USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=6 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 22 MET CE :methyl -169:sc= -0.432 (180deg=-0.903) USER MOD Set 1.2: A 24 LYS NZ :NH3+ -149:sc= -3.75! (180deg=-5.01!) USER MOD Single : A 26 ASN : amide:sc= -4.97! C(o=-5!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -10.4! C(o=-10!,f=-17!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.991 K(o=-0.99,f=-0.053) USER MOD Single : A 36 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.26) USER MOD Single : A 46 HIS : no HD1:sc= -5.53! C(o=-5.5!,f=-3.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -10.6! C(o=-11!,f=-20!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= -14.3! (180deg=-14.4!) USER MOD Single : A 73 LYS NZ :NH3+ -127:sc= -0.433 (180deg=-3.78!) USER MOD Single : A 80 ASN : amide:sc= -1.82! K(o=-1.8!,f=-0.13) USER MOD Single : A 82 ASN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.00997) USER MOD Single : A 88 TYR OH : rot 172:sc= -14.1! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.486 50.010-123.389 1.00 0.57 N ATOM 24 CA GLU A 19 64.563 49.077-123.823 1.00 0.55 C ATOM 25 C GLU A 19 64.455 48.847-125.332 1.00 0.56 C ATOM 26 O GLU A 19 65.407 49.013-126.067 1.00 0.63 O ATOM 27 CB GLU A 19 64.415 47.743-123.079 1.00 0.45 C ATOM 28 CG GLU A 19 62.945 47.319-123.056 1.00 0.38 C ATOM 29 CD GLU A 19 62.134 48.316-122.226 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.730 49.000-121.410 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.932 48.379-122.420 1.00 2.06 O ATOM 0 HA GLU A 19 65.538 49.508-123.593 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.016 46.976-123.567 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.790 47.841-122.060 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.554 47.274-124.072 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.852 46.319-122.634 1.00 0.38 H new ATOM 38 N PHE A 20 63.298 48.473-125.796 1.00 0.51 N ATOM 39 CA PHE A 20 63.112 48.239-127.255 1.00 0.54 C ATOM 40 C PHE A 20 62.028 49.189-127.747 1.00 0.55 C ATOM 41 O PHE A 20 61.623 50.084-127.032 1.00 0.57 O ATOM 42 CB PHE A 20 62.668 46.795-127.481 1.00 0.52 C ATOM 43 CG PHE A 20 63.539 45.881-126.660 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.847 45.604-127.065 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.036 45.321-125.483 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.654 44.761-126.292 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.841 44.480-124.706 1.00 0.51 C ATOM 48 CZ PHE A 20 65.150 44.199-125.110 1.00 0.56 C ATOM 0 H PHE A 20 62.467 48.318-125.225 1.00 0.51 H new ATOM 0 HA PHE A 20 64.043 48.413-127.795 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.622 46.674-127.198 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.744 46.539-128.538 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.235 46.040-127.974 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.025 45.537-125.172 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.664 44.543-126.606 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.452 44.049-123.796 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.772 43.550-124.512 1.00 0.56 H new ATOM 58 N ARG A 21 61.535 49.021-128.941 1.00 0.57 N ATOM 59 CA ARG A 21 60.467 49.932-129.429 1.00 0.60 C ATOM 60 C ARG A 21 59.304 49.066-129.897 1.00 0.57 C ATOM 61 O ARG A 21 58.356 49.527-130.501 1.00 0.59 O ATOM 62 CB ARG A 21 60.994 50.738-130.609 1.00 0.69 C ATOM 63 CG ARG A 21 62.206 51.562-130.169 1.00 0.74 C ATOM 64 CD ARG A 21 62.689 52.425-131.336 1.00 0.82 C ATOM 65 NE ARG A 21 64.151 52.672-131.201 1.00 1.35 N ATOM 66 CZ ARG A 21 64.834 53.124-132.217 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.234 53.361-133.352 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.115 53.340-132.100 1.00 2.72 N ATOM 0 H ARG A 21 61.824 48.295-129.597 1.00 0.57 H new ATOM 0 HA ARG A 21 60.152 50.615-128.640 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.273 50.069-131.423 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.213 51.396-130.990 1.00 0.69 H new ATOM 0 HG2 ARG A 21 61.941 52.194-129.321 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.006 50.901-129.836 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.480 51.926-132.282 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.149 53.372-131.349 1.00 0.82 H new ATOM 0 HE ARG A 21 64.619 52.488-130.314 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.232 53.193-133.444 1.00 2.06 H new ATOM 0 HH12 ARG A 21 64.767 53.714-134.147 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.584 53.156-131.213 1.00 2.72 H new ATOM 0 HH22 ARG A 21 66.647 53.693-132.895 1.00 2.72 H new ATOM 82 N MET A 22 59.383 47.803-129.596 1.00 0.54 N ATOM 83 CA MET A 22 58.304 46.858-129.983 1.00 0.55 C ATOM 84 C MET A 22 57.467 46.549-128.744 1.00 0.49 C ATOM 85 O MET A 22 57.988 46.378-127.660 1.00 0.63 O ATOM 86 CB MET A 22 58.920 45.566-130.521 1.00 0.61 C ATOM 87 CG MET A 22 59.608 45.844-131.859 1.00 0.71 C ATOM 88 SD MET A 22 58.405 46.532-133.024 1.00 1.14 S ATOM 89 CE MET A 22 57.647 44.966-133.520 1.00 1.25 C ATOM 0 H MET A 22 60.161 47.379-129.091 1.00 0.54 H new ATOM 0 HA MET A 22 57.679 47.301-130.758 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.640 45.169-129.806 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.147 44.808-130.649 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.434 46.542-131.718 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.033 44.924-132.260 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.003 45.131-134.384 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.427 44.250-133.780 1.00 1.25 H new ATOM 0 HE3 MET A 22 57.053 44.572-132.695 1.00 1.25 H new ATOM 99 N GLU A 23 56.176 46.493-128.887 1.00 0.47 N ATOM 100 CA GLU A 23 55.320 46.217-127.704 1.00 0.46 C ATOM 101 C GLU A 23 55.586 44.810-127.171 1.00 0.50 C ATOM 102 O GLU A 23 55.701 44.611-125.980 1.00 0.50 O ATOM 103 CB GLU A 23 53.846 46.349-128.093 1.00 0.50 C ATOM 104 CG GLU A 23 53.427 47.818-128.017 1.00 1.45 C ATOM 105 CD GLU A 23 51.927 47.936-128.298 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.304 46.911-128.522 1.00 2.48 O ATOM 107 OE2 GLU A 23 51.428 49.049-128.285 1.00 2.68 O ATOM 0 H GLU A 23 55.678 46.626-129.767 1.00 0.47 H new ATOM 0 HA GLU A 23 55.557 46.939-126.923 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.690 45.967-129.102 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.228 45.749-127.426 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.656 48.222-127.031 1.00 1.45 H new ATOM 0 HG3 GLU A 23 53.991 48.406-128.741 1.00 1.45 H new ATOM 114 N LYS A 24 55.679 43.823-128.020 1.00 0.54 N ATOM 115 CA LYS A 24 55.931 42.446-127.517 1.00 0.59 C ATOM 116 C LYS A 24 57.160 42.445-126.610 1.00 0.53 C ATOM 117 O LYS A 24 57.112 41.991-125.484 1.00 0.55 O ATOM 118 CB LYS A 24 56.172 41.509-128.701 1.00 0.67 C ATOM 119 CG LYS A 24 57.197 42.136-129.648 1.00 0.64 C ATOM 120 CD LYS A 24 57.066 41.502-131.034 1.00 0.77 C ATOM 121 CE LYS A 24 58.245 41.932-131.909 1.00 1.46 C ATOM 122 NZ LYS A 24 57.982 41.540-133.322 1.00 2.09 N ATOM 0 H LYS A 24 55.592 43.911-129.032 1.00 0.54 H new ATOM 0 HA LYS A 24 55.065 42.105-126.950 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.532 40.543-128.347 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.237 41.326-129.230 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.038 43.212-129.712 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.205 41.985-129.261 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.042 40.416-130.947 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.127 41.806-131.497 1.00 0.77 H new ATOM 0 HE2 LYS A 24 58.389 43.010-131.840 1.00 1.46 H new ATOM 0 HE3 LYS A 24 59.164 41.464-131.555 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 58.883 41.332-133.798 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.377 40.694-133.341 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 57.502 42.320-133.815 1.00 2.09 H new ATOM 136 N LEU A 25 58.262 42.942-127.092 1.00 0.47 N ATOM 137 CA LEU A 25 59.500 42.965-126.267 1.00 0.42 C ATOM 138 C LEU A 25 59.270 43.786-124.999 1.00 0.39 C ATOM 139 O LEU A 25 59.482 43.323-123.904 1.00 0.55 O ATOM 140 CB LEU A 25 60.623 43.617-127.071 1.00 0.43 C ATOM 141 CG LEU A 25 61.229 42.607-128.042 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.259 43.210-129.448 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.655 42.283-127.596 1.00 1.03 C ATOM 0 H LEU A 25 58.360 43.336-128.028 1.00 0.47 H new ATOM 0 HA LEU A 25 59.766 41.943-125.997 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.236 44.475-127.621 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.393 43.992-126.397 1.00 0.43 H new ATOM 0 HG LEU A 25 60.630 41.697-128.052 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.691 42.491-130.143 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.244 43.453-129.762 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.863 44.117-129.442 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.096 41.562-128.284 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.252 43.195-127.594 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.635 41.861-126.591 1.00 1.03 H new ATOM 155 N ASN A 26 58.844 45.005-125.148 1.00 0.39 N ATOM 156 CA ASN A 26 58.616 45.839-123.935 1.00 0.37 C ATOM 157 C ASN A 26 57.743 45.033-122.974 1.00 0.40 C ATOM 158 O ASN A 26 58.095 44.791-121.836 1.00 0.40 O ATOM 159 CB ASN A 26 57.913 47.139-124.312 1.00 0.41 C ATOM 160 CG ASN A 26 58.601 47.743-125.537 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.417 47.100-126.166 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.309 48.958-125.904 1.00 0.45 N ATOM 0 H ASN A 26 58.646 45.457-126.041 1.00 0.39 H new ATOM 0 HA ASN A 26 59.567 46.093-123.467 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.861 46.949-124.527 1.00 0.41 H new ATOM 0 HB3 ASN A 26 57.946 47.840-123.478 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.765 49.368-126.719 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.624 49.499-125.377 1.00 0.45 H new ATOM 169 N GLN A 27 56.605 44.622-123.443 1.00 0.44 N ATOM 170 CA GLN A 27 55.680 43.830-122.594 1.00 0.50 C ATOM 171 C GLN A 27 56.455 42.696-121.918 1.00 0.47 C ATOM 172 O GLN A 27 56.425 42.544-120.710 1.00 0.48 O ATOM 173 CB GLN A 27 54.567 43.242-123.462 1.00 0.59 C ATOM 174 CG GLN A 27 53.427 44.256-123.587 1.00 0.58 C ATOM 175 CD GLN A 27 53.979 45.581-124.115 1.00 1.39 C ATOM 176 OE1 GLN A 27 54.907 46.132-123.558 1.00 2.21 O ATOM 177 NE2 GLN A 27 53.441 46.121-125.175 1.00 2.02 N ATOM 0 H GLN A 27 56.271 44.803-124.390 1.00 0.44 H new ATOM 0 HA GLN A 27 55.242 44.476-121.833 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.955 42.992-124.449 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.198 42.316-123.021 1.00 0.59 H new ATOM 0 HG2 GLN A 27 52.660 43.875-124.261 1.00 0.58 H new ATOM 0 HG3 GLN A 27 52.953 44.408-122.617 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.662 45.659-125.643 1.00 2.02 H new ATOM 0 HE22 GLN A 27 53.800 47.005-125.535 1.00 2.02 H new ATOM 186 N LEU A 28 57.132 41.882-122.684 1.00 0.47 N ATOM 187 CA LEU A 28 57.885 40.740-122.084 1.00 0.47 C ATOM 188 C LEU A 28 58.950 41.241-121.108 1.00 0.39 C ATOM 189 O LEU A 28 59.067 40.748-120.005 1.00 0.50 O ATOM 190 CB LEU A 28 58.561 39.939-123.199 1.00 0.50 C ATOM 191 CG LEU A 28 57.500 39.188-124.006 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.165 38.466-125.179 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.807 38.163-123.105 1.00 1.21 C ATOM 0 H LEU A 28 57.197 41.958-123.699 1.00 0.47 H new ATOM 0 HA LEU A 28 57.182 40.110-121.539 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.123 40.607-123.851 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.275 39.234-122.773 1.00 0.50 H new ATOM 0 HG LEU A 28 56.764 39.897-124.386 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.408 37.931-125.753 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.660 39.194-125.821 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.901 37.757-124.800 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.051 37.627-123.678 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.544 37.455-122.725 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.332 38.676-122.269 1.00 1.21 H new ATOM 205 N TRP A 29 59.726 42.215-121.492 1.00 0.37 N ATOM 206 CA TRP A 29 60.775 42.748-120.585 1.00 0.30 C ATOM 207 C TRP A 29 60.121 43.151-119.268 1.00 0.36 C ATOM 208 O TRP A 29 60.431 42.627-118.211 1.00 0.39 O ATOM 209 CB TRP A 29 61.377 43.972-121.280 1.00 0.32 C ATOM 210 CG TRP A 29 62.539 44.524-120.528 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.714 45.835-120.278 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.691 43.838-119.955 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.892 46.009-119.587 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.531 44.810-119.359 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.090 42.489-119.886 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.718 44.460-118.725 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.287 42.135-119.244 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.097 43.122-118.665 1.00 0.41 C ATOM 0 H TRP A 29 59.676 42.668-122.405 1.00 0.37 H new ATOM 0 HA TRP A 29 61.550 42.011-120.375 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.693 43.699-122.287 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.613 44.742-121.384 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.038 46.624-120.572 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.248 46.915-119.281 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.472 41.723-120.330 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.342 45.222-118.282 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.585 41.098-119.196 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.017 42.844-118.172 1.00 0.41 H new ATOM 229 N GLU A 30 59.222 44.089-119.329 1.00 0.45 N ATOM 230 CA GLU A 30 58.547 44.537-118.091 1.00 0.56 C ATOM 231 C GLU A 30 58.163 43.291-117.295 1.00 0.50 C ATOM 232 O GLU A 30 58.376 43.209-116.100 1.00 0.52 O ATOM 233 CB GLU A 30 57.286 45.329-118.449 1.00 0.68 C ATOM 234 CG GLU A 30 57.653 46.796-118.679 1.00 0.86 C ATOM 235 CD GLU A 30 56.395 47.583-119.053 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.358 46.963-119.218 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.491 48.794-119.167 1.00 2.06 O ATOM 0 H GLU A 30 58.928 44.563-120.183 1.00 0.45 H new ATOM 0 HA GLU A 30 59.206 45.178-117.505 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.825 44.914-119.345 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.553 45.248-117.647 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.103 47.215-117.779 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.395 46.876-119.473 1.00 0.86 H new ATOM 244 N LYS A 31 57.604 42.314-117.955 1.00 0.46 N ATOM 245 CA LYS A 31 57.211 41.063-117.249 1.00 0.45 C ATOM 246 C LYS A 31 58.435 40.445-116.559 1.00 0.43 C ATOM 247 O LYS A 31 58.397 40.118-115.387 1.00 0.46 O ATOM 248 CB LYS A 31 56.640 40.067-118.261 1.00 0.44 C ATOM 249 CG LYS A 31 55.187 39.746-117.902 1.00 0.91 C ATOM 250 CD LYS A 31 54.692 38.587-118.770 1.00 0.99 C ATOM 251 CE LYS A 31 54.441 39.086-120.194 1.00 1.36 C ATOM 252 NZ LYS A 31 53.459 38.191-120.868 1.00 2.08 N ATOM 0 H LYS A 31 57.402 42.329-118.955 1.00 0.46 H new ATOM 0 HA LYS A 31 56.457 41.297-116.498 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.693 40.484-119.267 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.235 39.154-118.263 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.111 39.483-116.847 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.560 40.624-118.057 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.430 37.785-118.779 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.775 38.172-118.352 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.062 40.108-120.171 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.376 39.105-120.754 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.288 38.530-121.836 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.838 37.223-120.902 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.565 38.194-120.337 1.00 2.08 H new ATOM 266 N ALA A 32 59.521 40.269-117.268 1.00 0.41 N ATOM 267 CA ALA A 32 60.719 39.661-116.620 1.00 0.41 C ATOM 268 C ALA A 32 61.097 40.479-115.391 1.00 0.41 C ATOM 269 O ALA A 32 61.066 39.987-114.274 1.00 0.42 O ATOM 270 CB ALA A 32 61.901 39.637-117.591 1.00 0.42 C ATOM 0 H ALA A 32 59.629 40.516-118.252 1.00 0.41 H new ATOM 0 HA ALA A 32 60.479 38.638-116.331 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.766 39.190-117.101 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.638 39.049-118.470 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.143 40.655-117.895 1.00 0.42 H new ATOM 276 N GLN A 33 61.447 41.727-115.554 1.00 0.43 N ATOM 277 CA GLN A 33 61.807 42.526-114.358 1.00 0.47 C ATOM 278 C GLN A 33 60.754 42.271-113.288 1.00 0.49 C ATOM 279 O GLN A 33 61.050 42.187-112.113 1.00 0.53 O ATOM 280 CB GLN A 33 61.849 44.011-114.723 1.00 0.51 C ATOM 281 CG GLN A 33 63.006 44.264-115.696 1.00 0.53 C ATOM 282 CD GLN A 33 62.891 45.679-116.267 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.876 46.382-116.380 1.00 1.17 O ATOM 284 NE2 GLN A 33 61.723 46.128-116.634 1.00 1.23 N ATOM 0 H GLN A 33 61.498 42.216-116.448 1.00 0.43 H new ATOM 0 HA GLN A 33 62.791 42.239-113.986 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.905 44.312-115.177 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.977 44.614-113.824 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.960 44.144-115.183 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.984 43.532-116.503 1.00 0.53 H new ATOM 0 HE21 GLN A 33 60.897 45.538-116.539 1.00 1.23 H new ATOM 0 HE22 GLN A 33 61.636 47.070-117.016 1.00 1.23 H new ATOM 293 N ARG A 34 59.522 42.120-113.692 1.00 0.49 N ATOM 294 CA ARG A 34 58.451 41.842-112.702 1.00 0.52 C ATOM 295 C ARG A 34 58.784 40.535-111.996 1.00 0.52 C ATOM 296 O ARG A 34 58.606 40.399-110.801 1.00 0.55 O ATOM 297 CB ARG A 34 57.109 41.712-113.419 1.00 0.56 C ATOM 298 CG ARG A 34 56.188 42.863-113.005 1.00 0.67 C ATOM 299 CD ARG A 34 54.738 42.505-113.335 1.00 1.59 C ATOM 300 NE ARG A 34 53.916 42.487-112.084 1.00 1.96 N ATOM 301 CZ ARG A 34 54.372 41.939-110.988 1.00 2.81 C ATOM 302 NH1 ARG A 34 55.540 41.357-110.979 1.00 3.42 N ATOM 303 NH2 ARG A 34 53.650 41.963-109.902 1.00 3.58 N ATOM 0 H ARG A 34 59.214 42.177-114.663 1.00 0.49 H new ATOM 0 HA ARG A 34 58.385 42.655-111.979 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.260 41.725-114.498 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.646 40.756-113.173 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.291 43.058-111.938 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.475 43.777-113.525 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.328 43.229-114.039 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.697 41.530-113.820 1.00 1.59 H new ATOM 0 HE ARG A 34 52.987 42.908-112.087 1.00 1.96 H new ATOM 0 HH11 ARG A 34 56.102 41.328-111.830 1.00 3.42 H new ATOM 0 HH12 ARG A 34 55.891 40.931-110.121 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.732 42.408-109.909 1.00 3.58 H new ATOM 0 HH22 ARG A 34 54.003 41.536-109.045 1.00 3.58 H new ATOM 317 N LEU A 35 59.310 39.585-112.717 1.00 0.50 N ATOM 318 CA LEU A 35 59.700 38.307-112.070 1.00 0.54 C ATOM 319 C LEU A 35 60.961 38.592-111.265 1.00 0.55 C ATOM 320 O LEU A 35 61.388 37.815-110.433 1.00 0.61 O ATOM 321 CB LEU A 35 59.986 37.245-113.135 1.00 0.57 C ATOM 322 CG LEU A 35 58.686 36.534-113.511 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.865 37.427-114.443 1.00 1.20 C ATOM 324 CD2 LEU A 35 59.013 35.219-114.223 1.00 0.84 C ATOM 0 H LEU A 35 59.485 39.639-113.720 1.00 0.50 H new ATOM 0 HA LEU A 35 58.902 37.931-111.430 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.427 37.709-114.017 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.711 36.524-112.758 1.00 0.57 H new ATOM 0 HG LEU A 35 58.111 36.327-112.608 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.938 36.919-114.711 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.632 38.364-113.937 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.439 37.635-115.346 1.00 1.20 H new ATOM 0 HD21 LEU A 35 58.087 34.711-114.492 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.588 35.427-115.125 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.597 34.582-113.559 1.00 0.84 H new ATOM 336 N HIS A 36 61.542 39.734-111.511 1.00 0.53 N ATOM 337 CA HIS A 36 62.773 40.147-110.771 1.00 0.58 C ATOM 338 C HIS A 36 63.921 39.162-111.015 1.00 0.49 C ATOM 339 O HIS A 36 64.409 38.520-110.106 1.00 1.37 O ATOM 340 CB HIS A 36 62.471 40.213-109.273 1.00 0.98 C ATOM 341 CG HIS A 36 61.930 41.574-108.929 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.575 42.421-108.042 1.00 1.89 N ATOM 343 CD2 HIS A 36 60.809 42.248-109.344 1.00 1.60 C ATOM 344 CE1 HIS A 36 61.843 43.548-107.953 1.00 2.32 C ATOM 345 NE2 HIS A 36 60.756 43.494-108.725 1.00 2.17 N ATOM 0 H HIS A 36 61.213 40.409-112.202 1.00 0.53 H new ATOM 0 HA HIS A 36 63.078 41.128-111.135 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.748 39.444-109.003 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.377 40.014-108.700 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.079 41.870-110.044 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.104 44.392-107.332 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.040 44.212-108.838 1.00 2.17 H new ATOM 353 N LEU A 37 64.337 39.028-112.239 1.00 0.59 N ATOM 354 CA LEU A 37 65.436 38.066-112.532 1.00 0.43 C ATOM 355 C LEU A 37 66.772 38.782-112.305 1.00 0.44 C ATOM 356 O LEU A 37 66.995 39.857-112.825 1.00 0.42 O ATOM 357 CB LEU A 37 65.392 37.617-113.993 1.00 0.53 C ATOM 358 CG LEU A 37 63.966 37.258-114.406 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.294 38.486-115.026 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.017 36.136-115.444 1.00 0.82 C ATOM 0 H LEU A 37 63.970 39.536-113.044 1.00 0.59 H new ATOM 0 HA LEU A 37 65.324 37.197-111.884 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.772 38.412-114.634 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.044 36.755-114.133 1.00 0.53 H new ATOM 0 HG LEU A 37 63.400 36.932-113.534 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.276 38.233-115.322 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.269 39.295-114.296 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.858 38.806-115.902 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.003 35.873-115.745 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.579 36.472-116.316 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.506 35.263-115.012 1.00 0.82 H new ATOM 372 N PRO A 38 67.657 38.201-111.529 1.00 0.57 N ATOM 373 CA PRO A 38 68.971 38.835-111.255 1.00 0.66 C ATOM 374 C PRO A 38 69.610 39.347-112.535 1.00 0.58 C ATOM 375 O PRO A 38 69.293 38.886-113.603 1.00 0.52 O ATOM 376 CB PRO A 38 69.777 37.675-110.671 1.00 0.81 C ATOM 377 CG PRO A 38 68.797 36.558-110.283 1.00 0.82 C ATOM 378 CD PRO A 38 67.422 36.881-110.886 1.00 0.69 C ATOM 0 HA PRO A 38 68.907 39.702-110.597 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.501 37.310-111.400 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.342 38.005-109.799 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.155 35.596-110.651 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.725 36.478-109.198 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.108 36.127-111.608 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.646 36.934-110.123 1.00 0.69 H new ATOM 386 N PRO A 39 70.505 40.281-112.440 1.00 0.62 N ATOM 387 CA PRO A 39 71.168 40.814-113.650 1.00 0.60 C ATOM 388 C PRO A 39 71.715 39.684-114.522 1.00 0.53 C ATOM 389 O PRO A 39 71.475 39.624-115.698 1.00 0.51 O ATOM 390 CB PRO A 39 72.297 41.662-113.061 1.00 0.74 C ATOM 391 CG PRO A 39 72.109 41.743-111.537 1.00 0.81 C ATOM 392 CD PRO A 39 70.921 40.861-111.139 1.00 0.74 C ATOM 0 HA PRO A 39 70.500 41.376-114.302 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.265 41.221-113.299 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.286 42.661-113.497 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.013 41.411-111.027 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.932 42.775-111.233 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.209 40.090-110.424 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.121 41.441-110.678 1.00 0.74 H new ATOM 400 N VAL A 40 72.487 38.821-113.941 1.00 0.52 N ATOM 401 CA VAL A 40 73.110 37.702-114.703 1.00 0.47 C ATOM 402 C VAL A 40 72.050 36.937-115.496 1.00 0.41 C ATOM 403 O VAL A 40 72.128 36.797-116.710 1.00 0.37 O ATOM 404 CB VAL A 40 73.789 36.752-113.708 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.773 35.750-113.156 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.923 36.001-114.407 1.00 0.50 C ATOM 0 H VAL A 40 72.721 38.840-112.948 1.00 0.52 H new ATOM 0 HA VAL A 40 73.841 38.105-115.404 1.00 0.47 H new ATOM 0 HB VAL A 40 74.194 37.336-112.882 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.267 35.082-112.451 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.972 36.287-112.647 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.354 35.167-113.976 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.404 35.327-113.698 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.519 35.425-115.239 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.656 36.716-114.782 1.00 0.50 H new ATOM 416 N ARG A 41 71.050 36.456-114.827 1.00 0.42 N ATOM 417 CA ARG A 41 69.980 35.706-115.534 1.00 0.40 C ATOM 418 C ARG A 41 69.155 36.694-116.339 1.00 0.34 C ATOM 419 O ARG A 41 68.495 36.341-117.302 1.00 0.30 O ATOM 420 CB ARG A 41 69.085 34.999-114.514 1.00 0.46 C ATOM 421 CG ARG A 41 67.972 34.248-115.246 1.00 0.87 C ATOM 422 CD ARG A 41 67.213 33.364-114.254 1.00 1.00 C ATOM 423 NE ARG A 41 68.175 32.474-113.545 1.00 1.53 N ATOM 424 CZ ARG A 41 67.809 31.854-112.455 1.00 2.18 C ATOM 425 NH1 ARG A 41 66.602 32.016-111.987 1.00 2.54 N ATOM 426 NH2 ARG A 41 68.649 31.072-111.835 1.00 3.12 N ATOM 0 H ARG A 41 70.924 36.548-113.819 1.00 0.42 H new ATOM 0 HA ARG A 41 70.420 34.958-116.194 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.675 34.304-113.916 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.655 35.726-113.825 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.289 34.956-115.715 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.395 33.637-116.044 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.676 33.983-113.535 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.468 32.767-114.779 1.00 1.00 H new ATOM 0 HE ARG A 41 69.119 32.349-113.911 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.945 32.627-112.472 1.00 2.54 H new ATOM 0 HH12 ARG A 41 66.316 31.532-111.136 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.592 30.944-112.201 1.00 3.12 H new ATOM 0 HH22 ARG A 41 68.362 30.588-110.984 1.00 3.12 H new ATOM 440 N LEU A 42 69.196 37.938-115.962 1.00 0.35 N ATOM 441 CA LEU A 42 68.419 38.949-116.716 1.00 0.30 C ATOM 442 C LEU A 42 69.229 39.365-117.934 1.00 0.31 C ATOM 443 O LEU A 42 68.689 39.823-118.911 1.00 0.49 O ATOM 444 CB LEU A 42 68.092 40.156-115.839 1.00 0.32 C ATOM 445 CG LEU A 42 66.909 40.914-116.454 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.598 40.192-116.154 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.841 42.322-115.857 1.00 0.60 C ATOM 0 H LEU A 42 69.730 38.295-115.170 1.00 0.35 H new ATOM 0 HA LEU A 42 67.469 38.519-117.034 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.846 39.831-114.828 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.960 40.811-115.761 1.00 0.32 H new ATOM 0 HG LEU A 42 67.053 40.966-117.533 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.769 40.744-116.598 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.632 39.187-116.575 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.456 40.129-115.075 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.001 42.862-116.293 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.707 42.253-114.777 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.767 42.855-116.075 1.00 0.60 H new ATOM 459 N ALA A 43 70.519 39.159-117.913 1.00 0.30 N ATOM 460 CA ALA A 43 71.337 39.482-119.103 1.00 0.30 C ATOM 461 C ALA A 43 71.097 38.326-120.052 1.00 0.29 C ATOM 462 O ALA A 43 71.076 38.461-121.250 1.00 0.28 O ATOM 463 CB ALA A 43 72.817 39.556-118.720 1.00 0.36 C ATOM 0 H ALA A 43 71.036 38.780-117.119 1.00 0.30 H new ATOM 0 HA ALA A 43 71.074 40.443-119.544 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.410 39.794-119.603 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.960 40.331-117.967 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.137 38.595-118.317 1.00 0.36 H new ATOM 469 N GLU A 44 70.894 37.176-119.485 1.00 0.30 N ATOM 470 CA GLU A 44 70.609 36.003-120.342 1.00 0.32 C ATOM 471 C GLU A 44 69.283 36.294-121.061 1.00 0.30 C ATOM 472 O GLU A 44 69.231 36.401-122.270 1.00 0.34 O ATOM 473 CB GLU A 44 70.485 34.741-119.483 1.00 0.37 C ATOM 474 CG GLU A 44 70.494 33.505-120.384 1.00 1.15 C ATOM 475 CD GLU A 44 69.665 32.393-119.738 1.00 2.05 C ATOM 476 OE1 GLU A 44 69.198 32.598-118.628 1.00 2.80 O ATOM 477 OE2 GLU A 44 69.510 31.357-120.362 1.00 2.92 O ATOM 0 H GLU A 44 70.913 36.999-118.481 1.00 0.30 H new ATOM 0 HA GLU A 44 71.412 35.834-121.060 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.309 34.691-118.771 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.563 34.773-118.902 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.086 33.754-121.364 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.517 33.165-120.542 1.00 1.15 H new ATOM 484 N LEU A 45 68.211 36.413-120.321 1.00 0.28 N ATOM 485 CA LEU A 45 66.875 36.687-120.951 1.00 0.29 C ATOM 486 C LEU A 45 66.847 38.080-121.609 1.00 0.24 C ATOM 487 O LEU A 45 66.191 38.284-122.611 1.00 0.25 O ATOM 488 CB LEU A 45 65.789 36.624-119.875 1.00 0.34 C ATOM 489 CG LEU A 45 64.416 36.849-120.515 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.804 35.501-120.897 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.500 37.559-119.517 1.00 0.77 C ATOM 0 H LEU A 45 68.199 36.333-119.304 1.00 0.28 H new ATOM 0 HA LEU A 45 66.697 35.935-121.720 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.814 35.656-119.375 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.974 37.381-119.113 1.00 0.34 H new ATOM 0 HG LEU A 45 64.528 37.463-121.408 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.827 35.661-121.352 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.457 34.993-121.607 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.692 34.886-120.004 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.522 37.720-119.971 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.389 36.944-118.624 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.935 38.520-119.243 1.00 0.77 H new ATOM 503 N HIS A 46 67.562 39.027-121.070 1.00 0.21 N ATOM 504 CA HIS A 46 67.579 40.389-121.688 1.00 0.20 C ATOM 505 C HIS A 46 68.429 40.332-122.958 1.00 0.19 C ATOM 506 O HIS A 46 68.021 40.763-124.018 1.00 0.21 O ATOM 507 CB HIS A 46 68.186 41.403-120.712 1.00 0.23 C ATOM 508 CG HIS A 46 68.149 42.778-121.323 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.279 43.379-121.855 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.131 43.686-121.485 1.00 0.27 C ATOM 511 CE1 HIS A 46 68.919 44.593-122.306 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.620 44.832-122.105 1.00 0.31 N ATOM 0 H HIS A 46 68.134 38.921-120.232 1.00 0.21 H new ATOM 0 HA HIS A 46 66.561 40.699-121.926 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.632 41.396-119.774 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.214 41.126-120.477 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.107 43.534-121.178 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.598 45.291-122.774 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.099 45.673-122.353 1.00 0.31 H new ATOM 520 N ALA A 47 69.604 39.787-122.846 1.00 0.19 N ATOM 521 CA ALA A 47 70.507 39.666-124.023 1.00 0.22 C ATOM 522 C ALA A 47 69.778 38.911-125.128 1.00 0.21 C ATOM 523 O ALA A 47 69.584 39.413-126.217 1.00 0.22 O ATOM 524 CB ALA A 47 71.761 38.883-123.619 1.00 0.27 C ATOM 0 H ALA A 47 69.984 39.414-121.976 1.00 0.19 H new ATOM 0 HA ALA A 47 70.793 40.657-124.376 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.426 38.792-124.478 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.276 39.410-122.816 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.474 37.889-123.275 1.00 0.27 H new ATOM 530 N ASP A 48 69.354 37.713-124.849 1.00 0.22 N ATOM 531 CA ASP A 48 68.617 36.939-125.880 1.00 0.25 C ATOM 532 C ASP A 48 67.454 37.799-126.361 1.00 0.22 C ATOM 533 O ASP A 48 67.253 37.995-127.542 1.00 0.25 O ATOM 534 CB ASP A 48 68.086 35.639-125.273 1.00 0.28 C ATOM 535 CG ASP A 48 69.257 34.794-124.767 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.384 35.240-124.901 1.00 0.94 O ATOM 537 OD2 ASP A 48 69.006 33.716-124.255 1.00 0.84 O ATOM 0 H ASP A 48 69.485 37.238-123.956 1.00 0.22 H new ATOM 0 HA ASP A 48 69.275 36.686-126.711 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.403 35.861-124.453 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.518 35.083-126.019 1.00 0.28 H new ATOM 542 N LEU A 49 66.696 38.328-125.442 1.00 0.19 N ATOM 543 CA LEU A 49 65.556 39.193-125.840 1.00 0.19 C ATOM 544 C LEU A 49 66.074 40.243-126.822 1.00 0.18 C ATOM 545 O LEU A 49 65.416 40.578-127.787 1.00 0.19 O ATOM 546 CB LEU A 49 64.956 39.869-124.606 1.00 0.18 C ATOM 547 CG LEU A 49 63.874 38.963-124.013 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.242 39.644-122.799 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.794 38.699-125.067 1.00 0.89 C ATOM 0 H LEU A 49 66.817 38.199-124.438 1.00 0.19 H new ATOM 0 HA LEU A 49 64.776 38.596-126.312 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.734 40.059-123.866 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.530 40.835-124.877 1.00 0.18 H new ATOM 0 HG LEU A 49 64.323 38.019-123.706 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.472 38.997-122.379 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.008 39.832-122.047 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.794 40.590-123.104 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.024 38.054-124.645 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.347 39.644-125.375 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.242 38.211-125.932 1.00 0.89 H new ATOM 561 N LYS A 50 67.266 40.744-126.610 1.00 0.20 N ATOM 562 CA LYS A 50 67.823 41.740-127.566 1.00 0.21 C ATOM 563 C LYS A 50 68.059 41.015-128.888 1.00 0.23 C ATOM 564 O LYS A 50 67.545 41.385-129.920 1.00 0.24 O ATOM 565 CB LYS A 50 69.154 42.291-127.043 1.00 0.24 C ATOM 566 CG LYS A 50 68.913 43.120-125.779 1.00 0.36 C ATOM 567 CD LYS A 50 70.218 43.244-124.987 1.00 0.84 C ATOM 568 CE LYS A 50 70.740 44.679-125.086 1.00 1.09 C ATOM 569 NZ LYS A 50 71.300 44.910-126.448 1.00 1.84 N ATOM 0 H LYS A 50 67.870 40.507-125.823 1.00 0.20 H new ATOM 0 HA LYS A 50 67.133 42.574-127.691 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.837 41.470-126.825 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.628 42.906-127.807 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.543 44.110-126.047 1.00 0.36 H new ATOM 0 HG3 LYS A 50 68.146 42.649-125.164 1.00 0.36 H new ATOM 0 HD2 LYS A 50 70.049 42.978-123.943 1.00 0.84 H new ATOM 0 HD3 LYS A 50 70.960 42.548-125.377 1.00 0.84 H new ATOM 0 HE2 LYS A 50 69.934 45.385-124.888 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.507 44.851-124.331 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.655 45.885-126.517 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 72.080 44.244-126.620 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.556 44.762-127.159 1.00 1.84 H new ATOM 583 N ILE A 51 68.835 39.972-128.850 1.00 0.25 N ATOM 584 CA ILE A 51 69.090 39.224-130.107 1.00 0.27 C ATOM 585 C ILE A 51 67.742 39.100-130.813 1.00 0.26 C ATOM 586 O ILE A 51 67.548 39.598-131.916 1.00 0.25 O ATOM 587 CB ILE A 51 69.640 37.832-129.785 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.160 37.909-129.623 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.298 36.872-130.926 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.505 38.923-128.532 1.00 0.30 C ATOM 0 H ILE A 51 69.298 39.609-128.016 1.00 0.25 H new ATOM 0 HA ILE A 51 69.821 39.736-130.732 1.00 0.27 H new ATOM 0 HB ILE A 51 69.193 37.470-128.859 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.559 36.929-129.363 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.623 38.201-130.566 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.689 35.881-130.697 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.216 36.817-131.043 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.745 37.234-131.852 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.587 38.978-128.416 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.119 39.903-128.811 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.055 38.611-127.590 1.00 0.30 H new ATOM 602 N GLN A 52 66.787 38.478-130.177 1.00 0.26 N ATOM 603 CA GLN A 52 65.448 38.371-130.796 1.00 0.27 C ATOM 604 C GLN A 52 64.973 39.777-131.154 1.00 0.24 C ATOM 605 O GLN A 52 64.188 39.955-132.050 1.00 0.26 O ATOM 606 CB GLN A 52 64.473 37.733-129.805 1.00 0.32 C ATOM 607 CG GLN A 52 63.136 37.471-130.500 1.00 0.45 C ATOM 608 CD GLN A 52 63.166 36.092-131.161 1.00 0.62 C ATOM 609 OE1 GLN A 52 62.488 35.182-130.726 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.928 35.898-132.202 1.00 0.48 N ATOM 0 H GLN A 52 66.881 38.043-129.259 1.00 0.26 H new ATOM 0 HA GLN A 52 65.495 37.751-131.691 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.885 36.799-129.423 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.327 38.391-128.948 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.322 37.522-129.777 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.946 38.241-131.248 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.497 36.662-132.567 1.00 0.48 H new ATOM 0 HE22 GLN A 52 63.955 34.982-132.651 1.00 0.48 H new ATOM 619 N GLU A 53 65.434 40.780-130.448 1.00 0.23 N ATOM 620 CA GLU A 53 64.991 42.169-130.769 1.00 0.23 C ATOM 621 C GLU A 53 65.629 42.615-132.081 1.00 0.20 C ATOM 622 O GLU A 53 65.031 43.324-132.859 1.00 0.21 O ATOM 623 CB GLU A 53 65.406 43.146-129.673 1.00 0.25 C ATOM 624 CG GLU A 53 64.987 44.557-130.093 1.00 0.28 C ATOM 625 CD GLU A 53 66.212 45.478-130.088 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.304 44.977-130.297 1.00 1.04 O ATOM 627 OE2 GLU A 53 66.036 46.666-129.877 1.00 1.09 O ATOM 0 H GLU A 53 66.091 40.698-129.672 1.00 0.23 H new ATOM 0 HA GLU A 53 63.904 42.167-130.850 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.935 42.877-128.728 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.484 43.102-129.515 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.540 44.534-131.087 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.228 44.940-129.411 1.00 0.28 H new ATOM 634 N ARG A 54 66.840 42.214-132.342 1.00 0.22 N ATOM 635 CA ARG A 54 67.492 42.622-133.612 1.00 0.22 C ATOM 636 C ARG A 54 66.788 41.913-134.757 1.00 0.20 C ATOM 637 O ARG A 54 66.634 42.439-135.844 1.00 0.21 O ATOM 638 CB ARG A 54 68.956 42.194-133.586 1.00 0.24 C ATOM 639 CG ARG A 54 69.749 43.150-132.700 1.00 0.27 C ATOM 640 CD ARG A 54 70.613 44.061-133.573 1.00 0.85 C ATOM 641 NE ARG A 54 69.760 44.712-134.607 1.00 1.55 N ATOM 642 CZ ARG A 54 70.209 45.744-135.268 1.00 2.09 C ATOM 643 NH1 ARG A 54 71.404 46.206-135.024 1.00 2.40 N ATOM 644 NH2 ARG A 54 69.460 46.314-136.173 1.00 3.03 N ATOM 0 H ARG A 54 67.404 41.623-131.732 1.00 0.22 H new ATOM 0 HA ARG A 54 67.431 43.703-133.738 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.042 41.175-133.208 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.364 42.194-134.597 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.069 43.749-132.094 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.378 42.586-132.011 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.099 44.818-132.958 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.404 43.482-134.050 1.00 0.85 H new ATOM 0 HE ARG A 54 68.825 44.351-134.798 1.00 1.55 H new ATOM 0 HH11 ARG A 54 71.988 45.761-134.316 1.00 2.40 H new ATOM 0 HH12 ARG A 54 71.754 47.013-135.541 1.00 2.40 H new ATOM 0 HH21 ARG A 54 68.525 45.953-136.363 1.00 3.03 H new ATOM 0 HH22 ARG A 54 69.810 47.121-136.690 1.00 3.03 H new ATOM 658 N ASP A 55 66.333 40.725-134.500 1.00 0.20 N ATOM 659 CA ASP A 55 65.606 39.962-135.553 1.00 0.21 C ATOM 660 C ASP A 55 64.136 40.395-135.569 1.00 0.21 C ATOM 661 O ASP A 55 63.510 40.494-136.611 1.00 0.20 O ATOM 662 CB ASP A 55 65.694 38.464-135.252 1.00 0.25 C ATOM 663 CG ASP A 55 67.156 38.017-135.305 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.952 38.731-135.892 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.455 36.969-134.758 1.00 0.94 O ATOM 0 H ASP A 55 66.431 40.245-133.605 1.00 0.20 H new ATOM 0 HA ASP A 55 66.056 40.162-136.525 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.274 38.255-134.268 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.104 37.902-135.976 1.00 0.25 H new ATOM 670 N GLU A 56 63.590 40.696-134.423 1.00 0.27 N ATOM 671 CA GLU A 56 62.176 41.148-134.362 1.00 0.32 C ATOM 672 C GLU A 56 62.104 42.545-134.947 1.00 0.30 C ATOM 673 O GLU A 56 61.319 42.822-135.827 1.00 0.31 O ATOM 674 CB GLU A 56 61.697 41.167-132.909 1.00 0.39 C ATOM 675 CG GLU A 56 61.161 39.786-132.530 1.00 0.44 C ATOM 676 CD GLU A 56 59.745 39.618-133.083 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.503 40.078-134.187 1.00 1.39 O ATOM 678 OE2 GLU A 56 58.926 39.031-132.394 1.00 1.72 O ATOM 0 H GLU A 56 64.067 40.647-133.523 1.00 0.27 H new ATOM 0 HA GLU A 56 61.538 40.468-134.926 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.518 41.444-132.248 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.918 41.919-132.782 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.813 39.009-132.929 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.155 39.671-131.446 1.00 0.44 H new ATOM 685 N LEU A 57 62.950 43.423-134.499 1.00 0.30 N ATOM 686 CA LEU A 57 62.947 44.780-135.080 1.00 0.32 C ATOM 687 C LEU A 57 63.271 44.619-136.561 1.00 0.28 C ATOM 688 O LEU A 57 62.573 45.113-137.421 1.00 0.29 O ATOM 689 CB LEU A 57 64.010 45.647-134.402 1.00 0.36 C ATOM 690 CG LEU A 57 63.468 46.179-133.077 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.624 46.716-132.231 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.473 47.308-133.350 1.00 1.22 C ATOM 0 H LEU A 57 63.636 43.259-133.762 1.00 0.30 H new ATOM 0 HA LEU A 57 61.982 45.266-134.937 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.914 45.063-134.229 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.287 46.477-135.053 1.00 0.36 H new ATOM 0 HG LEU A 57 62.968 45.373-132.540 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.237 47.096-131.285 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.336 45.914-132.036 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.124 47.522-132.768 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.086 47.688-132.405 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.975 48.113-133.887 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.648 46.928-133.953 1.00 1.22 H new ATOM 704 N ALA A 58 64.306 43.879-136.871 1.00 0.25 N ATOM 705 CA ALA A 58 64.622 43.649-138.300 1.00 0.24 C ATOM 706 C ALA A 58 63.348 43.118-138.948 1.00 0.21 C ATOM 707 O ALA A 58 63.100 43.296-140.127 1.00 0.21 O ATOM 708 CB ALA A 58 65.743 42.615-138.430 1.00 0.24 C ATOM 0 H ALA A 58 64.934 43.433-136.202 1.00 0.25 H new ATOM 0 HA ALA A 58 64.957 44.568-138.781 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.968 42.453-139.484 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.635 42.979-137.920 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.425 41.675-137.978 1.00 0.24 H new ATOM 714 N TRP A 59 62.507 42.500-138.158 1.00 0.19 N ATOM 715 CA TRP A 59 61.229 42.005-138.722 1.00 0.18 C ATOM 716 C TRP A 59 60.293 43.192-138.927 1.00 0.20 C ATOM 717 O TRP A 59 59.878 43.474-140.035 1.00 0.30 O ATOM 718 CB TRP A 59 60.549 40.980-137.821 1.00 0.19 C ATOM 719 CG TRP A 59 59.352 40.487-138.564 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.368 39.508-139.498 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.976 40.955-138.482 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.096 39.357-140.008 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.198 40.219-139.406 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.334 41.934-137.705 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.829 40.449-139.554 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.957 42.167-137.850 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.206 41.425-138.773 1.00 0.39 C ATOM 0 H TRP A 59 62.652 42.322-137.164 1.00 0.19 H new ATOM 0 HA TRP A 59 61.452 41.509-139.667 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.226 40.158-137.589 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.258 41.431-136.872 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.236 38.938-139.795 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.848 38.691-140.740 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.903 42.511-136.992 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.256 39.876-140.268 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.474 42.922-137.247 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.147 41.608-138.880 1.00 0.39 H new ATOM 738 N LYS A 60 59.938 43.891-137.877 1.00 0.27 N ATOM 739 CA LYS A 60 59.018 45.040-138.074 1.00 0.30 C ATOM 740 C LYS A 60 59.483 45.776-139.324 1.00 0.29 C ATOM 741 O LYS A 60 58.691 46.282-140.101 1.00 0.31 O ATOM 742 CB LYS A 60 59.052 45.978-136.859 1.00 0.38 C ATOM 743 CG LYS A 60 60.213 46.967-136.987 1.00 0.42 C ATOM 744 CD LYS A 60 60.206 47.915-135.786 1.00 1.08 C ATOM 745 CE LYS A 60 59.295 49.108-136.081 1.00 1.53 C ATOM 746 NZ LYS A 60 59.397 50.098-134.973 1.00 2.27 N ATOM 0 H LYS A 60 60.239 43.718-136.918 1.00 0.27 H new ATOM 0 HA LYS A 60 57.991 44.692-138.186 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.110 46.520-136.783 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.160 45.396-135.944 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.160 46.429-137.035 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.122 47.535-137.913 1.00 0.42 H new ATOM 0 HD2 LYS A 60 59.858 47.389-134.897 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.218 48.260-135.576 1.00 1.08 H new ATOM 0 HE2 LYS A 60 59.581 49.572-137.025 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.263 48.773-136.190 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.778 50.909-135.174 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.104 49.651-134.080 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.380 50.426-134.890 1.00 2.27 H new ATOM 760 N LYS A 61 60.770 45.802-139.551 1.00 0.28 N ATOM 761 CA LYS A 61 61.291 46.468-140.768 1.00 0.30 C ATOM 762 C LYS A 61 61.082 45.537-141.961 1.00 0.27 C ATOM 763 O LYS A 61 60.880 45.986-143.072 1.00 0.35 O ATOM 764 CB LYS A 61 62.780 46.770-140.608 1.00 0.35 C ATOM 765 CG LYS A 61 63.029 47.409-139.240 1.00 0.40 C ATOM 766 CD LYS A 61 63.884 48.668-139.412 1.00 0.77 C ATOM 767 CE LYS A 61 63.007 49.813-139.923 1.00 1.42 C ATOM 768 NZ LYS A 61 63.875 50.933-140.385 1.00 2.43 N ATOM 0 H LYS A 61 61.478 45.390-138.943 1.00 0.28 H new ATOM 0 HA LYS A 61 60.761 47.407-140.926 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.360 45.852-140.703 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.113 47.441-141.400 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.080 47.663-138.767 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.533 46.701-138.582 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.342 48.942-138.462 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.696 48.476-140.114 1.00 0.77 H new ATOM 0 HE2 LYS A 61 62.376 49.465-140.741 1.00 1.42 H new ATOM 0 HE3 LYS A 61 62.341 50.157-139.132 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 63.280 51.712-140.733 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 64.458 51.270-139.593 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 64.493 50.600-141.153 1.00 2.43 H new ATOM 782 N LEU A 62 61.088 44.240-141.749 1.00 0.24 N ATOM 783 CA LEU A 62 60.843 43.312-142.888 1.00 0.24 C ATOM 784 C LEU A 62 59.416 43.532-143.366 1.00 0.24 C ATOM 785 O LEU A 62 59.168 43.932-144.486 1.00 0.26 O ATOM 786 CB LEU A 62 60.947 41.859-142.407 1.00 0.24 C ATOM 787 CG LEU A 62 62.396 41.373-142.441 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.591 40.289-141.378 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.697 40.777-143.815 1.00 0.41 C ATOM 0 H LEU A 62 61.250 43.794-140.846 1.00 0.24 H new ATOM 0 HA LEU A 62 61.572 43.497-143.677 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.557 41.779-141.392 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.330 41.219-143.037 1.00 0.24 H new ATOM 0 HG LEU A 62 63.065 42.211-142.245 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.623 39.940-141.399 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.367 40.700-140.394 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.921 39.454-141.583 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.730 40.429-143.843 1.00 0.41 H new ATOM 0 HD22 LEU A 62 62.027 39.938-144.003 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.550 41.538-144.582 1.00 0.41 H new ATOM 801 N LYS A 63 58.473 43.259-142.505 1.00 0.24 N ATOM 802 CA LYS A 63 57.049 43.433-142.876 1.00 0.26 C ATOM 803 C LYS A 63 56.817 44.876-143.320 1.00 0.29 C ATOM 804 O LYS A 63 56.008 45.141-144.187 1.00 0.30 O ATOM 805 CB LYS A 63 56.158 43.111-141.673 1.00 0.34 C ATOM 806 CG LYS A 63 56.550 43.991-140.485 1.00 0.46 C ATOM 807 CD LYS A 63 55.296 44.370-139.696 1.00 0.41 C ATOM 808 CE LYS A 63 54.686 45.646-140.279 1.00 0.58 C ATOM 809 NZ LYS A 63 55.044 45.756-141.721 1.00 1.20 N ATOM 0 H LYS A 63 58.634 42.921-141.556 1.00 0.24 H new ATOM 0 HA LYS A 63 56.800 42.756-143.693 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.112 43.276-141.930 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.258 42.059-141.406 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.251 43.460-139.841 1.00 0.46 H new ATOM 0 HG3 LYS A 63 57.057 44.890-140.836 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.570 43.558-139.736 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.547 44.522-138.646 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.602 45.629-140.163 1.00 0.58 H new ATOM 0 HE3 LYS A 63 55.051 46.517-139.735 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 54.672 46.649-142.104 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 56.079 45.739-141.824 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.631 44.957-142.243 1.00 1.20 H new ATOM 823 N LEU A 64 57.521 45.820-142.745 1.00 0.33 N ATOM 824 CA LEU A 64 57.337 47.238-143.154 1.00 0.43 C ATOM 825 C LEU A 64 57.846 47.435-144.580 1.00 0.52 C ATOM 826 O LEU A 64 57.166 47.986-145.424 1.00 0.75 O ATOM 827 CB LEU A 64 58.131 48.129-142.197 1.00 0.38 C ATOM 828 CG LEU A 64 57.267 48.479-140.984 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.116 49.217-139.948 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.110 49.378-141.427 1.00 1.23 C ATOM 0 H LEU A 64 58.213 45.666-142.012 1.00 0.33 H new ATOM 0 HA LEU A 64 56.280 47.500-143.118 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.037 47.616-141.875 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.444 49.040-142.708 1.00 0.38 H new ATOM 0 HG LEU A 64 56.871 47.564-140.544 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.500 49.466-139.084 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.942 48.579-139.633 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.512 50.132-140.388 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.493 49.629-140.564 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.508 50.293-141.867 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.504 48.854-142.166 1.00 1.23 H new ATOM 842 N ASP A 65 59.039 46.992-144.854 1.00 0.45 N ATOM 843 CA ASP A 65 59.598 47.155-146.225 1.00 0.60 C ATOM 844 C ASP A 65 58.962 46.128-147.163 1.00 0.96 C ATOM 845 O ASP A 65 59.149 46.173-148.364 1.00 0.98 O ATOM 846 CB ASP A 65 61.114 46.944-146.185 1.00 0.53 C ATOM 847 CG ASP A 65 61.805 48.268-145.855 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.104 49.249-145.668 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.023 48.279-145.797 1.00 1.31 O ATOM 0 H ASP A 65 59.653 46.523-144.188 1.00 0.45 H new ATOM 0 HA ASP A 65 59.381 48.159-146.589 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.368 46.193-145.437 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.465 46.568-147.146 1.00 0.53 H new ATOM 854 N GLY A 66 58.206 45.206-146.632 1.00 1.30 N ATOM 855 CA GLY A 66 57.555 44.185-147.501 1.00 1.72 C ATOM 856 C GLY A 66 58.560 43.096-147.876 1.00 0.91 C ATOM 857 O GLY A 66 58.795 42.832-149.039 1.00 1.14 O ATOM 0 H GLY A 66 58.011 45.116-145.635 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.705 43.743-146.981 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.166 44.658-148.403 1.00 1.72 H new ATOM 861 N LEU A 67 59.152 42.450-146.906 1.00 0.37 N ATOM 862 CA LEU A 67 60.131 41.374-147.226 1.00 1.03 C ATOM 863 C LEU A 67 59.481 40.013-146.978 1.00 0.91 C ATOM 864 O LEU A 67 59.586 39.112-147.787 1.00 1.09 O ATOM 865 CB LEU A 67 61.374 41.535-146.352 1.00 1.69 C ATOM 866 CG LEU A 67 62.326 42.549-146.998 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.418 43.798-146.120 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.718 41.926-147.145 1.00 2.68 C ATOM 0 H LEU A 67 59.000 42.621-145.912 1.00 0.37 H new ATOM 0 HA LEU A 67 60.428 41.443-148.273 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.089 41.871-145.355 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.875 40.574-146.233 1.00 1.69 H new ATOM 0 HG LEU A 67 61.945 42.824-147.982 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.095 44.517-146.581 1.00 2.52 H new ATOM 0 HD12 LEU A 67 61.429 44.244-146.018 1.00 2.52 H new ATOM 0 HD13 LEU A 67 62.796 43.523-145.135 1.00 2.52 H new ATOM 0 HD21 LEU A 67 64.393 42.648-147.604 1.00 2.68 H new ATOM 0 HD22 LEU A 67 64.098 41.648-146.162 1.00 2.68 H new ATOM 0 HD23 LEU A 67 63.655 41.038-147.774 1.00 2.68 H new ATOM 880 N ASP A 68 58.740 39.877-145.913 1.00 0.69 N ATOM 881 CA ASP A 68 57.996 38.614-145.651 1.00 0.59 C ATOM 882 C ASP A 68 56.526 38.970-145.829 1.00 0.59 C ATOM 883 O ASP A 68 55.979 39.684-145.013 1.00 0.59 O ATOM 884 CB ASP A 68 58.243 38.152-144.208 1.00 0.53 C ATOM 885 CG ASP A 68 57.938 36.658-144.097 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.568 36.072-145.102 1.00 0.97 O ATOM 887 OD2 ASP A 68 58.078 36.124-143.010 1.00 1.19 O ATOM 0 H ASP A 68 58.617 40.599-145.203 1.00 0.69 H new ATOM 0 HA ASP A 68 58.310 37.810-146.317 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.277 38.346-143.924 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.612 38.716-143.520 1.00 0.53 H new ATOM 892 N GLU A 69 55.860 38.559-146.873 1.00 0.63 N ATOM 893 CA GLU A 69 54.447 38.990-147.016 1.00 0.69 C ATOM 894 C GLU A 69 53.503 38.102-146.210 1.00 0.71 C ATOM 895 O GLU A 69 52.314 38.355-146.176 1.00 0.77 O ATOM 896 CB GLU A 69 54.052 38.931-148.492 1.00 0.73 C ATOM 897 CG GLU A 69 54.307 37.524-149.035 1.00 0.75 C ATOM 898 CD GLU A 69 54.038 37.500-150.541 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.502 38.476-151.042 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.372 36.508-151.167 1.00 1.82 O ATOM 0 H GLU A 69 56.223 37.959-147.614 1.00 0.63 H new ATOM 0 HA GLU A 69 54.363 40.008-146.635 1.00 0.69 H new ATOM 0 HB2 GLU A 69 53.000 39.192-148.608 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.626 39.661-149.062 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.336 37.226-148.834 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.663 36.805-148.529 1.00 0.75 H new ATOM 907 N ASP A 70 53.973 37.080-145.544 1.00 0.72 N ATOM 908 CA ASP A 70 53.030 36.242-144.751 1.00 0.78 C ATOM 909 C ASP A 70 53.473 36.295-143.290 1.00 0.69 C ATOM 910 O ASP A 70 52.930 35.629-142.430 1.00 0.84 O ATOM 911 CB ASP A 70 53.075 34.797-145.253 1.00 0.83 C ATOM 912 CG ASP A 70 52.925 34.780-146.775 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.052 35.472-147.273 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.686 34.076-147.417 1.00 1.34 O ATOM 0 H ASP A 70 54.952 36.794-145.515 1.00 0.72 H new ATOM 0 HA ASP A 70 52.011 36.614-144.854 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.017 34.330-144.965 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.277 34.216-144.792 1.00 0.83 H new ATOM 919 N GLY A 71 54.450 37.112-143.014 1.00 0.50 N ATOM 920 CA GLY A 71 54.949 37.264-141.619 1.00 0.43 C ATOM 921 C GLY A 71 55.574 35.962-141.103 1.00 0.34 C ATOM 922 O GLY A 71 55.596 35.722-139.912 1.00 0.31 O ATOM 0 H GLY A 71 54.930 37.689-143.705 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.688 38.064-141.581 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.127 37.558-140.967 1.00 0.43 H new ATOM 926 N GLU A 72 56.101 35.121-141.957 1.00 0.36 N ATOM 927 CA GLU A 72 56.721 33.872-141.426 1.00 0.34 C ATOM 928 C GLU A 72 57.964 34.273-140.633 1.00 0.30 C ATOM 929 O GLU A 72 58.136 33.903-139.490 1.00 0.30 O ATOM 930 CB GLU A 72 57.121 32.959-142.587 1.00 0.40 C ATOM 931 CG GLU A 72 55.944 32.055-142.957 1.00 1.23 C ATOM 932 CD GLU A 72 56.377 31.070-144.044 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.495 31.194-144.516 1.00 2.68 O ATOM 934 OE2 GLU A 72 55.584 30.209-144.386 1.00 2.64 O ATOM 0 H GLU A 72 56.129 35.240-142.970 1.00 0.36 H new ATOM 0 HA GLU A 72 56.017 33.335-140.790 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.418 33.558-143.448 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.983 32.354-142.307 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.598 31.513-142.077 1.00 1.23 H new ATOM 0 HG3 GLU A 72 55.107 32.657-143.310 1.00 1.23 H new ATOM 941 N LYS A 73 58.830 35.039-141.235 1.00 0.31 N ATOM 942 CA LYS A 73 60.053 35.473-140.506 1.00 0.33 C ATOM 943 C LYS A 73 59.605 35.938-139.122 1.00 0.29 C ATOM 944 O LYS A 73 60.325 35.844-138.138 1.00 0.29 O ATOM 945 CB LYS A 73 60.720 36.628-141.258 1.00 0.38 C ATOM 946 CG LYS A 73 61.103 36.170-142.669 1.00 0.55 C ATOM 947 CD LYS A 73 61.935 37.256-143.353 1.00 1.07 C ATOM 948 CE LYS A 73 63.411 37.067-143.000 1.00 1.38 C ATOM 949 NZ LYS A 73 64.245 37.961-143.851 1.00 2.36 N ATOM 0 H LYS A 73 58.745 35.381-142.192 1.00 0.31 H new ATOM 0 HA LYS A 73 60.774 34.659-140.427 1.00 0.33 H new ATOM 0 HB2 LYS A 73 60.042 37.479-141.313 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.607 36.961-140.720 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.670 35.241-142.619 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.205 35.965-143.252 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.799 37.206-144.433 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.597 38.242-143.034 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.576 37.293-141.946 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.702 36.028-143.152 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.983 37.401-144.324 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.645 38.418-144.567 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 64.691 38.689-143.257 1.00 2.36 H new ATOM 963 N GLU A 74 58.369 36.348-139.032 1.00 0.28 N ATOM 964 CA GLU A 74 57.800 36.741-137.720 1.00 0.28 C ATOM 965 C GLU A 74 57.455 35.436-137.021 1.00 0.26 C ATOM 966 O GLU A 74 57.616 35.273-135.845 1.00 0.27 O ATOM 967 CB GLU A 74 56.527 37.555-137.935 1.00 0.31 C ATOM 968 CG GLU A 74 56.299 38.456-136.727 1.00 0.37 C ATOM 969 CD GLU A 74 54.810 38.476-136.373 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.157 37.468-136.585 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.349 39.500-135.896 1.00 1.11 O ATOM 0 H GLU A 74 57.727 36.427-139.821 1.00 0.28 H new ATOM 0 HA GLU A 74 58.495 37.347-137.139 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.614 38.155-138.841 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.675 36.890-138.074 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.880 38.096-135.878 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.645 39.467-136.944 1.00 0.37 H new ATOM 978 N ALA A 75 56.991 34.510-137.796 1.00 0.25 N ATOM 979 CA ALA A 75 56.651 33.181-137.233 1.00 0.27 C ATOM 980 C ALA A 75 57.913 32.665-136.569 1.00 0.26 C ATOM 981 O ALA A 75 57.970 32.519-135.368 1.00 0.27 O ATOM 982 CB ALA A 75 56.197 32.226-138.339 1.00 0.30 C ATOM 0 H ALA A 75 56.831 34.613-138.798 1.00 0.25 H new ATOM 0 HA ALA A 75 55.830 33.254-136.520 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.952 31.257-137.905 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.316 32.635-138.834 1.00 0.30 H new ATOM 0 HB3 ALA A 75 56.999 32.105-139.067 1.00 0.30 H new ATOM 988 N ARG A 76 58.929 32.387-137.325 1.00 0.28 N ATOM 989 CA ARG A 76 60.177 31.884-136.697 1.00 0.31 C ATOM 990 C ARG A 76 60.490 32.748-135.480 1.00 0.28 C ATOM 991 O ARG A 76 60.751 32.250-134.403 1.00 0.30 O ATOM 992 CB ARG A 76 61.330 31.961-137.700 1.00 0.35 C ATOM 993 CG ARG A 76 61.107 30.937-138.815 1.00 0.66 C ATOM 994 CD ARG A 76 62.381 30.806-139.652 1.00 1.00 C ATOM 995 NE ARG A 76 62.890 32.163-139.997 1.00 1.51 N ATOM 996 CZ ARG A 76 64.107 32.308-140.448 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.876 31.265-140.596 1.00 2.34 N ATOM 998 NH2 ARG A 76 64.553 33.497-140.749 1.00 3.14 N ATOM 0 H ARG A 76 58.953 32.484-138.340 1.00 0.28 H new ATOM 0 HA ARG A 76 60.048 30.845-136.392 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.393 32.964-138.121 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.277 31.766-137.197 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.840 29.971-138.387 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.275 31.247-139.447 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.138 30.252-139.097 1.00 1.00 H new ATOM 0 HD3 ARG A 76 62.175 30.241-140.561 1.00 1.00 H new ATOM 0 HE ARG A 76 62.288 32.978-139.881 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.527 30.336-140.360 1.00 2.34 H new ATOM 0 HH12 ARG A 76 65.827 31.378-140.948 1.00 2.34 H new ATOM 0 HH21 ARG A 76 63.951 34.312-140.632 1.00 3.14 H new ATOM 0 HH22 ARG A 76 65.503 33.611-141.101 1.00 3.14 H new ATOM 1012 N LEU A 77 60.467 34.041-135.639 1.00 0.30 N ATOM 1013 CA LEU A 77 60.768 34.925-134.476 1.00 0.31 C ATOM 1014 C LEU A 77 59.832 34.579-133.314 1.00 0.29 C ATOM 1015 O LEU A 77 60.265 34.220-132.238 1.00 0.30 O ATOM 1016 CB LEU A 77 60.574 36.385-134.882 1.00 0.35 C ATOM 1017 CG LEU A 77 61.838 36.878-135.584 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.501 38.090-136.450 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.884 37.272-134.538 1.00 0.38 C ATOM 0 H LEU A 77 60.255 34.522-136.513 1.00 0.30 H new ATOM 0 HA LEU A 77 61.801 34.774-134.161 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.714 36.480-135.545 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.369 36.996-134.003 1.00 0.35 H new ATOM 0 HG LEU A 77 62.237 36.082-136.213 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.403 38.442-136.951 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.758 37.809-137.196 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.101 38.886-135.822 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.786 37.624-135.040 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.486 38.067-133.907 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.126 36.406-133.921 1.00 0.38 H new ATOM 1031 N ILE A 78 58.554 34.679-133.531 1.00 0.29 N ATOM 1032 CA ILE A 78 57.569 34.354-132.461 1.00 0.32 C ATOM 1033 C ILE A 78 57.896 32.988-131.879 1.00 0.30 C ATOM 1034 O ILE A 78 57.917 32.799-130.687 1.00 0.32 O ATOM 1035 CB ILE A 78 56.169 34.321-133.059 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.792 35.733-133.486 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.174 33.817-132.012 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.894 35.664-134.715 1.00 0.37 C ATOM 0 H ILE A 78 58.142 34.976-134.416 1.00 0.29 H new ATOM 0 HA ILE A 78 57.616 35.110-131.677 1.00 0.32 H new ATOM 0 HB ILE A 78 56.146 33.652-133.919 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.277 36.246-132.674 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.690 36.310-133.709 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.173 33.794-132.443 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.456 32.813-131.696 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.183 34.484-131.150 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.622 36.673-135.024 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.426 35.167-135.527 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.991 35.102-134.475 1.00 0.37 H new ATOM 1050 N ARG A 79 58.177 32.043-132.723 1.00 0.29 N ATOM 1051 CA ARG A 79 58.539 30.686-132.212 1.00 0.32 C ATOM 1052 C ARG A 79 59.839 30.807-131.410 1.00 0.26 C ATOM 1053 O ARG A 79 60.084 30.055-130.488 1.00 0.26 O ATOM 1054 CB ARG A 79 58.738 29.727-133.388 1.00 0.38 C ATOM 1055 CG ARG A 79 59.723 28.626-132.990 1.00 0.39 C ATOM 1056 CD ARG A 79 59.747 27.548-134.075 1.00 0.39 C ATOM 1057 NE ARG A 79 59.649 26.197-133.445 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.309 25.924-132.351 1.00 2.14 C ATOM 1059 NH1 ARG A 79 61.111 26.810-131.828 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.179 24.754-131.789 1.00 3.27 N ATOM 0 H ARG A 79 58.174 32.143-133.738 1.00 0.29 H new ATOM 0 HA ARG A 79 57.743 30.296-131.577 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.783 29.288-133.678 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.115 30.271-134.254 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.720 29.046-132.857 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.431 28.190-132.035 1.00 0.39 H new ATOM 0 HD2 ARG A 79 58.919 27.698-134.768 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.666 27.623-134.656 1.00 0.39 H new ATOM 0 HE ARG A 79 59.062 25.481-133.873 1.00 1.50 H new ATOM 0 HH11 ARG A 79 61.225 27.721-132.273 1.00 2.28 H new ATOM 0 HH12 ARG A 79 61.624 26.592-130.974 1.00 2.28 H new ATOM 0 HH21 ARG A 79 59.563 24.055-132.204 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.693 24.539-130.935 1.00 3.27 H new ATOM 1074 N ASN A 80 60.665 31.767-131.742 1.00 0.23 N ATOM 1075 CA ASN A 80 61.937 31.957-130.986 1.00 0.21 C ATOM 1076 C ASN A 80 61.625 32.719-129.700 1.00 0.21 C ATOM 1077 O ASN A 80 62.334 32.623-128.717 1.00 0.22 O ATOM 1078 CB ASN A 80 62.929 32.758-131.833 1.00 0.23 C ATOM 1079 CG ASN A 80 63.723 31.805-132.727 1.00 0.30 C ATOM 1080 OD1 ASN A 80 64.646 32.215-133.403 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.401 30.540-132.761 1.00 1.15 N ATOM 0 H ASN A 80 60.512 32.427-132.505 1.00 0.23 H new ATOM 0 HA ASN A 80 62.379 30.989-130.750 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.396 33.487-132.443 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.606 33.317-131.187 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.924 29.896-133.355 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.626 30.195-132.194 1.00 1.15 H new ATOM 1088 N LEU A 81 60.517 33.406-129.678 1.00 0.23 N ATOM 1089 CA LEU A 81 60.110 34.103-128.432 1.00 0.28 C ATOM 1090 C LEU A 81 59.481 33.027-127.569 1.00 0.30 C ATOM 1091 O LEU A 81 59.860 32.796-126.440 1.00 0.31 O ATOM 1092 CB LEU A 81 59.085 35.195-128.749 1.00 0.35 C ATOM 1093 CG LEU A 81 59.802 36.418-129.323 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.806 37.274-130.106 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.393 37.244-128.178 1.00 1.26 C ATOM 0 H LEU A 81 59.880 33.513-130.467 1.00 0.23 H new ATOM 0 HA LEU A 81 60.952 34.587-127.936 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.351 34.823-129.463 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.540 35.470-127.846 1.00 0.35 H new ATOM 0 HG LEU A 81 60.601 36.092-129.988 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.318 38.145-130.515 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.383 36.686-130.921 1.00 1.28 H new ATOM 0 HD13 LEU A 81 58.006 37.601-129.441 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.905 38.116-128.585 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.593 37.570-127.514 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.103 36.635-127.619 1.00 1.26 H new ATOM 1107 N ASN A 82 58.547 32.333-128.144 1.00 0.35 N ATOM 1108 CA ASN A 82 57.888 31.211-127.448 1.00 0.42 C ATOM 1109 C ASN A 82 58.968 30.339-126.821 1.00 0.37 C ATOM 1110 O ASN A 82 59.021 30.168-125.622 1.00 0.38 O ATOM 1111 CB ASN A 82 57.091 30.418-128.491 1.00 0.51 C ATOM 1112 CG ASN A 82 55.688 31.014-128.626 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.706 30.301-128.578 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.553 32.301-128.794 1.00 0.98 N ATOM 0 H ASN A 82 58.207 32.504-129.090 1.00 0.35 H new ATOM 0 HA ASN A 82 57.215 31.559-126.665 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.603 30.446-129.453 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.026 29.371-128.195 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.622 32.709-128.885 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.378 32.899-128.834 1.00 0.98 H new ATOM 1121 N VAL A 83 59.846 29.807-127.619 1.00 0.35 N ATOM 1122 CA VAL A 83 60.938 28.970-127.059 1.00 0.36 C ATOM 1123 C VAL A 83 61.645 29.765-125.961 1.00 0.32 C ATOM 1124 O VAL A 83 61.798 29.307-124.851 1.00 0.35 O ATOM 1125 CB VAL A 83 61.938 28.625-128.165 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.966 27.625-127.634 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.192 28.007-129.350 1.00 0.44 C ATOM 0 H VAL A 83 59.855 29.915-128.633 1.00 0.35 H new ATOM 0 HA VAL A 83 60.528 28.047-126.649 1.00 0.36 H new ATOM 0 HB VAL A 83 62.449 29.532-128.487 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.677 27.381-128.423 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.498 28.063-126.789 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.457 26.717-127.310 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.903 27.761-130.139 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.681 27.100-129.026 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.460 28.719-129.731 1.00 0.44 H new ATOM 1137 N ILE A 84 62.074 30.959-126.266 1.00 0.27 N ATOM 1138 CA ILE A 84 62.762 31.771-125.228 1.00 0.30 C ATOM 1139 C ILE A 84 61.976 31.663-123.921 1.00 0.31 C ATOM 1140 O ILE A 84 62.516 31.353-122.872 1.00 0.37 O ATOM 1141 CB ILE A 84 62.825 33.229-125.658 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.961 33.403-126.660 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.088 34.109-124.434 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.702 34.651-127.492 1.00 0.37 C ATOM 0 H ILE A 84 61.979 31.402-127.180 1.00 0.27 H new ATOM 0 HA ILE A 84 63.778 31.400-125.091 1.00 0.30 H new ATOM 0 HB ILE A 84 61.880 33.520-126.117 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.914 33.490-126.138 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.030 32.528-127.306 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.133 35.154-124.740 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.283 33.977-123.711 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.036 33.823-123.977 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.510 34.783-128.211 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.757 34.544-128.024 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.654 35.521-126.837 1.00 0.37 H new ATOM 1156 N LEU A 85 60.693 31.913-123.976 1.00 0.35 N ATOM 1157 CA LEU A 85 59.867 31.826-122.740 1.00 0.42 C ATOM 1158 C LEU A 85 59.863 30.385-122.236 1.00 0.42 C ATOM 1159 O LEU A 85 60.259 30.106-121.128 1.00 0.47 O ATOM 1160 CB LEU A 85 58.433 32.261-123.051 1.00 0.54 C ATOM 1161 CG LEU A 85 58.315 33.778-122.896 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.412 34.148-121.416 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.449 34.462-123.664 1.00 0.61 C ATOM 0 H LEU A 85 60.185 32.173-124.822 1.00 0.35 H new ATOM 0 HA LEU A 85 60.286 32.480-121.975 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.164 31.966-124.065 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.736 31.761-122.379 1.00 0.54 H new ATOM 0 HG LEU A 85 57.355 34.108-123.294 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.328 35.229-121.305 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.606 33.663-120.866 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.372 33.816-121.020 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.364 35.543-123.553 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.409 34.131-123.267 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.383 34.200-124.720 1.00 0.61 H new ATOM 1175 N ALA A 86 59.421 29.469-123.047 1.00 0.47 N ATOM 1176 CA ALA A 86 59.393 28.041-122.625 1.00 0.58 C ATOM 1177 C ALA A 86 60.771 27.634-122.089 1.00 0.59 C ATOM 1178 O ALA A 86 60.917 26.630-121.421 1.00 0.73 O ATOM 1179 CB ALA A 86 59.046 27.175-123.837 1.00 0.64 C ATOM 0 H ALA A 86 59.076 29.647-123.990 1.00 0.47 H new ATOM 0 HA ALA A 86 58.648 27.904-121.841 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.023 26.126-123.540 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.069 27.465-124.223 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.799 27.316-124.612 1.00 0.64 H new ATOM 1185 N LYS A 87 61.781 28.401-122.396 1.00 0.50 N ATOM 1186 CA LYS A 87 63.157 28.064-121.931 1.00 0.60 C ATOM 1187 C LYS A 87 63.381 28.624-120.532 1.00 0.58 C ATOM 1188 O LYS A 87 63.904 27.960-119.658 1.00 0.71 O ATOM 1189 CB LYS A 87 64.165 28.697-122.883 1.00 0.61 C ATOM 1190 CG LYS A 87 65.481 27.918-122.834 1.00 0.82 C ATOM 1191 CD LYS A 87 66.611 28.789-123.390 1.00 0.99 C ATOM 1192 CE LYS A 87 67.949 28.074-123.197 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.419 28.269-121.797 1.00 2.02 N ATOM 0 H LYS A 87 61.712 29.253-122.953 1.00 0.50 H new ATOM 0 HA LYS A 87 63.280 26.981-121.911 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.769 28.698-123.899 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.337 29.737-122.607 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.704 27.625-121.808 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.395 27.000-123.416 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.443 28.989-124.448 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.625 29.753-122.882 1.00 0.99 H new ATOM 0 HE2 LYS A 87 67.839 27.011-123.410 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.687 28.465-123.897 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.457 28.329-121.785 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.017 29.149-121.415 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.112 27.466-121.213 1.00 2.02 H new ATOM 1207 N TYR A 88 62.969 29.835-120.309 1.00 0.45 N ATOM 1208 CA TYR A 88 63.137 30.433-118.956 1.00 0.47 C ATOM 1209 C TYR A 88 62.036 29.878-118.059 1.00 0.54 C ATOM 1210 O TYR A 88 62.122 29.884-116.847 1.00 0.58 O ATOM 1211 CB TYR A 88 63.013 31.955-119.056 1.00 0.44 C ATOM 1212 CG TYR A 88 64.353 32.531-119.441 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.274 32.887-118.450 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.677 32.701-120.792 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.520 33.414-118.810 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.922 33.227-121.153 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.844 33.583-120.161 1.00 0.61 C ATOM 1218 OH TYR A 88 68.071 34.101-120.517 1.00 0.73 O ATOM 0 H TYR A 88 62.524 30.438-121.001 1.00 0.45 H new ATOM 0 HA TYR A 88 64.116 30.188-118.544 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.260 32.224-119.797 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.684 32.370-118.103 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.024 32.755-117.408 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.965 32.426-121.556 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.231 33.690-118.045 1.00 0.64 H new ATOM 0 HE2 TYR A 88 66.172 33.358-122.195 1.00 0.62 H new ATOM 0 HH TYR A 88 68.185 34.034-121.488 1.00 0.73 H new ATOM 1228 N GLY A 89 60.984 29.432-118.676 1.00 0.59 N ATOM 1229 CA GLY A 89 59.826 28.899-117.906 1.00 0.69 C ATOM 1230 C GLY A 89 59.065 30.093-117.336 1.00 0.77 C ATOM 1231 O GLY A 89 58.612 30.090-116.209 1.00 1.09 O ATOM 0 H GLY A 89 60.873 29.412-119.690 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.179 28.304-118.550 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.167 28.244-117.104 1.00 0.69 H new ATOM 1235 N LEU A 90 58.938 31.118-118.128 1.00 0.65 N ATOM 1236 CA LEU A 90 58.227 32.342-117.685 1.00 0.75 C ATOM 1237 C LEU A 90 57.114 32.643-118.696 1.00 0.80 C ATOM 1238 O LEU A 90 56.732 33.772-118.923 1.00 1.31 O ATOM 1239 CB LEU A 90 59.253 33.487-117.601 1.00 0.82 C ATOM 1240 CG LEU A 90 58.640 34.815-118.040 1.00 1.03 C ATOM 1241 CD1 LEU A 90 57.418 35.132-117.176 1.00 1.50 C ATOM 1242 CD2 LEU A 90 59.680 35.923-117.870 1.00 1.68 C ATOM 0 H LEU A 90 59.304 31.158-119.079 1.00 0.65 H new ATOM 0 HA LEU A 90 57.771 32.217-116.703 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.621 33.574-116.579 1.00 0.82 H new ATOM 0 HB3 LEU A 90 60.112 33.255-118.230 1.00 0.82 H new ATOM 0 HG LEU A 90 58.334 34.748-119.084 1.00 1.03 H new ATOM 0 HD11 LEU A 90 56.984 36.080-117.493 1.00 1.50 H new ATOM 0 HD12 LEU A 90 56.678 34.339-117.287 1.00 1.50 H new ATOM 0 HD13 LEU A 90 57.720 35.202-116.131 1.00 1.50 H new ATOM 0 HD21 LEU A 90 59.251 36.876-118.181 1.00 1.68 H new ATOM 0 HD22 LEU A 90 59.979 35.984-116.824 1.00 1.68 H new ATOM 0 HD23 LEU A 90 60.553 35.700-118.484 1.00 1.68 H new