USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=13 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 :FLIP amide:sc= -11.4! C(o=-19!,f=-18!) USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -6.59! C(o=-18!,f=-18!) USER MOD Set 2.1: A 46 HIS :FLIP no HE2:sc= -0.368 F(o=-10!,f=0.71) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -134:sc= 1.07 (180deg=0) USER MOD Single : A 22 MET CE :methyl -114:sc=-0.00608 (180deg=-0.118) USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= 0.585 (180deg=0.194) USER MOD Single : A 26 ASN : amide:sc= -3.87! C(o=-3.9!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -0.452 (180deg=-1.49!) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.825 F(o=-2.1,f=-0.82) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.542 F(o=-1.9,f=-0.54) USER MOD Single : A 60 LYS NZ :NH3+ -155:sc= -2.4 (180deg=-4.22!) USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= -0.318 (180deg=-1.66!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.334 F(o=-1.1,f=-0.33) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 11:sc= -5.72! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.547 50.319-124.082 1.00 0.57 N ATOM 24 CA GLU A 19 64.485 49.172-124.267 1.00 0.55 C ATOM 25 C GLU A 19 64.425 48.712-125.726 1.00 0.56 C ATOM 26 O GLU A 19 65.371 48.855-126.475 1.00 0.63 O ATOM 27 CB GLU A 19 64.097 48.020-123.329 1.00 0.45 C ATOM 28 CG GLU A 19 62.681 47.529-123.646 1.00 0.38 C ATOM 29 CD GLU A 19 61.764 48.721-123.925 1.00 1.26 C ATOM 30 OE1 GLU A 19 61.596 49.536-123.032 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.246 48.800-125.027 1.00 2.06 O ATOM 0 HA GLU A 19 65.501 49.484-124.026 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.806 47.199-123.437 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.150 48.353-122.292 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.702 46.866-124.511 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.292 46.949-122.809 1.00 0.38 H new ATOM 38 N PHE A 20 63.308 48.187-126.139 1.00 0.51 N ATOM 39 CA PHE A 20 63.158 47.743-127.555 1.00 0.54 C ATOM 40 C PHE A 20 62.106 48.626-128.216 1.00 0.55 C ATOM 41 O PHE A 20 61.713 49.637-127.671 1.00 0.57 O ATOM 42 CB PHE A 20 62.685 46.291-127.598 1.00 0.52 C ATOM 43 CG PHE A 20 63.587 45.441-126.745 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.939 45.300-127.075 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.068 44.798-125.621 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.773 44.510-126.276 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.900 44.007-124.820 1.00 0.51 C ATOM 48 CZ PHE A 20 65.253 43.863-125.147 1.00 0.56 C ATOM 0 H PHE A 20 62.485 48.044-125.554 1.00 0.51 H new ATOM 0 HA PHE A 20 64.114 47.821-128.073 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.658 46.222-127.240 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.690 45.927-128.625 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.338 45.800-127.945 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.024 44.911-125.369 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.817 44.399-126.529 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.498 43.508-123.950 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.896 43.253-124.530 1.00 0.56 H new ATOM 58 N ARG A 21 61.627 48.262-129.372 1.00 0.57 N ATOM 59 CA ARG A 21 60.589 49.095-130.032 1.00 0.60 C ATOM 60 C ARG A 21 59.399 48.199-130.363 1.00 0.57 C ATOM 61 O ARG A 21 58.446 48.609-130.994 1.00 0.59 O ATOM 62 CB ARG A 21 61.151 49.680-131.323 1.00 0.69 C ATOM 63 CG ARG A 21 62.500 50.346-131.042 1.00 0.74 C ATOM 64 CD ARG A 21 62.809 51.359-132.146 1.00 0.82 C ATOM 65 NE ARG A 21 64.248 51.739-132.083 1.00 1.35 N ATOM 66 CZ ARG A 21 64.806 52.352-133.092 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.103 52.632-134.155 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.066 52.685-133.036 1.00 2.72 N ATOM 0 H ARG A 21 61.909 47.427-129.885 1.00 0.57 H new ATOM 0 HA ARG A 21 60.283 49.908-129.373 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.271 48.894-132.068 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.454 50.408-131.737 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.477 50.844-130.073 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.286 49.593-130.994 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.577 50.932-133.122 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.183 52.243-132.028 1.00 0.82 H new ATOM 0 HE ARG A 21 64.797 51.520-131.252 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.118 52.372-134.198 1.00 2.06 H new ATOM 0 HH12 ARG A 21 64.539 53.111-134.943 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.615 52.467-132.204 1.00 2.72 H new ATOM 0 HH22 ARG A 21 66.502 53.164-133.824 1.00 2.72 H new ATOM 82 N MET A 22 59.455 46.971-129.928 1.00 0.54 N ATOM 83 CA MET A 22 58.341 46.022-130.193 1.00 0.55 C ATOM 84 C MET A 22 57.536 45.834-128.908 1.00 0.49 C ATOM 85 O MET A 22 58.074 45.511-127.864 1.00 0.63 O ATOM 86 CB MET A 22 58.910 44.675-130.641 1.00 0.61 C ATOM 87 CG MET A 22 59.193 44.715-132.144 1.00 0.71 C ATOM 88 SD MET A 22 57.646 44.986-133.043 1.00 1.14 S ATOM 89 CE MET A 22 57.075 43.269-133.033 1.00 1.25 C ATOM 0 H MET A 22 60.233 46.582-129.395 1.00 0.54 H new ATOM 0 HA MET A 22 57.698 46.418-130.979 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.826 44.455-130.093 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.204 43.876-130.414 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.902 45.512-132.370 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.652 43.780-132.463 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.062 42.884-134.053 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.749 42.665-132.426 1.00 1.25 H new ATOM 0 HE3 MET A 22 56.070 43.222-132.615 1.00 1.25 H new ATOM 99 N GLU A 23 56.253 46.044-128.969 1.00 0.47 N ATOM 100 CA GLU A 23 55.418 45.890-127.748 1.00 0.46 C ATOM 101 C GLU A 23 55.570 44.480-127.181 1.00 0.50 C ATOM 102 O GLU A 23 55.649 44.297-125.982 1.00 0.50 O ATOM 103 CB GLU A 23 53.951 46.149-128.095 1.00 0.50 C ATOM 104 CG GLU A 23 53.700 47.656-128.164 1.00 1.45 C ATOM 105 CD GLU A 23 52.200 47.921-128.300 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.449 46.959-128.333 1.00 2.48 O ATOM 107 OE2 GLU A 23 51.827 49.080-128.371 1.00 2.68 O ATOM 0 H GLU A 23 55.746 46.316-129.811 1.00 0.47 H new ATOM 0 HA GLU A 23 55.748 46.610-126.999 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.705 45.685-129.050 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.303 45.696-127.344 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.085 48.140-127.267 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.234 48.085-129.012 1.00 1.45 H new ATOM 114 N LYS A 24 55.609 43.476-128.014 1.00 0.54 N ATOM 115 CA LYS A 24 55.752 42.093-127.485 1.00 0.59 C ATOM 116 C LYS A 24 56.990 42.013-126.595 1.00 0.53 C ATOM 117 O LYS A 24 56.923 41.571-125.462 1.00 0.55 O ATOM 118 CB LYS A 24 55.880 41.104-128.648 1.00 0.67 C ATOM 119 CG LYS A 24 57.338 41.018-129.100 1.00 0.64 C ATOM 120 CD LYS A 24 57.429 40.182-130.379 1.00 0.77 C ATOM 121 CE LYS A 24 56.547 38.940-130.242 1.00 1.46 C ATOM 122 NZ LYS A 24 56.884 37.971-131.323 1.00 2.09 N ATOM 0 H LYS A 24 55.549 43.553-129.029 1.00 0.54 H new ATOM 0 HA LYS A 24 54.870 41.837-126.898 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.527 40.120-128.340 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.251 41.423-129.479 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.734 42.018-129.278 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.947 40.569-128.315 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.110 40.774-131.237 1.00 0.77 H new ATOM 0 HD3 LYS A 24 58.463 39.888-130.561 1.00 0.77 H new ATOM 0 HE2 LYS A 24 56.698 38.479-129.266 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.495 39.219-130.304 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.680 37.004-130.999 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.314 38.180-132.167 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 57.894 38.051-131.559 1.00 2.09 H new ATOM 136 N LEU A 25 58.121 42.434-127.087 1.00 0.47 N ATOM 137 CA LEU A 25 59.360 42.378-126.267 1.00 0.42 C ATOM 138 C LEU A 25 59.176 43.202-124.998 1.00 0.39 C ATOM 139 O LEU A 25 59.381 42.726-123.911 1.00 0.55 O ATOM 140 CB LEU A 25 60.517 42.972-127.071 1.00 0.43 C ATOM 141 CG LEU A 25 61.166 41.894-127.936 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.248 42.386-129.384 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.576 41.622-127.410 1.00 1.03 C ATOM 0 H LEU A 25 58.240 42.816-128.025 1.00 0.47 H new ATOM 0 HA LEU A 25 59.572 41.341-126.005 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.153 43.784-127.701 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.257 43.401-126.395 1.00 0.43 H new ATOM 0 HG LEU A 25 60.574 40.980-127.898 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.711 41.618-130.004 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.244 42.595-129.755 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.847 43.296-129.426 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.050 40.853-128.020 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.165 42.538-127.458 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.519 41.281-126.376 1.00 1.03 H new ATOM 155 N ASN A 26 58.808 44.441-125.140 1.00 0.39 N ATOM 156 CA ASN A 26 58.632 45.289-123.926 1.00 0.37 C ATOM 157 C ASN A 26 57.784 44.513-122.918 1.00 0.40 C ATOM 158 O ASN A 26 58.186 44.262-121.799 1.00 0.40 O ATOM 159 CB ASN A 26 57.927 46.597-124.282 1.00 0.41 C ATOM 160 CG ASN A 26 58.550 47.186-125.549 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.241 46.500-126.276 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.336 48.438-125.845 1.00 0.45 N ATOM 0 H ASN A 26 58.623 44.902-126.031 1.00 0.39 H new ATOM 0 HA ASN A 26 59.608 45.528-123.504 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.863 46.418-124.437 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.015 47.305-123.458 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.749 48.841-126.686 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.756 49.014-125.235 1.00 0.45 H new ATOM 169 N GLN A 27 56.607 44.150-123.322 1.00 0.44 N ATOM 170 CA GLN A 27 55.693 43.403-122.413 1.00 0.50 C ATOM 171 C GLN A 27 56.467 42.281-121.722 1.00 0.47 C ATOM 172 O GLN A 27 56.431 42.150-120.513 1.00 0.48 O ATOM 173 CB GLN A 27 54.536 42.810-123.218 1.00 0.59 C ATOM 174 CG GLN A 27 53.495 43.896-123.493 1.00 0.58 C ATOM 175 CD GLN A 27 52.287 43.279-124.201 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.414 42.284-124.887 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.113 43.830-124.063 1.00 2.02 N ATOM 0 H GLN A 27 56.231 44.338-124.251 1.00 0.44 H new ATOM 0 HA GLN A 27 55.294 44.084-121.662 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.906 42.400-124.158 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.081 41.986-122.668 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.183 44.361-122.558 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.929 44.682-124.110 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.006 44.665-123.487 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.302 43.426-124.531 1.00 2.02 H new ATOM 186 N LEU A 28 57.170 41.469-122.463 1.00 0.47 N ATOM 187 CA LEU A 28 57.940 40.360-121.818 1.00 0.47 C ATOM 188 C LEU A 28 59.106 40.951-121.022 1.00 0.39 C ATOM 189 O LEU A 28 59.555 40.396-120.039 1.00 0.50 O ATOM 190 CB LEU A 28 58.486 39.423-122.898 1.00 0.50 C ATOM 191 CG LEU A 28 57.324 38.837-123.702 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.839 38.333-125.051 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.706 37.672-122.925 1.00 1.21 C ATOM 0 H LEU A 28 57.247 41.522-123.479 1.00 0.47 H new ATOM 0 HA LEU A 28 57.285 39.801-121.149 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.161 39.967-123.559 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.065 38.622-122.440 1.00 0.50 H new ATOM 0 HG LEU A 28 56.570 39.607-123.867 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.011 37.915-125.624 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.281 39.161-125.604 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.592 37.562-124.888 1.00 1.41 H new ATOM 0 HD21 LEU A 28 55.878 37.253-123.496 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.461 36.902-122.762 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.339 38.030-121.963 1.00 1.21 H new ATOM 205 N TRP A 29 59.586 42.082-121.446 1.00 0.37 N ATOM 206 CA TRP A 29 60.711 42.731-120.727 1.00 0.30 C ATOM 207 C TRP A 29 60.216 43.092-119.341 1.00 0.36 C ATOM 208 O TRP A 29 60.707 42.599-118.332 1.00 0.39 O ATOM 209 CB TRP A 29 61.149 43.996-121.466 1.00 0.32 C ATOM 210 CG TRP A 29 62.287 44.640-120.745 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.388 45.964-120.521 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.480 44.031-120.157 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.560 46.216-119.836 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.268 45.057-119.585 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.954 42.706-120.063 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.476 44.783-118.942 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.168 42.428-119.417 1.00 0.37 C ATOM 218 CH2 TRP A 29 65.927 43.464-118.857 1.00 0.41 C ATOM 0 H TRP A 29 59.246 42.587-122.264 1.00 0.37 H new ATOM 0 HA TRP A 29 61.566 42.058-120.670 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.447 43.747-122.485 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.313 44.692-121.539 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.668 46.709-120.828 1.00 0.32 H new ATOM 0 HE1 TRP A 29 63.866 47.146-119.550 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.378 41.899-120.492 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.058 45.585-118.513 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.520 41.409-119.351 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.860 43.243-118.360 1.00 0.41 H new ATOM 229 N GLU A 30 59.220 43.927-119.277 1.00 0.45 N ATOM 230 CA GLU A 30 58.651 44.299-117.966 1.00 0.56 C ATOM 231 C GLU A 30 58.299 43.017-117.220 1.00 0.50 C ATOM 232 O GLU A 30 58.496 42.900-116.026 1.00 0.52 O ATOM 233 CB GLU A 30 57.382 45.126-118.200 1.00 0.68 C ATOM 234 CG GLU A 30 57.753 46.603-118.345 1.00 0.86 C ATOM 235 CD GLU A 30 56.484 47.431-118.548 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.412 46.847-118.548 1.00 2.06 O ATOM 237 OE2 GLU A 30 56.604 48.635-118.701 1.00 2.33 O ATOM 0 H GLU A 30 58.777 44.367-120.083 1.00 0.45 H new ATOM 0 HA GLU A 30 59.363 44.884-117.384 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.870 44.779-119.098 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.691 44.994-117.368 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.284 46.944-117.456 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.427 46.738-119.191 1.00 0.86 H new ATOM 244 N LYS A 31 57.783 42.047-117.927 1.00 0.46 N ATOM 245 CA LYS A 31 57.420 40.761-117.281 1.00 0.45 C ATOM 246 C LYS A 31 58.654 40.178-116.596 1.00 0.43 C ATOM 247 O LYS A 31 58.633 39.873-115.419 1.00 0.46 O ATOM 248 CB LYS A 31 56.910 39.785-118.342 1.00 0.44 C ATOM 249 CG LYS A 31 55.725 38.994-117.786 1.00 0.91 C ATOM 250 CD LYS A 31 55.149 38.096-118.885 1.00 0.99 C ATOM 251 CE LYS A 31 54.466 38.958-119.948 1.00 1.36 C ATOM 252 NZ LYS A 31 53.708 40.058-119.287 1.00 2.08 N ATOM 0 H LYS A 31 57.598 42.095-118.929 1.00 0.46 H new ATOM 0 HA LYS A 31 56.638 40.928-116.541 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.609 40.330-119.237 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.708 39.104-118.637 1.00 0.44 H new ATOM 0 HG2 LYS A 31 56.044 38.389-116.937 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.958 39.677-117.420 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.944 37.504-119.338 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.433 37.394-118.457 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.210 39.373-120.628 1.00 1.36 H new ATOM 0 HE3 LYS A 31 53.792 38.347-120.548 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.968 40.404-119.930 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.269 39.702-118.414 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 54.357 40.837-119.055 1.00 2.08 H new ATOM 266 N ALA A 32 59.740 40.022-117.310 1.00 0.41 N ATOM 267 CA ALA A 32 60.948 39.462-116.653 1.00 0.41 C ATOM 268 C ALA A 32 61.243 40.299-115.417 1.00 0.41 C ATOM 269 O ALA A 32 61.194 39.809-114.303 1.00 0.42 O ATOM 270 CB ALA A 32 62.152 39.512-117.596 1.00 0.42 C ATOM 0 H ALA A 32 59.838 40.254-118.298 1.00 0.41 H new ATOM 0 HA ALA A 32 60.767 38.421-116.386 1.00 0.41 H new ATOM 0 HB1 ALA A 32 63.025 39.097-117.093 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.937 38.929-118.492 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.352 40.546-117.876 1.00 0.42 H new ATOM 276 N GLN A 33 61.541 41.564-115.577 1.00 0.43 N ATOM 277 CA GLN A 33 61.819 42.382-114.371 1.00 0.47 C ATOM 278 C GLN A 33 60.761 42.059-113.324 1.00 0.49 C ATOM 279 O GLN A 33 61.037 41.984-112.142 1.00 0.53 O ATOM 280 CB GLN A 33 61.762 43.868-114.731 1.00 0.51 C ATOM 281 CG GLN A 33 62.898 44.203-115.701 1.00 0.53 C ATOM 282 CD GLN A 33 62.797 45.671-116.118 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.499 45.968-117.353 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 62.992 46.558-115.310 1.00 1.23 N flip ATOM 0 H GLN A 33 61.602 42.052-116.471 1.00 0.43 H new ATOM 0 HA GLN A 33 62.812 42.158-113.981 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.800 44.106-115.185 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.848 44.475-113.830 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.862 44.014-115.228 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.842 43.560-116.579 1.00 0.53 H new ATOM 0 HE21 GLN A 33 63.225 46.326-114.344 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.923 47.534-115.598 1.00 1.23 H new ATOM 293 N ARG A 34 59.547 41.852-113.753 1.00 0.49 N ATOM 294 CA ARG A 34 58.466 41.517-112.791 1.00 0.52 C ATOM 295 C ARG A 34 58.842 40.240-112.057 1.00 0.52 C ATOM 296 O ARG A 34 58.635 40.113-110.866 1.00 0.55 O ATOM 297 CB ARG A 34 57.157 41.305-113.545 1.00 0.56 C ATOM 298 CG ARG A 34 56.059 42.169-112.920 1.00 0.67 C ATOM 299 CD ARG A 34 56.242 43.622-113.357 1.00 1.59 C ATOM 300 NE ARG A 34 55.554 43.839-114.661 1.00 1.96 N ATOM 301 CZ ARG A 34 55.320 45.053-115.081 1.00 2.81 C ATOM 302 NH1 ARG A 34 55.688 46.076-114.359 1.00 3.42 N ATOM 303 NH2 ARG A 34 54.718 45.243-116.223 1.00 3.58 N ATOM 0 H ARG A 34 59.259 41.901-114.730 1.00 0.49 H new ATOM 0 HA ARG A 34 58.339 42.332-112.078 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.285 41.565-114.596 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.871 40.254-113.509 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.078 41.807-113.227 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.100 42.097-111.833 1.00 0.67 H new ATOM 0 HD2 ARG A 34 55.834 44.294-112.602 1.00 1.59 H new ATOM 0 HD3 ARG A 34 57.303 43.854-113.450 1.00 1.59 H new ATOM 0 HE ARG A 34 55.266 43.040-115.225 1.00 1.96 H new ATOM 0 HH11 ARG A 34 56.159 45.927-113.466 1.00 3.42 H new ATOM 0 HH12 ARG A 34 55.505 47.024-114.687 1.00 3.42 H new ATOM 0 HH21 ARG A 34 54.430 44.443-116.787 1.00 3.58 H new ATOM 0 HH22 ARG A 34 54.535 46.191-116.551 1.00 3.58 H new ATOM 317 N LEU A 35 59.435 39.307-112.743 1.00 0.50 N ATOM 318 CA LEU A 35 59.865 38.066-112.056 1.00 0.54 C ATOM 319 C LEU A 35 61.094 38.432-111.239 1.00 0.55 C ATOM 320 O LEU A 35 61.535 37.704-110.371 1.00 0.61 O ATOM 321 CB LEU A 35 60.220 36.992-113.088 1.00 0.57 C ATOM 322 CG LEU A 35 58.959 36.217-113.472 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.489 35.380-112.280 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.855 37.201-113.868 1.00 0.84 C ATOM 0 H LEU A 35 59.638 39.351-113.742 1.00 0.50 H new ATOM 0 HA LEU A 35 59.073 37.668-111.422 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.659 37.453-113.972 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.967 36.312-112.679 1.00 0.57 H new ATOM 0 HG LEU A 35 59.181 35.560-114.313 1.00 0.68 H new ATOM 0 HD11 LEU A 35 57.590 34.828-112.555 1.00 1.20 H new ATOM 0 HD12 LEU A 35 59.273 34.678-111.996 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.268 36.037-111.439 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.956 36.648-114.142 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.635 37.858-113.027 1.00 0.84 H new ATOM 0 HD23 LEU A 35 58.187 37.798-114.718 1.00 0.84 H new ATOM 336 N HIS A 36 61.639 39.581-111.528 1.00 0.53 N ATOM 337 CA HIS A 36 62.846 40.062-110.793 1.00 0.58 C ATOM 338 C HIS A 36 64.019 39.104-111.005 1.00 0.49 C ATOM 339 O HIS A 36 64.505 38.480-110.083 1.00 1.37 O ATOM 340 CB HIS A 36 62.531 40.165-109.299 1.00 0.98 C ATOM 341 CG HIS A 36 61.935 41.515-109.005 1.00 1.43 C ATOM 342 ND1 HIS A 36 60.793 42.131-109.453 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.537 42.415-108.139 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.686 43.394-108.877 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 61.762 43.513-108.094 1.00 2.17 N flip ATOM 0 H HIS A 36 61.297 40.215-112.250 1.00 0.53 H new ATOM 0 HA HIS A 36 63.122 41.044-111.178 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.836 39.377-109.008 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.439 40.021-108.714 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.125 41.725-110.108 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.460 42.262-107.599 1.00 1.60 H new ATOM 0 HE1 HIS A 36 59.902 44.121-109.030 1.00 2.32 H new ATOM 353 N LEU A 37 64.465 38.984-112.220 1.00 0.59 N ATOM 354 CA LEU A 37 65.600 38.059-112.493 1.00 0.43 C ATOM 355 C LEU A 37 66.904 38.827-112.264 1.00 0.44 C ATOM 356 O LEU A 37 67.094 39.899-112.802 1.00 0.42 O ATOM 357 CB LEU A 37 65.569 37.580-113.947 1.00 0.53 C ATOM 358 CG LEU A 37 64.157 37.149-114.337 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.245 38.375-114.390 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.200 36.492-115.717 1.00 0.82 C ATOM 0 H LEU A 37 64.098 39.481-113.032 1.00 0.59 H new ATOM 0 HA LEU A 37 65.526 37.194-111.834 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.907 38.379-114.607 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.259 36.746-114.076 1.00 0.53 H new ATOM 0 HG LEU A 37 63.772 36.443-113.601 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.237 38.067-114.668 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.221 38.853-113.411 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.626 39.080-115.129 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.195 36.181-116.003 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.581 37.205-116.448 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.854 35.621-115.685 1.00 0.82 H new ATOM 372 N PRO A 38 67.797 38.295-111.464 1.00 0.57 N ATOM 373 CA PRO A 38 69.080 38.987-111.185 1.00 0.66 C ATOM 374 C PRO A 38 69.702 39.520-112.466 1.00 0.58 C ATOM 375 O PRO A 38 69.389 39.058-113.536 1.00 0.52 O ATOM 376 CB PRO A 38 69.929 37.865-110.588 1.00 0.81 C ATOM 377 CG PRO A 38 68.993 36.710-110.198 1.00 0.82 C ATOM 378 CD PRO A 38 67.607 36.980-110.799 1.00 0.69 C ATOM 0 HA PRO A 38 68.978 39.854-110.532 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.672 37.525-111.310 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.474 38.224-109.715 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.387 35.763-110.566 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.926 36.627-109.113 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.314 36.205-111.507 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.833 37.021-110.033 1.00 0.69 H new ATOM 386 N PRO A 39 70.573 40.476-112.369 1.00 0.62 N ATOM 387 CA PRO A 39 71.217 41.034-113.580 1.00 0.60 C ATOM 388 C PRO A 39 71.773 39.923-114.470 1.00 0.53 C ATOM 389 O PRO A 39 71.551 39.893-115.653 1.00 0.51 O ATOM 390 CB PRO A 39 72.338 41.891-112.989 1.00 0.74 C ATOM 391 CG PRO A 39 72.157 41.959-111.464 1.00 0.81 C ATOM 392 CD PRO A 39 70.982 41.057-111.068 1.00 0.74 C ATOM 0 HA PRO A 39 70.535 41.594-114.220 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.310 41.463-113.235 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.313 42.893-113.417 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.068 41.636-110.961 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.967 42.986-111.151 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.282 40.288-110.356 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.174 41.623-110.604 1.00 0.74 H new ATOM 400 N VAL A 40 72.529 39.041-113.897 1.00 0.52 N ATOM 401 CA VAL A 40 73.153 37.938-114.677 1.00 0.47 C ATOM 402 C VAL A 40 72.094 37.190-115.483 1.00 0.41 C ATOM 403 O VAL A 40 72.176 37.071-116.699 1.00 0.37 O ATOM 404 CB VAL A 40 73.837 36.971-113.703 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.821 35.958-113.168 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.965 36.229-114.426 1.00 0.50 C ATOM 0 H VAL A 40 72.748 39.034-112.901 1.00 0.52 H new ATOM 0 HA VAL A 40 73.885 38.354-115.370 1.00 0.47 H new ATOM 0 HB VAL A 40 74.248 37.539-112.868 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.317 35.276-112.477 1.00 0.50 H new ATOM 0 HG12 VAL A 40 72.022 36.485-112.647 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.400 35.391-113.999 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.451 35.542-113.733 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.552 35.668-115.264 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.696 36.949-114.795 1.00 0.50 H new ATOM 416 N ARG A 41 71.086 36.700-114.830 1.00 0.42 N ATOM 417 CA ARG A 41 70.023 35.970-115.563 1.00 0.40 C ATOM 418 C ARG A 41 69.197 36.975-116.347 1.00 0.34 C ATOM 419 O ARG A 41 68.546 36.641-117.319 1.00 0.30 O ATOM 420 CB ARG A 41 69.125 35.233-114.566 1.00 0.46 C ATOM 421 CG ARG A 41 69.515 33.754-114.522 1.00 0.87 C ATOM 422 CD ARG A 41 68.456 32.973-113.743 1.00 1.00 C ATOM 423 NE ARG A 41 69.121 32.074-112.752 1.00 1.53 N ATOM 424 CZ ARG A 41 70.200 31.413-113.074 1.00 2.18 C ATOM 425 NH1 ARG A 41 70.676 31.479-114.288 1.00 2.54 N ATOM 426 NH2 ARG A 41 70.796 30.667-112.182 1.00 3.12 N ATOM 0 H ARG A 41 70.951 36.773-113.822 1.00 0.42 H new ATOM 0 HA ARG A 41 70.470 35.244-116.242 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.225 35.676-113.575 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.080 35.336-114.857 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.603 33.359-115.534 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.490 33.637-114.049 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.786 33.663-113.230 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.846 32.386-114.429 1.00 1.00 H new ATOM 0 HE ARG A 41 68.729 31.976-111.816 1.00 1.53 H new ATOM 0 HH11 ARG A 41 70.205 32.049-114.990 1.00 2.54 H new ATOM 0 HH12 ARG A 41 71.519 30.961-114.534 1.00 2.54 H new ATOM 0 HH21 ARG A 41 70.418 30.602-111.237 1.00 3.12 H new ATOM 0 HH22 ARG A 41 71.639 30.150-112.431 1.00 3.12 H new ATOM 440 N LEU A 42 69.231 38.214-115.944 1.00 0.35 N ATOM 441 CA LEU A 42 68.453 39.231-116.688 1.00 0.30 C ATOM 442 C LEU A 42 69.260 39.640-117.906 1.00 0.31 C ATOM 443 O LEU A 42 68.723 40.099-118.885 1.00 0.49 O ATOM 444 CB LEU A 42 68.147 40.446-115.816 1.00 0.32 C ATOM 445 CG LEU A 42 66.897 41.141-116.369 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.643 40.400-115.912 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.833 42.576-115.842 1.00 0.60 C ATOM 0 H LEU A 42 69.758 38.559-115.142 1.00 0.35 H new ATOM 0 HA LEU A 42 67.495 38.808-116.991 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.984 40.139-114.783 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.993 41.133-115.814 1.00 0.32 H new ATOM 0 HG LEU A 42 66.949 41.142-117.458 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.760 40.900-116.309 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.674 39.373-116.277 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.599 40.397-114.823 1.00 0.43 H new ATOM 0 HD21 LEU A 42 65.944 43.069-116.236 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.788 42.562-114.753 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.721 43.121-116.161 1.00 0.60 H new ATOM 459 N ALA A 43 70.546 39.426-117.880 1.00 0.30 N ATOM 460 CA ALA A 43 71.364 39.742-119.068 1.00 0.30 C ATOM 461 C ALA A 43 71.129 38.580-120.014 1.00 0.29 C ATOM 462 O ALA A 43 71.132 38.712-121.213 1.00 0.28 O ATOM 463 CB ALA A 43 72.843 39.823-118.683 1.00 0.36 C ATOM 0 H ALA A 43 71.059 39.046-117.085 1.00 0.30 H new ATOM 0 HA ALA A 43 71.098 40.700-119.515 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.437 40.056-119.567 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.982 40.604-117.936 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.165 38.866-118.272 1.00 0.36 H new ATOM 469 N GLU A 44 70.900 37.432-119.446 1.00 0.30 N ATOM 470 CA GLU A 44 70.618 36.259-120.306 1.00 0.32 C ATOM 471 C GLU A 44 69.301 36.550-121.036 1.00 0.30 C ATOM 472 O GLU A 44 69.264 36.665-122.245 1.00 0.34 O ATOM 473 CB GLU A 44 70.475 34.999-119.446 1.00 0.37 C ATOM 474 CG GLU A 44 70.689 33.760-120.318 1.00 1.15 C ATOM 475 CD GLU A 44 70.508 32.501-119.468 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.139 32.638-118.313 1.00 2.92 O ATOM 477 OE2 GLU A 44 70.740 31.421-119.987 1.00 2.80 O ATOM 0 H GLU A 44 70.896 37.258-118.441 1.00 0.30 H new ATOM 0 HA GLU A 44 71.429 36.090-121.015 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.202 35.015-118.634 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.486 34.968-118.988 1.00 0.37 H new ATOM 0 HG2 GLU A 44 69.980 33.758-121.146 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.688 33.777-120.754 1.00 1.15 H new ATOM 484 N LEU A 45 68.220 36.660-120.310 1.00 0.28 N ATOM 485 CA LEU A 45 66.893 36.932-120.955 1.00 0.29 C ATOM 486 C LEU A 45 66.869 38.326-121.602 1.00 0.24 C ATOM 487 O LEU A 45 66.233 38.533-122.615 1.00 0.25 O ATOM 488 CB LEU A 45 65.791 36.855-119.896 1.00 0.34 C ATOM 489 CG LEU A 45 64.427 37.024-120.567 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.851 35.650-120.913 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.476 37.746-119.611 1.00 0.77 C ATOM 0 H LEU A 45 68.195 36.573-119.294 1.00 0.28 H new ATOM 0 HA LEU A 45 66.728 36.184-121.731 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.837 35.898-119.377 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.938 37.632-119.146 1.00 0.34 H new ATOM 0 HG LEU A 45 64.543 37.609-121.479 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.879 35.773-121.391 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.527 35.133-121.594 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.735 35.064-120.001 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.503 37.867-120.088 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.362 37.160-118.699 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.884 38.726-119.364 1.00 0.77 H new ATOM 503 N HIS A 46 67.574 39.273-121.048 1.00 0.21 N ATOM 504 CA HIS A 46 67.595 40.631-121.671 1.00 0.20 C ATOM 505 C HIS A 46 68.440 40.553-122.944 1.00 0.19 C ATOM 506 O HIS A 46 68.043 40.997-124.003 1.00 0.21 O ATOM 507 CB HIS A 46 68.205 41.652-120.709 1.00 0.23 C ATOM 508 CG HIS A 46 68.142 43.023-121.327 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.096 43.890-121.533 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.267 43.661-121.825 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.563 45.047-122.148 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.876 44.857-122.301 1.00 0.31 N flip ATOM 0 H HIS A 46 68.132 39.170-120.200 1.00 0.21 H new ATOM 0 HA HIS A 46 66.578 40.948-121.903 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.665 41.643-119.762 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.239 41.388-120.489 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.125 43.712-121.274 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.274 43.270-121.830 1.00 0.27 H new ATOM 0 HE1 HIS A 46 66.987 45.913-122.439 1.00 0.35 H new ATOM 520 N ALA A 47 69.603 39.974-122.837 1.00 0.19 N ATOM 521 CA ALA A 47 70.499 39.832-124.019 1.00 0.22 C ATOM 522 C ALA A 47 69.773 39.045-125.104 1.00 0.21 C ATOM 523 O ALA A 47 69.569 39.522-126.201 1.00 0.22 O ATOM 524 CB ALA A 47 71.764 39.074-123.606 1.00 0.27 C ATOM 0 H ALA A 47 69.976 39.588-121.970 1.00 0.19 H new ATOM 0 HA ALA A 47 70.770 40.818-124.397 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.422 38.968-124.468 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.280 39.627-122.821 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.491 38.086-123.234 1.00 0.27 H new ATOM 530 N ASP A 48 69.362 37.847-124.800 1.00 0.22 N ATOM 531 CA ASP A 48 68.629 37.042-125.813 1.00 0.25 C ATOM 532 C ASP A 48 67.467 37.884-126.327 1.00 0.22 C ATOM 533 O ASP A 48 67.308 38.094-127.512 1.00 0.25 O ATOM 534 CB ASP A 48 68.093 35.762-125.167 1.00 0.28 C ATOM 535 CG ASP A 48 69.255 34.813-124.870 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.355 35.099-125.316 1.00 0.84 O ATOM 537 OD2 ASP A 48 69.027 33.818-124.203 1.00 0.94 O ATOM 0 H ASP A 48 69.501 37.392-123.898 1.00 0.22 H new ATOM 0 HA ASP A 48 69.292 36.766-126.633 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.562 36.002-124.246 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.377 35.279-125.832 1.00 0.28 H new ATOM 542 N LEU A 49 66.664 38.387-125.432 1.00 0.19 N ATOM 543 CA LEU A 49 65.525 39.235-125.864 1.00 0.19 C ATOM 544 C LEU A 49 66.060 40.280-126.843 1.00 0.18 C ATOM 545 O LEU A 49 65.425 40.603-127.827 1.00 0.19 O ATOM 546 CB LEU A 49 64.889 39.918-124.652 1.00 0.18 C ATOM 547 CG LEU A 49 63.878 38.964-124.009 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.209 39.653-122.819 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.812 38.578-125.037 1.00 0.89 C ATOM 0 H LEU A 49 66.748 38.247-124.425 1.00 0.19 H new ATOM 0 HA LEU A 49 64.761 38.626-126.347 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.658 40.193-123.930 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.394 40.840-124.957 1.00 0.18 H new ATOM 0 HG LEU A 49 64.395 38.068-123.667 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.490 38.973-122.362 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.966 39.927-122.084 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.693 40.550-123.161 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.093 37.899-124.578 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.296 39.475-125.380 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.286 38.085-125.885 1.00 0.89 H new ATOM 561 N LYS A 50 67.240 40.792-126.601 1.00 0.20 N ATOM 562 CA LYS A 50 67.815 41.786-127.549 1.00 0.21 C ATOM 563 C LYS A 50 68.100 41.059-128.859 1.00 0.23 C ATOM 564 O LYS A 50 67.606 41.420-129.905 1.00 0.24 O ATOM 565 CB LYS A 50 69.121 42.359-126.987 1.00 0.24 C ATOM 566 CG LYS A 50 68.865 42.970-125.607 1.00 0.36 C ATOM 567 CD LYS A 50 69.263 44.449-125.620 1.00 0.84 C ATOM 568 CE LYS A 50 70.785 44.567-125.531 1.00 1.09 C ATOM 569 NZ LYS A 50 71.181 44.825-124.118 1.00 1.84 N ATOM 0 H LYS A 50 67.823 40.566-125.795 1.00 0.20 H new ATOM 0 HA LYS A 50 67.117 42.609-127.703 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.872 41.573-126.913 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.518 43.117-127.663 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.813 42.868-125.342 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.437 42.435-124.849 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.903 44.926-126.532 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.797 44.969-124.783 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.253 43.650-125.890 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.136 45.376-126.172 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.881 45.594-124.088 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.343 45.099-123.567 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.596 43.963-123.711 1.00 1.84 H new ATOM 583 N ILE A 51 68.884 40.023-128.805 1.00 0.25 N ATOM 584 CA ILE A 51 69.172 39.277-130.055 1.00 0.27 C ATOM 585 C ILE A 51 67.837 39.137-130.784 1.00 0.26 C ATOM 586 O ILE A 51 67.654 39.632-131.891 1.00 0.25 O ATOM 587 CB ILE A 51 69.734 37.894-129.723 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.249 37.993-129.531 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.430 36.930-130.871 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.556 38.994-128.415 1.00 0.30 C ATOM 0 H ILE A 51 69.332 39.665-127.962 1.00 0.25 H new ATOM 0 HA ILE A 51 69.909 39.796-130.668 1.00 0.27 H new ATOM 0 HB ILE A 51 69.273 37.525-128.807 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.659 37.015-129.280 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.724 38.310-130.459 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.831 35.944-130.634 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.351 36.859-131.011 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.891 37.299-131.787 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.635 39.066-128.277 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.159 39.973-128.685 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.093 38.658-127.487 1.00 0.30 H new ATOM 602 N GLN A 52 66.881 38.501-130.163 1.00 0.26 N ATOM 603 CA GLN A 52 65.556 38.372-130.804 1.00 0.27 C ATOM 604 C GLN A 52 65.070 39.769-131.181 1.00 0.24 C ATOM 605 O GLN A 52 64.297 39.932-132.092 1.00 0.26 O ATOM 606 CB GLN A 52 64.576 37.733-129.819 1.00 0.32 C ATOM 607 CG GLN A 52 63.445 37.052-130.589 1.00 0.45 C ATOM 608 CD GLN A 52 64.010 35.873-131.382 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.205 36.000-132.666 1.00 1.00 O flip ATOM 610 NE2 GLN A 52 64.278 34.827-130.828 1.00 0.48 N flip ATOM 0 H GLN A 52 66.966 38.069-129.243 1.00 0.26 H new ATOM 0 HA GLN A 52 65.623 37.746-131.694 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.095 37.005-129.195 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.169 38.492-129.151 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.677 36.705-129.898 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.969 37.764-131.264 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.126 34.728-129.824 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.656 34.047-131.366 1.00 0.48 H new ATOM 619 N GLU A 53 65.520 40.783-130.482 1.00 0.23 N ATOM 620 CA GLU A 53 65.078 42.166-130.828 1.00 0.23 C ATOM 621 C GLU A 53 65.745 42.585-132.135 1.00 0.20 C ATOM 622 O GLU A 53 65.182 43.308-132.926 1.00 0.21 O ATOM 623 CB GLU A 53 65.475 43.158-129.739 1.00 0.25 C ATOM 624 CG GLU A 53 65.068 44.565-130.183 1.00 0.28 C ATOM 625 CD GLU A 53 66.284 45.493-130.118 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.379 45.021-130.374 1.00 1.04 O ATOM 627 OE2 GLU A 53 66.099 46.660-129.813 1.00 1.09 O ATOM 0 H GLU A 53 66.167 40.713-129.696 1.00 0.23 H new ATOM 0 HA GLU A 53 63.992 42.168-130.925 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.986 42.902-128.799 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.550 43.114-129.562 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.672 44.537-131.198 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.273 44.945-129.541 1.00 0.28 H new ATOM 634 N ARG A 54 66.943 42.132-132.371 1.00 0.22 N ATOM 635 CA ARG A 54 67.636 42.498-133.632 1.00 0.22 C ATOM 636 C ARG A 54 66.931 41.800-134.783 1.00 0.20 C ATOM 637 O ARG A 54 66.807 42.324-135.874 1.00 0.21 O ATOM 638 CB ARG A 54 69.082 42.016-133.567 1.00 0.24 C ATOM 639 CG ARG A 54 69.890 42.940-132.659 1.00 0.27 C ATOM 640 CD ARG A 54 71.253 43.220-133.294 1.00 0.85 C ATOM 641 NE ARG A 54 71.059 43.838-134.636 1.00 1.55 N ATOM 642 CZ ARG A 54 72.058 44.429-135.233 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.227 44.475-134.656 1.00 2.40 N ATOM 644 NH2 ARG A 54 71.887 44.971-136.408 1.00 3.03 N ATOM 0 H ARG A 54 67.471 41.524-131.744 1.00 0.22 H new ATOM 0 HA ARG A 54 67.618 43.579-133.774 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.119 40.995-133.188 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.516 42.001-134.567 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.351 43.875-132.503 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.021 42.480-131.680 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.833 43.886-132.656 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.820 42.294-133.387 1.00 0.85 H new ATOM 0 HE ARG A 54 70.145 43.799-135.088 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.360 44.049-133.739 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.008 44.937-135.122 1.00 2.40 H new ATOM 0 HH21 ARG A 54 70.973 44.933-136.859 1.00 3.03 H new ATOM 0 HH22 ARG A 54 72.667 45.433-136.875 1.00 3.03 H new ATOM 658 N ASP A 55 66.437 40.625-134.526 1.00 0.20 N ATOM 659 CA ASP A 55 65.705 39.876-135.588 1.00 0.21 C ATOM 660 C ASP A 55 64.243 40.339-135.616 1.00 0.21 C ATOM 661 O ASP A 55 63.624 40.437-136.662 1.00 0.20 O ATOM 662 CB ASP A 55 65.761 38.378-135.286 1.00 0.25 C ATOM 663 CG ASP A 55 67.211 37.896-135.357 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.019 38.598-135.942 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.488 36.833-134.828 1.00 0.94 O ATOM 0 H ASP A 55 66.507 40.148-133.627 1.00 0.20 H new ATOM 0 HA ASP A 55 66.168 40.067-136.556 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.349 38.180-134.296 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.149 37.829-136.002 1.00 0.25 H new ATOM 670 N GLU A 56 63.697 40.662-134.477 1.00 0.27 N ATOM 671 CA GLU A 56 62.293 41.143-134.432 1.00 0.32 C ATOM 672 C GLU A 56 62.259 42.527-135.048 1.00 0.30 C ATOM 673 O GLU A 56 61.483 42.803-135.935 1.00 0.31 O ATOM 674 CB GLU A 56 61.807 41.207-132.984 1.00 0.39 C ATOM 675 CG GLU A 56 61.622 39.788-132.443 1.00 0.44 C ATOM 676 CD GLU A 56 60.234 39.273-132.826 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.704 39.740-133.820 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.724 38.420-132.118 1.00 1.72 O ATOM 0 H GLU A 56 64.167 40.612-133.573 1.00 0.27 H new ATOM 0 HA GLU A 56 61.641 40.463-134.981 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.527 41.750-132.372 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.866 41.754-132.929 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.390 39.130-132.848 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.737 39.783-131.359 1.00 0.44 H new ATOM 685 N LEU A 57 63.123 43.393-134.612 1.00 0.30 N ATOM 686 CA LEU A 57 63.158 44.742-135.215 1.00 0.32 C ATOM 687 C LEU A 57 63.489 44.557-136.692 1.00 0.28 C ATOM 688 O LEU A 57 62.820 45.073-137.563 1.00 0.29 O ATOM 689 CB LEU A 57 64.240 45.588-134.541 1.00 0.36 C ATOM 690 CG LEU A 57 63.716 46.121-133.208 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.879 46.693-132.397 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.685 47.220-133.470 1.00 1.22 C ATOM 0 H LEU A 57 63.801 43.225-133.869 1.00 0.30 H new ATOM 0 HA LEU A 57 62.203 45.252-135.088 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.136 44.989-134.378 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.525 46.417-135.189 1.00 0.36 H new ATOM 0 HG LEU A 57 63.248 45.311-132.649 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.507 47.074-131.446 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.614 45.909-132.212 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.347 47.504-132.954 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.310 47.601-132.520 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.152 48.032-134.028 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.857 46.811-134.049 1.00 1.22 H new ATOM 704 N ALA A 58 64.503 43.779-136.984 1.00 0.25 N ATOM 705 CA ALA A 58 64.838 43.529-138.408 1.00 0.24 C ATOM 706 C ALA A 58 63.563 43.041-139.089 1.00 0.21 C ATOM 707 O ALA A 58 63.364 43.214-140.275 1.00 0.21 O ATOM 708 CB ALA A 58 65.925 42.455-138.507 1.00 0.24 C ATOM 0 H ALA A 58 65.103 43.314-136.302 1.00 0.25 H new ATOM 0 HA ALA A 58 65.212 44.435-138.885 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.166 42.277-139.555 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.819 42.792-137.982 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.565 41.531-138.055 1.00 0.24 H new ATOM 714 N TRP A 59 62.680 42.457-138.320 1.00 0.19 N ATOM 715 CA TRP A 59 61.399 41.990-138.909 1.00 0.18 C ATOM 716 C TRP A 59 60.453 43.184-139.077 1.00 0.20 C ATOM 717 O TRP A 59 59.980 43.459-140.163 1.00 0.30 O ATOM 718 CB TRP A 59 60.728 40.937-138.030 1.00 0.19 C ATOM 719 CG TRP A 59 59.511 40.460-138.749 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.497 39.487-139.687 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.141 40.933-138.627 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.208 39.332-140.154 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.331 40.202-139.528 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.529 41.915-137.830 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.960 40.438-139.633 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.150 42.155-137.932 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.368 41.418-138.832 1.00 0.39 C ATOM 0 H TRP A 59 62.792 42.287-137.321 1.00 0.19 H new ATOM 0 HA TRP A 59 61.617 41.537-139.876 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.409 40.108-137.838 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.460 41.360-137.062 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.356 38.922-140.018 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.935 38.660-140.871 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.124 42.489-137.134 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.361 39.868-140.328 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.689 42.911-137.314 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.307 41.608-138.906 1.00 0.39 H new ATOM 738 N LYS A 60 60.165 43.897-138.015 1.00 0.27 N ATOM 739 CA LYS A 60 59.243 45.059-138.162 1.00 0.30 C ATOM 740 C LYS A 60 59.643 45.781-139.447 1.00 0.29 C ATOM 741 O LYS A 60 58.817 46.261-140.204 1.00 0.31 O ATOM 742 CB LYS A 60 59.368 46.001-136.958 1.00 0.38 C ATOM 743 CG LYS A 60 60.533 46.970-137.166 1.00 0.42 C ATOM 744 CD LYS A 60 60.042 48.200-137.934 1.00 1.08 C ATOM 745 CE LYS A 60 59.843 49.362-136.959 1.00 1.53 C ATOM 746 NZ LYS A 60 59.401 50.571-137.711 1.00 2.27 N ATOM 0 H LYS A 60 60.521 43.728-137.074 1.00 0.27 H new ATOM 0 HA LYS A 60 58.206 44.728-138.208 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.441 46.558-136.825 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.525 45.422-136.048 1.00 0.38 H new ATOM 0 HG2 LYS A 60 60.947 47.270-136.203 1.00 0.42 H new ATOM 0 HG3 LYS A 60 61.334 46.479-137.718 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.765 48.475-138.702 1.00 1.08 H new ATOM 0 HD3 LYS A 60 59.105 47.974-138.444 1.00 1.08 H new ATOM 0 HE2 LYS A 60 59.100 49.097-136.207 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.773 49.570-136.429 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 59.664 51.426-137.180 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.861 50.587-138.643 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.369 50.545-137.835 1.00 2.27 H new ATOM 760 N LYS A 61 60.915 45.812-139.720 1.00 0.28 N ATOM 761 CA LYS A 61 61.380 46.448-140.975 1.00 0.30 C ATOM 762 C LYS A 61 60.974 45.538-142.132 1.00 0.27 C ATOM 763 O LYS A 61 60.394 45.976-143.093 1.00 0.35 O ATOM 764 CB LYS A 61 62.898 46.619-140.959 1.00 0.35 C ATOM 765 CG LYS A 61 63.315 47.408-139.716 1.00 0.40 C ATOM 766 CD LYS A 61 64.798 47.774-139.816 1.00 0.77 C ATOM 767 CE LYS A 61 65.141 48.813-138.748 1.00 1.42 C ATOM 768 NZ LYS A 61 64.090 49.868-138.724 1.00 2.43 N ATOM 0 H LYS A 61 61.650 45.425-139.128 1.00 0.28 H new ATOM 0 HA LYS A 61 60.932 47.436-141.083 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.384 45.643-140.962 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.224 47.140-141.859 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.712 48.312-139.627 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.136 46.815-138.819 1.00 0.40 H new ATOM 0 HD2 LYS A 61 65.413 46.884-139.683 1.00 0.77 H new ATOM 0 HD3 LYS A 61 65.020 48.169-140.807 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.214 48.335-137.771 1.00 1.42 H new ATOM 0 HE3 LYS A 61 66.113 49.258-138.958 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 64.487 50.745-138.330 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 63.753 50.045-139.692 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 63.295 49.552-138.133 1.00 2.43 H new ATOM 782 N LEU A 62 61.264 44.267-142.044 1.00 0.24 N ATOM 783 CA LEU A 62 60.875 43.348-143.148 1.00 0.24 C ATOM 784 C LEU A 62 59.442 43.650-143.552 1.00 0.24 C ATOM 785 O LEU A 62 59.158 44.033-144.669 1.00 0.26 O ATOM 786 CB LEU A 62 60.935 41.897-142.666 1.00 0.24 C ATOM 787 CG LEU A 62 62.343 41.334-142.857 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.622 40.291-141.775 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.442 40.669-144.233 1.00 0.41 C ATOM 0 H LEU A 62 61.750 43.830-141.261 1.00 0.24 H new ATOM 0 HA LEU A 62 61.557 43.488-143.987 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.654 41.844-141.614 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.216 41.293-143.219 1.00 0.24 H new ATOM 0 HG LEU A 62 63.071 42.142-142.786 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.626 39.888-141.909 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.546 40.757-140.792 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.893 39.484-141.851 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.446 40.267-144.371 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.714 39.860-144.299 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.237 41.406-145.009 1.00 0.41 H new ATOM 801 N LYS A 63 58.535 43.454-142.643 1.00 0.24 N ATOM 802 CA LYS A 63 57.102 43.699-142.960 1.00 0.26 C ATOM 803 C LYS A 63 56.924 45.132-143.468 1.00 0.29 C ATOM 804 O LYS A 63 56.121 45.391-144.343 1.00 0.30 O ATOM 805 CB LYS A 63 56.245 43.486-141.710 1.00 0.34 C ATOM 806 CG LYS A 63 56.234 44.762-140.866 1.00 0.46 C ATOM 807 CD LYS A 63 55.407 44.532-139.601 1.00 0.41 C ATOM 808 CE LYS A 63 54.446 45.705-139.400 1.00 0.58 C ATOM 809 NZ LYS A 63 53.560 45.426-138.234 1.00 1.20 N ATOM 0 H LYS A 63 58.722 43.134-141.693 1.00 0.24 H new ATOM 0 HA LYS A 63 56.784 42.999-143.733 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.228 43.220-141.996 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.639 42.655-141.125 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.253 45.043-140.600 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.815 45.587-141.442 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.848 43.600-139.684 1.00 0.41 H new ATOM 0 HD3 LYS A 63 56.064 44.434-138.737 1.00 0.41 H new ATOM 0 HE2 LYS A 63 55.007 46.624-139.232 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.847 45.856-140.298 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.906 46.223-138.096 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.015 44.558-138.412 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.140 45.302-137.379 1.00 1.20 H new ATOM 823 N LEU A 64 57.658 46.073-142.929 1.00 0.33 N ATOM 824 CA LEU A 64 57.523 47.488-143.382 1.00 0.43 C ATOM 825 C LEU A 64 58.019 47.652-144.824 1.00 0.52 C ATOM 826 O LEU A 64 57.345 48.213-145.665 1.00 0.75 O ATOM 827 CB LEU A 64 58.365 48.364-142.450 1.00 0.38 C ATOM 828 CG LEU A 64 57.525 48.787-141.244 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.385 49.613-140.286 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.340 49.630-141.719 1.00 1.23 C ATOM 0 H LEU A 64 58.347 45.920-142.192 1.00 0.33 H new ATOM 0 HA LEU A 64 56.474 47.781-143.352 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.246 47.816-142.117 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.720 49.245-142.985 1.00 0.38 H new ATOM 0 HG LEU A 64 57.158 47.899-140.729 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.786 49.914-139.427 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.230 49.014-139.947 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.753 50.501-140.801 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.741 49.932-140.860 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.708 50.517-142.235 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.726 49.042-142.401 1.00 1.23 H new ATOM 842 N ASP A 65 59.195 47.177-145.105 1.00 0.45 N ATOM 843 CA ASP A 65 59.756 47.307-146.477 1.00 0.60 C ATOM 844 C ASP A 65 59.064 46.322-147.417 1.00 0.96 C ATOM 845 O ASP A 65 59.273 46.349-148.614 1.00 0.98 O ATOM 846 CB ASP A 65 61.257 47.009-146.443 1.00 0.53 C ATOM 847 CG ASP A 65 61.982 48.122-145.686 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.313 49.038-145.237 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.193 48.040-145.569 1.00 1.31 O ATOM 0 H ASP A 65 59.800 46.699-144.437 1.00 0.45 H new ATOM 0 HA ASP A 65 59.591 48.322-146.837 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.437 46.049-145.959 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.646 46.932-147.458 1.00 0.53 H new ATOM 854 N GLY A 66 58.239 45.454-146.899 1.00 1.30 N ATOM 855 CA GLY A 66 57.542 44.481-147.783 1.00 1.72 C ATOM 856 C GLY A 66 58.498 43.352-148.171 1.00 0.91 C ATOM 857 O GLY A 66 58.759 43.126-149.336 1.00 1.14 O ATOM 0 H GLY A 66 58.019 45.377-145.906 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.671 44.072-147.272 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.179 44.985-148.678 1.00 1.72 H new ATOM 861 N LEU A 67 59.012 42.628-147.212 1.00 0.37 N ATOM 862 CA LEU A 67 59.931 41.511-147.552 1.00 1.03 C ATOM 863 C LEU A 67 59.252 40.186-147.206 1.00 0.91 C ATOM 864 O LEU A 67 59.340 39.224-147.944 1.00 1.09 O ATOM 865 CB LEU A 67 61.240 41.658-146.775 1.00 1.69 C ATOM 866 CG LEU A 67 62.195 42.554-147.567 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.242 43.155-146.626 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.899 41.724-148.642 1.00 2.68 C ATOM 0 H LEU A 67 58.835 42.763-146.217 1.00 0.37 H new ATOM 0 HA LEU A 67 60.160 41.532-148.618 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.048 42.089-145.793 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.692 40.680-146.611 1.00 1.69 H new ATOM 0 HG LEU A 67 61.627 43.357-148.036 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.919 43.792-147.195 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.744 43.748-145.859 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.809 42.353-146.153 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.579 42.362-149.207 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.463 40.920-148.169 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.157 41.298-149.317 1.00 2.68 H new ATOM 880 N ASP A 68 58.512 40.146-146.131 1.00 0.69 N ATOM 881 CA ASP A 68 57.752 38.912-145.780 1.00 0.59 C ATOM 882 C ASP A 68 56.274 39.241-145.981 1.00 0.59 C ATOM 883 O ASP A 68 55.734 40.055-145.259 1.00 0.59 O ATOM 884 CB ASP A 68 57.996 38.534-144.311 1.00 0.53 C ATOM 885 CG ASP A 68 57.346 37.178-144.034 1.00 0.64 C ATOM 886 OD1 ASP A 68 56.768 36.622-144.953 1.00 0.97 O ATOM 887 OD2 ASP A 68 57.436 36.718-142.910 1.00 1.19 O ATOM 0 H ASP A 68 58.401 40.920-145.477 1.00 0.69 H new ATOM 0 HA ASP A 68 58.067 38.073-146.400 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.066 38.488-144.106 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.578 39.294-143.652 1.00 0.53 H new ATOM 892 N GLU A 69 55.584 38.659-146.927 1.00 0.63 N ATOM 893 CA GLU A 69 54.150 39.018-147.089 1.00 0.69 C ATOM 894 C GLU A 69 53.275 38.112-146.221 1.00 0.71 C ATOM 895 O GLU A 69 52.070 38.265-146.181 1.00 0.77 O ATOM 896 CB GLU A 69 53.746 38.855-148.555 1.00 0.73 C ATOM 897 CG GLU A 69 53.680 37.367-148.904 1.00 0.75 C ATOM 898 CD GLU A 69 53.348 37.205-150.389 1.00 1.36 C ATOM 899 OE1 GLU A 69 54.255 37.327-151.196 1.00 1.82 O ATOM 900 OE2 GLU A 69 52.192 36.960-150.694 1.00 2.06 O ATOM 0 H GLU A 69 55.945 37.964-147.581 1.00 0.63 H new ATOM 0 HA GLU A 69 54.009 40.053-146.778 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.778 39.324-148.731 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.466 39.359-149.200 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.633 36.887-148.679 1.00 0.75 H new ATOM 0 HG3 GLU A 69 52.923 36.873-148.295 1.00 0.75 H new ATOM 907 N ASP A 70 53.852 37.168-145.527 1.00 0.72 N ATOM 908 CA ASP A 70 53.026 36.268-144.676 1.00 0.78 C ATOM 909 C ASP A 70 53.531 36.346-143.236 1.00 0.69 C ATOM 910 O ASP A 70 52.976 35.747-142.337 1.00 0.84 O ATOM 911 CB ASP A 70 53.143 34.830-145.184 1.00 0.83 C ATOM 912 CG ASP A 70 52.180 34.623-146.355 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.499 35.571-146.711 1.00 1.34 O ATOM 914 OD2 ASP A 70 52.140 33.520-146.875 1.00 1.43 O ATOM 0 H ASP A 70 54.855 36.983-145.513 1.00 0.72 H new ATOM 0 HA ASP A 70 51.982 36.577-144.718 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.166 34.627-145.500 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.912 34.129-144.381 1.00 0.83 H new ATOM 919 N GLY A 71 54.570 37.102-143.011 1.00 0.50 N ATOM 920 CA GLY A 71 55.107 37.253-141.631 1.00 0.43 C ATOM 921 C GLY A 71 55.684 35.935-141.107 1.00 0.34 C ATOM 922 O GLY A 71 55.570 35.637-139.935 1.00 0.31 O ATOM 0 H GLY A 71 55.072 37.624-143.729 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.882 38.020-141.623 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.314 37.594-140.966 1.00 0.43 H new ATOM 926 N GLU A 72 56.325 35.143-141.931 1.00 0.36 N ATOM 927 CA GLU A 72 56.903 33.881-141.388 1.00 0.34 C ATOM 928 C GLU A 72 58.143 34.250-140.572 1.00 0.30 C ATOM 929 O GLU A 72 58.273 33.883-139.423 1.00 0.30 O ATOM 930 CB GLU A 72 57.297 32.954-142.541 1.00 0.40 C ATOM 931 CG GLU A 72 56.167 31.956-142.804 1.00 1.23 C ATOM 932 CD GLU A 72 56.573 31.012-143.936 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.584 31.274-144.567 1.00 2.68 O ATOM 934 OE2 GLU A 72 55.866 30.042-144.154 1.00 2.64 O ATOM 0 H GLU A 72 56.469 35.310-142.927 1.00 0.36 H new ATOM 0 HA GLU A 72 56.175 33.364-140.763 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.497 33.538-143.439 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.216 32.422-142.296 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.953 31.386-141.900 1.00 1.23 H new ATOM 0 HG3 GLU A 72 55.253 32.487-143.069 1.00 1.23 H new ATOM 941 N LYS A 73 59.052 34.987-141.154 1.00 0.31 N ATOM 942 CA LYS A 73 60.260 35.376-140.375 1.00 0.33 C ATOM 943 C LYS A 73 59.761 35.868-139.020 1.00 0.29 C ATOM 944 O LYS A 73 60.434 35.782-138.005 1.00 0.29 O ATOM 945 CB LYS A 73 61.051 36.474-141.091 1.00 0.38 C ATOM 946 CG LYS A 73 60.222 37.047-142.238 1.00 0.55 C ATOM 947 CD LYS A 73 60.360 36.139-143.463 1.00 1.07 C ATOM 948 CE LYS A 73 61.719 36.380-144.125 1.00 1.38 C ATOM 949 NZ LYS A 73 61.656 35.955-145.553 1.00 2.36 N ATOM 0 H LYS A 73 59.012 35.329-142.114 1.00 0.31 H new ATOM 0 HA LYS A 73 60.937 34.529-140.263 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.310 37.265-140.388 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.987 36.069-141.474 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.175 37.123-141.943 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.560 38.055-142.478 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.268 35.094-143.167 1.00 1.07 H new ATOM 0 HD3 LYS A 73 59.557 36.342-144.172 1.00 1.07 H new ATOM 0 HE2 LYS A 73 61.986 37.435-144.059 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.495 35.822-143.602 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 62.579 36.118-146.005 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 61.419 34.944-145.604 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 60.926 36.507-146.048 1.00 2.36 H new ATOM 963 N GLU A 74 58.530 36.302-138.996 1.00 0.28 N ATOM 964 CA GLU A 74 57.907 36.727-137.720 1.00 0.28 C ATOM 965 C GLU A 74 57.502 35.441-137.018 1.00 0.26 C ATOM 966 O GLU A 74 57.671 35.265-135.845 1.00 0.27 O ATOM 967 CB GLU A 74 56.661 37.558-138.014 1.00 0.31 C ATOM 968 CG GLU A 74 56.390 38.489-136.836 1.00 0.37 C ATOM 969 CD GLU A 74 54.894 38.500-136.513 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.153 37.808-137.193 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.514 39.200-135.590 1.00 1.11 O ATOM 0 H GLU A 74 57.928 36.379-139.816 1.00 0.28 H new ATOM 0 HA GLU A 74 58.585 37.329-137.115 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.803 38.138-138.926 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.805 36.905-138.181 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.957 38.161-135.964 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.727 39.498-137.074 1.00 0.37 H new ATOM 978 N ALA A 75 56.997 34.536-137.794 1.00 0.25 N ATOM 979 CA ALA A 75 56.606 33.219-137.232 1.00 0.27 C ATOM 980 C ALA A 75 57.831 32.698-136.506 1.00 0.26 C ATOM 981 O ALA A 75 57.840 32.567-135.301 1.00 0.27 O ATOM 982 CB ALA A 75 56.193 32.256-138.348 1.00 0.30 C ATOM 0 H ALA A 75 56.837 34.648-138.795 1.00 0.25 H new ATOM 0 HA ALA A 75 55.751 33.310-136.562 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.910 31.297-137.915 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.345 32.672-138.893 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.029 32.113-139.033 1.00 0.30 H new ATOM 988 N ARG A 76 58.873 32.411-137.222 1.00 0.28 N ATOM 989 CA ARG A 76 60.095 31.910-136.548 1.00 0.31 C ATOM 990 C ARG A 76 60.361 32.782-135.326 1.00 0.28 C ATOM 991 O ARG A 76 60.614 32.289-134.247 1.00 0.30 O ATOM 992 CB ARG A 76 61.284 31.984-137.509 1.00 0.35 C ATOM 993 CG ARG A 76 60.950 31.224-138.793 1.00 0.66 C ATOM 994 CD ARG A 76 60.724 29.746-138.468 1.00 1.00 C ATOM 995 NE ARG A 76 60.824 28.942-139.718 1.00 1.51 N ATOM 996 CZ ARG A 76 60.961 27.646-139.651 1.00 2.03 C ATOM 997 NH1 ARG A 76 61.009 27.054-138.489 1.00 2.34 N ATOM 998 NH2 ARG A 76 61.050 26.942-140.746 1.00 3.14 N ATOM 0 H ARG A 76 58.933 32.500-138.236 1.00 0.28 H new ATOM 0 HA ARG A 76 59.957 30.872-136.244 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.515 33.024-137.739 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.171 31.556-137.041 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.058 31.646-139.256 1.00 0.66 H new ATOM 0 HG3 ARG A 76 61.762 31.329-139.512 1.00 0.66 H new ATOM 0 HD2 ARG A 76 61.463 29.405-137.743 1.00 1.00 H new ATOM 0 HD3 ARG A 76 59.744 29.609-138.012 1.00 1.00 H new ATOM 0 HE ARG A 76 60.785 29.404-140.626 1.00 1.51 H new ATOM 0 HH11 ARG A 76 60.939 27.604-137.633 1.00 2.34 H new ATOM 0 HH12 ARG A 76 61.116 26.041-138.437 1.00 2.34 H new ATOM 0 HH21 ARG A 76 61.013 27.405-141.654 1.00 3.14 H new ATOM 0 HH22 ARG A 76 61.157 25.929-140.694 1.00 3.14 H new ATOM 1012 N LEU A 77 60.303 34.076-135.479 1.00 0.30 N ATOM 1013 CA LEU A 77 60.551 34.966-134.307 1.00 0.31 C ATOM 1014 C LEU A 77 59.581 34.609-133.177 1.00 0.29 C ATOM 1015 O LEU A 77 59.983 34.229-132.097 1.00 0.30 O ATOM 1016 CB LEU A 77 60.343 36.423-134.720 1.00 0.35 C ATOM 1017 CG LEU A 77 61.547 36.894-135.536 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.215 38.217-136.226 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.746 37.095-134.605 1.00 0.38 C ATOM 0 H LEU A 77 60.097 34.554-136.356 1.00 0.30 H new ATOM 0 HA LEU A 77 61.575 34.831-133.959 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.430 36.519-135.308 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.220 37.049-133.836 1.00 0.35 H new ATOM 0 HG LEU A 77 61.789 36.143-136.288 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.075 38.550-136.807 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.361 38.077-136.889 1.00 0.51 H new ATOM 0 HD13 LEU A 77 60.972 38.968-135.475 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.605 37.431-135.186 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.501 37.845-133.853 1.00 0.38 H new ATOM 0 HD23 LEU A 77 62.987 36.153-134.113 1.00 0.38 H new ATOM 1031 N ILE A 78 58.307 34.717-133.426 1.00 0.29 N ATOM 1032 CA ILE A 78 57.293 34.380-132.388 1.00 0.32 C ATOM 1033 C ILE A 78 57.619 33.021-131.791 1.00 0.30 C ATOM 1034 O ILE A 78 57.604 32.837-130.597 1.00 0.32 O ATOM 1035 CB ILE A 78 55.914 34.328-133.031 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.534 35.732-133.478 1.00 0.38 C ATOM 1037 CG2 ILE A 78 54.891 33.819-132.013 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.793 35.657-134.807 1.00 0.37 C ATOM 0 H ILE A 78 57.919 35.029-134.317 1.00 0.29 H new ATOM 0 HA ILE A 78 57.304 35.138-131.604 1.00 0.32 H new ATOM 0 HB ILE A 78 55.927 33.654-133.888 1.00 0.37 H new ATOM 0 HG12 ILE A 78 54.906 36.208-132.725 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.428 36.347-133.582 1.00 0.38 H new ATOM 0 HG21 ILE A 78 53.905 33.783-132.475 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.174 32.820-131.682 1.00 0.45 H new ATOM 0 HG23 ILE A 78 54.865 34.492-131.156 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.520 36.662-135.129 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.437 35.198-135.557 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.891 35.057-134.687 1.00 0.37 H new ATOM 1050 N ARG A 79 57.942 32.077-132.621 1.00 0.29 N ATOM 1051 CA ARG A 79 58.308 30.729-132.086 1.00 0.32 C ATOM 1052 C ARG A 79 59.579 30.883-131.247 1.00 0.26 C ATOM 1053 O ARG A 79 59.762 30.219-130.248 1.00 0.26 O ATOM 1054 CB ARG A 79 58.565 29.754-133.236 1.00 0.38 C ATOM 1055 CG ARG A 79 57.577 30.028-134.367 1.00 0.39 C ATOM 1056 CD ARG A 79 56.868 28.728-134.755 1.00 0.39 C ATOM 1057 NE ARG A 79 55.977 28.978-135.924 1.00 1.50 N ATOM 1058 CZ ARG A 79 55.507 27.974-136.613 1.00 2.14 C ATOM 1059 NH1 ARG A 79 55.820 26.752-136.280 1.00 2.28 N ATOM 1060 NH2 ARG A 79 54.726 28.193-137.635 1.00 3.27 N ATOM 0 H ARG A 79 57.971 32.171-133.636 1.00 0.29 H new ATOM 0 HA ARG A 79 57.493 30.335-131.479 1.00 0.32 H new ATOM 0 HB2 ARG A 79 59.587 29.863-133.598 1.00 0.38 H new ATOM 0 HB3 ARG A 79 58.458 28.727-132.887 1.00 0.38 H new ATOM 0 HG2 ARG A 79 56.846 30.773-134.053 1.00 0.39 H new ATOM 0 HG3 ARG A 79 58.101 30.440-135.230 1.00 0.39 H new ATOM 0 HD2 ARG A 79 57.602 27.960-135.001 1.00 0.39 H new ATOM 0 HD3 ARG A 79 56.285 28.354-133.913 1.00 0.39 H new ATOM 0 HE ARG A 79 55.735 29.934-136.185 1.00 1.50 H new ATOM 0 HH11 ARG A 79 56.432 26.582-135.482 1.00 2.28 H new ATOM 0 HH12 ARG A 79 55.453 25.967-136.818 1.00 2.28 H new ATOM 0 HH21 ARG A 79 54.483 29.149-137.895 1.00 3.27 H new ATOM 0 HH22 ARG A 79 54.359 27.408-138.174 1.00 3.27 H new ATOM 1074 N ASN A 80 60.452 31.775-131.641 1.00 0.23 N ATOM 1075 CA ASN A 80 61.705 31.995-130.861 1.00 0.21 C ATOM 1076 C ASN A 80 61.355 32.746-129.578 1.00 0.21 C ATOM 1077 O ASN A 80 62.049 32.662-128.583 1.00 0.22 O ATOM 1078 CB ASN A 80 62.692 32.819-131.690 1.00 0.23 C ATOM 1079 CG ASN A 80 62.777 32.244-133.104 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.041 33.040-134.105 1.00 1.06 O flip ATOM 1081 ND2 ASN A 80 62.603 31.058-133.302 1.00 1.15 N flip ATOM 0 H ASN A 80 60.350 32.360-132.470 1.00 0.23 H new ATOM 0 HA ASN A 80 62.165 31.037-130.617 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.371 33.860-131.728 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.676 32.806-131.221 1.00 0.23 H new ATOM 0 HD21 ASN A 80 62.397 30.435-132.521 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.663 30.685-134.249 1.00 1.15 H new ATOM 1088 N LEU A 81 60.236 33.419-129.573 1.00 0.23 N ATOM 1089 CA LEU A 81 59.794 34.111-128.335 1.00 0.28 C ATOM 1090 C LEU A 81 59.176 33.026-127.476 1.00 0.30 C ATOM 1091 O LEU A 81 59.537 32.815-126.336 1.00 0.31 O ATOM 1092 CB LEU A 81 58.740 35.175-128.665 1.00 0.35 C ATOM 1093 CG LEU A 81 59.419 36.498-129.030 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.379 36.915-127.913 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.195 36.329-130.336 1.00 1.26 C ATOM 0 H LEU A 81 59.611 33.518-130.373 1.00 0.23 H new ATOM 0 HA LEU A 81 60.621 34.617-127.836 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.118 34.836-129.494 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.080 35.321-127.810 1.00 0.35 H new ATOM 0 HG LEU A 81 58.659 37.270-129.155 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.859 37.857-128.179 1.00 1.28 H new ATOM 0 HD12 LEU A 81 59.823 37.040-126.984 1.00 1.28 H new ATOM 0 HD13 LEU A 81 61.139 36.145-127.780 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.679 37.271-130.596 1.00 1.26 H new ATOM 0 HD22 LEU A 81 60.952 35.554-130.212 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.509 36.041-131.132 1.00 1.26 H new ATOM 1107 N ASN A 82 58.268 32.308-128.062 1.00 0.35 N ATOM 1108 CA ASN A 82 57.616 31.183-127.366 1.00 0.42 C ATOM 1109 C ASN A 82 58.695 30.314-126.735 1.00 0.37 C ATOM 1110 O ASN A 82 58.724 30.119-125.538 1.00 0.38 O ATOM 1111 CB ASN A 82 56.820 30.386-128.408 1.00 0.51 C ATOM 1112 CG ASN A 82 55.415 30.975-128.540 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.125 31.713-129.577 1.00 1.27 O flip ATOM 1114 ND2 ASN A 82 54.572 30.761-127.692 1.00 0.98 N flip ATOM 0 H ASN A 82 57.945 32.461-129.018 1.00 0.35 H new ATOM 0 HA ASN A 82 56.943 31.531-126.582 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.330 30.416-129.371 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.760 29.339-128.112 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.799 30.184-126.882 1.00 0.98 H new ATOM 0 HD22 ASN A 82 53.638 31.158-127.790 1.00 0.98 H new ATOM 1121 N VAL A 83 59.596 29.807-127.523 1.00 0.35 N ATOM 1122 CA VAL A 83 60.684 28.971-126.956 1.00 0.36 C ATOM 1123 C VAL A 83 61.386 29.765-125.854 1.00 0.32 C ATOM 1124 O VAL A 83 61.512 29.311-124.738 1.00 0.35 O ATOM 1125 CB VAL A 83 61.688 28.624-128.058 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.628 27.524-127.567 1.00 0.42 C ATOM 1127 CG2 VAL A 83 60.935 28.132-129.298 1.00 0.44 C ATOM 0 H VAL A 83 59.626 29.935-128.534 1.00 0.35 H new ATOM 0 HA VAL A 83 60.272 28.049-126.545 1.00 0.36 H new ATOM 0 HB VAL A 83 62.268 29.512-128.311 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.342 27.278-128.353 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.165 27.871-126.684 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.048 26.637-127.313 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.649 27.885-130.083 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.355 27.245-129.043 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.264 28.915-129.651 1.00 0.44 H new ATOM 1137 N ILE A 84 61.844 30.951-126.159 1.00 0.27 N ATOM 1138 CA ILE A 84 62.531 31.750-125.111 1.00 0.30 C ATOM 1139 C ILE A 84 61.716 31.656-123.823 1.00 0.31 C ATOM 1140 O ILE A 84 62.234 31.338-122.766 1.00 0.37 O ATOM 1141 CB ILE A 84 62.645 33.205-125.543 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.910 33.371-126.384 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.737 34.097-124.303 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.726 34.534-127.349 1.00 0.37 C ATOM 0 H ILE A 84 61.772 31.393-127.075 1.00 0.27 H new ATOM 0 HA ILE A 84 63.537 31.361-124.952 1.00 0.30 H new ATOM 0 HB ILE A 84 61.770 33.489-126.128 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.769 33.553-125.738 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.116 32.454-126.937 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.819 35.140-124.610 1.00 0.44 H new ATOM 0 HG22 ILE A 84 61.842 33.967-123.694 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.616 33.820-123.720 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.627 34.654-127.950 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.878 34.333-128.003 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.541 35.449-126.786 1.00 0.37 H new ATOM 1156 N LEU A 85 60.438 31.918-123.896 1.00 0.35 N ATOM 1157 CA LEU A 85 59.604 31.828-122.667 1.00 0.42 C ATOM 1158 C LEU A 85 59.651 30.400-122.141 1.00 0.42 C ATOM 1159 O LEU A 85 60.053 30.155-121.031 1.00 0.47 O ATOM 1160 CB LEU A 85 58.156 32.198-122.985 1.00 0.54 C ATOM 1161 CG LEU A 85 57.966 33.709-122.853 1.00 0.61 C ATOM 1162 CD1 LEU A 85 57.989 34.093-121.374 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.096 34.436-123.583 1.00 0.61 C ATOM 0 H LEU A 85 59.941 32.188-124.745 1.00 0.35 H new ATOM 0 HA LEU A 85 59.991 32.519-121.918 1.00 0.42 H new ATOM 0 HB2 LEU A 85 57.903 31.877-123.996 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.481 31.677-122.307 1.00 0.54 H new ATOM 0 HG LEU A 85 57.010 33.994-123.293 1.00 0.61 H new ATOM 0 HD11 LEU A 85 57.854 35.170-121.276 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.184 33.577-120.852 1.00 0.69 H new ATOM 0 HD13 LEU A 85 58.946 33.806-120.938 1.00 0.69 H new ATOM 0 HD21 LEU A 85 58.958 35.513-123.487 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.053 34.153-123.145 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.084 34.161-124.638 1.00 0.61 H new ATOM 1175 N ALA A 86 59.250 29.454-122.936 1.00 0.47 N ATOM 1176 CA ALA A 86 59.282 28.038-122.483 1.00 0.58 C ATOM 1177 C ALA A 86 60.668 27.722-121.912 1.00 0.59 C ATOM 1178 O ALA A 86 60.860 26.740-121.221 1.00 0.73 O ATOM 1179 CB ALA A 86 59.006 27.124-123.679 1.00 0.64 C ATOM 0 H ALA A 86 58.900 29.599-123.883 1.00 0.47 H new ATOM 0 HA ALA A 86 58.525 27.878-121.715 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.028 26.084-123.355 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.025 27.354-124.094 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.769 27.282-124.442 1.00 0.64 H new ATOM 1185 N LYS A 87 61.638 28.542-122.216 1.00 0.50 N ATOM 1186 CA LYS A 87 63.024 28.298-121.722 1.00 0.60 C ATOM 1187 C LYS A 87 63.189 28.852-120.310 1.00 0.58 C ATOM 1188 O LYS A 87 63.670 28.178-119.420 1.00 0.71 O ATOM 1189 CB LYS A 87 64.006 29.003-122.651 1.00 0.61 C ATOM 1190 CG LYS A 87 65.371 28.319-122.574 1.00 0.82 C ATOM 1191 CD LYS A 87 66.410 29.164-123.316 1.00 0.99 C ATOM 1192 CE LYS A 87 66.165 29.065-124.823 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.428 29.375-125.552 1.00 2.02 N ATOM 0 H LYS A 87 61.528 29.378-122.790 1.00 0.50 H new ATOM 0 HA LYS A 87 63.216 27.225-121.706 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.634 28.979-123.675 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.098 30.052-122.370 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.667 28.192-121.533 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.316 27.323-123.014 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.346 30.203-122.994 1.00 0.99 H new ATOM 0 HD3 LYS A 87 67.415 28.817-123.076 1.00 0.99 H new ATOM 0 HE2 LYS A 87 65.819 28.064-125.081 1.00 1.63 H new ATOM 0 HE3 LYS A 87 65.380 29.760-125.121 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 67.263 29.308-126.577 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.739 30.338-125.314 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.165 28.695-125.275 1.00 2.02 H new ATOM 1207 N TYR A 88 62.785 30.068-120.094 1.00 0.45 N ATOM 1208 CA TYR A 88 62.912 30.651-118.729 1.00 0.47 C ATOM 1209 C TYR A 88 61.766 30.120-117.877 1.00 0.54 C ATOM 1210 O TYR A 88 61.823 30.086-116.663 1.00 0.58 O ATOM 1211 CB TYR A 88 62.841 32.177-118.811 1.00 0.44 C ATOM 1212 CG TYR A 88 64.192 32.712-119.224 1.00 0.45 C ATOM 1213 CD1 TYR A 88 64.541 32.761-120.579 1.00 0.53 C ATOM 1214 CD2 TYR A 88 65.097 33.155-118.251 1.00 0.58 C ATOM 1215 CE1 TYR A 88 65.795 33.251-120.961 1.00 0.62 C ATOM 1216 CE2 TYR A 88 66.350 33.646-118.634 1.00 0.64 C ATOM 1217 CZ TYR A 88 66.699 33.695-119.989 1.00 0.61 C ATOM 1218 OH TYR A 88 67.935 34.178-120.367 1.00 0.73 O ATOM 0 H TYR A 88 62.374 30.683-120.797 1.00 0.45 H new ATOM 0 HA TYR A 88 63.868 30.372-118.285 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.080 32.480-119.530 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.551 32.593-117.846 1.00 0.44 H new ATOM 0 HD1 TYR A 88 63.843 32.421-121.329 1.00 0.53 H new ATOM 0 HD2 TYR A 88 64.828 33.118-117.206 1.00 0.58 H new ATOM 0 HE1 TYR A 88 66.065 33.287-122.006 1.00 0.62 H new ATOM 0 HE2 TYR A 88 67.048 33.987-117.884 1.00 0.64 H new ATOM 0 HH TYR A 88 67.953 34.305-121.339 1.00 0.73 H new ATOM 1228 N GLY A 89 60.718 29.727-118.529 1.00 0.59 N ATOM 1229 CA GLY A 89 59.527 29.208-117.804 1.00 0.69 C ATOM 1230 C GLY A 89 58.683 30.398-117.357 1.00 0.77 C ATOM 1231 O GLY A 89 58.188 30.446-116.248 1.00 1.09 O ATOM 0 H GLY A 89 60.630 29.742-119.545 1.00 0.59 H new ATOM 0 HA2 GLY A 89 58.945 28.551-118.451 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.835 28.616-116.942 1.00 0.69 H new ATOM 1235 N LEU A 90 58.512 31.358-118.221 1.00 0.65 N ATOM 1236 CA LEU A 90 57.694 32.552-117.863 1.00 0.75 C ATOM 1237 C LEU A 90 56.288 32.390-118.441 1.00 0.80 C ATOM 1238 O LEU A 90 55.308 32.769-117.831 1.00 1.31 O ATOM 1239 CB LEU A 90 58.345 33.813-118.437 1.00 0.82 C ATOM 1240 CG LEU A 90 58.933 34.647-117.298 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.772 35.786-117.880 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.797 35.231-116.456 1.00 1.68 C ATOM 0 H LEU A 90 58.904 31.368-119.163 1.00 0.65 H new ATOM 0 HA LEU A 90 57.635 32.643-116.778 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.128 33.541-119.145 1.00 0.82 H new ATOM 0 HB3 LEU A 90 57.608 34.398-118.987 1.00 0.82 H new ATOM 0 HG LEU A 90 59.563 34.015-116.672 1.00 1.03 H new ATOM 0 HD11 LEU A 90 60.191 36.381-117.068 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.581 35.371-118.481 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.142 36.419-118.506 1.00 1.50 H new ATOM 0 HD21 LEU A 90 58.215 35.826-115.644 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.168 35.863-117.082 1.00 1.68 H new ATOM 0 HD23 LEU A 90 57.198 34.420-116.041 1.00 1.68 H new