USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -16.5! C(o=-26!,f=-21!) USER MOD Set 1.2: A 80 ASN : amide:sc= -9.31! C(o=-26!,f=-23!) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -3.98 K(o=-4.2,f=-0.5) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -134:sc= -0.193 (180deg=0) USER MOD Single : A 22 MET CE :methyl -120:sc= -0.723 (180deg=-3.16!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -4.11! C(o=-4.1!,f=-13!) USER MOD Single : A 27 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.48) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.663 (180deg=-2.63!) USER MOD Single : A 33 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.46) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= -1.19 (180deg=-1.33) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.00934) USER MOD Single : A 73 LYS NZ :NH3+ -132:sc= -0.594 (180deg=-3.84!) USER MOD Single : A 82 ASN : amide:sc= -0.634 K(o=-0.63,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 147:sc= -8.96! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.302 50.432-123.707 1.00 0.57 N ATOM 24 CA GLU A 19 64.415 49.472-123.979 1.00 0.55 C ATOM 25 C GLU A 19 64.396 49.082-125.464 1.00 0.56 C ATOM 26 O GLU A 19 65.362 49.273-126.177 1.00 0.63 O ATOM 27 CB GLU A 19 64.268 48.229-123.092 1.00 0.45 C ATOM 28 CG GLU A 19 62.811 47.773-123.060 1.00 0.38 C ATOM 29 CD GLU A 19 62.762 46.250-122.952 1.00 1.26 C ATOM 30 OE1 GLU A 19 63.768 45.670-122.579 1.00 2.06 O ATOM 31 OE2 GLU A 19 61.719 45.688-123.238 1.00 1.96 O ATOM 0 HA GLU A 19 65.370 49.944-123.747 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.900 47.426-123.471 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.609 48.452-122.081 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.294 48.226-122.214 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.295 48.102-123.962 1.00 0.38 H new ATOM 38 N PHE A 20 63.295 48.568-125.942 1.00 0.51 N ATOM 39 CA PHE A 20 63.194 48.203-127.389 1.00 0.54 C ATOM 40 C PHE A 20 62.124 49.087-128.026 1.00 0.55 C ATOM 41 O PHE A 20 61.719 50.078-127.454 1.00 0.57 O ATOM 42 CB PHE A 20 62.786 46.737-127.534 1.00 0.52 C ATOM 43 CG PHE A 20 63.651 45.885-126.647 1.00 0.52 C ATOM 44 CD1 PHE A 20 65.014 45.743-126.924 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.089 45.243-125.544 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.817 44.953-126.093 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.888 44.453-124.710 1.00 0.51 C ATOM 48 CZ PHE A 20 65.254 44.308-124.983 1.00 0.56 C ATOM 0 H PHE A 20 62.456 48.384-125.392 1.00 0.51 H new ATOM 0 HA PHE A 20 64.158 48.349-127.877 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.737 46.612-127.265 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.889 46.421-128.572 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.447 46.242-127.778 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.036 45.356-125.333 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.870 44.840-126.307 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.452 43.955-123.856 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.873 43.700-124.339 1.00 0.56 H new ATOM 58 N ARG A 21 61.646 48.754-129.192 1.00 0.57 N ATOM 59 CA ARG A 21 60.594 49.600-129.821 1.00 0.60 C ATOM 60 C ARG A 21 59.414 48.703-130.188 1.00 0.57 C ATOM 61 O ARG A 21 58.457 49.124-130.808 1.00 0.59 O ATOM 62 CB ARG A 21 61.153 50.241-131.089 1.00 0.69 C ATOM 63 CG ARG A 21 62.367 51.101-130.734 1.00 0.74 C ATOM 64 CD ARG A 21 62.775 51.934-131.950 1.00 0.82 C ATOM 65 NE ARG A 21 64.250 51.829-132.161 1.00 1.35 N ATOM 66 CZ ARG A 21 65.070 51.860-131.144 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.615 52.049-129.935 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.353 51.721-131.341 1.00 2.72 N ATOM 0 H ARG A 21 61.935 47.939-129.733 1.00 0.57 H new ATOM 0 HA ARG A 21 60.275 50.382-129.132 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.437 49.469-131.804 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.388 50.853-131.567 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.130 51.755-129.895 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.196 50.467-130.420 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.245 51.585-132.836 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.493 52.976-131.800 1.00 0.82 H new ATOM 0 HE ARG A 21 64.620 51.732-133.107 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.615 52.173-129.780 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.260 52.072-129.145 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.712 51.589-132.286 1.00 2.72 H new ATOM 0 HH22 ARG A 21 66.996 51.745-130.550 1.00 2.72 H new ATOM 82 N MET A 22 59.487 47.465-129.795 1.00 0.54 N ATOM 83 CA MET A 22 58.385 46.510-130.095 1.00 0.55 C ATOM 84 C MET A 22 57.558 46.288-128.828 1.00 0.49 C ATOM 85 O MET A 22 58.091 46.168-127.742 1.00 0.63 O ATOM 86 CB MET A 22 58.975 45.180-130.560 1.00 0.61 C ATOM 87 CG MET A 22 59.683 45.376-131.903 1.00 0.71 C ATOM 88 SD MET A 22 58.514 46.050-133.109 1.00 1.14 S ATOM 89 CE MET A 22 57.681 44.496-133.516 1.00 1.25 C ATOM 0 H MET A 22 60.269 47.069-129.274 1.00 0.54 H new ATOM 0 HA MET A 22 57.750 46.916-130.882 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.679 44.803-129.818 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.186 44.435-130.658 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.530 46.052-131.784 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.081 44.426-132.258 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.798 44.288-134.580 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.122 43.684-132.937 1.00 1.25 H new ATOM 0 HE3 MET A 22 56.621 44.578-133.277 1.00 1.25 H new ATOM 99 N GLU A 23 56.262 46.244-128.952 1.00 0.47 N ATOM 100 CA GLU A 23 55.410 46.044-127.749 1.00 0.46 C ATOM 101 C GLU A 23 55.634 44.646-127.173 1.00 0.50 C ATOM 102 O GLU A 23 55.753 44.477-125.977 1.00 0.50 O ATOM 103 CB GLU A 23 53.937 46.211-128.130 1.00 0.50 C ATOM 104 CG GLU A 23 53.651 47.685-128.425 1.00 1.45 C ATOM 105 CD GLU A 23 53.913 47.970-129.905 1.00 2.02 C ATOM 106 OE1 GLU A 23 54.243 47.037-130.619 1.00 2.48 O ATOM 107 OE2 GLU A 23 53.780 49.117-130.301 1.00 2.68 O ATOM 0 H GLU A 23 55.757 46.338-129.833 1.00 0.47 H new ATOM 0 HA GLU A 23 55.679 46.786-126.997 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.705 45.602-129.004 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.298 45.861-127.319 1.00 0.50 H new ATOM 0 HG2 GLU A 23 52.617 47.923-128.176 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.283 48.320-127.804 1.00 1.45 H new ATOM 114 N LYS A 24 55.697 43.640-128.000 1.00 0.54 N ATOM 115 CA LYS A 24 55.917 42.267-127.470 1.00 0.59 C ATOM 116 C LYS A 24 57.151 42.266-126.574 1.00 0.53 C ATOM 117 O LYS A 24 57.108 41.829-125.441 1.00 0.55 O ATOM 118 CB LYS A 24 56.134 41.301-128.634 1.00 0.67 C ATOM 119 CG LYS A 24 57.188 41.878-129.580 1.00 0.64 C ATOM 120 CD LYS A 24 57.170 41.106-130.900 1.00 0.77 C ATOM 121 CE LYS A 24 56.105 41.698-131.825 1.00 1.46 C ATOM 122 NZ LYS A 24 56.046 40.906-133.086 1.00 2.09 N ATOM 0 H LYS A 24 55.606 43.709-129.014 1.00 0.54 H new ATOM 0 HA LYS A 24 55.046 41.953-126.895 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.457 40.330-128.260 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.198 41.141-129.168 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.989 42.934-129.762 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.176 41.814-129.123 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.149 41.157-131.376 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.960 40.053-130.714 1.00 0.77 H new ATOM 0 HE2 LYS A 24 55.133 41.688-131.331 1.00 1.46 H new ATOM 0 HE3 LYS A 24 56.339 42.739-132.047 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 55.322 41.308-133.715 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.972 40.937-133.559 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 55.803 39.919-132.865 1.00 2.09 H new ATOM 136 N LEU A 25 58.254 42.750-127.071 1.00 0.47 N ATOM 137 CA LEU A 25 59.496 42.777-126.254 1.00 0.42 C ATOM 138 C LEU A 25 59.282 43.634-125.009 1.00 0.39 C ATOM 139 O LEU A 25 59.460 43.185-123.903 1.00 0.55 O ATOM 140 CB LEU A 25 60.622 43.389-127.085 1.00 0.43 C ATOM 141 CG LEU A 25 61.262 42.321-127.967 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.247 42.789-129.424 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.705 42.102-127.515 1.00 1.03 C ATOM 0 H LEU A 25 58.348 43.130-128.013 1.00 0.47 H new ATOM 0 HA LEU A 25 59.753 41.761-125.955 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.230 44.196-127.704 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.373 43.827-126.428 1.00 0.43 H new ATOM 0 HG LEU A 25 60.705 41.388-127.882 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.704 42.027-130.056 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.218 42.955-129.742 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.809 43.719-129.513 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.170 41.340-128.140 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.261 43.035-127.606 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.715 41.774-126.475 1.00 1.03 H new ATOM 155 N ASN A 26 58.896 44.865-125.184 1.00 0.39 N ATOM 156 CA ASN A 26 58.676 45.721-123.984 1.00 0.37 C ATOM 157 C ASN A 26 57.836 44.914-123.001 1.00 0.40 C ATOM 158 O ASN A 26 58.220 44.665-121.875 1.00 0.40 O ATOM 159 CB ASN A 26 57.932 47.001-124.360 1.00 0.41 C ATOM 160 CG ASN A 26 58.604 47.649-125.571 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.424 47.036-126.225 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.291 48.872-125.899 1.00 0.45 N ATOM 0 H ASN A 26 58.726 45.310-126.086 1.00 0.39 H new ATOM 0 HA ASN A 26 59.633 46.007-123.547 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.890 46.774-124.588 1.00 0.41 H new ATOM 0 HB3 ASN A 26 57.931 47.694-123.518 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.735 49.313-126.704 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.603 49.387-125.350 1.00 0.45 H new ATOM 169 N GLN A 27 56.687 44.504-123.444 1.00 0.44 N ATOM 170 CA GLN A 27 55.787 43.706-122.577 1.00 0.50 C ATOM 171 C GLN A 27 56.599 42.604-121.897 1.00 0.47 C ATOM 172 O GLN A 27 56.568 42.453-120.689 1.00 0.48 O ATOM 173 CB GLN A 27 54.682 43.077-123.428 1.00 0.59 C ATOM 174 CG GLN A 27 53.517 44.060-123.562 1.00 0.58 C ATOM 175 CD GLN A 27 52.831 44.227-122.205 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.403 43.260-121.604 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.706 45.420-121.691 1.00 2.02 N ATOM 0 H GLN A 27 56.329 44.690-124.381 1.00 0.44 H new ATOM 0 HA GLN A 27 55.336 44.350-121.822 1.00 0.50 H new ATOM 0 HB2 GLN A 27 55.070 42.820-124.414 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.338 42.150-122.969 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.880 45.024-123.919 1.00 0.58 H new ATOM 0 HG3 GLN A 27 52.803 43.695-124.300 1.00 0.58 H new ATOM 0 HE21 GLN A 27 53.064 46.232-122.194 1.00 2.02 H new ATOM 0 HE22 GLN A 27 52.250 45.540-120.787 1.00 2.02 H new ATOM 186 N LEU A 28 57.315 41.820-122.659 1.00 0.47 N ATOM 187 CA LEU A 28 58.115 40.708-122.062 1.00 0.47 C ATOM 188 C LEU A 28 59.153 41.249-121.080 1.00 0.39 C ATOM 189 O LEU A 28 59.266 40.773-119.968 1.00 0.50 O ATOM 190 CB LEU A 28 58.827 39.943-123.179 1.00 0.50 C ATOM 191 CG LEU A 28 57.812 39.096-123.946 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.505 38.410-125.124 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.227 38.034-123.013 1.00 1.21 C ATOM 0 H LEU A 28 57.381 41.902-123.674 1.00 0.47 H new ATOM 0 HA LEU A 28 57.439 40.045-121.522 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.319 40.641-123.856 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.605 39.305-122.759 1.00 0.50 H new ATOM 0 HG LEU A 28 57.012 39.737-124.318 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.781 37.806-125.671 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.924 39.165-125.789 1.00 1.41 H new ATOM 0 HD13 LEU A 28 59.305 37.769-124.753 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.503 37.429-123.559 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.028 37.394-122.642 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.733 38.521-122.172 1.00 1.21 H new ATOM 205 N TRP A 29 59.908 42.238-121.463 1.00 0.37 N ATOM 206 CA TRP A 29 60.928 42.806-120.548 1.00 0.30 C ATOM 207 C TRP A 29 60.248 43.185-119.237 1.00 0.36 C ATOM 208 O TRP A 29 60.566 42.672-118.177 1.00 0.39 O ATOM 209 CB TRP A 29 61.491 44.047-121.249 1.00 0.32 C ATOM 210 CG TRP A 29 62.633 44.647-120.501 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.788 45.972-120.306 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.783 44.002-119.878 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.950 46.191-119.602 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.601 45.009-119.309 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.196 42.663-119.746 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.780 44.699-118.638 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.383 42.349-119.068 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.173 43.366-118.515 1.00 0.41 C ATOM 0 H TRP A 29 59.860 42.680-122.381 1.00 0.37 H new ATOM 0 HA TRP A 29 61.728 42.101-120.324 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.818 43.778-122.253 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.701 44.790-121.359 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.109 46.739-120.648 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.289 47.114-119.330 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.595 41.872-120.170 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.387 45.486-118.215 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.690 41.318-118.972 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.086 43.118-117.994 1.00 0.41 H new ATOM 229 N GLU A 30 59.314 44.089-119.306 1.00 0.45 N ATOM 230 CA GLU A 30 58.608 44.510-118.073 1.00 0.56 C ATOM 231 C GLU A 30 58.250 43.253-117.278 1.00 0.50 C ATOM 232 O GLU A 30 58.464 43.174-116.084 1.00 0.52 O ATOM 233 CB GLU A 30 57.328 45.263-118.447 1.00 0.68 C ATOM 234 CG GLU A 30 57.667 46.723-118.753 1.00 0.86 C ATOM 235 CD GLU A 30 56.374 47.514-118.964 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.329 46.891-119.054 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.451 48.730-119.031 1.00 2.06 O ATOM 0 H GLU A 30 59.011 44.552-120.163 1.00 0.45 H new ATOM 0 HA GLU A 30 59.243 45.167-117.478 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.860 44.798-119.314 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.609 45.209-117.629 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.240 47.154-117.932 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.292 46.783-119.644 1.00 0.86 H new ATOM 244 N LYS A 31 57.706 42.268-117.942 1.00 0.46 N ATOM 245 CA LYS A 31 57.332 41.008-117.238 1.00 0.45 C ATOM 246 C LYS A 31 58.559 40.426-116.524 1.00 0.43 C ATOM 247 O LYS A 31 58.516 40.114-115.347 1.00 0.46 O ATOM 248 CB LYS A 31 56.807 39.988-118.252 1.00 0.44 C ATOM 249 CG LYS A 31 55.474 40.470-118.831 1.00 0.91 C ATOM 250 CD LYS A 31 55.282 39.871-120.228 1.00 0.99 C ATOM 251 CE LYS A 31 53.851 39.356-120.378 1.00 1.36 C ATOM 252 NZ LYS A 31 52.923 40.224-119.600 1.00 2.08 N ATOM 0 H LYS A 31 57.505 42.282-118.942 1.00 0.46 H new ATOM 0 HA LYS A 31 56.556 41.228-116.505 1.00 0.45 H new ATOM 0 HB2 LYS A 31 57.533 39.851-119.053 1.00 0.44 H new ATOM 0 HB3 LYS A 31 56.676 39.018-117.771 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.653 40.172-118.179 1.00 0.91 H new ATOM 0 HG3 LYS A 31 55.460 41.559-118.885 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.489 40.624-120.988 1.00 0.99 H new ATOM 0 HD3 LYS A 31 55.990 39.057-120.385 1.00 0.99 H new ATOM 0 HE2 LYS A 31 53.564 39.351-121.430 1.00 1.36 H new ATOM 0 HE3 LYS A 31 53.785 38.327-120.024 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 51.976 40.192-120.029 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.870 39.884-118.619 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.274 41.203-119.608 1.00 2.08 H new ATOM 266 N ALA A 32 59.654 40.264-117.219 1.00 0.41 N ATOM 267 CA ALA A 32 60.857 39.691-116.551 1.00 0.41 C ATOM 268 C ALA A 32 61.194 40.526-115.320 1.00 0.41 C ATOM 269 O ALA A 32 61.158 40.039-114.202 1.00 0.42 O ATOM 270 CB ALA A 32 62.050 39.695-117.507 1.00 0.42 C ATOM 0 H ALA A 32 59.767 40.500-118.205 1.00 0.41 H new ATOM 0 HA ALA A 32 60.643 38.663-116.258 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.921 39.274-117.004 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.814 39.096-118.386 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.268 40.718-117.813 1.00 0.42 H new ATOM 276 N GLN A 33 61.515 41.781-115.488 1.00 0.43 N ATOM 277 CA GLN A 33 61.838 42.600-114.294 1.00 0.47 C ATOM 278 C GLN A 33 60.795 42.316-113.221 1.00 0.49 C ATOM 279 O GLN A 33 61.098 42.240-112.047 1.00 0.53 O ATOM 280 CB GLN A 33 61.819 44.084-114.667 1.00 0.51 C ATOM 281 CG GLN A 33 63.012 44.397-115.577 1.00 0.53 C ATOM 282 CD GLN A 33 62.955 45.864-116.006 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.885 46.612-115.782 1.00 1.17 O ATOM 284 NE2 GLN A 33 61.892 46.311-116.618 1.00 1.23 N ATOM 0 H GLN A 33 61.566 42.264-116.385 1.00 0.43 H new ATOM 0 HA GLN A 33 62.831 42.349-113.921 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.886 44.331-115.174 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.864 44.697-113.767 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.946 44.197-115.052 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.994 43.750-116.454 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.110 45.683-116.807 1.00 1.23 H new ATOM 0 HE22 GLN A 33 61.843 47.288-116.908 1.00 1.23 H new ATOM 293 N ARG A 34 59.564 42.142-113.617 1.00 0.49 N ATOM 294 CA ARG A 34 58.505 41.844-112.620 1.00 0.52 C ATOM 295 C ARG A 34 58.856 40.548-111.905 1.00 0.52 C ATOM 296 O ARG A 34 58.679 40.419-110.710 1.00 0.55 O ATOM 297 CB ARG A 34 57.162 41.691-113.328 1.00 0.56 C ATOM 298 CG ARG A 34 56.270 42.893-113.006 1.00 0.67 C ATOM 299 CD ARG A 34 55.758 42.780-111.569 1.00 1.59 C ATOM 300 NE ARG A 34 55.497 44.144-111.028 1.00 1.96 N ATOM 301 CZ ARG A 34 54.782 44.292-109.947 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.296 43.246-109.337 1.00 3.42 N ATOM 303 NH2 ARG A 34 54.554 45.487-109.474 1.00 3.58 N ATOM 0 H ARG A 34 59.249 42.194-114.586 1.00 0.49 H new ATOM 0 HA ARG A 34 58.436 42.658-111.899 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.314 41.617-114.405 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.675 40.769-113.010 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.831 43.819-113.131 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.430 42.932-113.700 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.845 42.185-111.542 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.492 42.265-110.949 1.00 1.59 H new ATOM 0 HE ARG A 34 55.878 44.962-111.503 1.00 1.96 H new ATOM 0 HH11 ARG A 34 54.475 42.312-109.705 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.737 43.362-108.492 1.00 3.42 H new ATOM 0 HH21 ARG A 34 54.935 46.305-109.950 1.00 3.58 H new ATOM 0 HH22 ARG A 34 53.995 45.603-108.629 1.00 3.58 H new ATOM 317 N LEU A 35 59.398 39.599-112.615 1.00 0.50 N ATOM 318 CA LEU A 35 59.804 38.337-111.946 1.00 0.54 C ATOM 319 C LEU A 35 61.070 38.646-111.159 1.00 0.55 C ATOM 320 O LEU A 35 61.509 37.891-110.315 1.00 0.61 O ATOM 321 CB LEU A 35 60.086 37.251-112.987 1.00 0.57 C ATOM 322 CG LEU A 35 58.810 36.947-113.776 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.991 35.640-114.549 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.629 36.805-112.813 1.00 0.84 C ATOM 0 H LEU A 35 59.575 39.643-113.619 1.00 0.50 H new ATOM 0 HA LEU A 35 59.013 37.971-111.292 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.874 37.579-113.665 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.445 36.347-112.495 1.00 0.57 H new ATOM 0 HG LEU A 35 58.614 37.763-114.472 1.00 0.68 H new ATOM 0 HD11 LEU A 35 58.083 35.421-115.112 1.00 1.20 H new ATOM 0 HD12 LEU A 35 59.830 35.738-115.238 1.00 1.20 H new ATOM 0 HD13 LEU A 35 59.189 34.828-113.849 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.723 36.589-113.378 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.824 35.991-112.115 1.00 0.84 H new ATOM 0 HD23 LEU A 35 57.498 37.734-112.259 1.00 0.84 H new ATOM 336 N HIS A 36 61.641 39.786-111.435 1.00 0.53 N ATOM 337 CA HIS A 36 62.877 40.219-110.714 1.00 0.58 C ATOM 338 C HIS A 36 64.026 39.232-110.943 1.00 0.49 C ATOM 339 O HIS A 36 64.506 38.594-110.026 1.00 1.37 O ATOM 340 CB HIS A 36 62.584 40.318-109.217 1.00 0.98 C ATOM 341 CG HIS A 36 62.040 41.684-108.901 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.679 42.553-108.032 1.00 1.89 N ATOM 343 CD2 HIS A 36 60.916 42.346-109.333 1.00 1.60 C ATOM 344 CE1 HIS A 36 61.944 43.678-107.967 1.00 2.32 C ATOM 345 NE2 HIS A 36 60.857 43.604-108.742 1.00 2.17 N ATOM 0 H HIS A 36 61.302 40.445-112.136 1.00 0.53 H new ATOM 0 HA HIS A 36 63.177 41.192-111.103 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.865 39.552-108.925 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.494 40.136-108.645 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.189 41.950-110.026 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.201 44.536-107.363 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.139 44.317-108.872 1.00 2.17 H new ATOM 353 N LEU A 37 64.450 39.087-112.164 1.00 0.59 N ATOM 354 CA LEU A 37 65.549 38.118-112.442 1.00 0.43 C ATOM 355 C LEU A 37 66.885 38.829-112.206 1.00 0.44 C ATOM 356 O LEU A 37 67.114 39.905-112.721 1.00 0.42 O ATOM 357 CB LEU A 37 65.514 37.661-113.902 1.00 0.53 C ATOM 358 CG LEU A 37 64.091 37.305-114.324 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.437 38.528-114.971 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.144 36.167-115.344 1.00 0.82 C ATOM 0 H LEU A 37 64.090 39.590-112.975 1.00 0.59 H new ATOM 0 HA LEU A 37 65.430 37.252-111.790 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.902 38.451-114.545 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.164 36.796-114.033 1.00 0.53 H new ATOM 0 HG LEU A 37 63.513 36.996-113.453 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.420 38.279-115.274 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.411 39.349-114.254 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.013 38.829-115.846 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.131 35.906-115.651 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.717 36.486-116.215 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.622 35.297-114.894 1.00 0.82 H new ATOM 372 N PRO A 38 67.764 38.240-111.428 1.00 0.57 N ATOM 373 CA PRO A 38 69.081 38.866-111.145 1.00 0.66 C ATOM 374 C PRO A 38 69.727 39.379-112.421 1.00 0.58 C ATOM 375 O PRO A 38 69.408 38.926-113.492 1.00 0.52 O ATOM 376 CB PRO A 38 69.878 37.699-110.564 1.00 0.81 C ATOM 377 CG PRO A 38 68.891 36.582-110.189 1.00 0.82 C ATOM 378 CD PRO A 38 67.519 36.919-110.792 1.00 0.69 C ATOM 0 HA PRO A 38 69.020 39.730-110.483 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.605 37.336-111.291 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.439 38.021-109.686 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.245 35.622-110.566 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.816 36.491-109.105 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.200 36.172-111.518 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.742 36.974-110.029 1.00 0.69 H new ATOM 386 N PRO A 39 70.628 40.307-112.320 1.00 0.62 N ATOM 387 CA PRO A 39 71.296 40.841-113.527 1.00 0.60 C ATOM 388 C PRO A 39 71.816 39.712-114.418 1.00 0.53 C ATOM 389 O PRO A 39 71.582 39.683-115.599 1.00 0.51 O ATOM 390 CB PRO A 39 72.444 41.659-112.932 1.00 0.74 C ATOM 391 CG PRO A 39 72.252 41.742-111.410 1.00 0.81 C ATOM 392 CD PRO A 39 71.047 40.878-111.017 1.00 0.74 C ATOM 0 HA PRO A 39 70.636 41.424-114.170 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.401 41.194-113.167 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.460 42.659-113.366 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.149 41.395-110.897 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.091 42.776-111.106 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.319 40.102-110.302 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.255 41.470-110.559 1.00 0.74 H new ATOM 400 N VAL A 40 72.559 38.815-113.850 1.00 0.52 N ATOM 401 CA VAL A 40 73.152 37.694-114.631 1.00 0.47 C ATOM 402 C VAL A 40 72.075 36.970-115.434 1.00 0.41 C ATOM 403 O VAL A 40 72.139 36.870-116.653 1.00 0.37 O ATOM 404 CB VAL A 40 73.815 36.713-113.656 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.779 35.726-113.114 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.926 35.948-114.375 1.00 0.50 C ATOM 0 H VAL A 40 72.788 38.807-112.856 1.00 0.52 H new ATOM 0 HA VAL A 40 73.890 38.091-115.328 1.00 0.47 H new ATOM 0 HB VAL A 40 74.239 37.274-112.823 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.262 35.035-112.423 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.994 36.273-112.591 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.342 35.166-113.941 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.396 35.251-113.681 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.503 35.395-115.214 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.672 36.652-114.744 1.00 0.50 H new ATOM 416 N ARG A 41 71.075 36.479-114.775 1.00 0.42 N ATOM 417 CA ARG A 41 69.993 35.768-115.500 1.00 0.40 C ATOM 418 C ARG A 41 69.180 36.790-116.272 1.00 0.34 C ATOM 419 O ARG A 41 68.512 36.473-117.238 1.00 0.30 O ATOM 420 CB ARG A 41 69.091 35.043-114.498 1.00 0.46 C ATOM 421 CG ARG A 41 67.939 34.367-115.244 1.00 0.87 C ATOM 422 CD ARG A 41 67.132 33.510-114.269 1.00 1.00 C ATOM 423 NE ARG A 41 68.031 32.519-113.614 1.00 1.53 N ATOM 424 CZ ARG A 41 67.638 31.891-112.540 1.00 2.18 C ATOM 425 NH1 ARG A 41 66.457 32.131-112.039 1.00 2.54 N ATOM 426 NH2 ARG A 41 68.427 31.023-111.966 1.00 3.12 N ATOM 0 H ARG A 41 70.957 36.538-113.764 1.00 0.42 H new ATOM 0 HA ARG A 41 70.420 35.035-116.184 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.666 34.300-113.946 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.699 35.750-113.767 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.296 35.120-115.701 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.329 33.748-116.052 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.661 34.143-113.516 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.331 32.995-114.799 1.00 1.00 H new ATOM 0 HE ARG A 41 68.954 32.331-114.005 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.841 32.810-112.487 1.00 2.54 H new ATOM 0 HH12 ARG A 41 66.150 31.640-111.199 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.350 30.836-112.357 1.00 3.12 H new ATOM 0 HH22 ARG A 41 68.120 30.532-111.126 1.00 3.12 H new ATOM 440 N LEU A 42 69.243 38.025-115.864 1.00 0.35 N ATOM 441 CA LEU A 42 68.477 39.060-116.595 1.00 0.30 C ATOM 442 C LEU A 42 69.274 39.449-117.829 1.00 0.31 C ATOM 443 O LEU A 42 68.728 39.911-118.803 1.00 0.49 O ATOM 444 CB LEU A 42 68.220 40.278-115.710 1.00 0.32 C ATOM 445 CG LEU A 42 67.036 41.067-116.279 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.720 40.386-115.909 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.035 42.481-115.694 1.00 0.60 C ATOM 0 H LEU A 42 69.785 38.356-115.066 1.00 0.35 H new ATOM 0 HA LEU A 42 67.504 38.665-116.886 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.006 39.963-114.689 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.108 40.909-115.670 1.00 0.32 H new ATOM 0 HG LEU A 42 67.134 41.107-117.364 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.887 40.957-116.319 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.705 39.376-116.319 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.627 40.338-114.824 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.193 43.042-116.099 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.946 42.426-114.609 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.966 42.984-115.957 1.00 0.60 H new ATOM 459 N ALA A 43 70.559 39.216-117.821 1.00 0.30 N ATOM 460 CA ALA A 43 71.367 39.513-119.024 1.00 0.30 C ATOM 461 C ALA A 43 71.087 38.365-119.972 1.00 0.29 C ATOM 462 O ALA A 43 71.066 38.505-121.171 1.00 0.28 O ATOM 463 CB ALA A 43 72.854 39.548-118.659 1.00 0.36 C ATOM 0 H ALA A 43 71.078 38.833-117.031 1.00 0.30 H new ATOM 0 HA ALA A 43 71.119 40.479-119.464 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.442 39.767-119.550 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.027 40.321-117.911 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.153 38.580-118.256 1.00 0.36 H new ATOM 469 N GLU A 44 70.850 37.217-119.408 1.00 0.30 N ATOM 470 CA GLU A 44 70.527 36.055-120.271 1.00 0.32 C ATOM 471 C GLU A 44 69.201 36.377-120.973 1.00 0.30 C ATOM 472 O GLU A 44 69.139 36.499-122.180 1.00 0.34 O ATOM 473 CB GLU A 44 70.377 34.793-119.417 1.00 0.37 C ATOM 474 CG GLU A 44 70.591 33.556-120.290 1.00 1.15 C ATOM 475 CD GLU A 44 70.474 32.297-119.430 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.280 32.437-118.233 1.00 2.80 O ATOM 477 OE2 GLU A 44 70.580 31.214-119.981 1.00 2.92 O ATOM 0 H GLU A 44 70.865 37.035-118.404 1.00 0.30 H new ATOM 0 HA GLU A 44 71.319 35.875-120.997 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.100 34.805-118.602 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.386 34.764-118.964 1.00 0.37 H new ATOM 0 HG2 GLU A 44 69.853 33.531-121.091 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.573 33.597-120.762 1.00 1.15 H new ATOM 484 N LEU A 45 68.140 36.506-120.220 1.00 0.28 N ATOM 485 CA LEU A 45 66.803 36.812-120.829 1.00 0.29 C ATOM 486 C LEU A 45 66.803 38.197-121.492 1.00 0.24 C ATOM 487 O LEU A 45 66.158 38.409-122.499 1.00 0.25 O ATOM 488 CB LEU A 45 65.733 36.783-119.734 1.00 0.34 C ATOM 489 CG LEU A 45 64.462 37.463-120.245 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.237 36.688-119.756 1.00 0.83 C ATOM 491 CD2 LEU A 45 64.403 38.897-119.713 1.00 0.77 C ATOM 0 H LEU A 45 68.138 36.413-119.204 1.00 0.28 H new ATOM 0 HA LEU A 45 66.591 36.062-121.590 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.518 35.753-119.448 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.097 37.292-118.841 1.00 0.34 H new ATOM 0 HG LEU A 45 64.471 37.479-121.335 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.331 37.172-120.120 1.00 0.83 H new ATOM 0 HD12 LEU A 45 63.279 35.666-120.133 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.227 36.673-118.666 1.00 0.83 H new ATOM 0 HD21 LEU A 45 63.498 39.383-120.076 1.00 0.77 H new ATOM 0 HD22 LEU A 45 64.394 38.881-118.623 1.00 0.77 H new ATOM 0 HD23 LEU A 45 65.276 39.450-120.060 1.00 0.77 H new ATOM 503 N HIS A 46 67.534 39.134-120.954 1.00 0.21 N ATOM 504 CA HIS A 46 67.578 40.488-121.583 1.00 0.20 C ATOM 505 C HIS A 46 68.400 40.395-122.870 1.00 0.19 C ATOM 506 O HIS A 46 67.985 40.829-123.926 1.00 0.21 O ATOM 507 CB HIS A 46 68.234 41.490-120.629 1.00 0.23 C ATOM 508 CG HIS A 46 68.226 42.859-121.253 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.354 43.409-121.841 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.238 43.804-121.381 1.00 0.27 C ATOM 511 CE1 HIS A 46 69.020 44.632-122.294 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.742 44.923-122.039 1.00 0.31 N ATOM 0 H HIS A 46 68.100 39.024-120.112 1.00 0.21 H new ATOM 0 HA HIS A 46 66.565 40.826-121.803 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.698 41.509-119.680 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.257 41.184-120.411 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.224 43.696-121.025 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.703 45.297-122.802 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.242 45.780-122.275 1.00 0.31 H new ATOM 520 N ALA A 47 69.564 39.821-122.775 1.00 0.19 N ATOM 521 CA ALA A 47 70.442 39.671-123.968 1.00 0.22 C ATOM 522 C ALA A 47 69.691 38.906-125.051 1.00 0.21 C ATOM 523 O ALA A 47 69.482 39.396-126.141 1.00 0.22 O ATOM 524 CB ALA A 47 71.696 38.886-123.573 1.00 0.27 C ATOM 0 H ALA A 47 69.951 39.444-121.910 1.00 0.19 H new ATOM 0 HA ALA A 47 70.726 40.654-124.343 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.343 38.773-124.443 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.231 39.424-122.790 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.408 37.901-123.204 1.00 0.27 H new ATOM 530 N ASP A 48 69.266 37.713-124.753 1.00 0.22 N ATOM 531 CA ASP A 48 68.511 36.927-125.766 1.00 0.25 C ATOM 532 C ASP A 48 67.350 37.784-126.255 1.00 0.22 C ATOM 533 O ASP A 48 67.160 37.983-127.438 1.00 0.25 O ATOM 534 CB ASP A 48 67.973 35.643-125.130 1.00 0.28 C ATOM 535 CG ASP A 48 69.142 34.769-124.675 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.250 35.017-125.120 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.910 33.866-123.887 1.00 0.94 O ATOM 0 H ASP A 48 69.407 37.249-123.856 1.00 0.22 H new ATOM 0 HA ASP A 48 69.161 36.657-126.598 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.335 35.886-124.280 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.357 35.100-125.847 1.00 0.28 H new ATOM 542 N LEU A 49 66.582 38.307-125.344 1.00 0.19 N ATOM 543 CA LEU A 49 65.446 39.168-125.754 1.00 0.19 C ATOM 544 C LEU A 49 65.974 40.224-126.727 1.00 0.18 C ATOM 545 O LEU A 49 65.324 40.573-127.692 1.00 0.19 O ATOM 546 CB LEU A 49 64.823 39.837-124.528 1.00 0.18 C ATOM 547 CG LEU A 49 63.805 38.884-123.896 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.148 39.561-122.694 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.731 38.525-124.928 1.00 0.89 C ATOM 0 H LEU A 49 66.692 38.176-124.338 1.00 0.19 H new ATOM 0 HA LEU A 49 64.675 38.569-126.238 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.598 40.092-123.805 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.337 40.769-124.816 1.00 0.18 H new ATOM 0 HG LEU A 49 64.314 37.977-123.569 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.423 38.882-122.245 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.911 39.816-121.958 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.640 40.469-123.020 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.006 37.846-124.478 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.224 39.432-125.256 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.198 38.040-125.785 1.00 0.89 H new ATOM 561 N LYS A 50 67.166 40.718-126.501 1.00 0.20 N ATOM 562 CA LYS A 50 67.732 41.724-127.442 1.00 0.21 C ATOM 563 C LYS A 50 68.030 41.013-128.761 1.00 0.23 C ATOM 564 O LYS A 50 67.530 41.372-129.803 1.00 0.24 O ATOM 565 CB LYS A 50 69.027 42.306-126.869 1.00 0.24 C ATOM 566 CG LYS A 50 68.730 43.009-125.543 1.00 0.36 C ATOM 567 CD LYS A 50 69.279 44.438-125.586 1.00 0.84 C ATOM 568 CE LYS A 50 70.799 44.412-125.409 1.00 1.09 C ATOM 569 NZ LYS A 50 71.230 45.611-124.636 1.00 1.84 N ATOM 0 H LYS A 50 67.764 40.469-125.713 1.00 0.20 H new ATOM 0 HA LYS A 50 67.024 42.539-127.595 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.758 41.512-126.716 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.465 43.011-127.576 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.655 43.027-125.362 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.183 42.459-124.718 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.022 44.908-126.535 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.822 45.037-124.799 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.100 43.503-124.888 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.289 44.398-126.383 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.054 46.045-125.099 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.451 46.299-124.600 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.486 45.327-123.669 1.00 1.84 H new ATOM 583 N ILE A 51 68.836 39.993-128.717 1.00 0.25 N ATOM 584 CA ILE A 51 69.141 39.266-129.976 1.00 0.27 C ATOM 585 C ILE A 51 67.813 39.103-130.708 1.00 0.26 C ATOM 586 O ILE A 51 67.619 39.601-131.812 1.00 0.25 O ATOM 587 CB ILE A 51 69.733 37.891-129.662 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.239 38.028-129.434 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.479 36.945-130.835 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.491 38.969-128.258 1.00 0.30 C ATOM 0 H ILE A 51 69.291 39.635-127.877 1.00 0.25 H new ATOM 0 HA ILE A 51 69.867 39.810-130.580 1.00 0.27 H new ATOM 0 HB ILE A 51 69.263 37.489-128.765 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.678 37.051-129.232 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.720 38.414-130.333 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.901 35.965-130.610 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.406 36.849-130.999 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.949 37.345-131.733 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.564 39.068-128.094 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.066 39.948-128.478 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.023 38.564-127.361 1.00 0.30 H new ATOM 602 N GLN A 52 66.872 38.445-130.090 1.00 0.26 N ATOM 603 CA GLN A 52 65.550 38.295-130.728 1.00 0.27 C ATOM 604 C GLN A 52 65.033 39.689-131.072 1.00 0.24 C ATOM 605 O GLN A 52 64.256 39.856-131.977 1.00 0.26 O ATOM 606 CB GLN A 52 64.589 37.609-129.755 1.00 0.32 C ATOM 607 CG GLN A 52 63.477 36.916-130.542 1.00 0.45 C ATOM 608 CD GLN A 52 64.017 35.622-131.152 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.467 34.744-130.442 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.994 35.465-132.446 1.00 0.48 N ATOM 0 H GLN A 52 66.968 38.008-129.173 1.00 0.26 H new ATOM 0 HA GLN A 52 65.626 37.688-131.630 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.127 36.881-129.148 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.162 38.342-129.071 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.634 36.698-129.886 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.107 37.575-131.328 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.617 36.201-133.042 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.353 34.606-132.862 1.00 0.48 H new ATOM 619 N GLU A 53 65.462 40.697-130.347 1.00 0.23 N ATOM 620 CA GLU A 53 64.991 42.080-130.654 1.00 0.23 C ATOM 621 C GLU A 53 65.610 42.537-131.970 1.00 0.20 C ATOM 622 O GLU A 53 64.978 43.192-132.765 1.00 0.21 O ATOM 623 CB GLU A 53 65.413 43.055-129.558 1.00 0.25 C ATOM 624 CG GLU A 53 64.964 44.466-129.951 1.00 0.28 C ATOM 625 CD GLU A 53 66.156 45.428-129.874 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.238 44.979-129.534 1.00 1.09 O ATOM 627 OE2 GLU A 53 65.965 46.599-130.156 1.00 1.04 O ATOM 0 H GLU A 53 66.111 40.620-129.564 1.00 0.23 H new ATOM 0 HA GLU A 53 63.903 42.067-130.720 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.966 42.769-128.606 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.494 43.027-129.424 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.554 44.460-130.961 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.169 44.803-129.286 1.00 0.28 H new ATOM 634 N ARG A 54 66.845 42.199-132.213 1.00 0.22 N ATOM 635 CA ARG A 54 67.481 42.616-133.487 1.00 0.22 C ATOM 636 C ARG A 54 66.770 41.905-134.625 1.00 0.20 C ATOM 637 O ARG A 54 66.615 42.425-135.716 1.00 0.21 O ATOM 638 CB ARG A 54 68.947 42.196-133.477 1.00 0.24 C ATOM 639 CG ARG A 54 69.746 43.162-132.606 1.00 0.27 C ATOM 640 CD ARG A 54 70.596 44.073-133.493 1.00 0.85 C ATOM 641 NE ARG A 54 71.333 43.247-134.490 1.00 1.55 N ATOM 642 CZ ARG A 54 71.879 43.815-135.531 1.00 2.09 C ATOM 643 NH1 ARG A 54 71.778 45.106-135.698 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.525 43.094-136.405 1.00 3.03 N ATOM 0 H ARG A 54 67.437 41.654-131.586 1.00 0.22 H new ATOM 0 HA ARG A 54 67.413 43.697-133.609 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.043 41.180-133.094 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.343 42.193-134.493 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.070 43.761-131.995 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.386 42.605-131.921 1.00 0.27 H new ATOM 0 HD2 ARG A 54 69.961 44.797-134.003 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.299 44.639-132.883 1.00 0.85 H new ATOM 0 HE ARG A 54 71.411 42.238-134.359 1.00 1.55 H new ATOM 0 HH11 ARG A 54 71.273 45.671-135.015 1.00 2.40 H new ATOM 0 HH12 ARG A 54 72.205 45.550-136.511 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.604 42.085-136.276 1.00 3.03 H new ATOM 0 HH22 ARG A 54 72.951 43.539-137.218 1.00 3.03 H new ATOM 658 N ASP A 55 66.305 40.723-134.356 1.00 0.20 N ATOM 659 CA ASP A 55 65.567 39.956-135.400 1.00 0.21 C ATOM 660 C ASP A 55 64.101 40.408-135.421 1.00 0.21 C ATOM 661 O ASP A 55 63.474 40.494-136.464 1.00 0.20 O ATOM 662 CB ASP A 55 65.636 38.461-135.079 1.00 0.25 C ATOM 663 CG ASP A 55 67.096 38.006-135.075 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.919 38.718-135.626 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.368 36.953-134.521 1.00 0.94 O ATOM 0 H ASP A 55 66.402 40.250-133.457 1.00 0.20 H new ATOM 0 HA ASP A 55 66.019 40.138-136.375 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.181 38.265-134.108 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.069 37.893-135.817 1.00 0.25 H new ATOM 670 N GLU A 56 63.557 40.730-134.279 1.00 0.27 N ATOM 671 CA GLU A 56 62.147 41.196-134.225 1.00 0.32 C ATOM 672 C GLU A 56 62.082 42.573-134.860 1.00 0.30 C ATOM 673 O GLU A 56 61.278 42.831-135.732 1.00 0.31 O ATOM 674 CB GLU A 56 61.681 41.277-132.769 1.00 0.39 C ATOM 675 CG GLU A 56 61.731 39.883-132.138 1.00 0.44 C ATOM 676 CD GLU A 56 60.308 39.343-131.980 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.720 38.974-132.984 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.830 39.306-130.858 1.00 1.72 O ATOM 0 H GLU A 56 64.033 40.689-133.378 1.00 0.27 H new ATOM 0 HA GLU A 56 61.500 40.500-134.759 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.317 41.964-132.210 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.666 41.673-132.722 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.319 39.210-132.762 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.224 39.929-131.167 1.00 0.44 H new ATOM 685 N LEU A 57 62.948 43.453-134.457 1.00 0.30 N ATOM 686 CA LEU A 57 62.957 44.796-135.071 1.00 0.32 C ATOM 687 C LEU A 57 63.271 44.610-136.552 1.00 0.28 C ATOM 688 O LEU A 57 62.571 45.098-137.414 1.00 0.29 O ATOM 689 CB LEU A 57 64.036 45.662-134.420 1.00 0.36 C ATOM 690 CG LEU A 57 63.469 46.334-133.171 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.618 46.868-132.316 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.559 47.494-133.585 1.00 1.22 C ATOM 0 H LEU A 57 63.647 43.298-133.731 1.00 0.30 H new ATOM 0 HA LEU A 57 61.995 45.290-134.934 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.898 45.049-134.156 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.385 46.417-135.125 1.00 0.36 H new ATOM 0 HG LEU A 57 62.894 45.608-132.596 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.215 47.348-131.424 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.267 46.043-132.022 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.192 47.594-132.891 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.154 47.974-132.694 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.134 48.220-134.159 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.741 47.114-134.196 1.00 1.22 H new ATOM 704 N ALA A 58 64.305 43.867-136.860 1.00 0.25 N ATOM 705 CA ALA A 58 64.619 43.621-138.289 1.00 0.24 C ATOM 706 C ALA A 58 63.344 43.099-138.942 1.00 0.21 C ATOM 707 O ALA A 58 63.090 43.301-140.116 1.00 0.21 O ATOM 708 CB ALA A 58 65.731 42.576-138.407 1.00 0.24 C ATOM 0 H ALA A 58 64.935 43.428-136.189 1.00 0.25 H new ATOM 0 HA ALA A 58 64.961 44.535-138.776 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.956 42.401-139.459 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.626 42.938-137.900 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.405 41.644-137.946 1.00 0.24 H new ATOM 714 N TRP A 59 62.508 42.467-138.162 1.00 0.19 N ATOM 715 CA TRP A 59 61.232 41.985-138.734 1.00 0.18 C ATOM 716 C TRP A 59 60.306 43.183-138.928 1.00 0.20 C ATOM 717 O TRP A 59 59.888 43.476-140.030 1.00 0.30 O ATOM 718 CB TRP A 59 60.544 40.953-137.846 1.00 0.19 C ATOM 719 CG TRP A 59 59.343 40.471-138.593 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.353 39.512-139.547 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.967 40.932-138.490 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.076 39.368-140.052 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.182 40.216-139.423 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.330 41.893-137.684 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.812 40.447-139.555 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.952 42.125-137.812 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.195 41.404-138.745 1.00 0.39 C ATOM 0 H TRP A 59 62.655 42.269-137.172 1.00 0.19 H new ATOM 0 HA TRP A 59 61.452 41.496-139.683 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.217 40.126-137.622 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.254 41.395-136.893 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.220 38.950-139.863 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.823 38.718-140.796 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.905 42.455-136.963 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.233 39.891-140.277 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.472 42.864-137.188 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.135 41.588-138.838 1.00 0.39 H new ATOM 738 N LYS A 60 59.968 43.885-137.874 1.00 0.27 N ATOM 739 CA LYS A 60 59.064 45.049-138.061 1.00 0.30 C ATOM 740 C LYS A 60 59.531 45.799-139.311 1.00 0.29 C ATOM 741 O LYS A 60 58.735 46.294-140.090 1.00 0.31 O ATOM 742 CB LYS A 60 59.103 45.963-136.829 1.00 0.38 C ATOM 743 CG LYS A 60 60.279 46.934-136.927 1.00 0.42 C ATOM 744 CD LYS A 60 59.809 48.239-137.572 1.00 1.08 C ATOM 745 CE LYS A 60 59.469 49.256-136.481 1.00 1.53 C ATOM 746 NZ LYS A 60 58.596 48.614-135.458 1.00 2.27 N ATOM 0 H LYS A 60 60.273 43.705-136.917 1.00 0.27 H new ATOM 0 HA LYS A 60 58.033 44.717-138.184 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.169 46.519-136.750 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.193 45.362-135.924 1.00 0.38 H new ATOM 0 HG2 LYS A 60 60.685 47.132-135.935 1.00 0.42 H new ATOM 0 HG3 LYS A 60 61.081 46.492-137.518 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.588 48.636-138.223 1.00 1.08 H new ATOM 0 HD3 LYS A 60 58.935 48.054-138.196 1.00 1.08 H new ATOM 0 HE2 LYS A 60 60.383 49.625-136.015 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.963 50.118-136.917 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.241 49.338-134.801 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 57.793 48.150-135.929 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 59.144 47.906-134.929 1.00 2.27 H new ATOM 760 N LYS A 61 60.820 45.851-139.537 1.00 0.28 N ATOM 761 CA LYS A 61 61.325 46.530-140.757 1.00 0.30 C ATOM 762 C LYS A 61 61.080 45.615-141.955 1.00 0.27 C ATOM 763 O LYS A 61 60.871 46.075-143.059 1.00 0.35 O ATOM 764 CB LYS A 61 62.822 46.814-140.638 1.00 0.35 C ATOM 765 CG LYS A 61 63.078 47.799-139.495 1.00 0.40 C ATOM 766 CD LYS A 61 62.817 49.226-139.982 1.00 0.77 C ATOM 767 CE LYS A 61 64.129 49.851-140.460 1.00 1.42 C ATOM 768 NZ LYS A 61 63.860 50.742-141.624 1.00 2.43 N ATOM 0 H LYS A 61 61.537 45.453-138.930 1.00 0.28 H new ATOM 0 HA LYS A 61 60.803 47.479-140.882 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.364 45.885-140.457 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.198 47.225-141.575 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.430 47.568-138.650 1.00 0.40 H new ATOM 0 HG3 LYS A 61 64.106 47.706-139.144 1.00 0.40 H new ATOM 0 HD2 LYS A 61 62.089 49.217-140.794 1.00 0.77 H new ATOM 0 HD3 LYS A 61 62.389 49.824-139.177 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.589 50.420-139.652 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.835 49.070-140.742 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 64.752 51.167-141.949 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 63.439 50.187-142.396 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 63.201 51.495-141.340 1.00 2.43 H new ATOM 782 N LEU A 62 61.063 44.319-141.748 1.00 0.24 N ATOM 783 CA LEU A 62 60.782 43.398-142.884 1.00 0.24 C ATOM 784 C LEU A 62 59.351 43.650-143.339 1.00 0.24 C ATOM 785 O LEU A 62 59.096 44.058-144.455 1.00 0.26 O ATOM 786 CB LEU A 62 60.875 41.943-142.416 1.00 0.24 C ATOM 787 CG LEU A 62 62.322 41.451-142.464 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.493 40.292-141.480 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.641 40.955-143.873 1.00 0.41 C ATOM 0 H LEU A 62 61.230 43.867-140.849 1.00 0.24 H new ATOM 0 HA LEU A 62 61.501 43.571-143.685 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.490 41.857-141.400 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.250 41.312-143.048 1.00 0.24 H new ATOM 0 HG LEU A 62 62.994 42.267-142.198 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.523 39.938-141.511 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.256 40.633-140.472 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.821 39.479-141.755 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.672 40.604-143.910 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.969 40.137-144.131 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.510 41.770-144.584 1.00 0.41 H new ATOM 801 N LYS A 63 58.414 43.402-142.464 1.00 0.24 N ATOM 802 CA LYS A 63 56.989 43.617-142.814 1.00 0.26 C ATOM 803 C LYS A 63 56.816 45.045-143.324 1.00 0.29 C ATOM 804 O LYS A 63 56.010 45.306-144.195 1.00 0.30 O ATOM 805 CB LYS A 63 56.114 43.413-141.573 1.00 0.34 C ATOM 806 CG LYS A 63 56.072 44.708-140.756 1.00 0.46 C ATOM 807 CD LYS A 63 55.235 44.494-139.495 1.00 0.41 C ATOM 808 CE LYS A 63 54.295 45.685-139.297 1.00 0.58 C ATOM 809 NZ LYS A 63 53.154 45.580-140.252 1.00 1.20 N ATOM 0 H LYS A 63 58.580 43.058-141.518 1.00 0.24 H new ATOM 0 HA LYS A 63 56.690 42.906-143.584 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.105 43.125-141.870 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.511 42.600-140.965 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.083 45.012-140.486 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.646 45.513-141.354 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.659 43.573-139.580 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.886 44.383-138.628 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.925 45.704-138.272 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.834 46.619-139.458 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.447 46.310-140.030 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.500 45.718-141.223 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 52.718 44.639-140.170 1.00 1.20 H new ATOM 823 N LEU A 64 57.563 45.980-142.792 1.00 0.33 N ATOM 824 CA LEU A 64 57.438 47.389-143.251 1.00 0.43 C ATOM 825 C LEU A 64 57.950 47.531-144.683 1.00 0.52 C ATOM 826 O LEU A 64 57.287 48.085-145.537 1.00 0.75 O ATOM 827 CB LEU A 64 58.272 48.272-142.320 1.00 0.38 C ATOM 828 CG LEU A 64 57.423 48.704-141.122 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.270 49.555-140.175 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.230 49.526-141.614 1.00 1.23 C ATOM 0 H LEU A 64 58.254 45.824-142.058 1.00 0.33 H new ATOM 0 HA LEU A 64 56.391 47.690-143.229 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.151 47.727-141.977 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.631 49.149-142.859 1.00 0.38 H new ATOM 0 HG LEU A 64 57.065 47.820-140.594 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.665 49.862-139.322 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.121 48.971-139.824 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.629 50.439-140.703 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.624 49.834-140.762 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.590 50.409-142.142 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.625 48.921-142.289 1.00 1.23 H new ATOM 842 N ASP A 65 59.129 47.050-144.951 1.00 0.45 N ATOM 843 CA ASP A 65 59.690 47.174-146.326 1.00 0.60 C ATOM 844 C ASP A 65 59.012 46.175-147.265 1.00 0.96 C ATOM 845 O ASP A 65 59.199 46.221-148.465 1.00 0.98 O ATOM 846 CB ASP A 65 61.193 46.891-146.287 1.00 0.53 C ATOM 847 CG ASP A 65 61.914 48.050-145.595 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.241 48.982-145.188 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.127 47.985-145.485 1.00 1.31 O ATOM 0 H ASP A 65 59.731 46.575-144.278 1.00 0.45 H new ATOM 0 HA ASP A 65 59.512 48.185-146.693 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.385 45.960-145.754 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.576 46.763-147.299 1.00 0.53 H new ATOM 854 N GLY A 66 58.225 45.275-146.743 1.00 1.30 N ATOM 855 CA GLY A 66 57.545 44.287-147.628 1.00 1.72 C ATOM 856 C GLY A 66 58.523 43.172-148.003 1.00 0.91 C ATOM 857 O GLY A 66 58.779 42.926-149.165 1.00 1.14 O ATOM 0 H GLY A 66 58.024 45.181-145.747 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.677 43.867-147.120 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.180 44.781-148.528 1.00 1.72 H new ATOM 861 N LEU A 67 59.068 42.489-147.032 1.00 0.37 N ATOM 862 CA LEU A 67 60.022 41.390-147.346 1.00 1.03 C ATOM 863 C LEU A 67 59.345 40.044-147.086 1.00 0.91 C ATOM 864 O LEU A 67 59.443 39.127-147.877 1.00 1.09 O ATOM 865 CB LEU A 67 61.264 41.525-146.467 1.00 1.69 C ATOM 866 CG LEU A 67 62.252 42.486-147.131 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.702 41.910-148.476 1.00 2.52 C ATOM 868 CD2 LEU A 67 61.572 43.838-147.359 1.00 2.68 C ATOM 0 H LEU A 67 58.894 42.645-146.039 1.00 0.37 H new ATOM 0 HA LEU A 67 60.318 41.449-148.393 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.986 41.895-145.480 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.729 40.550-146.322 1.00 1.69 H new ATOM 0 HG LEU A 67 63.119 42.618-146.484 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.406 42.595-148.948 1.00 2.52 H new ATOM 0 HD12 LEU A 67 63.186 40.947-148.316 1.00 2.52 H new ATOM 0 HD13 LEU A 67 61.835 41.777-149.123 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.275 44.524-147.832 1.00 2.68 H new ATOM 0 HD22 LEU A 67 60.705 43.705-148.005 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.252 44.250-146.402 1.00 2.68 H new ATOM 880 N ASP A 68 58.604 39.938-146.018 1.00 0.69 N ATOM 881 CA ASP A 68 57.852 38.686-145.730 1.00 0.59 C ATOM 882 C ASP A 68 56.376 39.024-145.932 1.00 0.59 C ATOM 883 O ASP A 68 55.831 39.813-145.186 1.00 0.59 O ATOM 884 CB ASP A 68 58.104 38.258-144.274 1.00 0.53 C ATOM 885 CG ASP A 68 57.874 36.754-144.135 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.899 36.074-145.148 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.675 36.306-143.017 1.00 0.97 O ATOM 0 H ASP A 68 58.487 40.676-145.324 1.00 0.69 H new ATOM 0 HA ASP A 68 58.163 37.867-146.379 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.124 38.509-143.982 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.438 38.801-143.604 1.00 0.53 H new ATOM 892 N GLU A 69 55.695 38.482-146.910 1.00 0.63 N ATOM 893 CA GLU A 69 54.264 38.852-147.080 1.00 0.69 C ATOM 894 C GLU A 69 53.369 37.918-146.267 1.00 0.71 C ATOM 895 O GLU A 69 52.167 38.088-146.226 1.00 0.77 O ATOM 896 CB GLU A 69 53.887 38.752-148.560 1.00 0.73 C ATOM 897 CG GLU A 69 54.068 37.310-149.038 1.00 0.75 C ATOM 898 CD GLU A 69 52.751 36.548-148.873 1.00 1.36 C ATOM 899 OE1 GLU A 69 51.874 37.060-148.197 1.00 2.06 O ATOM 900 OE2 GLU A 69 52.643 35.466-149.426 1.00 1.82 O ATOM 0 H GLU A 69 56.062 37.812-147.585 1.00 0.63 H new ATOM 0 HA GLU A 69 54.121 39.873-146.726 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.854 39.067-148.705 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.511 39.423-149.151 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.379 37.298-150.083 1.00 0.75 H new ATOM 0 HG3 GLU A 69 54.857 36.822-148.465 1.00 0.75 H new ATOM 907 N ASP A 70 53.929 36.938-145.614 1.00 0.72 N ATOM 908 CA ASP A 70 53.086 36.014-144.807 1.00 0.78 C ATOM 909 C ASP A 70 53.528 36.115-143.353 1.00 0.69 C ATOM 910 O ASP A 70 52.984 35.477-142.473 1.00 0.84 O ATOM 911 CB ASP A 70 53.271 34.579-145.305 1.00 0.83 C ATOM 912 CG ASP A 70 52.790 34.474-146.753 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.748 35.032-147.052 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.472 33.837-147.538 1.00 1.34 O ATOM 0 H ASP A 70 54.929 36.738-145.604 1.00 0.72 H new ATOM 0 HA ASP A 70 52.034 36.284-144.901 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.320 34.292-145.238 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.711 33.889-144.674 1.00 0.83 H new ATOM 919 N GLY A 71 54.506 36.935-143.098 1.00 0.50 N ATOM 920 CA GLY A 71 54.995 37.120-141.709 1.00 0.43 C ATOM 921 C GLY A 71 55.669 35.847-141.193 1.00 0.34 C ATOM 922 O GLY A 71 55.783 35.654-140.000 1.00 0.31 O ATOM 0 H GLY A 71 54.992 37.491-143.802 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.701 37.949-141.675 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.162 37.384-141.058 1.00 0.43 H new ATOM 926 N GLU A 72 56.132 34.971-142.051 1.00 0.36 N ATOM 927 CA GLU A 72 56.798 33.749-141.516 1.00 0.34 C ATOM 928 C GLU A 72 58.021 34.205-140.721 1.00 0.30 C ATOM 929 O GLU A 72 58.204 33.845-139.578 1.00 0.30 O ATOM 930 CB GLU A 72 57.223 32.836-142.671 1.00 0.40 C ATOM 931 CG GLU A 72 58.571 33.296-143.234 1.00 1.23 C ATOM 932 CD GLU A 72 58.931 32.444-144.453 1.00 1.97 C ATOM 933 OE1 GLU A 72 59.515 31.390-144.262 1.00 2.68 O ATOM 934 OE2 GLU A 72 58.616 32.860-145.556 1.00 2.64 O ATOM 0 H GLU A 72 56.080 35.046-143.067 1.00 0.36 H new ATOM 0 HA GLU A 72 56.118 33.186-140.877 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.298 31.806-142.323 1.00 0.40 H new ATOM 0 HB3 GLU A 72 56.467 32.853-143.456 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.520 34.348-143.514 1.00 1.23 H new ATOM 0 HG3 GLU A 72 59.345 33.206-142.472 1.00 1.23 H new ATOM 941 N LYS A 73 58.855 35.009-141.318 1.00 0.31 N ATOM 942 CA LYS A 73 60.051 35.497-140.582 1.00 0.33 C ATOM 943 C LYS A 73 59.573 35.945-139.203 1.00 0.29 C ATOM 944 O LYS A 73 60.276 35.850-138.207 1.00 0.29 O ATOM 945 CB LYS A 73 60.676 36.674-141.336 1.00 0.38 C ATOM 946 CG LYS A 73 61.002 36.248-142.769 1.00 0.55 C ATOM 947 CD LYS A 73 61.825 37.341-143.453 1.00 1.07 C ATOM 948 CE LYS A 73 63.303 37.163-143.101 1.00 1.38 C ATOM 949 NZ LYS A 73 64.119 38.147-143.866 1.00 2.36 N ATOM 0 H LYS A 73 58.761 35.347-142.276 1.00 0.31 H new ATOM 0 HA LYS A 73 60.806 34.716-140.492 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.989 37.520-141.344 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.582 37.004-140.829 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.557 35.310-142.763 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.081 36.070-143.325 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.689 37.291-144.533 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.480 38.324-143.133 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.452 37.305-142.031 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.624 36.148-143.336 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.925 37.661-144.307 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.532 38.585-144.605 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 64.470 38.883-143.221 1.00 2.36 H new ATOM 963 N GLU A 74 58.332 36.341-139.134 1.00 0.28 N ATOM 964 CA GLU A 74 57.734 36.714-137.829 1.00 0.28 C ATOM 965 C GLU A 74 57.405 35.397-137.142 1.00 0.26 C ATOM 966 O GLU A 74 57.544 35.233-135.963 1.00 0.27 O ATOM 967 CB GLU A 74 56.451 37.508-138.055 1.00 0.31 C ATOM 968 CG GLU A 74 56.187 38.392-136.841 1.00 0.37 C ATOM 969 CD GLU A 74 54.690 38.404-136.529 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.921 38.017-137.395 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.336 38.800-135.431 1.00 1.14 O ATOM 0 H GLU A 74 57.705 36.422-139.934 1.00 0.28 H new ATOM 0 HA GLU A 74 58.409 37.330-137.234 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.541 38.120-138.952 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.613 36.830-138.215 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.745 38.021-135.981 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.536 39.406-137.035 1.00 0.37 H new ATOM 978 N ALA A 75 56.977 34.462-137.929 1.00 0.25 N ATOM 979 CA ALA A 75 56.651 33.124-137.377 1.00 0.27 C ATOM 980 C ALA A 75 57.916 32.616-136.709 1.00 0.26 C ATOM 981 O ALA A 75 57.968 32.463-135.512 1.00 0.27 O ATOM 982 CB ALA A 75 56.213 32.171-138.490 1.00 0.30 C ATOM 0 H ALA A 75 56.837 34.564-138.934 1.00 0.25 H new ATOM 0 HA ALA A 75 55.826 33.184-136.667 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.979 31.196-138.063 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.329 32.572-138.985 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.019 32.065-139.216 1.00 0.30 H new ATOM 988 N ARG A 76 58.940 32.355-137.462 1.00 0.28 N ATOM 989 CA ARG A 76 60.190 31.861-136.830 1.00 0.31 C ATOM 990 C ARG A 76 60.485 32.720-135.604 1.00 0.28 C ATOM 991 O ARG A 76 60.735 32.220-134.526 1.00 0.30 O ATOM 992 CB ARG A 76 61.348 31.960-137.824 1.00 0.35 C ATOM 993 CG ARG A 76 61.151 30.936-138.943 1.00 0.66 C ATOM 994 CD ARG A 76 62.390 30.915-139.840 1.00 1.00 C ATOM 995 NE ARG A 76 62.120 30.072-141.039 1.00 1.51 N ATOM 996 CZ ARG A 76 62.908 30.142-142.076 1.00 2.03 C ATOM 997 NH1 ARG A 76 63.934 30.950-142.063 1.00 2.34 N ATOM 998 NH2 ARG A 76 62.672 29.405-143.127 1.00 3.14 N ATOM 0 H ARG A 76 58.969 32.460-138.476 1.00 0.28 H new ATOM 0 HA ARG A 76 60.072 30.818-136.535 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.397 32.966-138.242 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.295 31.780-137.315 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.979 29.947-138.519 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.268 31.189-139.530 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.648 31.929-140.146 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.244 30.521-139.290 1.00 1.00 H new ATOM 0 HE ARG A 76 61.319 29.440-141.049 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.119 31.526-141.242 1.00 2.34 H new ATOM 0 HH12 ARG A 76 64.550 31.005-142.874 1.00 2.34 H new ATOM 0 HH21 ARG A 76 61.871 28.774-143.138 1.00 3.14 H new ATOM 0 HH22 ARG A 76 63.289 29.460-143.938 1.00 3.14 H new ATOM 1012 N LEU A 77 60.459 34.013-135.761 1.00 0.30 N ATOM 1013 CA LEU A 77 60.739 34.898-134.594 1.00 0.31 C ATOM 1014 C LEU A 77 59.794 34.537-133.444 1.00 0.29 C ATOM 1015 O LEU A 77 60.219 34.178-132.365 1.00 0.30 O ATOM 1016 CB LEU A 77 60.539 36.357-134.999 1.00 0.35 C ATOM 1017 CG LEU A 77 61.830 36.882-135.627 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.517 38.092-136.503 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.810 37.292-134.523 1.00 0.38 C ATOM 0 H LEU A 77 60.258 34.494-136.638 1.00 0.30 H new ATOM 0 HA LEU A 77 61.769 34.759-134.267 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.715 36.441-135.707 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.273 36.956-134.128 1.00 0.35 H new ATOM 0 HG LEU A 77 62.278 36.098-136.237 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.438 38.465-136.950 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.823 37.801-137.291 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.066 38.875-135.894 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.730 37.666-134.973 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.362 38.074-133.911 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.037 36.428-133.899 1.00 0.38 H new ATOM 1031 N ILE A 78 58.517 34.623-133.677 1.00 0.29 N ATOM 1032 CA ILE A 78 57.523 34.281-132.621 1.00 0.32 C ATOM 1033 C ILE A 78 57.865 32.918-132.038 1.00 0.30 C ATOM 1034 O ILE A 78 57.895 32.732-130.847 1.00 0.32 O ATOM 1035 CB ILE A 78 56.131 34.228-133.235 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.737 35.634-133.666 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.131 33.709-132.200 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.795 35.547-134.859 1.00 0.37 C ATOM 0 H ILE A 78 58.113 34.919-134.565 1.00 0.29 H new ATOM 0 HA ILE A 78 57.547 35.037-131.836 1.00 0.32 H new ATOM 0 HB ILE A 78 56.129 33.559-134.096 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.252 36.157-132.842 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.625 36.209-133.930 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.136 33.672-132.642 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.424 32.709-131.881 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.120 34.376-131.338 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.510 36.552-135.171 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.297 35.040-135.683 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.903 34.988-134.578 1.00 0.37 H new ATOM 1050 N ARG A 79 58.156 31.975-132.882 1.00 0.29 N ATOM 1051 CA ARG A 79 58.539 30.626-132.371 1.00 0.32 C ATOM 1052 C ARG A 79 59.810 30.792-131.535 1.00 0.26 C ATOM 1053 O ARG A 79 60.054 30.061-130.597 1.00 0.26 O ATOM 1054 CB ARG A 79 58.806 29.680-133.544 1.00 0.38 C ATOM 1055 CG ARG A 79 59.767 28.574-133.101 1.00 0.39 C ATOM 1056 CD ARG A 79 59.549 27.331-133.965 1.00 0.39 C ATOM 1057 NE ARG A 79 60.051 27.591-135.344 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.244 26.596-136.166 1.00 2.14 C ATOM 1059 NH1 ARG A 79 59.997 25.374-135.781 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.683 26.823-137.374 1.00 3.27 N ATOM 0 H ARG A 79 58.147 32.073-133.897 1.00 0.29 H new ATOM 0 HA ARG A 79 57.736 30.203-131.767 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.870 29.244-133.894 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.232 30.233-134.381 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.798 28.916-133.191 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.602 28.333-132.051 1.00 0.39 H new ATOM 0 HD2 ARG A 79 60.070 26.478-133.531 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.490 27.076-133.994 1.00 0.39 H new ATOM 0 HE ARG A 79 60.244 28.546-135.645 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.653 25.196-134.837 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.148 24.596-136.424 1.00 2.28 H new ATOM 0 HH21 ARG A 79 60.875 27.778-137.676 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.834 26.045-138.016 1.00 3.27 H new ATOM 1074 N ASN A 80 60.610 31.778-131.858 1.00 0.23 N ATOM 1075 CA ASN A 80 61.849 32.026-131.069 1.00 0.21 C ATOM 1076 C ASN A 80 61.452 32.739-129.781 1.00 0.21 C ATOM 1077 O ASN A 80 62.124 32.650-128.772 1.00 0.22 O ATOM 1078 CB ASN A 80 62.812 32.901-131.874 1.00 0.23 C ATOM 1079 CG ASN A 80 62.925 32.360-133.300 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.511 31.252-133.576 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.471 33.101-134.225 1.00 1.15 N ATOM 0 H ASN A 80 60.456 32.421-132.635 1.00 0.23 H new ATOM 0 HA ASN A 80 62.348 31.084-130.841 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.455 33.931-131.892 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.793 32.912-131.399 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.550 32.750-135.179 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.819 34.032-133.994 1.00 1.15 H new ATOM 1088 N LEU A 81 60.318 33.385-129.791 1.00 0.23 N ATOM 1089 CA LEU A 81 59.832 34.033-128.549 1.00 0.28 C ATOM 1090 C LEU A 81 59.267 32.901-127.711 1.00 0.30 C ATOM 1091 O LEU A 81 59.664 32.665-126.593 1.00 0.31 O ATOM 1092 CB LEU A 81 58.723 35.041-128.874 1.00 0.35 C ATOM 1093 CG LEU A 81 59.338 36.398-129.224 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.204 36.883-128.060 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.198 36.257-130.480 1.00 1.26 C ATOM 0 H LEU A 81 59.712 33.490-130.605 1.00 0.23 H new ATOM 0 HA LEU A 81 60.625 34.576-128.035 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.123 34.678-129.708 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.053 35.145-128.021 1.00 0.35 H new ATOM 0 HG LEU A 81 58.544 37.121-129.408 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.642 37.849-128.310 1.00 1.28 H new ATOM 0 HD12 LEU A 81 59.589 36.984-127.166 1.00 1.28 H new ATOM 0 HD13 LEU A 81 61.000 36.162-127.873 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.637 37.223-130.731 1.00 1.26 H new ATOM 0 HD22 LEU A 81 60.993 35.534-130.297 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.578 35.914-131.309 1.00 1.26 H new ATOM 1107 N ASN A 82 58.373 32.167-128.299 1.00 0.35 N ATOM 1108 CA ASN A 82 57.781 30.993-127.626 1.00 0.42 C ATOM 1109 C ASN A 82 58.903 30.185-126.986 1.00 0.37 C ATOM 1110 O ASN A 82 58.948 30.010-125.786 1.00 0.38 O ATOM 1111 CB ASN A 82 57.057 30.163-128.694 1.00 0.51 C ATOM 1112 CG ASN A 82 55.621 30.665-128.848 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.708 29.882-129.032 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.378 31.945-128.779 1.00 0.98 N ATOM 0 H ASN A 82 58.021 32.338-129.241 1.00 0.35 H new ATOM 0 HA ASN A 82 57.075 31.286-126.849 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.583 30.238-129.646 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.057 29.110-128.412 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.423 32.289-128.879 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.143 32.602-128.625 1.00 0.98 H new ATOM 1121 N VAL A 83 59.825 29.711-127.772 1.00 0.35 N ATOM 1122 CA VAL A 83 60.957 28.937-127.199 1.00 0.36 C ATOM 1123 C VAL A 83 61.582 29.763-126.073 1.00 0.32 C ATOM 1124 O VAL A 83 61.728 29.305-124.961 1.00 0.35 O ATOM 1125 CB VAL A 83 62.003 28.676-128.285 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.124 27.805-127.718 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.343 27.956-129.463 1.00 0.44 C ATOM 0 H VAL A 83 59.844 29.826-128.785 1.00 0.35 H new ATOM 0 HA VAL A 83 60.602 27.981-126.813 1.00 0.36 H new ATOM 0 HB VAL A 83 62.419 29.625-128.624 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.868 27.620-128.493 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.594 28.318-126.879 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.710 26.856-127.378 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.086 27.769-130.238 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.927 27.008-129.123 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.545 28.578-129.868 1.00 0.44 H new ATOM 1137 N ILE A 84 61.942 30.983-126.359 1.00 0.27 N ATOM 1138 CA ILE A 84 62.545 31.834-125.300 1.00 0.30 C ATOM 1139 C ILE A 84 61.714 31.682-124.025 1.00 0.31 C ATOM 1140 O ILE A 84 62.227 31.371-122.965 1.00 0.37 O ATOM 1141 CB ILE A 84 62.545 33.295-125.735 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.814 33.573-126.538 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.517 34.196-124.500 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.546 34.704-127.523 1.00 0.37 C ATOM 0 H ILE A 84 61.845 31.424-127.274 1.00 0.27 H new ATOM 0 HA ILE A 84 63.574 31.523-125.122 1.00 0.30 H new ATOM 0 HB ILE A 84 61.667 33.497-126.348 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.630 33.844-125.868 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.124 32.675-127.072 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.517 35.241-124.812 1.00 0.44 H new ATOM 0 HG22 ILE A 84 61.617 33.990-123.920 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.397 34.000-123.887 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.449 34.907-128.099 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.742 34.415-128.199 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.255 35.601-126.977 1.00 0.37 H new ATOM 1156 N LEU A 85 60.430 31.893-124.124 1.00 0.35 N ATOM 1157 CA LEU A 85 59.558 31.757-122.924 1.00 0.42 C ATOM 1158 C LEU A 85 59.681 30.341-122.374 1.00 0.42 C ATOM 1159 O LEU A 85 60.054 30.137-121.243 1.00 0.47 O ATOM 1160 CB LEU A 85 58.104 32.034-123.308 1.00 0.54 C ATOM 1161 CG LEU A 85 57.823 33.532-123.191 1.00 0.61 C ATOM 1162 CD1 LEU A 85 57.967 33.957-121.731 1.00 0.69 C ATOM 1163 CD2 LEU A 85 58.824 34.313-124.045 1.00 0.61 C ATOM 0 H LEU A 85 59.948 32.154-124.984 1.00 0.35 H new ATOM 0 HA LEU A 85 59.869 32.474-122.164 1.00 0.42 H new ATOM 0 HB2 LEU A 85 57.915 31.696-124.327 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.432 31.475-122.657 1.00 0.54 H new ATOM 0 HG LEU A 85 56.811 33.740-123.540 1.00 0.61 H new ATOM 0 HD11 LEU A 85 57.768 35.025-121.642 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.256 33.403-121.119 1.00 0.69 H new ATOM 0 HD13 LEU A 85 58.981 33.747-121.389 1.00 0.69 H new ATOM 0 HD21 LEU A 85 58.621 35.380-123.959 1.00 0.61 H new ATOM 0 HD22 LEU A 85 59.837 34.107-123.698 1.00 0.61 H new ATOM 0 HD23 LEU A 85 58.729 34.008-125.087 1.00 0.61 H new ATOM 1175 N ALA A 86 59.378 29.361-123.169 1.00 0.47 N ATOM 1176 CA ALA A 86 59.488 27.957-122.696 1.00 0.58 C ATOM 1177 C ALA A 86 60.889 27.730-122.119 1.00 0.59 C ATOM 1178 O ALA A 86 61.142 26.766-121.422 1.00 0.73 O ATOM 1179 CB ALA A 86 59.268 27.013-123.880 1.00 0.64 C ATOM 0 H ALA A 86 59.057 29.471-124.131 1.00 0.47 H new ATOM 0 HA ALA A 86 58.740 27.764-121.927 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.347 25.980-123.541 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.277 27.182-124.301 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.023 27.204-124.643 1.00 0.64 H new ATOM 1185 N LYS A 87 61.808 28.602-122.434 1.00 0.50 N ATOM 1186 CA LYS A 87 63.209 28.448-121.946 1.00 0.60 C ATOM 1187 C LYS A 87 63.354 29.018-120.540 1.00 0.58 C ATOM 1188 O LYS A 87 63.905 28.389-119.659 1.00 0.71 O ATOM 1189 CB LYS A 87 64.136 29.212-122.883 1.00 0.61 C ATOM 1190 CG LYS A 87 65.543 28.612-122.816 1.00 0.82 C ATOM 1191 CD LYS A 87 66.501 29.464-123.653 1.00 0.99 C ATOM 1192 CE LYS A 87 67.897 28.838-123.622 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.845 29.704-124.377 1.00 2.02 N ATOM 0 H LYS A 87 61.646 29.424-123.015 1.00 0.50 H new ATOM 0 HA LYS A 87 63.464 27.388-121.925 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.758 29.164-123.904 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.165 30.265-122.603 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.884 28.572-121.782 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.531 27.587-123.188 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.143 29.531-124.680 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.538 30.481-123.262 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.233 28.724-122.592 1.00 1.63 H new ATOM 0 HE3 LYS A 87 67.870 27.841-124.061 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.794 29.280-124.357 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.526 29.791-125.363 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.878 30.647-123.939 1.00 2.02 H new ATOM 1207 N TYR A 88 62.859 30.199-120.318 1.00 0.45 N ATOM 1208 CA TYR A 88 62.971 30.793-118.958 1.00 0.47 C ATOM 1209 C TYR A 88 61.856 30.220-118.099 1.00 0.54 C ATOM 1210 O TYR A 88 61.935 30.174-116.887 1.00 0.58 O ATOM 1211 CB TYR A 88 62.853 32.315-119.049 1.00 0.44 C ATOM 1212 CG TYR A 88 64.160 32.870-119.561 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.250 33.005-118.692 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.289 33.236-120.906 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.466 33.507-119.167 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.506 33.736-121.382 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.595 33.872-120.512 1.00 0.61 C ATOM 1218 OH TYR A 88 67.796 34.364-120.982 1.00 0.73 O ATOM 0 H TYR A 88 62.385 30.777-121.012 1.00 0.45 H new ATOM 0 HA TYR A 88 63.937 30.554-118.513 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.037 32.592-119.717 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.621 32.736-118.071 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.152 32.721-117.655 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.449 33.132-121.577 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.305 33.613-118.496 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.606 34.017-122.420 1.00 0.62 H new ATOM 0 HH TYR A 88 67.921 34.086-121.913 1.00 0.73 H new ATOM 1228 N GLY A 89 60.815 29.797-118.738 1.00 0.59 N ATOM 1229 CA GLY A 89 59.661 29.231-117.994 1.00 0.69 C ATOM 1230 C GLY A 89 58.745 30.375-117.569 1.00 0.77 C ATOM 1231 O GLY A 89 58.245 30.409-116.463 1.00 1.09 O ATOM 0 H GLY A 89 60.708 29.817-119.752 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.117 28.524-118.621 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.008 28.680-117.120 1.00 0.69 H new ATOM 1235 N LEU A 90 58.504 31.301-118.454 1.00 0.65 N ATOM 1236 CA LEU A 90 57.600 32.436-118.124 1.00 0.75 C ATOM 1237 C LEU A 90 56.268 32.211-118.838 1.00 0.80 C ATOM 1238 O LEU A 90 55.206 32.381-118.272 1.00 1.31 O ATOM 1239 CB LEU A 90 58.223 33.743-118.617 1.00 0.82 C ATOM 1240 CG LEU A 90 58.397 34.708-117.446 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.394 35.799-117.836 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.046 35.346-117.113 1.00 1.68 C ATOM 0 H LEU A 90 58.896 31.320-119.395 1.00 0.65 H new ATOM 0 HA LEU A 90 57.448 32.495-117.046 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.188 33.543-119.082 1.00 0.82 H new ATOM 0 HB3 LEU A 90 57.589 34.194-119.380 1.00 0.82 H new ATOM 0 HG LEU A 90 58.770 34.168-116.575 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.521 36.490-117.003 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.354 35.344-118.080 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.019 36.342-118.704 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.165 36.036-116.277 1.00 1.68 H new ATOM 0 HD22 LEU A 90 56.676 35.890-117.982 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.333 34.567-116.842 1.00 1.68 H new