USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -13.4! C(o=-15!,f=-21!) USER MOD Set 1.2: A 80 ASN : amide:sc= -1.82 K(o=-15,f=-18!) USER MOD Set 2.1: A 22 MET CE :methyl 179:sc= -5.97! (180deg=-5.98!) USER MOD Set 2.2: A 24 LYS NZ :NH3+ -170:sc= -0.25 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -3.83! C(o=-3.8!,f=-14!) USER MOD Single : A 27 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.37) USER MOD Single : A 46 HIS : no HD1:sc= -5.41! K(o=-5.4!,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= -3.43! (180deg=-3.91!) USER MOD Single : A 60 LYS NZ :NH3+ 145:sc= -0.996 (180deg=-3.16!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 146:sc= -0.152 (180deg=-0.974) USER MOD Single : A 82 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.64) USER MOD Single : A 87 LYS NZ :NH3+ 163:sc= -0.58 (180deg=-1.26) USER MOD Single : A 88 TYR OH : rot 21:sc= -9.02! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.601 50.155-124.047 1.00 0.57 N ATOM 24 CA GLU A 19 64.548 49.016-124.254 1.00 0.55 C ATOM 25 C GLU A 19 64.471 48.563-125.714 1.00 0.56 C ATOM 26 O GLU A 19 65.433 48.641-126.453 1.00 0.63 O ATOM 27 CB GLU A 19 64.186 47.854-123.319 1.00 0.45 C ATOM 28 CG GLU A 19 62.782 47.332-123.636 1.00 0.38 C ATOM 29 CD GLU A 19 61.808 48.504-123.750 1.00 1.26 C ATOM 30 OE1 GLU A 19 61.399 49.011-122.718 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.487 48.875-124.867 1.00 2.06 O ATOM 0 HA GLU A 19 65.564 49.338-124.026 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.913 47.050-123.429 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.232 48.185-122.282 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.796 46.767-124.568 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.453 46.648-122.853 1.00 0.38 H new ATOM 38 N PHE A 20 63.325 48.116-126.138 1.00 0.51 N ATOM 39 CA PHE A 20 63.158 47.679-127.554 1.00 0.54 C ATOM 40 C PHE A 20 62.119 48.582-128.206 1.00 0.55 C ATOM 41 O PHE A 20 61.798 49.633-127.689 1.00 0.57 O ATOM 42 CB PHE A 20 62.664 46.234-127.594 1.00 0.52 C ATOM 43 CG PHE A 20 63.570 45.377-126.753 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.928 45.273-127.069 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.050 44.691-125.655 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.768 44.480-126.280 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.888 43.897-124.864 1.00 0.51 C ATOM 48 CZ PHE A 20 65.248 43.791-125.176 1.00 0.56 C ATOM 0 H PHE A 20 62.488 48.033-125.561 1.00 0.51 H new ATOM 0 HA PHE A 20 64.110 47.743-128.082 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.641 46.177-127.222 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.650 45.870-128.621 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.328 45.804-127.920 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.000 44.773-125.415 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.817 44.399-126.522 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.486 43.367-124.014 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.896 43.179-124.567 1.00 0.56 H new ATOM 58 N ARG A 21 61.575 48.194-129.325 1.00 0.57 N ATOM 59 CA ARG A 21 60.549 49.050-129.976 1.00 0.60 C ATOM 60 C ARG A 21 59.340 48.176-130.298 1.00 0.57 C ATOM 61 O ARG A 21 58.384 48.609-130.911 1.00 0.59 O ATOM 62 CB ARG A 21 61.116 49.624-131.273 1.00 0.69 C ATOM 63 CG ARG A 21 62.369 50.447-130.964 1.00 0.74 C ATOM 64 CD ARG A 21 63.006 50.917-132.273 1.00 0.82 C ATOM 65 NE ARG A 21 61.954 51.486-133.160 1.00 1.35 N ATOM 66 CZ ARG A 21 62.292 52.214-134.190 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.551 52.444-134.440 1.00 2.06 N ATOM 68 NH2 ARG A 21 61.370 52.712-134.969 1.00 2.72 N ATOM 0 H ARG A 21 61.796 47.326-129.814 1.00 0.57 H new ATOM 0 HA ARG A 21 60.263 49.869-129.316 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.360 48.817-131.964 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.370 50.249-131.763 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.110 51.306-130.345 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.080 49.847-130.396 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.770 51.667-132.069 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.503 50.083-132.769 1.00 0.82 H new ATOM 0 HE ARG A 21 60.969 51.307-132.963 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.271 52.055-133.831 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.816 53.013-135.244 1.00 2.06 H new ATOM 0 HH21 ARG A 21 60.385 52.532-134.773 1.00 2.72 H new ATOM 0 HH22 ARG A 21 61.635 53.281-135.773 1.00 2.72 H new ATOM 82 N MET A 22 59.385 46.942-129.880 1.00 0.54 N ATOM 83 CA MET A 22 58.252 46.014-130.143 1.00 0.55 C ATOM 84 C MET A 22 57.468 45.802-128.846 1.00 0.49 C ATOM 85 O MET A 22 58.030 45.523-127.801 1.00 0.63 O ATOM 86 CB MET A 22 58.795 44.676-130.640 1.00 0.61 C ATOM 87 CG MET A 22 59.203 44.805-132.108 1.00 0.71 C ATOM 88 SD MET A 22 57.751 44.571-133.162 1.00 1.14 S ATOM 89 CE MET A 22 58.084 42.855-133.630 1.00 1.25 C ATOM 0 H MET A 22 60.164 46.534-129.364 1.00 0.54 H new ATOM 0 HA MET A 22 57.595 46.439-130.902 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.652 44.373-130.039 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.038 43.900-130.529 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.643 45.786-132.289 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.965 44.064-132.351 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.287 42.494-134.279 1.00 1.25 H new ATOM 0 HE2 MET A 22 59.036 42.800-134.159 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.131 42.236-132.734 1.00 1.25 H new ATOM 99 N GLU A 23 56.174 45.943-128.902 1.00 0.47 N ATOM 100 CA GLU A 23 55.353 45.768-127.675 1.00 0.46 C ATOM 101 C GLU A 23 55.527 44.357-127.113 1.00 0.50 C ATOM 102 O GLU A 23 55.637 44.173-125.917 1.00 0.50 O ATOM 103 CB GLU A 23 53.878 46.007-128.007 1.00 0.50 C ATOM 104 CG GLU A 23 53.691 47.445-128.494 1.00 1.45 C ATOM 105 CD GLU A 23 53.801 48.404-127.307 1.00 2.02 C ATOM 106 OE1 GLU A 23 53.724 47.936-126.183 1.00 2.68 O ATOM 107 OE2 GLU A 23 53.958 49.591-127.542 1.00 2.48 O ATOM 0 H GLU A 23 55.650 46.172-129.746 1.00 0.47 H new ATOM 0 HA GLU A 23 55.683 46.488-126.926 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.549 45.306-128.774 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.262 45.827-127.126 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.445 47.688-129.242 1.00 1.45 H new ATOM 0 HG3 GLU A 23 52.719 47.554-128.974 1.00 1.45 H new ATOM 114 N LYS A 24 55.552 43.353-127.947 1.00 0.54 N ATOM 115 CA LYS A 24 55.717 41.970-127.423 1.00 0.59 C ATOM 116 C LYS A 24 56.953 41.905-126.533 1.00 0.53 C ATOM 117 O LYS A 24 56.887 41.497-125.390 1.00 0.55 O ATOM 118 CB LYS A 24 55.881 40.997-128.591 1.00 0.67 C ATOM 119 CG LYS A 24 56.847 41.593-129.612 1.00 0.64 C ATOM 120 CD LYS A 24 56.800 40.770-130.902 1.00 0.77 C ATOM 121 CE LYS A 24 55.862 41.446-131.904 1.00 1.46 C ATOM 122 NZ LYS A 24 55.845 40.666-133.173 1.00 2.09 N ATOM 0 H LYS A 24 55.466 43.430-128.960 1.00 0.54 H new ATOM 0 HA LYS A 24 54.836 41.697-126.842 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.259 40.040-128.232 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.915 40.804-129.057 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.580 42.629-129.819 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.860 41.600-129.209 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.800 40.682-131.326 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.454 39.759-130.689 1.00 0.77 H new ATOM 0 HE2 LYS A 24 54.856 41.510-131.490 1.00 1.46 H new ATOM 0 HE3 LYS A 24 56.193 42.467-132.096 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 55.347 41.209-133.907 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.821 40.482-133.481 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 55.355 39.762-133.018 1.00 2.09 H new ATOM 136 N LEU A 25 58.085 42.301-127.043 1.00 0.47 N ATOM 137 CA LEU A 25 59.329 42.263-126.231 1.00 0.42 C ATOM 138 C LEU A 25 59.152 43.098-124.967 1.00 0.39 C ATOM 139 O LEU A 25 59.375 42.637-123.877 1.00 0.55 O ATOM 140 CB LEU A 25 60.474 42.858-127.049 1.00 0.43 C ATOM 141 CG LEU A 25 61.126 41.781-127.911 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.215 42.275-129.358 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.534 41.506-127.379 1.00 1.03 C ATOM 0 H LEU A 25 58.201 42.651-127.994 1.00 0.47 H new ATOM 0 HA LEU A 25 59.548 41.230-125.959 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.098 43.662-127.682 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.216 43.298-126.382 1.00 0.43 H new ATOM 0 HG LEU A 25 60.533 40.867-127.876 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.681 41.508-129.976 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.213 42.485-129.733 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.815 43.184-129.396 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.009 40.737-127.988 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.125 42.421-127.423 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.472 41.164-126.346 1.00 1.03 H new ATOM 155 N ASN A 26 58.767 44.332-125.118 1.00 0.39 N ATOM 156 CA ASN A 26 58.599 45.189-123.908 1.00 0.37 C ATOM 157 C ASN A 26 57.770 44.413-122.887 1.00 0.40 C ATOM 158 O ASN A 26 58.186 44.167-121.772 1.00 0.40 O ATOM 159 CB ASN A 26 57.879 46.488-124.265 1.00 0.41 C ATOM 160 CG ASN A 26 58.538 47.119-125.492 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.242 46.455-126.227 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.340 48.384-125.746 1.00 0.45 N ATOM 0 H ASN A 26 58.563 44.782-126.011 1.00 0.39 H new ATOM 0 HA ASN A 26 59.578 45.441-123.500 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.827 46.289-124.467 1.00 0.41 H new ATOM 0 HB3 ASN A 26 57.917 47.180-123.423 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.776 48.815-126.561 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.749 48.942-125.129 1.00 0.45 H new ATOM 169 N GLN A 27 56.588 44.043-123.274 1.00 0.44 N ATOM 170 CA GLN A 27 55.691 43.296-122.352 1.00 0.50 C ATOM 171 C GLN A 27 56.480 42.181-121.666 1.00 0.47 C ATOM 172 O GLN A 27 56.465 42.060-120.456 1.00 0.48 O ATOM 173 CB GLN A 27 54.526 42.693-123.140 1.00 0.59 C ATOM 174 CG GLN A 27 53.622 43.815-123.654 1.00 0.58 C ATOM 175 CD GLN A 27 52.525 43.221-124.539 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.749 42.253-125.238 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.338 43.763-124.538 1.00 2.02 N ATOM 0 H GLN A 27 56.198 44.227-124.199 1.00 0.44 H new ATOM 0 HA GLN A 27 55.298 43.978-121.599 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.904 42.105-123.976 1.00 0.59 H new ATOM 0 HB3 GLN A 27 53.956 42.015-122.505 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.177 44.351-122.816 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.209 44.539-124.220 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.149 44.576-123.951 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.599 43.374-125.124 1.00 2.02 H new ATOM 186 N LEU A 28 57.170 41.363-122.414 1.00 0.47 N ATOM 187 CA LEU A 28 57.951 40.261-121.775 1.00 0.47 C ATOM 188 C LEU A 28 59.114 40.860-120.979 1.00 0.39 C ATOM 189 O LEU A 28 59.577 40.301-120.006 1.00 0.50 O ATOM 190 CB LEU A 28 58.504 39.334-122.859 1.00 0.50 C ATOM 191 CG LEU A 28 57.365 38.879-123.773 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.930 38.486-125.139 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.662 37.673-123.147 1.00 1.21 C ATOM 0 H LEU A 28 57.228 41.408-123.431 1.00 0.47 H new ATOM 0 HA LEU A 28 57.302 39.694-121.107 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.266 39.852-123.441 1.00 0.50 H new ATOM 0 HB3 LEU A 28 58.985 38.469-122.402 1.00 0.50 H new ATOM 0 HG LEU A 28 56.652 39.694-123.897 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.117 38.162-125.789 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.432 39.344-125.586 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.644 37.671-125.017 1.00 1.41 H new ATOM 0 HD21 LEU A 28 55.850 37.347-123.797 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.376 36.859-123.023 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.258 37.952-122.174 1.00 1.21 H new ATOM 205 N TRP A 29 59.575 42.002-121.396 1.00 0.37 N ATOM 206 CA TRP A 29 60.698 42.659-120.678 1.00 0.30 C ATOM 207 C TRP A 29 60.203 43.035-119.292 1.00 0.36 C ATOM 208 O TRP A 29 60.697 42.550-118.280 1.00 0.39 O ATOM 209 CB TRP A 29 61.136 43.913-121.434 1.00 0.32 C ATOM 210 CG TRP A 29 62.285 44.561-120.732 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.396 45.888-120.528 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.480 43.954-120.150 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.574 46.143-119.856 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.278 44.984-119.598 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.949 42.628-120.043 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.491 44.712-118.963 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.169 42.353-119.405 1.00 0.37 C ATOM 218 CH2 TRP A 29 65.938 43.392-118.865 1.00 0.41 C ATOM 0 H TRP A 29 59.221 42.511-122.206 1.00 0.37 H new ATOM 0 HA TRP A 29 61.553 41.986-120.608 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.423 43.651-122.453 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.303 44.612-121.507 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.679 46.632-120.840 1.00 0.32 H new ATOM 0 HE1 TRP A 29 63.887 47.075-119.583 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.365 41.818-120.455 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.080 45.517-118.550 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.517 41.333-119.330 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.875 43.173-118.374 1.00 0.41 H new ATOM 229 N GLU A 30 59.215 43.877-119.230 1.00 0.45 N ATOM 230 CA GLU A 30 58.653 44.272-117.919 1.00 0.56 C ATOM 231 C GLU A 30 58.296 43.010-117.139 1.00 0.50 C ATOM 232 O GLU A 30 58.529 42.910-115.950 1.00 0.52 O ATOM 233 CB GLU A 30 57.387 45.100-118.161 1.00 0.68 C ATOM 234 CG GLU A 30 57.763 46.573-118.330 1.00 0.86 C ATOM 235 CD GLU A 30 58.195 47.148-116.979 1.00 1.53 C ATOM 236 OE1 GLU A 30 57.885 46.535-115.971 1.00 2.33 O ATOM 237 OE2 GLU A 30 58.826 48.192-116.977 1.00 2.06 O ATOM 0 H GLU A 30 58.771 44.311-120.039 1.00 0.45 H new ATOM 0 HA GLU A 30 59.376 44.860-117.353 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.870 44.742-119.051 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.698 44.984-117.324 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.571 46.672-119.055 1.00 0.86 H new ATOM 0 HG3 GLU A 30 56.914 47.134-118.721 1.00 0.86 H new ATOM 244 N LYS A 31 57.734 42.042-117.809 1.00 0.46 N ATOM 245 CA LYS A 31 57.361 40.777-117.122 1.00 0.45 C ATOM 246 C LYS A 31 58.596 40.199-116.436 1.00 0.43 C ATOM 247 O LYS A 31 58.577 39.891-115.258 1.00 0.46 O ATOM 248 CB LYS A 31 56.830 39.772-118.142 1.00 0.44 C ATOM 249 CG LYS A 31 55.345 40.037-118.401 1.00 0.91 C ATOM 250 CD LYS A 31 54.702 38.789-119.012 1.00 0.99 C ATOM 251 CE LYS A 31 53.953 39.171-120.289 1.00 1.36 C ATOM 252 NZ LYS A 31 52.925 38.136-120.592 1.00 2.08 N ATOM 0 H LYS A 31 57.517 42.074-118.805 1.00 0.46 H new ATOM 0 HA LYS A 31 56.587 40.979-116.382 1.00 0.45 H new ATOM 0 HB2 LYS A 31 57.392 39.852-119.073 1.00 0.44 H new ATOM 0 HB3 LYS A 31 56.969 38.756-117.773 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.843 40.298-117.469 1.00 0.91 H new ATOM 0 HG3 LYS A 31 55.228 40.886-119.075 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.467 38.046-119.236 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.015 38.335-118.298 1.00 0.99 H new ATOM 0 HE2 LYS A 31 53.479 40.145-120.167 1.00 1.36 H new ATOM 0 HE3 LYS A 31 54.652 39.259-121.121 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.416 38.396-121.461 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.389 37.215-120.725 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.252 38.074-119.802 1.00 2.08 H new ATOM 266 N ALA A 32 59.681 40.048-117.151 1.00 0.41 N ATOM 267 CA ALA A 32 60.891 39.491-116.498 1.00 0.41 C ATOM 268 C ALA A 32 61.224 40.361-115.294 1.00 0.41 C ATOM 269 O ALA A 32 61.190 39.905-114.165 1.00 0.42 O ATOM 270 CB ALA A 32 62.069 39.489-117.470 1.00 0.42 C ATOM 0 H ALA A 32 59.777 40.282-118.139 1.00 0.41 H new ATOM 0 HA ALA A 32 60.701 38.463-116.188 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.949 39.077-116.975 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.823 38.879-118.339 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.278 40.510-117.791 1.00 0.42 H new ATOM 276 N GLN A 33 61.546 41.614-115.495 1.00 0.43 N ATOM 277 CA GLN A 33 61.866 42.457-114.315 1.00 0.47 C ATOM 278 C GLN A 33 60.828 42.180-113.235 1.00 0.49 C ATOM 279 O GLN A 33 61.138 42.112-112.062 1.00 0.53 O ATOM 280 CB GLN A 33 61.825 43.934-114.712 1.00 0.51 C ATOM 281 CG GLN A 33 62.945 44.225-115.715 1.00 0.53 C ATOM 282 CD GLN A 33 62.817 45.662-116.221 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.354 46.578-115.629 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.122 45.903-117.299 1.00 1.23 N ATOM 0 H GLN A 33 61.599 42.076-116.403 1.00 0.43 H new ATOM 0 HA GLN A 33 62.863 42.224-113.942 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.857 44.177-115.151 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.941 44.562-113.829 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.917 44.080-115.243 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.889 43.528-116.551 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.671 45.136-117.797 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.030 46.859-117.644 1.00 1.23 H new ATOM 293 N ARG A 34 59.597 42.009-113.624 1.00 0.49 N ATOM 294 CA ARG A 34 58.539 41.722-112.623 1.00 0.52 C ATOM 295 C ARG A 34 58.896 40.444-111.878 1.00 0.52 C ATOM 296 O ARG A 34 58.709 40.339-110.683 1.00 0.55 O ATOM 297 CB ARG A 34 57.198 41.544-113.329 1.00 0.56 C ATOM 298 CG ARG A 34 56.293 42.739-113.023 1.00 0.67 C ATOM 299 CD ARG A 34 55.845 42.678-111.562 1.00 1.59 C ATOM 300 NE ARG A 34 54.375 42.925-111.475 1.00 1.96 N ATOM 301 CZ ARG A 34 53.810 43.846-112.212 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.535 44.604-112.987 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.519 44.020-112.156 1.00 3.58 N ATOM 0 H ARG A 34 59.279 42.056-114.592 1.00 0.49 H new ATOM 0 HA ARG A 34 58.465 42.551-111.920 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.351 41.457-114.405 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.722 40.621-112.999 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.826 43.671-113.212 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.425 42.729-113.682 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.085 41.703-111.138 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.384 43.422-110.975 1.00 1.59 H new ATOM 0 HE ARG A 34 53.806 42.370-110.835 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.547 44.480-113.020 1.00 3.42 H new ATOM 0 HH12 ARG A 34 54.090 45.321-113.560 1.00 3.42 H new ATOM 0 HH21 ARG A 34 51.952 43.439-111.539 1.00 3.58 H new ATOM 0 HH22 ARG A 34 52.076 44.738-112.730 1.00 3.58 H new ATOM 317 N LEU A 35 59.451 39.485-112.562 1.00 0.50 N ATOM 318 CA LEU A 35 59.861 38.243-111.863 1.00 0.54 C ATOM 319 C LEU A 35 61.119 38.583-111.079 1.00 0.55 C ATOM 320 O LEU A 35 61.553 37.856-110.208 1.00 0.61 O ATOM 321 CB LEU A 35 60.159 37.139-112.881 1.00 0.57 C ATOM 322 CG LEU A 35 58.970 36.979-113.829 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.983 35.575-114.435 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.667 37.185-113.052 1.00 0.84 C ATOM 0 H LEU A 35 59.636 39.508-113.565 1.00 0.50 H new ATOM 0 HA LEU A 35 59.071 37.882-111.205 1.00 0.54 H new ATOM 0 HB2 LEU A 35 61.057 37.385-113.447 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.355 36.199-112.366 1.00 0.57 H new ATOM 0 HG LEU A 35 59.041 37.719-114.626 1.00 0.68 H new ATOM 0 HD11 LEU A 35 58.135 35.462-115.110 1.00 1.20 H new ATOM 0 HD12 LEU A 35 59.910 35.426-114.989 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.913 34.834-113.638 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.819 37.071-113.727 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.598 36.445-112.255 1.00 0.84 H new ATOM 0 HD23 LEU A 35 57.655 38.186-112.620 1.00 0.84 H new ATOM 336 N HIS A 36 61.692 39.710-111.396 1.00 0.53 N ATOM 337 CA HIS A 36 62.930 40.166-110.692 1.00 0.58 C ATOM 338 C HIS A 36 64.077 39.177-110.915 1.00 0.49 C ATOM 339 O HIS A 36 64.557 38.543-109.995 1.00 1.37 O ATOM 340 CB HIS A 36 62.648 40.292-109.193 1.00 0.98 C ATOM 341 CG HIS A 36 62.096 41.661-108.898 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.741 42.552-108.055 1.00 1.89 N ATOM 343 CD2 HIS A 36 60.960 42.304-109.326 1.00 1.60 C ATOM 344 CE1 HIS A 36 61.996 43.671-108.003 1.00 2.32 C ATOM 345 NE2 HIS A 36 60.899 43.573-108.759 1.00 2.17 N ATOM 0 H HIS A 36 61.354 40.344-112.120 1.00 0.53 H new ATOM 0 HA HIS A 36 63.223 41.135-111.097 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.937 39.527-108.881 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.564 40.128-108.625 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.226 41.888-110.000 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.254 44.543-107.420 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.173 44.277-108.892 1.00 2.17 H new ATOM 353 N LEU A 37 64.510 39.037-112.135 1.00 0.59 N ATOM 354 CA LEU A 37 65.619 38.080-112.413 1.00 0.43 C ATOM 355 C LEU A 37 66.947 38.809-112.197 1.00 0.44 C ATOM 356 O LEU A 37 67.143 39.901-112.693 1.00 0.42 O ATOM 357 CB LEU A 37 65.576 37.603-113.866 1.00 0.53 C ATOM 358 CG LEU A 37 64.154 37.218-114.262 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.472 38.419-114.917 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.210 36.066-115.266 1.00 0.82 C ATOM 0 H LEU A 37 64.149 39.538-112.947 1.00 0.59 H new ATOM 0 HA LEU A 37 65.517 37.221-111.750 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.942 38.391-114.524 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.239 36.747-113.994 1.00 0.53 H new ATOM 0 HG LEU A 37 63.594 36.913-113.378 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.455 38.149-115.202 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.443 39.250-114.212 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.031 38.715-115.805 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.197 35.785-115.554 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.765 36.381-116.150 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.708 35.210-114.810 1.00 0.82 H new ATOM 372 N PRO A 38 67.859 38.219-111.462 1.00 0.57 N ATOM 373 CA PRO A 38 69.170 38.865-111.208 1.00 0.66 C ATOM 374 C PRO A 38 69.763 39.417-112.495 1.00 0.58 C ATOM 375 O PRO A 38 69.424 38.975-113.566 1.00 0.52 O ATOM 376 CB PRO A 38 70.008 37.704-110.674 1.00 0.81 C ATOM 377 CG PRO A 38 69.059 36.552-110.310 1.00 0.82 C ATOM 378 CD PRO A 38 67.660 36.879-110.851 1.00 0.69 C ATOM 0 HA PRO A 38 69.114 39.714-110.527 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.729 37.379-111.424 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.578 38.018-109.799 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.420 35.616-110.736 1.00 0.82 H new ATOM 0 HG3 PRO A 38 69.024 36.418-109.229 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.326 36.144-111.583 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.913 36.901-110.058 1.00 0.69 H new ATOM 386 N PRO A 39 70.641 40.368-112.401 1.00 0.62 N ATOM 387 CA PRO A 39 71.261 40.942-113.616 1.00 0.60 C ATOM 388 C PRO A 39 71.793 39.843-114.534 1.00 0.53 C ATOM 389 O PRO A 39 71.528 39.818-115.709 1.00 0.51 O ATOM 390 CB PRO A 39 72.397 41.788-113.037 1.00 0.74 C ATOM 391 CG PRO A 39 72.247 41.833-111.508 1.00 0.81 C ATOM 392 CD PRO A 39 71.081 40.926-111.099 1.00 0.74 C ATOM 0 HA PRO A 39 70.568 41.514-114.233 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.362 41.362-113.310 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.366 42.796-113.450 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.168 41.502-111.029 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.064 42.855-111.177 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.397 40.145-110.408 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.285 41.484-110.606 1.00 0.74 H new ATOM 400 N VAL A 40 72.575 38.962-113.994 1.00 0.52 N ATOM 401 CA VAL A 40 73.180 37.868-114.802 1.00 0.47 C ATOM 402 C VAL A 40 72.102 37.128-115.588 1.00 0.41 C ATOM 403 O VAL A 40 72.155 37.017-116.805 1.00 0.37 O ATOM 404 CB VAL A 40 73.888 36.890-113.857 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.887 35.871-113.308 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.999 36.160-114.614 1.00 0.50 C ATOM 0 H VAL A 40 72.828 38.950-113.006 1.00 0.52 H new ATOM 0 HA VAL A 40 73.894 38.293-115.508 1.00 0.47 H new ATOM 0 HB VAL A 40 74.319 37.448-113.026 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.400 35.181-112.638 1.00 0.50 H new ATOM 0 HG12 VAL A 40 72.101 36.391-112.760 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.445 35.313-114.134 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.502 35.465-113.941 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.568 35.609-115.450 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.720 36.886-114.991 1.00 0.50 H new ATOM 416 N ARG A 41 71.110 36.634-114.915 1.00 0.42 N ATOM 417 CA ARG A 41 70.029 35.910-115.626 1.00 0.40 C ATOM 418 C ARG A 41 69.201 36.921-116.399 1.00 0.34 C ATOM 419 O ARG A 41 68.535 36.594-117.367 1.00 0.30 O ATOM 420 CB ARG A 41 69.141 35.184-114.614 1.00 0.46 C ATOM 421 CG ARG A 41 68.012 34.461-115.352 1.00 0.87 C ATOM 422 CD ARG A 41 67.329 33.476-114.401 1.00 1.00 C ATOM 423 NE ARG A 41 66.606 34.231-113.339 1.00 1.53 N ATOM 424 CZ ARG A 41 65.713 33.628-112.604 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.451 32.364-112.800 1.00 2.54 N ATOM 426 NH2 ARG A 41 65.081 34.288-111.672 1.00 3.12 N ATOM 0 H ARG A 41 71.000 36.700-113.903 1.00 0.42 H new ATOM 0 HA ARG A 41 70.458 35.176-116.309 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.733 34.469-114.042 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.726 35.897-113.901 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.287 35.184-115.726 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.410 33.931-116.217 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.632 32.845-114.953 1.00 1.00 H new ATOM 0 HD3 ARG A 41 68.070 32.815-113.952 1.00 1.00 H new ATOM 0 HE ARG A 41 66.809 35.219-113.187 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.945 31.848-113.528 1.00 2.54 H new ATOM 0 HH12 ARG A 41 64.753 31.893-112.225 1.00 2.54 H new ATOM 0 HH21 ARG A 41 65.285 35.275-111.518 1.00 3.12 H new ATOM 0 HH22 ARG A 41 64.383 33.816-111.097 1.00 3.12 H new ATOM 440 N LEU A 42 69.248 38.160-115.995 1.00 0.35 N ATOM 441 CA LEU A 42 68.468 39.181-116.731 1.00 0.30 C ATOM 442 C LEU A 42 69.262 39.586-117.961 1.00 0.31 C ATOM 443 O LEU A 42 68.713 40.044-118.933 1.00 0.49 O ATOM 444 CB LEU A 42 68.173 40.396-115.854 1.00 0.32 C ATOM 445 CG LEU A 42 66.911 41.086-116.387 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.667 40.337-115.917 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.847 42.521-115.861 1.00 0.60 C ATOM 0 H LEU A 42 69.786 38.502-115.199 1.00 0.35 H new ATOM 0 HA LEU A 42 67.506 38.762-117.025 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.028 40.089-114.818 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.016 41.086-115.867 1.00 0.32 H new ATOM 0 HG LEU A 42 66.948 41.089-117.476 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.776 40.834-116.300 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.698 39.312-116.287 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.637 40.329-114.827 1.00 0.43 H new ATOM 0 HD21 LEU A 42 65.949 43.008-116.242 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.819 42.508-114.771 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.727 43.070-116.195 1.00 0.60 H new ATOM 459 N ALA A 43 70.548 39.366-117.953 1.00 0.30 N ATOM 460 CA ALA A 43 71.349 39.677-119.155 1.00 0.30 C ATOM 461 C ALA A 43 71.083 38.522-120.101 1.00 0.29 C ATOM 462 O ALA A 43 71.066 38.654-121.300 1.00 0.28 O ATOM 463 CB ALA A 43 72.836 39.739-118.797 1.00 0.36 C ATOM 0 H ALA A 43 71.072 38.985-117.165 1.00 0.30 H new ATOM 0 HA ALA A 43 71.087 40.640-119.593 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.416 39.969-119.691 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.998 40.516-118.049 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.154 38.777-118.396 1.00 0.36 H new ATOM 469 N GLU A 44 70.856 37.375-119.531 1.00 0.30 N ATOM 470 CA GLU A 44 70.551 36.204-120.384 1.00 0.32 C ATOM 471 C GLU A 44 69.230 36.505-121.103 1.00 0.30 C ATOM 472 O GLU A 44 69.181 36.610-122.312 1.00 0.34 O ATOM 473 CB GLU A 44 70.407 34.948-119.522 1.00 0.37 C ATOM 474 CG GLU A 44 70.298 33.717-120.424 1.00 1.15 C ATOM 475 CD GLU A 44 71.699 33.184-120.732 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.585 33.403-119.923 1.00 2.92 O ATOM 477 OE2 GLU A 44 71.861 32.566-121.771 1.00 2.80 O ATOM 0 H GLU A 44 70.868 37.201-118.526 1.00 0.30 H new ATOM 0 HA GLU A 44 71.352 36.026-121.101 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.266 34.850-118.858 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.523 35.028-118.890 1.00 0.37 H new ATOM 0 HG2 GLU A 44 69.704 32.946-119.934 1.00 1.15 H new ATOM 0 HG3 GLU A 44 69.784 33.976-121.350 1.00 1.15 H new ATOM 484 N LEU A 45 68.156 36.632-120.367 1.00 0.28 N ATOM 485 CA LEU A 45 66.830 36.915-121.012 1.00 0.29 C ATOM 486 C LEU A 45 66.810 38.316-121.640 1.00 0.24 C ATOM 487 O LEU A 45 66.168 38.538-122.645 1.00 0.25 O ATOM 488 CB LEU A 45 65.713 36.827-119.972 1.00 0.34 C ATOM 489 CG LEU A 45 64.365 37.025-120.668 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.866 35.685-121.212 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.349 37.578-119.668 1.00 0.77 C ATOM 0 H LEU A 45 68.135 36.553-119.350 1.00 0.28 H new ATOM 0 HA LEU A 45 66.674 36.172-121.794 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.740 35.859-119.472 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.854 37.586-119.203 1.00 0.34 H new ATOM 0 HG LEU A 45 64.485 37.729-121.492 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.906 35.828-121.707 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.588 35.291-121.927 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.748 34.980-120.389 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.389 37.719-120.165 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.231 36.875-118.843 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.702 38.535-119.282 1.00 0.77 H new ATOM 503 N HIS A 46 67.526 39.251-121.080 1.00 0.21 N ATOM 504 CA HIS A 46 67.551 40.615-121.687 1.00 0.20 C ATOM 505 C HIS A 46 68.382 40.544-122.968 1.00 0.19 C ATOM 506 O HIS A 46 67.966 40.975-124.024 1.00 0.21 O ATOM 507 CB HIS A 46 68.180 41.621-120.719 1.00 0.23 C ATOM 508 CG HIS A 46 68.105 43.000-121.316 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.229 43.668-121.776 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.049 43.850-121.534 1.00 0.27 C ATOM 511 CE1 HIS A 46 68.828 44.864-122.244 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.507 45.027-122.120 1.00 0.31 N ATOM 0 H HIS A 46 68.090 39.134-120.238 1.00 0.21 H new ATOM 0 HA HIS A 46 66.535 40.943-121.904 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.658 41.598-119.762 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.218 41.353-120.522 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.019 43.638-121.288 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.492 45.602-122.668 1.00 0.35 H new ATOM 0 HE2 HIS A 46 66.954 45.839-122.395 1.00 0.31 H new ATOM 520 N ALA A 47 69.551 39.978-122.871 1.00 0.19 N ATOM 521 CA ALA A 47 70.431 39.834-124.064 1.00 0.22 C ATOM 522 C ALA A 47 69.668 39.080-125.145 1.00 0.21 C ATOM 523 O ALA A 47 69.459 39.573-126.234 1.00 0.22 O ATOM 524 CB ALA A 47 71.682 39.040-123.679 1.00 0.27 C ATOM 0 H ALA A 47 69.940 39.604-122.005 1.00 0.19 H new ATOM 0 HA ALA A 47 70.725 40.817-124.431 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.328 38.933-124.551 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.220 39.568-122.891 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.390 38.053-123.320 1.00 0.27 H new ATOM 530 N ASP A 48 69.233 37.889-124.846 1.00 0.22 N ATOM 531 CA ASP A 48 68.463 37.113-125.852 1.00 0.25 C ATOM 532 C ASP A 48 67.317 37.992-126.340 1.00 0.22 C ATOM 533 O ASP A 48 67.136 38.203-127.521 1.00 0.25 O ATOM 534 CB ASP A 48 67.904 35.842-125.209 1.00 0.28 C ATOM 535 CG ASP A 48 69.053 35.011-124.635 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.182 35.239-125.040 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.786 34.162-123.801 1.00 0.94 O ATOM 0 H ASP A 48 69.377 37.422-123.951 1.00 0.22 H new ATOM 0 HA ASP A 48 69.105 36.826-126.685 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.199 36.101-124.419 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.354 35.260-125.948 1.00 0.28 H new ATOM 542 N LEU A 49 66.555 38.529-125.427 1.00 0.19 N ATOM 543 CA LEU A 49 65.438 39.417-125.837 1.00 0.19 C ATOM 544 C LEU A 49 65.989 40.420-126.850 1.00 0.18 C ATOM 545 O LEU A 49 65.358 40.729-127.841 1.00 0.19 O ATOM 546 CB LEU A 49 64.876 40.154-124.617 1.00 0.18 C ATOM 547 CG LEU A 49 63.647 39.404-124.085 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.858 37.893-124.209 1.00 1.06 C ATOM 549 CD2 LEU A 49 63.428 39.764-122.613 1.00 0.89 C ATOM 0 H LEU A 49 66.659 38.391-124.422 1.00 0.19 H new ATOM 0 HA LEU A 49 64.631 38.834-126.280 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.637 40.224-123.839 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.603 41.174-124.889 1.00 0.18 H new ATOM 0 HG LEU A 49 62.774 39.693-124.671 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.980 37.371-123.829 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.010 37.632-125.256 1.00 1.06 H new ATOM 0 HD13 LEU A 49 64.734 37.599-123.631 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.555 39.232-122.234 1.00 0.89 H new ATOM 0 HD22 LEU A 49 64.306 39.479-122.034 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.266 40.838-122.521 1.00 0.89 H new ATOM 561 N LYS A 50 67.184 40.907-126.628 1.00 0.20 N ATOM 562 CA LYS A 50 67.784 41.857-127.603 1.00 0.21 C ATOM 563 C LYS A 50 68.021 41.095-128.903 1.00 0.23 C ATOM 564 O LYS A 50 67.531 41.458-129.950 1.00 0.24 O ATOM 565 CB LYS A 50 69.116 42.391-127.068 1.00 0.24 C ATOM 566 CG LYS A 50 68.904 43.014-125.686 1.00 0.36 C ATOM 567 CD LYS A 50 69.261 44.502-125.732 1.00 0.84 C ATOM 568 CE LYS A 50 70.779 44.666-125.628 1.00 1.09 C ATOM 569 NZ LYS A 50 71.449 43.588-126.409 1.00 1.84 N ATOM 0 H LYS A 50 67.764 40.687-125.818 1.00 0.20 H new ATOM 0 HA LYS A 50 67.117 42.704-127.767 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.844 41.582-127.005 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.523 43.134-127.754 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.867 42.888-125.375 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.523 42.504-124.948 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.899 44.945-126.660 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.771 45.030-124.914 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.077 45.644-126.007 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.090 44.621-124.584 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.477 43.747-126.409 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.242 42.665-125.976 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.097 43.598-127.388 1.00 1.84 H new ATOM 583 N ILE A 51 68.762 40.027-128.839 1.00 0.25 N ATOM 584 CA ILE A 51 69.002 39.250-130.081 1.00 0.27 C ATOM 585 C ILE A 51 67.655 39.156-130.794 1.00 0.26 C ATOM 586 O ILE A 51 67.484 39.639-131.906 1.00 0.25 O ATOM 587 CB ILE A 51 69.509 37.849-129.732 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.032 37.883-129.578 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.134 36.877-130.852 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.413 38.903-128.502 1.00 0.30 C ATOM 0 H ILE A 51 69.205 39.664-127.995 1.00 0.25 H new ATOM 0 HA ILE A 51 69.753 39.728-130.711 1.00 0.27 H new ATOM 0 HB ILE A 51 69.054 37.520-128.797 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.403 36.895-129.305 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.498 38.148-130.527 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.495 35.879-130.604 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.050 36.853-130.965 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.589 37.205-131.786 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.497 38.928-128.392 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.055 39.890-128.794 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.958 38.618-127.553 1.00 0.30 H new ATOM 602 N GLN A 52 66.676 38.574-130.154 1.00 0.26 N ATOM 603 CA GLN A 52 65.340 38.496-130.780 1.00 0.27 C ATOM 604 C GLN A 52 64.912 39.910-131.164 1.00 0.24 C ATOM 605 O GLN A 52 64.116 40.097-132.050 1.00 0.26 O ATOM 606 CB GLN A 52 64.339 37.906-129.785 1.00 0.32 C ATOM 607 CG GLN A 52 63.173 37.276-130.547 1.00 0.45 C ATOM 608 CD GLN A 52 63.631 35.962-131.184 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.651 34.935-130.537 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.006 35.952-132.433 1.00 0.48 N ATOM 0 H GLN A 52 66.751 38.153-129.228 1.00 0.26 H new ATOM 0 HA GLN A 52 65.373 37.859-131.664 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.828 37.156-129.163 1.00 0.32 H new ATOM 0 HB3 GLN A 52 63.972 38.685-129.117 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.339 37.093-129.870 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.815 37.960-131.316 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.989 36.814-132.977 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.316 35.082-132.866 1.00 0.48 H new ATOM 619 N GLU A 53 65.431 40.912-130.496 1.00 0.23 N ATOM 620 CA GLU A 53 65.044 42.308-130.850 1.00 0.23 C ATOM 621 C GLU A 53 65.705 42.687-132.173 1.00 0.20 C ATOM 622 O GLU A 53 65.146 43.405-132.971 1.00 0.21 O ATOM 623 CB GLU A 53 65.506 43.293-129.778 1.00 0.25 C ATOM 624 CG GLU A 53 65.129 44.711-130.219 1.00 0.28 C ATOM 625 CD GLU A 53 66.332 45.646-130.054 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.371 45.177-129.622 1.00 1.04 O ATOM 627 OE2 GLU A 53 66.191 46.818-130.365 1.00 1.09 O ATOM 0 H GLU A 53 66.098 40.823-129.730 1.00 0.23 H new ATOM 0 HA GLU A 53 63.958 42.355-130.929 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.038 43.058-128.822 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.584 43.216-129.633 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.804 44.703-131.259 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.290 45.075-129.625 1.00 0.28 H new ATOM 634 N ARG A 54 66.891 42.210-132.416 1.00 0.22 N ATOM 635 CA ARG A 54 67.575 42.542-133.693 1.00 0.22 C ATOM 636 C ARG A 54 66.848 41.838-134.829 1.00 0.20 C ATOM 637 O ARG A 54 66.720 42.350-135.925 1.00 0.21 O ATOM 638 CB ARG A 54 69.014 42.037-133.635 1.00 0.24 C ATOM 639 CG ARG A 54 69.843 42.959-132.744 1.00 0.27 C ATOM 640 CD ARG A 54 71.287 43.000-133.250 1.00 0.85 C ATOM 641 NE ARG A 54 72.175 43.518-132.173 1.00 1.55 N ATOM 642 CZ ARG A 54 73.468 43.367-132.264 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.982 42.762-133.299 1.00 2.40 N ATOM 644 NH2 ARG A 54 74.246 43.820-131.320 1.00 3.03 N ATOM 0 H ARG A 54 67.416 41.604-131.785 1.00 0.22 H new ATOM 0 HA ARG A 54 67.570 43.620-133.853 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.038 41.019-133.245 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.440 42.004-134.638 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.418 43.963-132.746 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.818 42.605-131.714 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.607 42.002-133.551 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.357 43.637-134.132 1.00 0.85 H new ATOM 0 HE ARG A 54 71.773 43.991-131.364 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.373 42.407-134.037 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.993 42.644-133.371 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.844 44.292-130.510 1.00 3.03 H new ATOM 0 HH22 ARG A 54 75.257 43.702-131.391 1.00 3.03 H new ATOM 658 N ASP A 55 66.341 40.676-134.551 1.00 0.20 N ATOM 659 CA ASP A 55 65.588 39.924-135.596 1.00 0.21 C ATOM 660 C ASP A 55 64.134 40.407-135.612 1.00 0.21 C ATOM 661 O ASP A 55 63.507 40.506-136.651 1.00 0.20 O ATOM 662 CB ASP A 55 65.629 38.428-135.276 1.00 0.25 C ATOM 663 CG ASP A 55 67.068 37.921-135.384 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.936 38.724-135.684 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.276 36.740-135.165 1.00 0.84 O ATOM 0 H ASP A 55 66.413 40.210-133.647 1.00 0.20 H new ATOM 0 HA ASP A 55 66.041 40.096-136.572 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.244 38.250-134.272 1.00 0.25 H new ATOM 0 HB3 ASP A 55 64.987 37.880-135.966 1.00 0.25 H new ATOM 670 N GLU A 56 63.604 40.736-134.468 1.00 0.27 N ATOM 671 CA GLU A 56 62.205 41.232-134.401 1.00 0.32 C ATOM 672 C GLU A 56 62.163 42.620-135.012 1.00 0.30 C ATOM 673 O GLU A 56 61.363 42.906-135.875 1.00 0.31 O ATOM 674 CB GLU A 56 61.739 41.293-132.946 1.00 0.39 C ATOM 675 CG GLU A 56 61.261 39.910-132.503 1.00 0.44 C ATOM 676 CD GLU A 56 59.845 39.666-133.028 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.318 40.549-133.686 1.00 1.72 O ATOM 678 OE2 GLU A 56 59.311 38.602-132.762 1.00 1.39 O ATOM 0 H GLU A 56 64.085 40.682-133.570 1.00 0.27 H new ATOM 0 HA GLU A 56 61.544 40.559-134.947 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.555 41.629-132.306 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.932 42.018-132.842 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.937 39.142-132.879 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.274 39.840-131.415 1.00 0.44 H new ATOM 685 N LEU A 57 63.046 43.481-134.602 1.00 0.30 N ATOM 686 CA LEU A 57 63.061 44.828-135.210 1.00 0.32 C ATOM 687 C LEU A 57 63.412 44.643-136.682 1.00 0.28 C ATOM 688 O LEU A 57 62.750 45.155-137.558 1.00 0.29 O ATOM 689 CB LEU A 57 64.099 45.719-134.525 1.00 0.36 C ATOM 690 CG LEU A 57 63.460 46.398-133.313 1.00 0.50 C ATOM 691 CD1 LEU A 57 62.624 45.380-132.535 1.00 1.08 C ATOM 692 CD2 LEU A 57 64.555 46.960-132.404 1.00 1.22 C ATOM 0 H LEU A 57 63.748 43.311-133.882 1.00 0.30 H new ATOM 0 HA LEU A 57 62.092 45.314-135.095 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.957 45.124-134.213 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.469 46.469-135.224 1.00 0.36 H new ATOM 0 HG LEU A 57 62.817 47.210-133.652 1.00 0.50 H new ATOM 0 HD11 LEU A 57 62.170 45.866-131.672 1.00 1.08 H new ATOM 0 HD12 LEU A 57 61.841 44.982-133.181 1.00 1.08 H new ATOM 0 HD13 LEU A 57 63.265 44.565-132.197 1.00 1.08 H new ATOM 0 HD21 LEU A 57 64.098 47.444-131.541 1.00 1.22 H new ATOM 0 HD22 LEU A 57 65.200 46.149-132.067 1.00 1.22 H new ATOM 0 HD23 LEU A 57 65.148 47.689-132.957 1.00 1.22 H new ATOM 704 N ALA A 58 64.425 43.865-136.971 1.00 0.25 N ATOM 705 CA ALA A 58 64.752 43.619-138.396 1.00 0.24 C ATOM 706 C ALA A 58 63.471 43.113-139.053 1.00 0.21 C ATOM 707 O ALA A 58 63.227 43.309-140.230 1.00 0.21 O ATOM 708 CB ALA A 58 65.850 42.558-138.506 1.00 0.24 C ATOM 0 H ALA A 58 65.026 43.400-136.291 1.00 0.25 H new ATOM 0 HA ALA A 58 65.114 44.526-138.880 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.084 42.384-139.556 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.744 42.905-137.988 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.505 41.629-138.052 1.00 0.24 H new ATOM 714 N TRP A 59 62.623 42.500-138.269 1.00 0.19 N ATOM 715 CA TRP A 59 61.336 42.025-138.831 1.00 0.18 C ATOM 716 C TRP A 59 60.433 43.237-139.055 1.00 0.20 C ATOM 717 O TRP A 59 60.043 43.531-140.168 1.00 0.30 O ATOM 718 CB TRP A 59 60.636 41.032-137.906 1.00 0.19 C ATOM 719 CG TRP A 59 59.421 40.547-138.622 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.408 39.566-139.552 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.052 41.024-138.508 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.122 39.423-140.033 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.245 40.293-139.411 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.438 42.010-137.716 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.875 40.534-139.525 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.062 42.253-137.826 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.281 41.517-138.728 1.00 0.39 C ATOM 0 H TRP A 59 62.768 42.312-137.277 1.00 0.19 H new ATOM 0 HA TRP A 59 61.539 41.507-139.768 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.297 40.200-137.663 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.364 41.509-136.964 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.264 38.988-139.867 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.852 38.758-140.758 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.030 42.584-137.019 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.279 39.966-140.223 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.600 43.012-137.212 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.221 41.709-138.807 1.00 0.39 H new ATOM 738 N LYS A 60 60.083 43.947-138.012 1.00 0.27 N ATOM 739 CA LYS A 60 59.201 45.124-138.213 1.00 0.30 C ATOM 740 C LYS A 60 59.704 45.858-139.456 1.00 0.29 C ATOM 741 O LYS A 60 58.938 46.379-140.246 1.00 0.31 O ATOM 742 CB LYS A 60 59.267 46.054-136.994 1.00 0.38 C ATOM 743 CG LYS A 60 60.460 47.001-137.127 1.00 0.42 C ATOM 744 CD LYS A 60 60.803 47.592-135.757 1.00 1.08 C ATOM 745 CE LYS A 60 59.960 48.845-135.516 1.00 1.53 C ATOM 746 NZ LYS A 60 58.536 48.454-135.314 1.00 2.27 N ATOM 0 H LYS A 60 60.366 43.764-137.049 1.00 0.27 H new ATOM 0 HA LYS A 60 58.165 44.809-138.338 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.344 46.627-136.912 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.358 45.466-136.081 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.320 46.465-137.528 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.226 47.800-137.831 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.613 46.857-134.974 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.863 47.840-135.711 1.00 1.08 H new ATOM 0 HE2 LYS A 60 60.328 49.382-134.642 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.045 49.523-136.365 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.097 49.090-134.618 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 58.025 48.524-136.217 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.491 47.475-134.965 1.00 2.27 H new ATOM 760 N LYS A 61 60.996 45.859-139.660 1.00 0.28 N ATOM 761 CA LYS A 61 61.554 46.516-140.869 1.00 0.30 C ATOM 762 C LYS A 61 61.313 45.599-142.065 1.00 0.27 C ATOM 763 O LYS A 61 61.149 46.054-143.180 1.00 0.35 O ATOM 764 CB LYS A 61 63.055 46.750-140.693 1.00 0.35 C ATOM 765 CG LYS A 61 63.314 47.433-139.351 1.00 0.40 C ATOM 766 CD LYS A 61 64.229 48.643-139.561 1.00 0.77 C ATOM 767 CE LYS A 61 64.703 49.167-138.204 1.00 1.42 C ATOM 768 NZ LYS A 61 66.132 49.579-138.303 1.00 2.43 N ATOM 0 H LYS A 61 61.684 45.433-139.040 1.00 0.28 H new ATOM 0 HA LYS A 61 61.069 47.480-141.027 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.589 45.801-140.738 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.435 47.368-141.506 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.372 47.750-138.904 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.776 46.731-138.657 1.00 0.40 H new ATOM 0 HD2 LYS A 61 65.086 48.362-140.174 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.695 49.427-140.099 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.090 50.013-137.894 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.588 48.395-137.443 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.455 49.935-137.381 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.711 48.761-138.580 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.228 50.329-139.017 1.00 2.43 H new ATOM 782 N LEU A 62 61.247 44.307-141.846 1.00 0.24 N ATOM 783 CA LEU A 62 60.968 43.383-142.978 1.00 0.24 C ATOM 784 C LEU A 62 59.560 43.671-143.478 1.00 0.24 C ATOM 785 O LEU A 62 59.350 44.068-144.608 1.00 0.26 O ATOM 786 CB LEU A 62 60.999 41.930-142.489 1.00 0.24 C ATOM 787 CG LEU A 62 62.424 41.381-142.507 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.527 40.215-141.522 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.747 40.876-143.910 1.00 0.41 C ATOM 0 H LEU A 62 61.374 43.860-140.938 1.00 0.24 H new ATOM 0 HA LEU A 62 61.714 43.526-143.759 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.596 41.873-141.478 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.360 41.315-143.122 1.00 0.24 H new ATOM 0 HG LEU A 62 63.125 42.167-142.224 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.543 39.820-141.531 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.282 40.564-140.519 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.829 39.430-141.813 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.763 40.483-143.930 1.00 0.41 H new ATOM 0 HD22 LEU A 62 62.047 40.086-144.183 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.662 41.698-144.621 1.00 0.41 H new ATOM 801 N LYS A 63 58.588 43.462-142.630 1.00 0.24 N ATOM 802 CA LYS A 63 57.184 43.709-143.041 1.00 0.26 C ATOM 803 C LYS A 63 57.055 45.156-143.522 1.00 0.29 C ATOM 804 O LYS A 63 56.276 45.451-144.406 1.00 0.30 O ATOM 805 CB LYS A 63 56.234 43.451-141.865 1.00 0.34 C ATOM 806 CG LYS A 63 56.142 44.694-140.983 1.00 0.46 C ATOM 807 CD LYS A 63 55.186 44.431-139.820 1.00 0.41 C ATOM 808 CE LYS A 63 54.161 45.563-139.735 1.00 0.58 C ATOM 809 NZ LYS A 63 53.125 45.220-138.720 1.00 1.20 N ATOM 0 H LYS A 63 58.710 43.131-141.673 1.00 0.24 H new ATOM 0 HA LYS A 63 56.915 43.031-143.851 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.245 43.186-142.238 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.591 42.605-141.278 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.129 44.956-140.603 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.791 45.543-141.570 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.679 43.477-139.961 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.744 44.360-138.886 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.655 46.496-139.465 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.695 45.720-140.708 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.428 45.989-138.662 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 52.646 44.339-138.997 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.577 45.092-137.792 1.00 1.20 H new ATOM 823 N LEU A 64 57.828 46.070-142.976 1.00 0.33 N ATOM 824 CA LEU A 64 57.749 47.484-143.446 1.00 0.43 C ATOM 825 C LEU A 64 58.267 47.577-144.880 1.00 0.52 C ATOM 826 O LEU A 64 57.647 48.171-145.739 1.00 0.75 O ATOM 827 CB LEU A 64 58.616 48.373-142.542 1.00 0.38 C ATOM 828 CG LEU A 64 57.805 48.899-141.350 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.116 50.207-141.742 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.747 47.877-140.943 1.00 1.23 C ATOM 0 H LEU A 64 58.503 45.895-142.232 1.00 0.33 H new ATOM 0 HA LEU A 64 56.712 47.818-143.408 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.473 47.805-142.181 1.00 0.38 H new ATOM 0 HB3 LEU A 64 59.008 49.211-143.118 1.00 0.38 H new ATOM 0 HG LEU A 64 58.479 49.071-140.511 1.00 0.50 H new ATOM 0 HD11 LEU A 64 56.539 50.582-140.896 1.00 1.10 H new ATOM 0 HD12 LEU A 64 57.868 50.944-142.024 1.00 1.10 H new ATOM 0 HD13 LEU A 64 56.449 50.028-142.585 1.00 1.10 H new ATOM 0 HD21 LEU A 64 56.177 48.260-140.096 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.074 47.696-141.781 1.00 1.23 H new ATOM 0 HD23 LEU A 64 57.233 46.943-140.660 1.00 1.23 H new ATOM 842 N ASP A 65 59.410 47.007-145.142 1.00 0.45 N ATOM 843 CA ASP A 65 59.983 47.074-146.516 1.00 0.60 C ATOM 844 C ASP A 65 59.271 46.081-147.438 1.00 0.96 C ATOM 845 O ASP A 65 59.451 46.105-148.640 1.00 0.98 O ATOM 846 CB ASP A 65 61.473 46.734-146.460 1.00 0.53 C ATOM 847 CG ASP A 65 62.224 47.846-145.725 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.636 48.894-145.520 1.00 1.31 O ATOM 849 OD2 ASP A 65 63.374 47.630-145.382 1.00 1.14 O ATOM 0 H ASP A 65 59.974 46.496-144.462 1.00 0.45 H new ATOM 0 HA ASP A 65 59.846 48.082-146.908 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.621 45.782-145.950 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.869 46.619-147.469 1.00 0.53 H new ATOM 854 N GLY A 66 58.458 45.212-146.900 1.00 1.30 N ATOM 855 CA GLY A 66 57.741 44.235-147.769 1.00 1.72 C ATOM 856 C GLY A 66 58.658 43.057-148.110 1.00 0.91 C ATOM 857 O GLY A 66 58.893 42.759-149.264 1.00 1.14 O ATOM 0 H GLY A 66 58.260 45.136-145.902 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.847 43.874-147.261 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.411 44.726-148.685 1.00 1.72 H new ATOM 861 N LEU A 67 59.170 42.374-147.120 1.00 0.37 N ATOM 862 CA LEU A 67 60.059 41.212-147.405 1.00 1.03 C ATOM 863 C LEU A 67 59.300 39.918-147.109 1.00 0.91 C ATOM 864 O LEU A 67 59.318 38.984-147.885 1.00 1.09 O ATOM 865 CB LEU A 67 61.309 41.295-146.535 1.00 1.69 C ATOM 866 CG LEU A 67 62.363 42.151-147.242 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.759 41.487-148.562 1.00 2.52 C ATOM 868 CD2 LEU A 67 61.785 43.540-147.523 1.00 2.68 C ATOM 0 H LEU A 67 59.012 42.570-146.132 1.00 0.37 H new ATOM 0 HA LEU A 67 60.359 41.225-148.453 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.063 41.728-145.566 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.702 40.296-146.347 1.00 1.69 H new ATOM 0 HG LEU A 67 63.243 42.244-146.605 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.509 42.097-149.065 1.00 2.52 H new ATOM 0 HD12 LEU A 67 63.170 40.497-148.363 1.00 2.52 H new ATOM 0 HD13 LEU A 67 61.880 41.393-149.200 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.534 44.151-148.026 1.00 2.68 H new ATOM 0 HD22 LEU A 67 60.906 43.446-148.160 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.503 44.014-146.583 1.00 2.68 H new ATOM 880 N ASP A 68 58.583 39.879-146.020 1.00 0.69 N ATOM 881 CA ASP A 68 57.760 38.682-145.691 1.00 0.59 C ATOM 882 C ASP A 68 56.304 39.108-145.875 1.00 0.59 C ATOM 883 O ASP A 68 55.830 39.967-145.157 1.00 0.59 O ATOM 884 CB ASP A 68 58.014 38.266-144.232 1.00 0.53 C ATOM 885 CG ASP A 68 57.690 36.782-144.060 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.339 36.154-145.045 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.799 36.297-142.945 1.00 0.97 O ATOM 0 H ASP A 68 58.532 40.634-145.337 1.00 0.69 H new ATOM 0 HA ASP A 68 58.006 37.832-146.327 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.054 38.455-143.965 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.398 38.864-143.560 1.00 0.53 H new ATOM 892 N GLU A 69 55.566 38.556-146.805 1.00 0.63 N ATOM 893 CA GLU A 69 54.152 38.997-146.961 1.00 0.69 C ATOM 894 C GLU A 69 53.234 38.145-146.088 1.00 0.71 C ATOM 895 O GLU A 69 52.043 38.376-146.021 1.00 0.77 O ATOM 896 CB GLU A 69 53.736 38.855-148.425 1.00 0.73 C ATOM 897 CG GLU A 69 54.186 37.493-148.956 1.00 0.75 C ATOM 898 CD GLU A 69 53.668 37.303-150.383 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.530 36.890-150.528 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.420 37.575-151.304 1.00 1.82 O ATOM 0 H GLU A 69 55.877 37.831-147.452 1.00 0.63 H new ATOM 0 HA GLU A 69 54.068 40.039-146.652 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.654 38.953-148.517 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.181 39.653-149.019 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.274 37.427-148.941 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.809 36.698-148.313 1.00 0.75 H new ATOM 907 N ASP A 70 53.764 37.159-145.417 1.00 0.72 N ATOM 908 CA ASP A 70 52.902 36.302-144.558 1.00 0.78 C ATOM 909 C ASP A 70 53.410 36.389-143.122 1.00 0.69 C ATOM 910 O ASP A 70 52.833 35.833-142.209 1.00 0.84 O ATOM 911 CB ASP A 70 52.973 34.852-145.041 1.00 0.83 C ATOM 912 CG ASP A 70 52.507 34.777-146.496 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.185 35.815-147.049 1.00 1.34 O ATOM 914 OD2 ASP A 70 52.481 33.681-147.033 1.00 1.43 O ATOM 0 H ASP A 70 54.753 36.911-145.427 1.00 0.72 H new ATOM 0 HA ASP A 70 51.868 36.642-144.610 1.00 0.78 H new ATOM 0 HB2 ASP A 70 53.993 34.478-144.955 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.347 34.217-144.414 1.00 0.83 H new ATOM 919 N GLY A 71 54.478 37.106-142.918 1.00 0.50 N ATOM 920 CA GLY A 71 55.025 37.262-141.547 1.00 0.43 C ATOM 921 C GLY A 71 55.667 35.962-141.057 1.00 0.34 C ATOM 922 O GLY A 71 55.781 35.746-139.868 1.00 0.31 O ATOM 0 H GLY A 71 54.998 37.593-143.648 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.765 38.063-141.536 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.227 37.556-140.865 1.00 0.43 H new ATOM 926 N GLU A 72 56.107 35.090-141.931 1.00 0.36 N ATOM 927 CA GLU A 72 56.742 33.844-141.415 1.00 0.34 C ATOM 928 C GLU A 72 57.977 34.264-140.621 1.00 0.30 C ATOM 929 O GLU A 72 58.152 33.896-139.478 1.00 0.30 O ATOM 930 CB GLU A 72 57.157 32.949-142.585 1.00 0.40 C ATOM 931 CG GLU A 72 56.212 31.749-142.671 1.00 1.23 C ATOM 932 CD GLU A 72 56.699 30.647-141.727 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.762 30.812-141.153 1.00 2.68 O ATOM 934 OE2 GLU A 72 55.999 29.656-141.595 1.00 2.64 O ATOM 0 H GLU A 72 56.056 35.183-142.946 1.00 0.36 H new ATOM 0 HA GLU A 72 56.048 33.285-140.788 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.129 33.514-143.517 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.183 32.608-142.449 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.199 32.050-142.404 1.00 1.23 H new ATOM 0 HG3 GLU A 72 56.174 31.375-143.694 1.00 1.23 H new ATOM 941 N LYS A 73 58.829 35.046-141.220 1.00 0.31 N ATOM 942 CA LYS A 73 60.040 35.502-140.488 1.00 0.33 C ATOM 943 C LYS A 73 59.579 35.962-139.106 1.00 0.29 C ATOM 944 O LYS A 73 60.284 35.849-138.115 1.00 0.29 O ATOM 945 CB LYS A 73 60.688 36.665-141.245 1.00 0.38 C ATOM 946 CG LYS A 73 60.983 36.238-142.684 1.00 0.55 C ATOM 947 CD LYS A 73 61.704 37.370-143.418 1.00 1.07 C ATOM 948 CE LYS A 73 63.213 37.241-143.200 1.00 1.38 C ATOM 949 NZ LYS A 73 63.703 35.988-143.843 1.00 2.36 N ATOM 0 H LYS A 73 58.740 35.387-142.177 1.00 0.31 H new ATOM 0 HA LYS A 73 60.775 34.702-140.401 1.00 0.33 H new ATOM 0 HB2 LYS A 73 60.025 37.530-141.240 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.610 36.967-140.748 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.599 35.338-142.688 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.054 35.991-143.198 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.475 37.331-144.483 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.354 38.335-143.052 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.727 38.104-143.622 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.437 37.227-142.133 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.664 36.140-144.212 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.719 35.221-143.141 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.069 35.728-144.625 1.00 2.36 H new ATOM 963 N GLU A 74 58.351 36.395-139.032 1.00 0.28 N ATOM 964 CA GLU A 74 57.769 36.788-137.725 1.00 0.28 C ATOM 965 C GLU A 74 57.415 35.485-137.025 1.00 0.26 C ATOM 966 O GLU A 74 57.532 35.336-135.840 1.00 0.27 O ATOM 967 CB GLU A 74 56.501 37.608-137.952 1.00 0.31 C ATOM 968 CG GLU A 74 56.265 38.508-136.745 1.00 0.37 C ATOM 969 CD GLU A 74 54.776 38.521-136.394 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.131 37.506-136.595 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.306 39.546-135.929 1.00 1.11 O ATOM 0 H GLU A 74 57.723 36.493-139.830 1.00 0.28 H new ATOM 0 HA GLU A 74 58.461 37.391-137.138 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.599 38.209-138.856 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.647 36.947-138.100 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.846 38.151-135.894 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.606 39.520-136.962 1.00 0.37 H new ATOM 978 N ALA A 75 56.993 34.542-137.807 1.00 0.25 N ATOM 979 CA ALA A 75 56.645 33.214-137.244 1.00 0.27 C ATOM 980 C ALA A 75 57.902 32.691-136.573 1.00 0.26 C ATOM 981 O ALA A 75 57.952 32.546-135.372 1.00 0.27 O ATOM 982 CB ALA A 75 56.188 32.260-138.349 1.00 0.30 C ATOM 0 H ALA A 75 56.873 34.632-138.816 1.00 0.25 H new ATOM 0 HA ALA A 75 55.822 33.293-136.533 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.938 31.292-137.914 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.310 32.672-138.846 1.00 0.30 H new ATOM 0 HB3 ALA A 75 56.990 32.134-139.076 1.00 0.30 H new ATOM 988 N ARG A 76 58.921 32.406-137.324 1.00 0.28 N ATOM 989 CA ARG A 76 60.161 31.896-136.688 1.00 0.31 C ATOM 990 C ARG A 76 60.467 32.763-135.469 1.00 0.28 C ATOM 991 O ARG A 76 60.708 32.267-134.386 1.00 0.30 O ATOM 992 CB ARG A 76 61.323 31.969-137.681 1.00 0.35 C ATOM 993 CG ARG A 76 61.160 30.874-138.737 1.00 0.66 C ATOM 994 CD ARG A 76 61.998 29.657-138.342 1.00 1.00 C ATOM 995 NE ARG A 76 62.064 28.707-139.488 1.00 1.51 N ATOM 996 CZ ARG A 76 62.956 27.753-139.494 1.00 2.03 C ATOM 997 NH1 ARG A 76 63.787 27.631-138.496 1.00 2.34 N ATOM 998 NH2 ARG A 76 63.014 26.921-140.498 1.00 3.14 N ATOM 0 H ARG A 76 58.951 32.502-138.339 1.00 0.28 H new ATOM 0 HA ARG A 76 60.027 30.857-136.386 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.347 32.949-138.158 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.271 31.846-137.158 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.111 30.593-138.826 1.00 0.66 H new ATOM 0 HG3 ARG A 76 61.475 31.245-139.713 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.002 29.970-138.057 1.00 1.00 H new ATOM 0 HD3 ARG A 76 61.559 29.166-137.473 1.00 1.00 H new ATOM 0 HE ARG A 76 61.413 28.802-140.267 1.00 1.51 H new ATOM 0 HH11 ARG A 76 63.740 28.281-137.711 1.00 2.34 H new ATOM 0 HH12 ARG A 76 64.484 26.886-138.501 1.00 2.34 H new ATOM 0 HH21 ARG A 76 62.363 27.016-141.277 1.00 3.14 H new ATOM 0 HH22 ARG A 76 63.710 26.176-140.503 1.00 3.14 H new ATOM 1012 N LEU A 77 60.458 34.055-135.635 1.00 0.30 N ATOM 1013 CA LEU A 77 60.748 34.947-134.476 1.00 0.31 C ATOM 1014 C LEU A 77 59.799 34.605-133.323 1.00 0.29 C ATOM 1015 O LEU A 77 60.219 34.236-132.243 1.00 0.30 O ATOM 1016 CB LEU A 77 60.551 36.403-134.893 1.00 0.35 C ATOM 1017 CG LEU A 77 61.825 36.905-135.574 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.494 38.115-136.448 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.849 37.307-134.510 1.00 0.38 C ATOM 0 H LEU A 77 60.264 34.531-136.516 1.00 0.30 H new ATOM 0 HA LEU A 77 61.778 34.803-134.151 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.703 36.488-135.572 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.324 37.016-134.021 1.00 0.35 H new ATOM 0 HG LEU A 77 62.241 36.112-136.196 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.402 38.473-136.933 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.766 37.828-137.207 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.077 38.909-135.828 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.757 37.665-134.996 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.434 38.099-133.887 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.086 36.443-133.889 1.00 0.38 H new ATOM 1031 N ILE A 78 58.525 34.719-133.553 1.00 0.29 N ATOM 1032 CA ILE A 78 57.523 34.400-132.496 1.00 0.32 C ATOM 1033 C ILE A 78 57.838 33.038-131.898 1.00 0.30 C ATOM 1034 O ILE A 78 57.834 32.858-130.703 1.00 0.32 O ATOM 1035 CB ILE A 78 56.134 34.367-133.115 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.765 35.777-133.557 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.121 33.871-132.081 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.832 35.700-134.758 1.00 0.37 C ATOM 0 H ILE A 78 58.126 35.024-134.441 1.00 0.29 H new ATOM 0 HA ILE A 78 57.560 35.160-131.715 1.00 0.32 H new ATOM 0 HB ILE A 78 56.124 33.693-133.972 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.281 36.312-132.740 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.664 36.336-133.816 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.127 33.848-132.527 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.395 32.868-131.755 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.118 34.543-131.223 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.566 36.708-135.077 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.333 35.181-135.575 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.928 35.156-134.483 1.00 0.37 H new ATOM 1050 N ARG A 79 58.130 32.083-132.727 1.00 0.29 N ATOM 1051 CA ARG A 79 58.475 30.729-132.199 1.00 0.32 C ATOM 1052 C ARG A 79 59.760 30.848-131.371 1.00 0.26 C ATOM 1053 O ARG A 79 59.968 30.119-130.423 1.00 0.26 O ATOM 1054 CB ARG A 79 58.693 29.759-133.363 1.00 0.38 C ATOM 1055 CG ARG A 79 59.644 28.642-132.930 1.00 0.39 C ATOM 1056 CD ARG A 79 59.690 27.565-134.015 1.00 0.39 C ATOM 1057 NE ARG A 79 59.540 26.216-133.393 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.152 25.926-132.274 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.951 26.795-131.718 1.00 2.28 N ATOM 1060 NH2 ARG A 79 59.977 24.757-131.721 1.00 3.27 N ATOM 0 H ARG A 79 58.147 32.174-133.743 1.00 0.29 H new ATOM 0 HA ARG A 79 57.664 30.350-131.578 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.740 29.336-133.680 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.107 30.291-134.220 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.642 29.045-132.760 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.309 28.210-131.987 1.00 0.39 H new ATOM 0 HD2 ARG A 79 58.894 27.732-134.740 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.633 27.623-134.558 1.00 0.39 H new ATOM 0 HE ARG A 79 58.955 25.514-133.845 1.00 1.50 H new ATOM 0 HH11 ARG A 79 61.100 27.704-132.156 1.00 2.28 H new ATOM 0 HH12 ARG A 79 61.426 26.565-130.845 1.00 2.28 H new ATOM 0 HH21 ARG A 79 59.364 24.071-132.161 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.453 24.529-130.848 1.00 3.27 H new ATOM 1074 N ASN A 80 60.613 31.781-131.712 1.00 0.23 N ATOM 1075 CA ASN A 80 61.872 31.966-130.931 1.00 0.21 C ATOM 1076 C ASN A 80 61.537 32.733-129.654 1.00 0.21 C ATOM 1077 O ASN A 80 62.207 32.611-128.647 1.00 0.22 O ATOM 1078 CB ASN A 80 62.886 32.755-131.761 1.00 0.23 C ATOM 1079 CG ASN A 80 63.148 32.022-133.078 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.627 30.948-133.303 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.940 32.561-133.964 1.00 1.15 N ATOM 0 H ASN A 80 60.491 32.421-132.497 1.00 0.23 H new ATOM 0 HA ASN A 80 62.305 30.997-130.683 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.508 33.758-131.960 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.816 32.870-131.205 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.121 32.080-134.845 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.378 33.463-133.775 1.00 1.15 H new ATOM 1088 N LEU A 81 60.457 33.462-129.670 1.00 0.23 N ATOM 1089 CA LEU A 81 60.031 34.170-128.438 1.00 0.28 C ATOM 1090 C LEU A 81 59.382 33.103-127.576 1.00 0.30 C ATOM 1091 O LEU A 81 59.754 32.866-126.445 1.00 0.31 O ATOM 1092 CB LEU A 81 59.013 35.262-128.779 1.00 0.35 C ATOM 1093 CG LEU A 81 59.714 36.398-129.525 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.695 37.148-130.387 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.333 37.365-128.514 1.00 1.26 C ATOM 0 H LEU A 81 59.854 33.596-130.482 1.00 0.23 H new ATOM 0 HA LEU A 81 60.867 34.655-127.934 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.213 34.849-129.393 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.552 35.642-127.867 1.00 0.35 H new ATOM 0 HG LEU A 81 60.496 35.986-130.162 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.194 37.958-130.919 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.251 36.460-131.107 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.913 37.561-129.750 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.833 38.175-129.045 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.550 37.777-127.878 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.058 36.833-127.898 1.00 1.26 H new ATOM 1107 N ASN A 82 58.440 32.422-128.152 1.00 0.35 N ATOM 1108 CA ASN A 82 57.759 31.313-127.456 1.00 0.42 C ATOM 1109 C ASN A 82 58.819 30.430-126.808 1.00 0.37 C ATOM 1110 O ASN A 82 58.855 30.269-125.607 1.00 0.38 O ATOM 1111 CB ASN A 82 56.965 30.523-128.503 1.00 0.51 C ATOM 1112 CG ASN A 82 55.571 31.133-128.658 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.825 31.224-127.703 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.185 31.561-129.830 1.00 0.98 N ATOM 0 H ASN A 82 58.108 32.595-129.101 1.00 0.35 H new ATOM 0 HA ASN A 82 57.082 31.677-126.683 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.488 30.539-129.459 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.884 29.479-128.201 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.258 31.971-129.943 1.00 0.98 H new ATOM 0 HD22 ASN A 82 55.811 31.485-130.632 1.00 0.98 H new ATOM 1121 N VAL A 83 59.698 29.875-127.591 1.00 0.35 N ATOM 1122 CA VAL A 83 60.770 29.025-127.010 1.00 0.36 C ATOM 1123 C VAL A 83 61.460 29.811-125.894 1.00 0.32 C ATOM 1124 O VAL A 83 61.576 29.354-124.778 1.00 0.35 O ATOM 1125 CB VAL A 83 61.790 28.675-128.095 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.831 27.709-127.528 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.072 28.017-129.275 1.00 0.44 C ATOM 0 H VAL A 83 59.721 29.973-128.606 1.00 0.35 H new ATOM 0 HA VAL A 83 60.344 28.104-126.612 1.00 0.36 H new ATOM 0 HB VAL A 83 62.287 29.585-128.432 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.557 27.461-128.302 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.343 28.178-126.688 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.336 26.799-127.189 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.798 27.767-130.049 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.574 27.108-128.937 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.332 28.707-129.681 1.00 0.44 H new ATOM 1137 N ILE A 84 61.915 30.995-126.195 1.00 0.27 N ATOM 1138 CA ILE A 84 62.590 31.807-125.145 1.00 0.30 C ATOM 1139 C ILE A 84 61.766 31.727-123.861 1.00 0.31 C ATOM 1140 O ILE A 84 62.268 31.399-122.799 1.00 0.37 O ATOM 1141 CB ILE A 84 62.689 33.258-125.589 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.856 33.402-126.559 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.930 34.149-124.368 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.637 34.638-127.419 1.00 0.37 C ATOM 0 H ILE A 84 61.850 31.433-127.114 1.00 0.27 H new ATOM 0 HA ILE A 84 63.595 31.421-124.975 1.00 0.30 H new ATOM 0 HB ILE A 84 61.762 33.558-126.079 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.794 33.487-126.010 1.00 0.37 H new ATOM 0 HG13 ILE A 84 63.934 32.515-127.188 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.001 35.189-124.685 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.102 34.039-123.668 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.859 33.854-123.880 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.468 34.748-128.116 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.707 34.533-127.977 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.579 35.520-126.781 1.00 0.37 H new ATOM 1156 N LEU A 85 60.498 32.024-123.950 1.00 0.35 N ATOM 1157 CA LEU A 85 59.633 31.970-122.740 1.00 0.42 C ATOM 1158 C LEU A 85 59.594 30.540-122.208 1.00 0.42 C ATOM 1159 O LEU A 85 59.956 30.278-121.083 1.00 0.47 O ATOM 1160 CB LEU A 85 58.218 32.418-123.103 1.00 0.54 C ATOM 1161 CG LEU A 85 58.113 33.937-122.974 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.209 34.331-121.499 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.256 34.597-123.749 1.00 0.61 C ATOM 0 H LEU A 85 60.025 32.302-124.810 1.00 0.35 H new ATOM 0 HA LEU A 85 60.037 32.632-121.974 1.00 0.42 H new ATOM 0 HB2 LEU A 85 57.979 32.112-124.121 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.493 31.936-122.447 1.00 0.54 H new ATOM 0 HG LEU A 85 57.158 34.269-123.380 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.134 35.414-121.406 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.397 33.862-120.944 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.165 33.997-121.095 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.180 35.680-123.656 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.211 34.264-123.343 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.192 34.317-124.801 1.00 0.61 H new ATOM 1175 N ALA A 86 59.162 29.614-123.012 1.00 0.47 N ATOM 1176 CA ALA A 86 59.103 28.197-122.561 1.00 0.58 C ATOM 1177 C ALA A 86 60.462 27.790-121.984 1.00 0.59 C ATOM 1178 O ALA A 86 60.586 26.798-121.293 1.00 0.73 O ATOM 1179 CB ALA A 86 58.776 27.309-123.763 1.00 0.64 C ATOM 0 H ALA A 86 58.845 29.777-123.968 1.00 0.47 H new ATOM 0 HA ALA A 86 58.336 28.083-121.795 1.00 0.58 H new ATOM 0 HB1 ALA A 86 58.730 26.268-123.444 1.00 0.64 H new ATOM 0 HB2 ALA A 86 57.813 27.603-124.181 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.551 27.423-124.521 1.00 0.64 H new ATOM 1185 N LYS A 87 61.484 28.542-122.285 1.00 0.50 N ATOM 1186 CA LYS A 87 62.848 28.208-121.784 1.00 0.60 C ATOM 1187 C LYS A 87 63.041 28.769-120.382 1.00 0.58 C ATOM 1188 O LYS A 87 63.521 28.097-119.490 1.00 0.71 O ATOM 1189 CB LYS A 87 63.877 28.839-122.714 1.00 0.61 C ATOM 1190 CG LYS A 87 65.193 28.063-122.631 1.00 0.82 C ATOM 1191 CD LYS A 87 66.334 28.932-123.163 1.00 0.99 C ATOM 1192 CE LYS A 87 67.676 28.318-122.762 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.510 26.851-122.557 1.00 2.02 N ATOM 0 H LYS A 87 61.433 29.382-122.862 1.00 0.50 H new ATOM 0 HA LYS A 87 62.969 27.125-121.757 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.506 28.835-123.739 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.040 29.881-122.438 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.393 27.775-121.599 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.122 27.143-123.211 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.269 29.011-124.248 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.251 29.943-122.764 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.420 28.506-123.536 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.043 28.785-121.848 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.443 26.391-122.570 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.052 26.678-121.639 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 66.920 26.459-123.318 1.00 2.02 H new ATOM 1207 N TYR A 88 62.652 29.991-120.175 1.00 0.45 N ATOM 1208 CA TYR A 88 62.798 30.589-118.821 1.00 0.47 C ATOM 1209 C TYR A 88 61.667 30.058-117.949 1.00 0.54 C ATOM 1210 O TYR A 88 61.741 30.039-116.736 1.00 0.58 O ATOM 1211 CB TYR A 88 62.710 32.113-118.926 1.00 0.44 C ATOM 1212 CG TYR A 88 64.080 32.664-119.236 1.00 0.45 C ATOM 1213 CD1 TYR A 88 64.541 32.682-120.558 1.00 0.53 C ATOM 1214 CD2 TYR A 88 64.893 33.146-118.204 1.00 0.58 C ATOM 1215 CE1 TYR A 88 65.816 33.183-120.848 1.00 0.62 C ATOM 1216 CE2 TYR A 88 66.167 33.648-118.495 1.00 0.64 C ATOM 1217 CZ TYR A 88 66.628 33.667-119.817 1.00 0.61 C ATOM 1218 OH TYR A 88 67.885 34.160-120.104 1.00 0.73 O ATOM 0 H TYR A 88 62.240 30.602-120.881 1.00 0.45 H new ATOM 0 HA TYR A 88 63.762 30.326-118.385 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.005 32.396-119.707 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.337 32.534-117.992 1.00 0.44 H new ATOM 0 HD1 TYR A 88 63.913 32.309-121.354 1.00 0.53 H new ATOM 0 HD2 TYR A 88 64.538 33.131-117.184 1.00 0.58 H new ATOM 0 HE1 TYR A 88 66.172 33.196-121.867 1.00 0.62 H new ATOM 0 HE2 TYR A 88 66.795 34.021-117.699 1.00 0.64 H new ATOM 0 HH TYR A 88 67.930 34.411-121.050 1.00 0.73 H new ATOM 1228 N GLY A 89 60.608 29.652-118.581 1.00 0.59 N ATOM 1229 CA GLY A 89 59.431 29.141-117.827 1.00 0.69 C ATOM 1230 C GLY A 89 58.626 30.345-117.345 1.00 0.77 C ATOM 1231 O GLY A 89 58.168 30.402-116.221 1.00 1.09 O ATOM 0 H GLY A 89 60.504 29.651-119.596 1.00 0.59 H new ATOM 0 HA2 GLY A 89 58.818 28.502-118.463 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.754 28.534-116.981 1.00 0.69 H new ATOM 1235 N LEU A 90 58.461 31.310-118.203 1.00 0.65 N ATOM 1236 CA LEU A 90 57.699 32.529-117.841 1.00 0.75 C ATOM 1237 C LEU A 90 56.743 32.852-118.999 1.00 0.80 C ATOM 1238 O LEU A 90 56.585 33.980-119.413 1.00 1.31 O ATOM 1239 CB LEU A 90 58.709 33.663-117.585 1.00 0.82 C ATOM 1240 CG LEU A 90 58.186 35.006-118.092 1.00 1.03 C ATOM 1241 CD1 LEU A 90 56.812 35.297-117.483 1.00 1.50 C ATOM 1242 CD2 LEU A 90 59.166 36.105-117.679 1.00 1.68 C ATOM 0 H LEU A 90 58.829 31.303-119.154 1.00 0.65 H new ATOM 0 HA LEU A 90 57.104 32.394-116.937 1.00 0.75 H new ATOM 0 HB2 LEU A 90 58.916 33.732-116.517 1.00 0.82 H new ATOM 0 HB3 LEU A 90 59.652 33.429-118.079 1.00 0.82 H new ATOM 0 HG LEU A 90 58.093 34.974-119.178 1.00 1.03 H new ATOM 0 HD11 LEU A 90 56.447 36.256-117.850 1.00 1.50 H new ATOM 0 HD12 LEU A 90 56.114 34.510-117.768 1.00 1.50 H new ATOM 0 HD13 LEU A 90 56.896 35.332-116.397 1.00 1.50 H new ATOM 0 HD21 LEU A 90 58.803 37.069-118.036 1.00 1.68 H new ATOM 0 HD22 LEU A 90 59.250 36.128-116.592 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.145 35.902-118.114 1.00 1.68 H new