.53 H new ATOM 0 HH11 ARG A 41 67.150 32.727-116.448 1.00 2.54 H new ATOM 0 HH12 ARG A 41 67.304 31.179-117.286 1.00 2.54 H new ATOM 0 HH21 ARG A 41 67.073 29.283-114.362 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.261 29.251-116.118 1.00 3.12 H new ATOM 440 N LEU A 42 68.971 37.783-115.879 1.00 0.35 N ATOM 441 CA LEU A 42 68.197 38.819-116.605 1.00 0.30 C ATOM 442 C LEU A 42 68.962 39.193-117.864 1.00 0.31 C ATOM 443 O LEU A 42 68.396 39.667-118.815 1.00 0.49 O ATOM 444 CB LEU A 42 67.982 40.050-115.722 1.00 0.32 C ATOM 445 CG LEU A 42 66.850 40.904-116.304 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.494 40.304-115.942 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.934 42.319-115.729 1.00 0.60 C ATOM 0 H LEU A 42 69.504 38.116-115.076 1.00 0.35 H new ATOM 0 HA LEU A 42 67.215 38.428-116.870 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.735 39.743-114.706 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.900 40.634-115.664 1.00 0.32 H new ATOM 0 HG LEU A 42 66.954 40.932-117.389 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.699 40.921-116.362 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.423 39.295-116.348 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.390 40.267-114.858 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.130 42.928-116.142 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.837 42.277-114.644 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.895 42.762-115.991 1.00 0.60 H new ATOM 459 N ALA A 43 70.240 38.936-117.896 1.00 0.30 N ATOM 460 CA ALA A 43 71.027 39.226-119.118 1.00 0.30 C ATOM 461 C ALA A 43 70.853 38.013-120.010 1.00 0.29 C ATOM 462 O ALA A 43 70.797 38.096-121.211 1.00 0.28 O ATOM 463 CB ALA A 43 72.504 39.415-118.763 1.00 0.36 C ATOM 0 H ALA A 43 70.772 38.536-117.123 1.00 0.30 H new ATOM 0 HA ALA A 43 70.693 40.140-119.608 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.072 39.627-119.669 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.607 40.247-118.067 1.00 0.36 H new ATOM 0 HB3 ALA A 43 72.886 38.505-118.300 1.00 0.36 H new ATOM 469 N GLU A 44 70.729 36.879-119.399 1.00 0.30 N ATOM 470 CA GLU A 44 70.500 35.665-120.213 1.00 0.32 C ATOM 471 C GLU A 44 69.231 35.948-121.022 1.00 0.30 C ATOM 472 O GLU A 44 69.248 36.019-122.235 1.00 0.34 O ATOM 473 CB GLU A 44 70.302 34.448-119.309 1.00 0.37 C ATOM 474 CG GLU A 44 71.652 34.011-118.735 1.00 1.15 C ATOM 475 CD GLU A 44 72.539 33.482-119.864 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.011 33.213-120.930 1.00 2.80 O ATOM 477 OE2 GLU A 44 73.733 33.357-119.643 1.00 2.92 O ATOM 0 H GLU A 44 70.775 36.739-118.390 1.00 0.30 H new ATOM 0 HA GLU A 44 71.348 35.444-120.861 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.613 34.691-118.500 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.854 33.631-119.875 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.138 34.852-118.240 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.505 33.238-117.981 1.00 1.15 H new ATOM 484 N LEU A 45 68.132 36.127-120.340 1.00 0.28 N ATOM 485 CA LEU A 45 66.843 36.426-121.044 1.00 0.29 C ATOM 486 C LEU A 45 66.920 37.809-121.720 1.00 0.24 C ATOM 487 O LEU A 45 66.702 37.948-122.901 1.00 0.25 O ATOM 488 CB LEU A 45 65.703 36.423-120.021 1.00 0.34 C ATOM 489 CG LEU A 45 64.385 36.788-120.712 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.618 35.514-121.064 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.539 37.646-119.769 1.00 0.77 C ATOM 0 H LEU A 45 68.067 36.080-119.323 1.00 0.28 H new ATOM 0 HA LEU A 45 66.662 35.668-121.806 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.621 35.440-119.557 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.916 37.135-119.224 1.00 0.34 H new ATOM 0 HG LEU A 45 64.597 37.345-121.624 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.681 35.777-121.555 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.220 34.901-121.735 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.405 34.954-120.153 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.601 37.907-120.258 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.330 37.086-118.857 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.083 38.557-119.519 1.00 0.77 H new ATOM 503 N HIS A 46 67.227 38.821-120.960 1.00 0.21 N ATOM 504 CA HIS A 46 67.314 40.194-121.554 1.00 0.20 C ATOM 505 C HIS A 46 68.154 40.107-122.832 1.00 0.19 C ATOM 506 O HIS A 46 67.762 40.564-123.890 1.00 0.21 O ATOM 507 CB HIS A 46 67.967 41.178-120.582 1.00 0.23 C ATOM 508 CG HIS A 46 68.017 42.545-121.210 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.038 43.467-121.488 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.206 43.117-121.636 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.607 44.592-122.078 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.915 44.328-122.144 1.00 0.31 N flip ATOM 0 H HIS A 46 67.421 38.764-119.960 1.00 0.21 H new ATOM 0 HA HIS A 46 66.309 40.555-121.771 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.402 41.214-119.650 1.00 0.23 H new ATOM 0 HB3 HIS A 46 68.974 40.844-120.331 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.044 43.346-121.292 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.188 42.671-121.572 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.100 45.486-122.411 1.00 0.35 H new ATOM 520 N ALA A 47 69.306 39.510-122.732 1.00 0.19 N ATOM 521 CA ALA A 47 70.195 39.364-123.917 1.00 0.22 C ATOM 522 C ALA A 47 69.420 38.692-125.043 1.00 0.21 C ATOM 523 O ALA A 47 69.266 39.234-126.119 1.00 0.22 O ATOM 524 CB ALA A 47 71.400 38.492-123.548 1.00 0.27 C ATOM 0 H ALA A 47 69.675 39.111-121.869 1.00 0.19 H new ATOM 0 HA ALA A 47 70.540 40.347-124.238 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.051 38.385-124.416 1.00 0.27 H new ATOM 0 HB2 ALA A 47 71.953 38.962-122.735 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.054 37.508-123.231 1.00 0.27 H new ATOM 530 N ASP A 48 68.919 37.517-124.801 1.00 0.22 N ATOM 531 CA ASP A 48 68.140 36.818-125.858 1.00 0.25 C ATOM 532 C ASP A 48 67.091 37.785-126.397 1.00 0.22 C ATOM 533 O ASP A 48 66.930 37.951-127.588 1.00 0.25 O ATOM 534 CB ASP A 48 67.453 35.587-125.264 1.00 0.28 C ATOM 535 CG ASP A 48 68.505 34.652-124.664 1.00 0.31 C ATOM 536 OD1 ASP A 48 69.672 35.006-124.701 1.00 0.94 O ATOM 537 OD2 ASP A 48 68.127 33.600-124.176 1.00 0.84 O ATOM 0 H ASP A 48 69.014 37.011-123.921 1.00 0.22 H new ATOM 0 HA ASP A 48 68.801 36.495-126.662 1.00 0.25 H new ATOM 0 HB2 ASP A 48 66.741 35.890-124.496 1.00 0.28 H new ATOM 0 HB3 ASP A 48 66.887 35.066-126.036 1.00 0.28 H new ATOM 542 N LEU A 49 66.388 38.439-125.516 1.00 0.19 N ATOM 543 CA LEU A 49 65.361 39.412-125.963 1.00 0.19 C ATOM 544 C LEU A 49 66.017 40.385-126.937 1.00 0.18 C ATOM 545 O LEU A 49 65.417 40.798-127.907 1.00 0.19 O ATOM 546 CB LEU A 49 64.795 40.167-124.758 1.00 0.18 C ATOM 547 CG LEU A 49 63.977 39.205-123.892 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.225 39.995-122.821 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.967 38.452-124.765 1.00 0.89 C ATOM 0 H LEU A 49 66.482 38.340-124.505 1.00 0.19 H new ATOM 0 HA LEU A 49 64.539 38.892-126.455 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.606 40.600-124.173 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.168 40.993-125.094 1.00 0.18 H new ATOM 0 HG LEU A 49 64.650 38.491-123.418 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.643 39.310-122.205 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.939 40.529-122.194 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.556 40.710-123.299 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.388 37.769-124.144 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.296 39.166-125.243 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.498 37.885-125.530 1.00 0.89 H new ATOM 561 N LYS A 50 67.259 40.733-126.711 1.00 0.20 N ATOM 562 CA LYS A 50 67.941 41.649-127.666 1.00 0.21 C ATOM 563 C LYS A 50 68.149 40.878-128.966 1.00 0.23 C ATOM 564 O LYS A 50 67.700 41.271-130.020 1.00 0.24 O ATOM 565 CB LYS A 50 69.300 42.081-127.105 1.00 0.24 C ATOM 566 CG LYS A 50 69.098 43.081-125.963 1.00 0.36 C ATOM 567 CD LYS A 50 70.326 43.071-125.045 1.00 0.84 C ATOM 568 CE LYS A 50 71.149 44.339-125.281 1.00 1.09 C ATOM 569 NZ LYS A 50 70.265 45.533-125.165 1.00 1.84 N ATOM 0 H LYS A 50 67.821 40.426-125.917 1.00 0.20 H new ATOM 0 HA LYS A 50 67.339 42.542-127.832 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.848 41.210-126.745 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.902 42.533-127.894 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.941 44.082-126.366 1.00 0.36 H new ATOM 0 HG3 LYS A 50 68.205 42.823-125.394 1.00 0.36 H new ATOM 0 HD2 LYS A 50 70.013 43.016-124.002 1.00 0.84 H new ATOM 0 HD3 LYS A 50 70.934 42.188-125.242 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.959 44.401-124.554 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.609 44.308-126.269 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 70.793 46.314-124.726 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 69.944 45.821-126.112 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 69.440 45.298-124.577 1.00 1.84 H new ATOM 583 N ILE A 51 68.824 39.768-128.887 1.00 0.25 N ATOM 584 CA ILE A 51 69.045 38.972-130.122 1.00 0.27 C ATOM 585 C ILE A 51 67.713 38.945-130.866 1.00 0.26 C ATOM 586 O ILE A 51 67.591 39.427-131.987 1.00 0.25 O ATOM 587 CB ILE A 51 69.469 37.548-129.756 1.00 0.33 C ATOM 588 CG1 ILE A 51 70.969 37.525-129.458 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.169 36.609-130.926 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.286 38.552-128.369 1.00 0.30 C ATOM 0 H ILE A 51 69.227 39.382-128.033 1.00 0.25 H new ATOM 0 HA ILE A 51 69.832 39.408-130.738 1.00 0.27 H new ATOM 0 HB ILE A 51 68.917 37.220-128.876 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.271 36.529-129.134 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.534 37.751-130.362 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.471 35.595-130.665 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.101 36.625-131.141 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.721 36.937-131.807 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.355 38.537-128.155 1.00 0.30 H new ATOM 0 HD12 ILE A 51 70.998 39.546-128.711 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.731 38.305-127.464 1.00 0.30 H new ATOM 602 N GLN A 52 66.692 38.419-130.245 1.00 0.26 N ATOM 603 CA GLN A 52 65.367 38.403-130.901 1.00 0.27 C ATOM 604 C GLN A 52 64.995 39.836-131.267 1.00 0.24 C ATOM 605 O GLN A 52 64.246 40.062-132.179 1.00 0.26 O ATOM 606 CB GLN A 52 64.325 37.829-129.941 1.00 0.32 C ATOM 607 CG GLN A 52 63.016 37.592-130.694 1.00 0.45 C ATOM 608 CD GLN A 52 62.981 36.155-131.214 1.00 0.62 C ATOM 609 OE1 GLN A 52 62.271 35.322-130.684 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.721 35.826-132.237 1.00 0.48 N ATOM 0 H GLN A 52 66.724 38.002-129.315 1.00 0.26 H new ATOM 0 HA GLN A 52 65.399 37.783-131.797 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.685 36.894-129.513 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.161 38.517-129.112 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.167 37.772-130.035 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.929 38.293-131.524 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.316 36.525-132.681 1.00 0.48 H new ATOM 0 HE22 GLN A 52 63.704 34.870-132.592 1.00 0.48 H new ATOM 619 N GLU A 53 65.495 40.809-130.547 1.00 0.23 N ATOM 620 CA GLU A 53 65.144 42.221-130.881 1.00 0.23 C ATOM 621 C GLU A 53 65.815 42.603-132.197 1.00 0.20 C ATOM 622 O GLU A 53 65.262 43.321-132.997 1.00 0.21 O ATOM 623 CB GLU A 53 65.625 43.175-129.792 1.00 0.25 C ATOM 624 CG GLU A 53 65.315 44.613-130.221 1.00 0.28 C ATOM 625 CD GLU A 53 66.544 45.500-129.990 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.549 44.982-129.532 1.00 1.04 O ATOM 627 OE2 GLU A 53 66.458 46.683-130.276 1.00 1.09 O ATOM 0 H GLU A 53 66.123 40.689-129.752 1.00 0.23 H new ATOM 0 HA GLU A 53 64.060 42.298-130.963 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.131 42.949-128.847 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.696 43.052-129.629 1.00 0.25 H new ATOM 0 HG2 GLU A 53 65.032 44.635-131.273 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.467 44.996-129.654 1.00 0.28 H new ATOM 634 N ARG A 54 67.006 42.132-132.430 1.00 0.22 N ATOM 635 CA ARG A 54 67.697 42.473-133.701 1.00 0.22 C ATOM 636 C ARG A 54 66.976 41.782-134.849 1.00 0.20 C ATOM 637 O ARG A 54 66.870 42.298-135.947 1.00 0.21 O ATOM 638 CB ARG A 54 69.132 41.960-133.638 1.00 0.24 C ATOM 639 CG ARG A 54 69.962 42.883-132.750 1.00 0.27 C ATOM 640 CD ARG A 54 71.414 42.886-133.231 1.00 0.85 C ATOM 641 NE ARG A 54 72.031 41.558-132.955 1.00 1.55 N ATOM 642 CZ ARG A 54 73.152 41.226-133.535 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.733 42.056-134.357 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.691 40.062-133.293 1.00 3.03 N ATOM 0 H ARG A 54 67.530 41.527-131.797 1.00 0.22 H new ATOM 0 HA ARG A 54 67.695 43.553-133.851 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.150 40.944-133.243 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.560 41.920-134.640 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.556 43.894-132.779 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.912 42.549-131.714 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.454 43.103-134.298 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.975 43.672-132.725 1.00 0.85 H new ATOM 0 HE ARG A 54 71.577 40.908-132.313 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.311 42.965-134.547 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.609 41.796-134.810 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.236 39.413-132.651 1.00 3.03 H new ATOM 0 HH22 ARG A 54 74.567 39.802-133.746 1.00 3.03 H new ATOM 658 N ASP A 55 66.448 40.628-134.580 1.00 0.20 N ATOM 659 CA ASP A 55 65.698 39.890-135.640 1.00 0.21 C ATOM 660 C ASP A 55 64.252 40.397-135.688 1.00 0.21 C ATOM 661 O ASP A 55 63.656 40.532-136.744 1.00 0.20 O ATOM 662 CB ASP A 55 65.705 38.394-135.320 1.00 0.25 C ATOM 663 CG ASP A 55 67.136 37.861-135.402 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.052 38.661-135.315 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.292 36.659-135.551 1.00 0.84 O ATOM 0 H ASP A 55 66.499 40.159-133.676 1.00 0.20 H new ATOM 0 HA ASP A 55 66.173 40.057-136.607 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.298 38.223-134.323 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.065 37.858-136.021 1.00 0.25 H new ATOM 670 N GLU A 56 63.698 40.719-134.555 1.00 0.27 N ATOM 671 CA GLU A 56 62.310 41.243-134.519 1.00 0.32 C ATOM 672 C GLU A 56 62.322 42.637-135.109 1.00 0.30 C ATOM 673 O GLU A 56 61.574 42.946-136.003 1.00 0.31 O ATOM 674 CB GLU A 56 61.810 41.299-133.073 1.00 0.39 C ATOM 675 CG GLU A 56 61.202 39.949-132.688 1.00 0.44 C ATOM 676 CD GLU A 56 59.703 39.959-132.987 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.340 40.355-134.083 1.00 1.39 O ATOM 678 OE2 GLU A 56 58.941 39.572-132.116 1.00 1.72 O ATOM 0 H GLU A 56 64.153 40.640-133.645 1.00 0.27 H new ATOM 0 HA GLU A 56 61.647 40.593-135.090 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.634 41.543-132.402 1.00 0.39 H new ATOM 0 HB3 GLU A 56 61.066 42.088-132.965 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.689 39.148-133.244 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.371 39.751-131.630 1.00 0.44 H new ATOM 685 N LEU A 57 63.199 43.473-134.646 1.00 0.30 N ATOM 686 CA LEU A 57 63.271 44.827-135.235 1.00 0.32 C ATOM 687 C LEU A 57 63.589 44.639-136.717 1.00 0.28 C ATOM 688 O LEU A 57 62.954 45.208-137.580 1.00 0.29 O ATOM 689 CB LEU A 57 64.364 45.655-134.558 1.00 0.36 C ATOM 690 CG LEU A 57 63.780 46.347-133.327 1.00 0.50 C ATOM 691 CD1 LEU A 57 62.915 45.356-132.545 1.00 1.08 C ATOM 692 CD2 LEU A 57 64.915 46.849-132.432 1.00 1.22 C ATOM 0 H LEU A 57 63.861 43.280-133.894 1.00 0.30 H new ATOM 0 HA LEU A 57 62.331 45.362-135.096 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.196 45.013-134.269 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.759 46.396-135.253 1.00 0.36 H new ATOM 0 HG LEU A 57 63.169 47.192-133.645 1.00 0.50 H new ATOM 0 HD11 LEU A 57 62.499 45.850-131.667 1.00 1.08 H new ATOM 0 HD12 LEU A 57 62.104 45.001-133.180 1.00 1.08 H new ATOM 0 HD13 LEU A 57 63.526 44.510-132.230 1.00 1.08 H new ATOM 0 HD21 LEU A 57 64.496 47.342-131.555 1.00 1.22 H new ATOM 0 HD22 LEU A 57 65.529 46.006-132.116 1.00 1.22 H new ATOM 0 HD23 LEU A 57 65.530 47.557-132.987 1.00 1.22 H new ATOM 704 N ALA A 58 64.545 43.794-137.019 1.00 0.25 N ATOM 705 CA ALA A 58 64.853 43.532-138.449 1.00 0.24 C ATOM 706 C ALA A 58 63.555 43.069-139.106 1.00 0.21 C ATOM 707 O ALA A 58 63.353 43.203-140.298 1.00 0.21 O ATOM 708 CB ALA A 58 65.913 42.436-138.561 1.00 0.24 C ATOM 0 H ALA A 58 65.115 43.284-136.344 1.00 0.25 H new ATOM 0 HA ALA A 58 65.239 44.427-138.936 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.134 42.249-139.612 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.822 42.755-138.051 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.540 41.521-138.100 1.00 0.24 H new ATOM 714 N TRP A 59 62.655 42.550-138.310 1.00 0.19 N ATOM 715 CA TRP A 59 61.349 42.104-138.865 1.00 0.18 C ATOM 716 C TRP A 59 60.414 43.314-139.012 1.00 0.20 C ATOM 717 O TRP A 59 59.934 43.604-140.091 1.00 0.30 O ATOM 718 CB TRP A 59 60.695 41.060-137.963 1.00 0.19 C ATOM 719 CG TRP A 59 59.449 40.594-138.637 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.390 39.623-139.574 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.090 41.080-138.460 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.085 39.488-139.997 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.240 40.363-139.332 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.521 42.065-137.635 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.869 40.616-139.385 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.142 42.321-137.683 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.318 41.598-138.556 1.00 0.39 C ATOM 0 H TRP A 59 62.770 42.418-137.305 1.00 0.19 H new ATOM 0 HA TRP A 59 61.528 41.651-139.840 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.373 40.224-137.792 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.465 41.488-136.987 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.229 39.046-139.934 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.779 38.827-140.711 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.148 42.628-136.960 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.238 40.058-140.061 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.714 43.079-137.044 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.257 41.799-138.588 1.00 0.39 H new ATOM 738 N LYS A 60 60.152 44.028-137.945 1.00 0.27 N ATOM 739 CA LYS A 60 59.253 45.209-138.069 1.00 0.30 C ATOM 740 C LYS A 60 59.663 45.928-139.351 1.00 0.29 C ATOM 741 O LYS A 60 58.852 46.452-140.094 1.00 0.31 O ATOM 742 CB LYS A 60 59.427 46.140-136.863 1.00 0.38 C ATOM 743 CG LYS A 60 60.608 47.082-137.105 1.00 0.42 C ATOM 744 CD LYS A 60 61.040 47.714-135.780 1.00 1.08 C ATOM 745 CE LYS A 60 60.179 48.947-135.498 1.00 1.53 C ATOM 746 NZ LYS A 60 58.768 48.525-135.269 1.00 2.27 N ATOM 0 H LYS A 60 60.516 43.846-137.010 1.00 0.27 H new ATOM 0 HA LYS A 60 58.206 44.906-138.100 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.516 46.717-136.702 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.596 45.553-135.960 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.440 46.533-137.546 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.327 47.859-137.816 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.937 46.992-134.970 1.00 1.08 H new ATOM 0 HD3 LYS A 60 62.092 47.995-135.825 1.00 1.08 H new ATOM 0 HE2 LYS A 60 60.558 49.476-134.624 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.231 49.640-136.338 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.318 49.172-134.590 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 58.248 48.551-136.169 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.753 47.558-134.888 1.00 2.27 H new ATOM 760 N LYS A 61 60.935 45.896-139.629 1.00 0.28 N ATOM 761 CA LYS A 61 61.439 46.518-140.878 1.00 0.30 C ATOM 762 C LYS A 61 60.996 45.639-142.046 1.00 0.27 C ATOM 763 O LYS A 61 60.447 46.114-143.009 1.00 0.35 O ATOM 764 CB LYS A 61 62.964 46.611-140.850 1.00 0.35 C ATOM 765 CG LYS A 61 63.414 47.296-139.558 1.00 0.40 C ATOM 766 CD LYS A 61 64.316 48.485-139.896 1.00 0.77 C ATOM 767 CE LYS A 61 64.592 49.295-138.628 1.00 1.42 C ATOM 768 NZ LYS A 61 63.430 50.184-138.344 1.00 2.43 N ATOM 0 H LYS A 61 61.648 45.464-139.041 1.00 0.28 H new ATOM 0 HA LYS A 61 61.041 47.527-140.981 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.400 45.614-140.916 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.320 47.172-141.714 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.546 47.634-138.992 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.950 46.588-138.926 1.00 0.40 H new ATOM 0 HD2 LYS A 61 65.254 48.133-140.326 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.838 49.115-140.646 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.765 48.625-137.786 1.00 1.42 H new ATOM 0 HE3 LYS A 61 65.497 49.890-138.753 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 63.769 51.079-137.936 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 62.917 50.378-139.228 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 62.792 49.716-137.669 1.00 2.43 H new ATOM 782 N LEU A 62 61.228 44.354-141.967 1.00 0.24 N ATOM 783 CA LEU A 62 60.805 43.458-143.079 1.00 0.24 C ATOM 784 C LEU A 62 59.376 43.790-143.468 1.00 0.24 C ATOM 785 O LEU A 62 59.091 44.185-144.581 1.00 0.26 O ATOM 786 CB LEU A 62 60.840 42.002-142.619 1.00 0.24 C ATOM 787 CG LEU A 62 62.230 41.414-142.840 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.494 40.337-141.788 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.295 40.790-144.236 1.00 0.41 C ATOM 0 H LEU A 62 61.690 43.890-141.184 1.00 0.24 H new ATOM 0 HA LEU A 62 61.481 43.600-143.922 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.574 41.940-141.564 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.100 41.421-143.169 1.00 0.24 H new ATOM 0 HG LEU A 62 62.982 42.199-142.755 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.487 39.914-141.942 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.438 40.779-140.793 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.746 39.549-141.878 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.286 40.368-144.400 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.547 40.001-144.317 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.098 41.556-144.986 1.00 0.41 H new ATOM 801 N LYS A 63 58.470 43.606-142.555 1.00 0.24 N ATOM 802 CA LYS A 63 57.044 43.884-142.866 1.00 0.26 C ATOM 803 C LYS A 63 56.897 45.329-143.350 1.00 0.29 C ATOM 804 O LYS A 63 56.126 45.617-144.244 1.00 0.30 O ATOM 805 CB LYS A 63 56.183 43.663-141.620 1.00 0.34 C ATOM 806 CG LYS A 63 56.708 44.517-140.465 1.00 0.46 C ATOM 807 CD LYS A 63 55.618 44.651-139.401 1.00 0.41 C ATOM 808 CE LYS A 63 54.835 45.946-139.630 1.00 0.58 C ATOM 809 NZ LYS A 63 53.398 45.721-139.307 1.00 1.20 N ATOM 0 H LYS A 63 58.654 43.276-141.608 1.00 0.24 H new ATOM 0 HA LYS A 63 56.710 43.205-143.650 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.146 43.923-141.833 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.197 42.610-141.340 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.599 44.059-140.034 1.00 0.46 H new ATOM 0 HG3 LYS A 63 57.000 45.502-140.829 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.945 43.795-139.445 1.00 0.41 H new ATOM 0 HD3 LYS A 63 56.065 44.655-138.407 1.00 0.41 H new ATOM 0 HE2 LYS A 63 55.239 46.743-139.006 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.940 46.269-140.666 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.865 46.601-139.462 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.017 44.973-139.921 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.307 45.432-138.312 1.00 1.20 H new ATOM 823 N LEU A 64 57.640 46.240-142.778 1.00 0.33 N ATOM 824 CA LEU A 64 57.556 47.664-143.215 1.00 0.43 C ATOM 825 C LEU A 64 57.977 47.777-144.683 1.00 0.52 C ATOM 826 O LEU A 64 57.314 48.393-145.494 1.00 0.75 O ATOM 827 CB LEU A 64 58.507 48.487-142.341 1.00 0.38 C ATOM 828 CG LEU A 64 57.777 48.944-141.077 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.770 49.620-140.131 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.677 49.937-141.456 1.00 1.23 C ATOM 0 H LEU A 64 58.303 46.058-142.025 1.00 0.33 H new ATOM 0 HA LEU A 64 56.535 48.032-143.113 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.379 47.890-142.074 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.870 49.352-142.896 1.00 0.38 H new ATOM 0 HG LEU A 64 57.333 48.081-140.581 1.00 0.50 H new ATOM 0 HD11 LEU A 64 58.250 49.946-139.230 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.555 48.913-139.862 1.00 1.10 H new ATOM 0 HD13 LEU A 64 59.214 50.484-140.626 1.00 1.10 H new ATOM 0 HD21 LEU A 64 56.156 50.264-140.556 1.00 1.23 H new ATOM 0 HD22 LEU A 64 57.121 50.800-141.952 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.969 49.456-142.131 1.00 1.23 H new ATOM 842 N ASP A 65 59.082 47.181-145.015 1.00 0.45 N ATOM 843 CA ASP A 65 59.581 47.230-146.416 1.00 0.60 C ATOM 844 C ASP A 65 58.786 46.245-147.270 1.00 0.96 C ATOM 845 O ASP A 65 58.982 46.149-148.466 1.00 0.98 O ATOM 846 CB ASP A 65 61.064 46.852-146.443 1.00 0.53 C ATOM 847 CG ASP A 65 61.876 47.915-145.701 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.276 48.860-145.216 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.085 47.764-145.628 1.00 1.31 O ATOM 0 H ASP A 65 59.670 46.655-144.369 1.00 0.45 H new ATOM 0 HA ASP A 65 59.458 48.238-146.813 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.210 45.877-145.978 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.410 46.768-147.473 1.00 0.53 H new ATOM 854 N GLY A 66 57.892 45.505-146.670 1.00 1.30 N ATOM 855 CA GLY A 66 57.096 44.525-147.459 1.00 1.72 C ATOM 856 C GLY A 66 58.018 43.406-147.938 1.00 0.91 C ATOM 857 O GLY A 66 58.213 43.216-149.122 1.00 1.14 O ATOM 0 H GLY A 66 57.680 45.537-145.673 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.292 44.115-146.848 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.629 45.019-148.311 1.00 1.72 H new ATOM 861 N LEU A 67 58.592 42.663-147.030 1.00 0.37 N ATOM 862 CA LEU A 67 59.501 41.567-147.449 1.00 1.03 C ATOM 863 C LEU A 67 58.905 40.213-147.069 1.00 0.91 C ATOM 864 O LEU A 67 58.977 39.266-147.826 1.00 1.09 O ATOM 865 CB LEU A 67 60.861 41.742-146.773 1.00 1.69 C ATOM 866 CG LEU A 67 61.741 42.653-147.633 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.847 43.263-146.770 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.373 41.834-148.760 1.00 2.68 C ATOM 0 H LEU A 67 58.470 42.769-146.023 1.00 0.37 H new ATOM 0 HA LEU A 67 59.627 41.604-148.531 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.733 42.173-145.780 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.341 40.773-146.641 1.00 1.69 H new ATOM 0 HG LEU A 67 61.130 43.450-148.057 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.472 43.911-147.384 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.400 43.847-145.965 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.458 42.467-146.345 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.000 42.482-149.373 1.00 2.68 H new ATOM 0 HD22 LEU A 67 62.982 41.037-148.333 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.588 41.399-149.378 1.00 2.68 H new ATOM 880 N ASP A 68 58.276 40.113-145.931 1.00 0.69 N ATOM 881 CA ASP A 68 57.634 38.827-145.547 1.00 0.59 C ATOM 882 C ASP A 68 56.116 38.997-145.552 1.00 0.59 C ATOM 883 O ASP A 68 55.572 39.536-144.609 1.00 0.59 O ATOM 884 CB ASP A 68 58.059 38.467-144.123 1.00 0.53 C ATOM 885 CG ASP A 68 57.773 36.985-143.866 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.284 36.330-144.772 1.00 0.97 O ATOM 887 OD2 ASP A 68 58.046 36.530-142.767 1.00 1.19 O ATOM 0 H ASP A 68 58.179 40.867-145.251 1.00 0.69 H new ATOM 0 HA ASP A 68 57.933 38.050-146.250 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.120 38.673-143.986 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.519 39.083-143.404 1.00 0.53 H new ATOM 892 N GLU A 69 55.393 38.527-146.531 1.00 0.63 N ATOM 893 CA GLU A 69 53.917 38.675-146.446 1.00 0.69 C ATOM 894 C GLU A 69 53.401 37.454-145.698 1.00 0.71 C ATOM 895 O GLU A 69 52.493 37.525-144.894 1.00 0.77 O ATOM 896 CB GLU A 69 53.316 38.719-147.853 1.00 0.73 C ATOM 897 CG GLU A 69 53.677 37.436-148.604 1.00 0.75 C ATOM 898 CD GLU A 69 53.670 37.706-150.110 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.592 37.758-150.677 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.744 37.855-150.670 1.00 1.82 O ATOM 0 H GLU A 69 55.750 38.059-147.364 1.00 0.63 H new ATOM 0 HA GLU A 69 53.641 39.597-145.934 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.233 38.826-147.794 1.00 0.73 H new ATOM 0 HB3 GLU A 69 53.693 39.587-148.394 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.660 37.084-148.292 1.00 0.75 H new ATOM 0 HG3 GLU A 69 52.964 36.648-148.362 1.00 0.75 H new ATOM 907 N ASP A 70 54.014 36.328-145.951 1.00 0.72 N ATOM 908 CA ASP A 70 53.609 35.081-145.251 1.00 0.78 C ATOM 909 C ASP A 70 53.835 35.303-143.759 1.00 0.69 C ATOM 910 O ASP A 70 53.236 34.666-142.916 1.00 0.84 O ATOM 911 CB ASP A 70 54.467 33.910-145.739 1.00 0.83 C ATOM 912 CG ASP A 70 54.216 33.680-147.230 1.00 0.95 C ATOM 913 OD1 ASP A 70 53.237 34.204-147.735 1.00 1.43 O ATOM 914 OD2 ASP A 70 55.009 32.983-147.842 1.00 1.34 O ATOM 0 H ASP A 70 54.780 36.221-146.616 1.00 0.72 H new ATOM 0 HA ASP A 70 52.564 34.847-145.452 1.00 0.78 H new ATOM 0 HB2 ASP A 70 55.522 34.121-145.565 1.00 0.83 H new ATOM 0 HB3 ASP A 70 54.226 33.009-145.175 1.00 0.83 H new ATOM 919 N GLY A 71 54.700 36.226-143.445 1.00 0.50 N ATOM 920 CA GLY A 71 54.989 36.539-142.022 1.00 0.43 C ATOM 921 C GLY A 71 55.811 35.415-141.394 1.00 0.34 C ATOM 922 O GLY A 71 55.988 35.372-140.193 1.00 0.31 O ATOM 0 H GLY A 71 55.223 36.781-144.122 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.533 37.481-141.952 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.056 36.668-141.473 1.00 0.43 H new ATOM 926 N GLU A 72 56.322 34.503-142.179 1.00 0.36 N ATOM 927 CA GLU A 72 57.125 33.410-141.569 1.00 0.34 C ATOM 928 C GLU A 72 58.241 34.046-140.743 1.00 0.30 C ATOM 929 O GLU A 72 58.424 33.736-139.586 1.00 0.30 O ATOM 930 CB GLU A 72 57.732 32.538-142.672 1.00 0.40 C ATOM 931 CG GLU A 72 57.394 31.070-142.403 1.00 1.23 C ATOM 932 CD GLU A 72 57.916 30.207-143.553 1.00 1.97 C ATOM 933 OE1 GLU A 72 58.819 30.654-144.241 1.00 2.64 O ATOM 934 OE2 GLU A 72 57.405 29.113-143.727 1.00 2.68 O ATOM 0 H GLU A 72 56.220 34.469-143.193 1.00 0.36 H new ATOM 0 HA GLU A 72 56.495 32.785-140.936 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.343 32.840-143.645 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.813 32.674-142.705 1.00 0.40 H new ATOM 0 HG2 GLU A 72 57.841 30.749-141.462 1.00 1.23 H new ATOM 0 HG3 GLU A 72 56.316 30.947-142.302 1.00 1.23 H new ATOM 941 N LYS A 73 58.987 34.941-141.326 1.00 0.31 N ATOM 942 CA LYS A 73 60.083 35.597-140.564 1.00 0.33 C ATOM 943 C LYS A 73 59.534 36.026-139.201 1.00 0.29 C ATOM 944 O LYS A 73 60.193 35.909-138.177 1.00 0.29 O ATOM 945 CB LYS A 73 60.582 36.814-141.349 1.00 0.38 C ATOM 946 CG LYS A 73 60.904 36.394-142.788 1.00 0.55 C ATOM 947 CD LYS A 73 61.759 37.467-143.463 1.00 1.07 C ATOM 948 CE LYS A 73 63.237 37.195-143.171 1.00 1.38 C ATOM 949 NZ LYS A 73 64.084 38.055-144.043 1.00 2.36 N ATOM 0 H LYS A 73 58.885 35.246-142.294 1.00 0.31 H new ATOM 0 HA LYS A 73 60.917 34.910-140.418 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.824 37.597-141.348 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.470 37.229-140.872 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.433 35.441-142.788 1.00 0.55 H new ATOM 0 HG3 LYS A 73 59.981 36.246-143.348 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.583 37.465-144.539 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.480 38.455-143.096 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.454 37.397-142.122 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.466 36.144-143.347 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.885 37.499-144.406 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.517 38.406-144.841 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 64.443 38.861-143.492 1.00 2.36 H new ATOM 963 N GLU A 74 58.296 36.434-139.165 1.00 0.28 N ATOM 964 CA GLU A 74 57.672 36.786-137.864 1.00 0.28 C ATOM 965 C GLU A 74 57.412 35.463-137.154 1.00 0.26 C ATOM 966 O GLU A 74 57.466 35.353-135.957 1.00 0.27 O ATOM 967 CB GLU A 74 56.351 37.519-138.100 1.00 0.31 C ATOM 968 CG GLU A 74 56.028 38.383-136.884 1.00 0.37 C ATOM 969 CD GLU A 74 54.518 38.379-136.638 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.799 37.902-137.499 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.107 38.853-135.592 1.00 1.14 O ATOM 0 H GLU A 74 57.692 36.538-139.980 1.00 0.28 H new ATOM 0 HA GLU A 74 58.314 37.440-137.274 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.421 38.140-138.993 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.550 36.801-138.273 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.551 38.003-136.006 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.377 39.403-137.047 1.00 0.37 H new ATOM 978 N ALA A 75 57.136 34.462-137.934 1.00 0.25 N ATOM 979 CA ALA A 75 56.889 33.121-137.348 1.00 0.27 C ATOM 980 C ALA A 75 58.180 32.688-136.673 1.00 0.26 C ATOM 981 O ALA A 75 58.244 32.574-135.469 1.00 0.27 O ATOM 982 CB ALA A 75 56.495 32.121-138.436 1.00 0.30 C ATOM 0 H ALA A 75 57.071 34.513-138.951 1.00 0.25 H new ATOM 0 HA ALA A 75 56.068 33.159-136.632 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.318 31.144-137.986 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.586 32.462-138.932 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.300 32.043-139.167 1.00 0.30 H new ATOM 988 N ARG A 76 59.215 32.441-137.423 1.00 0.28 N ATOM 989 CA ARG A 76 60.486 32.012-136.786 1.00 0.31 C ATOM 990 C ARG A 76 60.790 32.912-135.594 1.00 0.28 C ATOM 991 O ARG A 76 61.287 32.459-134.581 1.00 0.30 O ATOM 992 CB ARG A 76 61.627 32.094-137.802 1.00 0.35 C ATOM 993 CG ARG A 76 61.290 31.232-139.020 1.00 0.66 C ATOM 994 CD ARG A 76 62.491 31.191-139.966 1.00 1.00 C ATOM 995 NE ARG A 76 63.707 30.783-139.209 1.00 1.51 N ATOM 996 CZ ARG A 76 64.774 30.391-139.851 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.774 30.356-141.155 1.00 2.34 N ATOM 998 NH2 ARG A 76 65.839 30.034-139.188 1.00 3.14 N ATOM 0 H ARG A 76 59.236 32.517-138.440 1.00 0.28 H new ATOM 0 HA ARG A 76 60.387 30.982-136.443 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.782 33.129-138.107 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.557 31.753-137.348 1.00 0.35 H new ATOM 0 HG2 ARG A 76 61.029 30.222-138.703 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.421 31.638-139.537 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.303 30.489-140.779 1.00 1.00 H new ATOM 0 HD3 ARG A 76 62.644 32.170-140.419 1.00 1.00 H new ATOM 0 HE ARG A 76 63.706 30.810-138.189 1.00 1.51 H new ATOM 0 HH11 ARG A 76 63.941 30.635-141.673 1.00 2.34 H new ATOM 0 HH12 ARG A 76 65.607 30.050-141.657 1.00 2.34 H new ATOM 0 HH21 ARG A 76 65.838 30.061-138.168 1.00 3.14 H new ATOM 0 HH22 ARG A 76 66.673 29.728-139.689 1.00 3.14 H new ATOM 1012 N LEU A 77 60.480 34.174-135.681 1.00 0.30 N ATOM 1013 CA LEU A 77 60.746 35.060-134.515 1.00 0.31 C ATOM 1014 C LEU A 77 59.789 34.675-133.386 1.00 0.29 C ATOM 1015 O LEU A 77 60.199 34.301-132.307 1.00 0.30 O ATOM 1016 CB LEU A 77 60.523 36.517-134.914 1.00 0.35 C ATOM 1017 CG LEU A 77 61.773 37.035-135.624 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.433 38.314-136.383 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.863 37.329-134.590 1.00 0.38 C ATOM 0 H LEU A 77 60.061 34.625-136.494 1.00 0.30 H new ATOM 0 HA LEU A 77 61.778 34.944-134.182 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.656 36.599-135.570 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.314 37.121-134.031 1.00 0.35 H new ATOM 0 HG LEU A 77 62.132 36.281-136.325 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.324 38.684-136.890 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.657 38.105-137.120 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.074 39.068-135.683 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.755 37.698-135.096 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.505 38.083-133.889 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.106 36.415-134.048 1.00 0.38 H new ATOM 1031 N ILE A 78 58.517 34.753-133.644 1.00 0.29 N ATOM 1032 CA ILE A 78 57.508 34.381-132.616 1.00 0.32 C ATOM 1033 C ILE A 78 57.901 33.050-131.989 1.00 0.30 C ATOM 1034 O ILE A 78 57.881 32.889-130.790 1.00 0.32 O ATOM 1035 CB ILE A 78 56.146 34.244-133.278 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.705 35.614-133.774 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.131 33.715-132.262 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.722 35.439-134.922 1.00 0.37 C ATOM 0 H ILE A 78 58.127 35.062-134.534 1.00 0.29 H new ATOM 0 HA ILE A 78 57.464 35.151-131.846 1.00 0.32 H new ATOM 0 HB ILE A 78 56.208 33.547-134.114 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.240 36.175-132.963 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.570 36.190-134.105 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.156 33.618-132.739 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.455 32.740-131.897 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.058 34.410-131.425 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.403 36.418-135.281 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.204 34.894-135.734 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.853 34.879-134.575 1.00 0.37 H new ATOM 1050 N ARG A 79 58.274 32.097-132.796 1.00 0.29 N ATOM 1051 CA ARG A 79 58.689 30.779-132.233 1.00 0.32 C ATOM 1052 C ARG A 79 59.953 30.985-131.396 1.00 0.26 C ATOM 1053 O ARG A 79 60.128 30.376-130.361 1.00 0.26 O ATOM 1054 CB ARG A 79 58.977 29.796-133.370 1.00 0.38 C ATOM 1055 CG ARG A 79 59.990 28.752-132.896 1.00 0.39 C ATOM 1056 CD ARG A 79 60.088 27.627-133.929 1.00 0.39 C ATOM 1057 NE ARG A 79 61.200 26.709-133.557 1.00 1.50 N ATOM 1058 CZ ARG A 79 61.286 25.530-134.110 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.398 25.156-134.991 1.00 2.28 N ATOM 1060 NH2 ARG A 79 62.260 24.726-133.784 1.00 3.27 N ATOM 0 H ARG A 79 58.310 32.170-133.813 1.00 0.29 H new ATOM 0 HA ARG A 79 57.891 30.372-131.612 1.00 0.32 H new ATOM 0 HB2 ARG A 79 58.055 29.307-133.685 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.367 30.330-134.237 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.966 29.216-132.754 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.686 28.348-131.930 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.148 27.077-133.975 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.262 28.044-134.921 1.00 0.39 H new ATOM 0 HE ARG A 79 61.895 27.002-132.870 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.637 25.785-135.247 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.465 24.235-135.423 1.00 2.28 H new ATOM 0 HH21 ARG A 79 62.955 25.019-133.097 1.00 3.27 H new ATOM 0 HH22 ARG A 79 62.327 23.805-134.216 1.00 3.27 H new ATOM 1074 N ASN A 80 60.833 31.851-131.828 1.00 0.23 N ATOM 1075 CA ASN A 80 62.076 32.104-131.040 1.00 0.21 C ATOM 1076 C ASN A 80 61.700 32.845-129.761 1.00 0.21 C ATOM 1077 O ASN A 80 62.366 32.735-128.749 1.00 0.22 O ATOM 1078 CB ASN A 80 63.047 32.951-131.864 1.00 0.23 C ATOM 1079 CG ASN A 80 63.742 32.066-132.902 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.714 30.856-132.801 1.00 1.06 O ATOM 1081 ND2 ASN A 80 64.368 32.624-133.901 1.00 1.15 N ATOM 0 H ASN A 80 60.745 32.392-132.688 1.00 0.23 H new ATOM 0 HA ASN A 80 62.558 31.158-130.792 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.510 33.759-132.361 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.787 33.414-131.211 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.835 32.044-134.598 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.391 33.640-133.985 1.00 1.15 H new ATOM 1088 N LEU A 81 60.597 33.539-129.774 1.00 0.23 N ATOM 1089 CA LEU A 81 60.147 34.217-128.534 1.00 0.28 C ATOM 1090 C LEU A 81 59.539 33.125-127.677 1.00 0.30 C ATOM 1091 O LEU A 81 59.878 32.939-126.527 1.00 0.31 O ATOM 1092 CB LEU A 81 59.086 35.272-128.862 1.00 0.35 C ATOM 1093 CG LEU A 81 59.767 36.596-129.208 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.722 37.591-129.717 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.444 37.163-127.959 1.00 1.26 C ATOM 0 H LEU A 81 59.993 33.664-130.586 1.00 0.23 H new ATOM 0 HA LEU A 81 60.969 34.725-128.030 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.473 34.937-129.699 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.418 35.407-128.011 1.00 0.35 H new ATOM 0 HG LEU A 81 60.515 36.427-129.983 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.208 38.535-129.964 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.239 37.188-130.607 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.973 37.760-128.943 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.930 38.107-128.205 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.696 37.331-127.184 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.189 36.455-127.596 1.00 1.26 H new ATOM 1107 N ASN A 82 58.663 32.372-128.273 1.00 0.35 N ATOM 1108 CA ASN A 82 58.030 31.240-127.567 1.00 0.42 C ATOM 1109 C ASN A 82 59.123 30.412-126.908 1.00 0.37 C ATOM 1110 O ASN A 82 59.164 30.272-125.704 1.00 0.38 O ATOM 1111 CB ASN A 82 57.266 30.403-128.599 1.00 0.51 C ATOM 1112 CG ASN A 82 55.849 30.954-128.759 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.369 31.116-129.863 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.153 31.252-127.696 1.00 0.98 N ATOM 0 H ASN A 82 58.356 32.499-129.237 1.00 0.35 H new ATOM 0 HA ASN A 82 57.337 31.586-126.800 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.786 30.425-129.557 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.228 29.361-128.281 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.207 31.621-127.793 1.00 0.98 H new ATOM 0 HD22 ASN A 82 55.555 31.116-126.769 1.00 0.98 H new ATOM 1121 N VAL A 83 60.024 29.875-127.678 1.00 0.35 N ATOM 1122 CA VAL A 83 61.122 29.077-127.078 1.00 0.36 C ATOM 1123 C VAL A 83 61.772 29.906-125.974 1.00 0.32 C ATOM 1124 O VAL A 83 61.900 29.469-124.853 1.00 0.35 O ATOM 1125 CB VAL A 83 62.165 28.750-128.151 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.067 27.619-127.659 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.458 28.315-129.438 1.00 0.44 C ATOM 0 H VAL A 83 60.047 29.954-128.695 1.00 0.35 H new ATOM 0 HA VAL A 83 60.728 28.147-126.669 1.00 0.36 H new ATOM 0 HB VAL A 83 62.768 29.636-128.350 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.809 27.387-128.423 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.573 27.929-126.744 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.464 26.734-127.458 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.201 28.083-130.201 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.853 27.430-129.240 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.816 29.122-129.791 1.00 0.44 H new ATOM 1137 N ILE A 84 62.188 31.102-126.286 1.00 0.27 N ATOM 1138 CA ILE A 84 62.828 31.941-125.241 1.00 0.30 C ATOM 1139 C ILE A 84 62.005 31.833-123.963 1.00 0.31 C ATOM 1140 O ILE A 84 62.513 31.517-122.903 1.00 0.37 O ATOM 1141 CB ILE A 84 62.871 33.394-125.683 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.998 33.575-126.694 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.134 34.284-124.465 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.720 34.814-127.531 1.00 0.37 C ATOM 0 H ILE A 84 62.113 31.529-127.209 1.00 0.27 H new ATOM 0 HA ILE A 84 63.848 31.594-125.072 1.00 0.30 H new ATOM 0 HB ILE A 84 61.920 33.670-126.139 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.953 33.676-126.179 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.073 32.697-127.335 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.166 35.328-124.777 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.336 34.148-123.735 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.088 34.011-124.014 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.522 34.950-128.257 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.772 34.693-128.056 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.666 35.688-126.881 1.00 0.37 H new ATOM 1156 N LEU A 85 60.731 32.102-124.053 1.00 0.35 N ATOM 1157 CA LEU A 85 59.869 32.025-122.842 1.00 0.42 C ATOM 1158 C LEU A 85 59.887 30.600-122.296 1.00 0.42 C ATOM 1159 O LEU A 85 60.262 30.364-121.172 1.00 0.47 O ATOM 1160 CB LEU A 85 58.439 32.417-123.216 1.00 0.54 C ATOM 1161 CG LEU A 85 58.296 33.936-123.137 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.217 34.358-121.672 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.514 34.596-123.789 1.00 0.61 C ATOM 0 H LEU A 85 60.251 32.371-124.912 1.00 0.35 H new ATOM 0 HA LEU A 85 60.244 32.707-122.079 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.206 32.070-124.223 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.730 31.938-122.541 1.00 0.54 H new ATOM 0 HG LEU A 85 57.390 34.246-123.658 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.115 35.441-121.610 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.354 33.885-121.203 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.126 34.049-121.155 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.414 35.680-123.734 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.419 34.288-123.265 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.578 34.290-124.833 1.00 0.61 H new ATOM 1175 N ALA A 86 59.493 29.651-123.089 1.00 0.47 N ATOM 1176 CA ALA A 86 59.498 28.238-122.624 1.00 0.58 C ATOM 1177 C ALA A 86 60.879 27.899-122.058 1.00 0.59 C ATOM 1178 O ALA A 86 61.059 26.910-121.374 1.00 0.73 O ATOM 1179 CB ALA A 86 59.200 27.326-123.815 1.00 0.64 C ATOM 0 H ALA A 86 59.165 29.791-124.045 1.00 0.47 H new ATOM 0 HA ALA A 86 58.743 28.096-121.851 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.201 26.287-123.487 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.223 27.575-124.228 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.964 27.465-124.580 1.00 0.64 H new ATOM 1185 N LYS A 87 61.861 28.699-122.370 1.00 0.50 N ATOM 1186 CA LYS A 87 63.246 28.427-121.895 1.00 0.60 C ATOM 1187 C LYS A 87 63.464 28.994-120.497 1.00 0.58 C ATOM 1188 O LYS A 87 63.956 28.320-119.615 1.00 0.71 O ATOM 1189 CB LYS A 87 64.227 29.092-122.851 1.00 0.61 C ATOM 1190 CG LYS A 87 65.576 28.373-122.789 1.00 0.82 C ATOM 1191 CD LYS A 87 66.638 29.219-123.495 1.00 0.99 C ATOM 1192 CE LYS A 87 68.020 28.603-123.263 1.00 1.63 C ATOM 1193 NZ LYS A 87 69.067 29.518-123.797 1.00 2.02 N ATOM 0 H LYS A 87 61.761 29.539-122.940 1.00 0.50 H new ATOM 0 HA LYS A 87 63.401 27.349-121.863 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.835 29.063-123.868 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.351 30.142-122.587 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.862 28.203-121.751 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.501 27.395-123.263 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.426 29.271-124.563 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.615 30.241-123.116 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.180 28.432-122.198 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.085 27.632-123.755 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 70.006 29.100-123.640 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.917 29.660-124.816 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 69.009 30.434-123.308 1.00 2.02 H new ATOM 1207 N TYR A 88 63.112 30.228-120.283 1.00 0.45 N ATOM 1208 CA TYR A 88 63.314 30.821-118.933 1.00 0.47 C ATOM 1209 C TYR A 88 62.133 30.444-118.049 1.00 0.54 C ATOM 1210 O TYR A 88 62.195 30.502-116.837 1.00 0.58 O ATOM 1211 CB TYR A 88 63.408 32.342-119.052 1.00 0.44 C ATOM 1212 CG TYR A 88 64.721 32.707-119.699 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.860 32.898-118.907 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.802 32.849-121.089 1.00 0.53 C ATOM 1215 CE1 TYR A 88 67.080 33.232-119.507 1.00 0.64 C ATOM 1216 CE2 TYR A 88 66.022 33.182-121.688 1.00 0.62 C ATOM 1217 CZ TYR A 88 67.161 33.374-120.897 1.00 0.61 C ATOM 1218 OH TYR A 88 68.364 33.702-121.488 1.00 0.73 O ATOM 0 H TYR A 88 62.696 30.849-120.978 1.00 0.45 H new ATOM 0 HA TYR A 88 64.237 30.442-118.494 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.577 32.725-119.645 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.334 32.801-118.066 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.797 32.788-117.834 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.923 32.702-121.699 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.959 33.380-118.897 1.00 0.64 H new ATOM 0 HE2 TYR A 88 66.085 33.291-122.761 1.00 0.62 H new ATOM 0 HH TYR A 88 68.359 33.412-122.424 1.00 0.73 H new ATOM 1228 N GLY A 89 61.049 30.088-118.662 1.00 0.59 N ATOM 1229 CA GLY A 89 59.836 29.736-117.876 1.00 0.69 C ATOM 1230 C GLY A 89 59.133 31.037-117.502 1.00 0.77 C ATOM 1231 O GLY A 89 58.687 31.227-116.388 1.00 1.09 O ATOM 0 H GLY A 89 60.946 30.024-119.675 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.173 29.097-118.460 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.109 29.178-116.981 1.00 0.69 H new ATOM 1235 N LEU A 90 59.028 31.930-118.444 1.00 0.65 N ATOM 1236 CA LEU A 90 58.352 33.231-118.183 1.00 0.75 C ATOM 1237 C LEU A 90 57.136 33.345-119.104 1.00 0.80 C ATOM 1238 O LEU A 90 56.537 34.394-119.237 1.00 1.31 O ATOM 1239 CB LEU A 90 59.324 34.380-118.467 1.00 0.82 C ATOM 1240 CG LEU A 90 59.171 35.462-117.398 1.00 1.03 C ATOM 1241 CD1 LEU A 90 57.739 35.999-117.416 1.00 1.50 C ATOM 1242 CD2 LEU A 90 59.477 34.866-116.023 1.00 1.68 C ATOM 0 H LEU A 90 59.385 31.814-119.393 1.00 0.65 H new ATOM 0 HA LEU A 90 58.034 33.284-117.142 1.00 0.75 H new ATOM 0 HB2 LEU A 90 60.349 34.008-118.477 1.00 0.82 H new ATOM 0 HB3 LEU A 90 59.127 34.800-119.454 1.00 0.82 H new ATOM 0 HG LEU A 90 59.865 36.277-117.603 1.00 1.03 H new ATOM 0 HD11 LEU A 90 57.630 36.770-116.654 1.00 1.50 H new ATOM 0 HD12 LEU A 90 57.522 36.424-118.396 1.00 1.50 H new ATOM 0 HD13 LEU A 90 57.043 35.186-117.211 1.00 1.50 H new ATOM 0 HD21 LEU A 90 59.368 35.637-115.260 1.00 1.68 H new ATOM 0 HD22 LEU A 90 58.783 34.051-115.817 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.498 34.485-116.011 1.00 1.68 H new