USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=4 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= -12! C(o=-14!,f=-20!) USER MOD Set 1.2: A 80 ASN : amide:sc= -2.08! K(o=-14!,f=-12) USER MOD Single : A 22 MET CE :methyl 151:sc= -1.22 (180deg=-2.64!) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= -3.22! (180deg=-3.49!) USER MOD Single : A 26 ASN : amide:sc= -4.38! C(o=-4.4!,f=-14!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.047) USER MOD Single : A 36 HIS : no HD1:sc= -4.65! C(o=-4.7!,f=-1.9!) USER MOD Single : A 46 HIS : no HD1:sc= -5.47! K(o=-5.5!,f=-1.8) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= -2.74! (180deg=-4.53!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0495 X(o=-0.05,f=-0.24) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 165:sc= -10.1! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.500 49.955-123.600 1.00 0.57 N ATOM 24 CA GLU A 19 64.649 49.127-124.064 1.00 0.55 C ATOM 25 C GLU A 19 64.527 48.883-125.569 1.00 0.56 C ATOM 26 O GLU A 19 65.443 49.130-126.327 1.00 0.63 O ATOM 27 CB GLU A 19 64.643 47.788-123.317 1.00 0.45 C ATOM 28 CG GLU A 19 63.223 47.215-123.284 1.00 0.38 C ATOM 29 CD GLU A 19 62.308 48.152-122.492 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.816 48.863-121.640 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.116 48.141-122.750 1.00 2.06 O ATOM 0 HA GLU A 19 65.584 49.649-123.861 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.317 47.085-123.807 1.00 0.45 H new ATOM 0 HB3 GLU A 19 65.012 47.927-122.301 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.845 47.094-124.299 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.230 46.226-122.827 1.00 0.38 H new ATOM 38 N PHE A 20 63.399 48.403-126.001 1.00 0.51 N ATOM 39 CA PHE A 20 63.196 48.143-127.454 1.00 0.54 C ATOM 40 C PHE A 20 62.087 49.072-127.936 1.00 0.55 C ATOM 41 O PHE A 20 61.607 49.896-127.183 1.00 0.57 O ATOM 42 CB PHE A 20 62.771 46.687-127.644 1.00 0.52 C ATOM 43 CG PHE A 20 63.658 45.803-126.804 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.999 45.606-127.153 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.135 45.187-125.662 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.816 44.790-126.358 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.949 44.375-124.866 1.00 0.51 C ATOM 48 CZ PHE A 20 65.290 44.175-125.213 1.00 0.56 C ATOM 0 H PHE A 20 62.601 48.177-125.407 1.00 0.51 H new ATOM 0 HA PHE A 20 64.112 48.321-128.018 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.728 46.558-127.354 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.847 46.407-128.695 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.404 46.082-128.034 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.100 45.339-125.394 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.850 44.635-126.627 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.543 43.902-123.984 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.919 43.547-124.599 1.00 0.56 H new ATOM 58 N ARG A 21 61.652 48.969-129.163 1.00 0.57 N ATOM 59 CA ARG A 21 60.561 49.869-129.631 1.00 0.60 C ATOM 60 C ARG A 21 59.395 48.990-130.064 1.00 0.57 C ATOM 61 O ARG A 21 58.437 49.433-130.666 1.00 0.59 O ATOM 62 CB ARG A 21 61.053 50.673-130.829 1.00 0.69 C ATOM 63 CG ARG A 21 62.299 51.470-130.436 1.00 0.74 C ATOM 64 CD ARG A 21 63.538 50.586-130.584 1.00 0.82 C ATOM 65 NE ARG A 21 64.394 50.709-129.366 1.00 1.35 N ATOM 66 CZ ARG A 21 64.584 51.872-128.802 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.078 52.953-129.333 1.00 2.06 N ATOM 68 NH2 ARG A 21 65.297 51.956-127.712 1.00 2.72 N ATOM 0 H ARG A 21 62.002 48.307-129.855 1.00 0.57 H new ATOM 0 HA ARG A 21 60.258 50.554-128.839 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.283 50.004-131.659 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.270 51.349-131.172 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.392 52.354-131.067 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.210 51.821-129.408 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.240 49.547-130.727 1.00 0.82 H new ATOM 0 HD3 ARG A 21 64.103 50.881-131.468 1.00 0.82 H new ATOM 0 HE ARG A 21 64.834 49.878-128.971 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.532 52.892-130.192 1.00 2.06 H new ATOM 0 HH12 ARG A 21 64.229 53.858-128.889 1.00 2.06 H new ATOM 0 HH21 ARG A 21 65.704 51.115-127.303 1.00 2.72 H new ATOM 0 HH22 ARG A 21 65.447 52.863-127.269 1.00 2.72 H new ATOM 82 N MET A 22 59.489 47.739-129.736 1.00 0.54 N ATOM 83 CA MET A 22 58.413 46.775-130.085 1.00 0.55 C ATOM 84 C MET A 22 57.559 46.533-128.843 1.00 0.49 C ATOM 85 O MET A 22 58.069 46.271-127.772 1.00 0.63 O ATOM 86 CB MET A 22 59.041 45.461-130.543 1.00 0.61 C ATOM 87 CG MET A 22 59.581 45.616-131.966 1.00 0.71 C ATOM 88 SD MET A 22 58.414 44.883-133.139 1.00 1.14 S ATOM 89 CE MET A 22 57.233 46.254-133.171 1.00 1.25 C ATOM 0 H MET A 22 60.278 47.334-129.232 1.00 0.54 H new ATOM 0 HA MET A 22 57.794 47.173-130.889 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.847 45.177-129.867 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.301 44.662-130.510 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.730 46.671-132.197 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.553 45.130-132.052 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.736 46.283-134.141 1.00 1.25 H new ATOM 0 HE2 MET A 22 56.490 46.113-132.386 1.00 1.25 H new ATOM 0 HE3 MET A 22 57.761 47.193-133.006 1.00 1.25 H new ATOM 99 N GLU A 23 56.268 46.634-128.967 1.00 0.47 N ATOM 100 CA GLU A 23 55.398 46.426-127.779 1.00 0.46 C ATOM 101 C GLU A 23 55.580 45.010-127.232 1.00 0.50 C ATOM 102 O GLU A 23 55.700 44.816-126.041 1.00 0.50 O ATOM 103 CB GLU A 23 53.935 46.646-128.167 1.00 0.50 C ATOM 104 CG GLU A 23 53.708 48.123-128.495 1.00 1.45 C ATOM 105 CD GLU A 23 53.852 48.957-127.221 1.00 2.02 C ATOM 106 OE1 GLU A 23 53.830 48.375-126.149 1.00 2.68 O ATOM 107 OE2 GLU A 23 53.984 50.165-127.339 1.00 2.48 O ATOM 0 H GLU A 23 55.778 46.851-129.835 1.00 0.47 H new ATOM 0 HA GLU A 23 55.679 47.141-127.006 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.680 46.028-129.028 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.282 46.340-127.350 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.428 48.455-129.243 1.00 1.45 H new ATOM 0 HG3 GLU A 23 52.716 48.263-128.924 1.00 1.45 H new ATOM 114 N LYS A 24 55.600 44.015-128.076 1.00 0.54 N ATOM 115 CA LYS A 24 55.773 42.627-127.566 1.00 0.59 C ATOM 116 C LYS A 24 57.037 42.551-126.714 1.00 0.53 C ATOM 117 O LYS A 24 57.021 42.065-125.601 1.00 0.55 O ATOM 118 CB LYS A 24 55.898 41.663-128.748 1.00 0.67 C ATOM 119 CG LYS A 24 57.004 42.151-129.685 1.00 0.64 C ATOM 120 CD LYS A 24 56.945 41.369-130.998 1.00 0.77 C ATOM 121 CE LYS A 24 56.085 42.132-132.008 1.00 1.46 C ATOM 122 NZ LYS A 24 54.867 42.654-131.328 1.00 2.09 N ATOM 0 H LYS A 24 55.505 44.102-129.088 1.00 0.54 H new ATOM 0 HA LYS A 24 54.909 42.352-126.960 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.126 40.659-128.390 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.951 41.603-129.285 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.886 43.217-129.879 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.978 42.019-129.214 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.950 41.227-131.394 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.527 40.377-130.825 1.00 0.77 H new ATOM 0 HE2 LYS A 24 56.655 42.955-132.439 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.802 41.475-132.831 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 54.182 42.976-132.041 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 54.440 41.899-130.754 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 55.127 43.451-130.713 1.00 2.09 H new ATOM 136 N LEU A 25 58.134 43.028-127.229 1.00 0.47 N ATOM 137 CA LEU A 25 59.407 42.988-126.455 1.00 0.42 C ATOM 138 C LEU A 25 59.258 43.811-125.179 1.00 0.39 C ATOM 139 O LEU A 25 59.481 43.333-124.092 1.00 0.55 O ATOM 140 CB LEU A 25 60.523 43.597-127.303 1.00 0.43 C ATOM 141 CG LEU A 25 61.134 42.537-128.219 1.00 0.57 C ATOM 142 CD1 LEU A 25 60.842 42.891-129.679 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.646 42.508-127.999 1.00 1.03 C ATOM 0 H LEU A 25 58.205 43.446-128.157 1.00 0.47 H new ATOM 0 HA LEU A 25 59.644 41.955-126.200 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.128 44.419-127.900 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.294 44.015-126.655 1.00 0.43 H new ATOM 0 HG LEU A 25 60.704 41.561-127.992 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.278 42.134-130.331 1.00 0.92 H new ATOM 0 HD12 LEU A 25 59.764 42.927-129.836 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.276 43.864-129.911 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.094 41.755-128.648 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.067 43.486-128.234 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.858 42.263-126.958 1.00 1.03 H new ATOM 155 N ASN A 26 58.882 45.049-125.311 1.00 0.39 N ATOM 156 CA ASN A 26 58.724 45.894-124.094 1.00 0.37 C ATOM 157 C ASN A 26 57.850 45.128-123.102 1.00 0.40 C ATOM 158 O ASN A 26 58.231 44.866-121.978 1.00 0.40 O ATOM 159 CB ASN A 26 58.053 47.219-124.453 1.00 0.41 C ATOM 160 CG ASN A 26 58.739 47.820-125.681 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.499 47.153-126.354 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.504 49.063-126.001 1.00 0.45 N ATOM 0 H ASN A 26 58.679 45.511-126.197 1.00 0.39 H new ATOM 0 HA ASN A 26 59.700 46.111-123.660 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.994 47.060-124.656 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.116 47.911-123.613 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.958 49.474-126.816 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.866 49.623-125.436 1.00 0.45 H new ATOM 169 N GLN A 27 56.676 44.775-123.529 1.00 0.44 N ATOM 170 CA GLN A 27 55.744 44.026-122.647 1.00 0.50 C ATOM 171 C GLN A 27 56.486 42.859-121.993 1.00 0.47 C ATOM 172 O GLN A 27 56.446 42.684-120.790 1.00 0.48 O ATOM 173 CB GLN A 27 54.578 43.488-123.478 1.00 0.59 C ATOM 174 CG GLN A 27 53.563 44.606-123.722 1.00 0.58 C ATOM 175 CD GLN A 27 52.587 44.676-122.546 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.701 45.540-121.698 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.627 43.799-122.457 1.00 2.02 N ATOM 0 H GLN A 27 56.317 44.975-124.462 1.00 0.44 H new ATOM 0 HA GLN A 27 55.362 44.692-121.873 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.944 43.101-124.429 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.101 42.657-122.959 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.078 45.560-123.838 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.020 44.422-124.649 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.531 43.074-123.168 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.972 43.838-121.676 1.00 2.02 H new ATOM 186 N LEU A 28 57.141 42.041-122.772 1.00 0.47 N ATOM 187 CA LEU A 28 57.858 40.864-122.194 1.00 0.47 C ATOM 188 C LEU A 28 58.982 41.315-121.263 1.00 0.39 C ATOM 189 O LEU A 28 59.144 40.788-120.180 1.00 0.50 O ATOM 190 CB LEU A 28 58.450 40.028-123.331 1.00 0.50 C ATOM 191 CG LEU A 28 57.404 39.030-123.829 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.840 38.464-125.181 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.267 37.888-122.818 1.00 1.21 C ATOM 0 H LEU A 28 57.212 42.136-123.785 1.00 0.47 H new ATOM 0 HA LEU A 28 57.147 40.271-121.619 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.766 40.677-124.147 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.337 39.498-122.983 1.00 0.50 H new ATOM 0 HG LEU A 28 56.445 39.535-123.940 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.094 37.753-125.535 1.00 1.41 H new ATOM 0 HD12 LEU A 28 57.938 39.276-125.901 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.800 37.959-125.072 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.522 37.176-123.172 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.227 37.383-122.707 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.955 38.291-121.854 1.00 1.21 H new ATOM 205 N TRP A 29 59.761 42.282-121.659 1.00 0.37 N ATOM 206 CA TRP A 29 60.864 42.753-120.784 1.00 0.30 C ATOM 207 C TRP A 29 60.263 43.230-119.468 1.00 0.36 C ATOM 208 O TRP A 29 60.535 42.691-118.410 1.00 0.39 O ATOM 209 CB TRP A 29 61.550 43.914-121.505 1.00 0.32 C ATOM 210 CG TRP A 29 62.720 44.420-120.732 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.954 45.723-120.495 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.819 43.685-120.115 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.118 45.848-119.771 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.691 44.621-119.508 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.147 42.319-120.017 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.839 44.222-118.832 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.305 41.915-119.334 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.147 42.867-118.743 1.00 0.41 C ATOM 0 H TRP A 29 59.679 42.766-122.553 1.00 0.37 H new ATOM 0 HA TRP A 29 61.585 41.962-120.578 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.878 43.588-122.492 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.835 44.723-121.657 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.328 46.541-120.821 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.509 46.739-119.466 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.504 41.578-120.470 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.487 44.958-118.379 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.548 40.865-119.264 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.036 42.549-118.218 1.00 0.41 H new ATOM 229 N GLU A 30 59.446 44.239-119.530 1.00 0.45 N ATOM 230 CA GLU A 30 58.825 44.747-118.285 1.00 0.56 C ATOM 231 C GLU A 30 58.342 43.540-117.486 1.00 0.50 C ATOM 232 O GLU A 30 58.549 43.443-116.294 1.00 0.52 O ATOM 233 CB GLU A 30 57.635 45.646-118.632 1.00 0.68 C ATOM 234 CG GLU A 30 58.127 47.077-118.866 1.00 0.86 C ATOM 235 CD GLU A 30 56.933 47.982-119.176 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.821 47.483-119.179 1.00 2.06 O ATOM 237 OE2 GLU A 30 57.154 49.160-119.406 1.00 2.33 O ATOM 0 H GLU A 30 59.183 44.730-120.384 1.00 0.45 H new ATOM 0 HA GLU A 30 59.543 45.329-117.707 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.132 45.273-119.524 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.905 45.629-117.823 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.653 47.441-117.984 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.837 47.098-119.692 1.00 0.86 H new ATOM 244 N LYS A 31 57.701 42.612-118.145 1.00 0.46 N ATOM 245 CA LYS A 31 57.205 41.402-117.437 1.00 0.45 C ATOM 246 C LYS A 31 58.365 40.722-116.704 1.00 0.43 C ATOM 247 O LYS A 31 58.268 40.415-115.532 1.00 0.46 O ATOM 248 CB LYS A 31 56.603 40.429-118.454 1.00 0.44 C ATOM 249 CG LYS A 31 55.183 40.056-118.026 1.00 0.91 C ATOM 250 CD LYS A 31 54.716 38.833-118.819 1.00 0.99 C ATOM 251 CE LYS A 31 54.833 39.118-120.318 1.00 1.36 C ATOM 252 NZ LYS A 31 53.722 38.435-121.040 1.00 2.08 N ATOM 0 H LYS A 31 57.500 42.642-119.145 1.00 0.46 H new ATOM 0 HA LYS A 31 56.443 41.693-116.714 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.588 40.885-119.444 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.220 39.533-118.525 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.158 39.841-116.958 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.508 40.894-118.198 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.319 37.964-118.556 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.684 38.594-118.563 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.793 40.192-120.499 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.795 38.767-120.692 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.800 38.628-122.059 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.780 37.410-120.876 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.810 38.791-120.689 1.00 2.08 H new ATOM 266 N ALA A 32 59.462 40.476-117.373 1.00 0.41 N ATOM 267 CA ALA A 32 60.600 39.810-116.678 1.00 0.41 C ATOM 268 C ALA A 32 61.000 40.634-115.465 1.00 0.41 C ATOM 269 O ALA A 32 61.012 40.141-114.354 1.00 0.42 O ATOM 270 CB ALA A 32 61.811 39.669-117.599 1.00 0.42 C ATOM 0 H ALA A 32 59.617 40.704-118.355 1.00 0.41 H new ATOM 0 HA ALA A 32 60.275 38.814-116.377 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.623 39.179-117.061 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.539 39.070-118.468 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.136 40.657-117.926 1.00 0.42 H new ATOM 276 N GLN A 33 61.321 41.890-115.634 1.00 0.43 N ATOM 277 CA GLN A 33 61.706 42.695-114.451 1.00 0.47 C ATOM 278 C GLN A 33 60.612 42.570-113.399 1.00 0.49 C ATOM 279 O GLN A 33 60.886 42.359-112.238 1.00 0.53 O ATOM 280 CB GLN A 33 61.887 44.157-114.863 1.00 0.51 C ATOM 281 CG GLN A 33 63.070 44.273-115.833 1.00 0.53 C ATOM 282 CD GLN A 33 63.075 45.665-116.465 1.00 0.75 C ATOM 283 OE1 GLN A 33 64.120 46.261-116.642 1.00 1.17 O ATOM 284 NE2 GLN A 33 61.944 46.214-116.816 1.00 1.23 N ATOM 0 H GLN A 33 61.332 42.382-116.527 1.00 0.43 H new ATOM 0 HA GLN A 33 62.648 42.333-114.038 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.978 44.528-115.336 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.063 44.775-113.982 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.007 44.099-115.304 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.995 43.510-116.608 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.067 45.715-116.668 1.00 1.23 H new ATOM 0 HE22 GLN A 33 61.937 47.142-117.238 1.00 1.23 H new ATOM 293 N ARG A 34 59.372 42.667-113.795 1.00 0.49 N ATOM 294 CA ARG A 34 58.276 42.517-112.799 1.00 0.52 C ATOM 295 C ARG A 34 58.519 41.213-112.051 1.00 0.52 C ATOM 296 O ARG A 34 58.348 41.118-110.853 1.00 0.55 O ATOM 297 CB ARG A 34 56.927 42.460-113.515 1.00 0.56 C ATOM 298 CG ARG A 34 56.238 43.823-113.419 1.00 0.67 C ATOM 299 CD ARG A 34 55.421 43.892-112.128 1.00 1.59 C ATOM 300 NE ARG A 34 54.199 43.050-112.269 1.00 1.96 N ATOM 301 CZ ARG A 34 53.508 42.721-111.212 1.00 2.81 C ATOM 302 NH1 ARG A 34 53.885 43.131-110.032 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.440 41.981-111.334 1.00 3.58 N ATOM 0 H ARG A 34 59.073 42.842-114.755 1.00 0.49 H new ATOM 0 HA ARG A 34 58.262 43.362-112.110 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.070 42.186-114.560 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.298 41.691-113.067 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.981 44.620-113.434 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.589 43.976-114.281 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.020 43.544-111.287 1.00 1.59 H new ATOM 0 HD3 ARG A 34 55.142 44.924-111.916 1.00 1.59 H new ATOM 0 HE ARG A 34 53.903 42.731-113.192 1.00 1.96 H new ATOM 0 HH11 ARG A 34 54.720 43.709-109.936 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.345 42.874-109.206 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.145 41.659-112.256 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.900 41.724-110.507 1.00 3.58 H new ATOM 317 N LEU A 35 58.972 40.225-112.763 1.00 0.50 N ATOM 318 CA LEU A 35 59.297 38.934-112.113 1.00 0.54 C ATOM 319 C LEU A 35 60.651 39.119-111.445 1.00 0.55 C ATOM 320 O LEU A 35 61.116 38.295-110.685 1.00 0.61 O ATOM 321 CB LEU A 35 59.386 37.823-113.162 1.00 0.57 C ATOM 322 CG LEU A 35 57.983 37.292-113.466 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.378 38.075-114.631 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.075 35.810-113.839 1.00 0.84 C ATOM 0 H LEU A 35 59.131 40.257-113.770 1.00 0.50 H new ATOM 0 HA LEU A 35 58.530 38.653-111.392 1.00 0.54 H new ATOM 0 HB2 LEU A 35 59.847 38.205-114.073 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.021 37.015-112.798 1.00 0.57 H new ATOM 0 HG LEU A 35 57.350 37.411-112.587 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.379 37.695-114.845 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.315 39.131-114.366 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.007 37.959-115.513 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.078 35.427-114.056 1.00 0.84 H new ATOM 0 HD22 LEU A 35 58.708 35.695-114.719 1.00 0.84 H new ATOM 0 HD23 LEU A 35 58.505 35.252-113.007 1.00 0.84 H new ATOM 336 N HIS A 36 61.282 40.221-111.746 1.00 0.53 N ATOM 337 CA HIS A 36 62.618 40.516-111.160 1.00 0.58 C ATOM 338 C HIS A 36 63.495 39.271-111.239 1.00 0.49 C ATOM 339 O HIS A 36 63.425 38.408-110.386 1.00 1.37 O ATOM 340 CB HIS A 36 62.464 40.919-109.691 1.00 0.98 C ATOM 341 CG HIS A 36 62.223 42.397-109.594 1.00 1.43 C ATOM 342 ND1 HIS A 36 63.157 43.267-109.054 1.00 1.89 N ATOM 343 CD2 HIS A 36 61.158 43.173-109.964 1.00 1.60 C ATOM 344 CE1 HIS A 36 62.638 44.507-109.114 1.00 2.32 C ATOM 345 NE2 HIS A 36 61.420 44.506-109.662 1.00 2.17 N ATOM 0 H HIS A 36 60.924 40.936-112.379 1.00 0.53 H new ATOM 0 HA HIS A 36 63.077 41.332-111.718 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.634 40.375-109.240 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.362 40.650-109.134 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.251 42.806-110.421 1.00 1.60 H new ATOM 0 HE1 HIS A 36 63.144 45.394-108.762 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.813 45.309-109.824 1.00 2.17 H new ATOM 353 N LEU A 37 64.342 39.160-112.228 1.00 0.59 N ATOM 354 CA LEU A 37 65.225 37.967-112.304 1.00 0.43 C ATOM 355 C LEU A 37 66.654 38.428-112.009 1.00 0.44 C ATOM 356 O LEU A 37 67.025 39.533-112.355 1.00 0.42 O ATOM 357 CB LEU A 37 65.181 37.367-113.712 1.00 0.53 C ATOM 358 CG LEU A 37 63.733 37.257-114.187 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.151 38.659-114.369 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.698 36.514-115.525 1.00 0.82 C ATOM 0 H LEU A 37 64.458 39.840-112.980 1.00 0.59 H new ATOM 0 HA LEU A 37 64.896 37.213-111.589 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.752 37.990-114.400 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.648 36.382-113.712 1.00 0.53 H new ATOM 0 HG LEU A 37 63.144 36.712-113.449 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.118 38.583-114.708 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.183 39.192-113.419 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.737 39.203-115.110 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.667 36.432-115.869 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.284 37.063-116.262 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.118 35.516-115.398 1.00 0.82 H new ATOM 372 N PRO A 38 67.462 37.609-111.395 1.00 0.57 N ATOM 373 CA PRO A 38 68.861 38.009-111.105 1.00 0.66 C ATOM 374 C PRO A 38 69.514 38.613-112.342 1.00 0.58 C ATOM 375 O PRO A 38 69.245 38.190-113.441 1.00 0.52 O ATOM 376 CB PRO A 38 69.514 36.676-110.742 1.00 0.81 C ATOM 377 CG PRO A 38 68.401 35.639-110.518 1.00 0.82 C ATOM 378 CD PRO A 38 67.061 36.248-110.961 1.00 0.69 C ATOM 0 HA PRO A 38 68.949 38.765-110.325 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.182 36.350-111.540 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.120 36.783-109.843 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.610 34.732-111.086 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.357 35.354-109.467 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.604 35.680-111.772 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.338 36.277-110.146 1.00 0.69 H new ATOM 386 N PRO A 39 70.359 39.589-112.181 1.00 0.62 N ATOM 387 CA PRO A 39 71.022 40.214-113.350 1.00 0.60 C ATOM 388 C PRO A 39 71.604 39.152-114.284 1.00 0.53 C ATOM 389 O PRO A 39 71.358 39.144-115.463 1.00 0.51 O ATOM 390 CB PRO A 39 72.123 41.048-112.692 1.00 0.74 C ATOM 391 CG PRO A 39 71.891 41.058-111.173 1.00 0.81 C ATOM 392 CD PRO A 39 70.718 40.125-110.846 1.00 0.74 C ATOM 0 HA PRO A 39 70.350 40.802-113.976 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.103 40.629-112.922 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.111 42.065-113.083 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.790 40.730-110.652 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.675 42.070-110.831 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.008 39.334-110.155 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.888 40.661-110.386 1.00 0.74 H new ATOM 400 N VAL A 40 72.402 38.285-113.748 1.00 0.52 N ATOM 401 CA VAL A 40 73.051 37.228-114.573 1.00 0.47 C ATOM 402 C VAL A 40 71.992 36.529-115.426 1.00 0.41 C ATOM 403 O VAL A 40 72.091 36.443-116.645 1.00 0.37 O ATOM 404 CB VAL A 40 73.708 36.206-113.638 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.682 35.158-113.201 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.870 35.520-114.359 1.00 0.50 C ATOM 0 H VAL A 40 72.640 38.259-112.756 1.00 0.52 H new ATOM 0 HA VAL A 40 73.803 37.673-115.224 1.00 0.47 H new ATOM 0 HB VAL A 40 74.085 36.723-112.756 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.159 34.437-112.537 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.862 35.648-112.676 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.293 34.642-114.079 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.335 34.794-113.692 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.497 35.010-115.247 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.608 36.267-114.653 1.00 0.50 H new ATOM 416 N ARG A 41 70.956 36.064-114.800 1.00 0.42 N ATOM 417 CA ARG A 41 69.871 35.398-115.558 1.00 0.40 C ATOM 418 C ARG A 41 69.142 36.464-116.358 1.00 0.34 C ATOM 419 O ARG A 41 68.485 36.186-117.343 1.00 0.30 O ATOM 420 CB ARG A 41 68.896 34.722-114.590 1.00 0.46 C ATOM 421 CG ARG A 41 67.970 33.785-115.371 1.00 0.87 C ATOM 422 CD ARG A 41 66.692 33.530-114.567 1.00 1.00 C ATOM 423 NE ARG A 41 67.020 33.374-113.115 1.00 1.53 N ATOM 424 CZ ARG A 41 68.019 32.626-112.727 1.00 2.18 C ATOM 425 NH1 ARG A 41 68.696 31.926-113.593 1.00 2.54 N ATOM 426 NH2 ARG A 41 68.322 32.556-111.459 1.00 3.12 N ATOM 0 H ARG A 41 70.813 36.116-113.791 1.00 0.42 H new ATOM 0 HA ARG A 41 70.283 34.637-116.220 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.447 34.161-113.835 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.309 35.474-114.063 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.721 34.226-116.336 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.478 32.842-115.573 1.00 0.87 H new ATOM 0 HD2 ARG A 41 65.996 34.358-114.704 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.195 32.632-114.934 1.00 1.00 H new ATOM 0 HE ARG A 41 66.455 33.859-112.418 1.00 1.53 H new ATOM 0 HH11 ARG A 41 68.448 31.959-114.582 1.00 2.54 H new ATOM 0 HH12 ARG A 41 69.474 31.345-113.282 1.00 2.54 H new ATOM 0 HH21 ARG A 41 67.780 33.084-110.775 1.00 3.12 H new ATOM 0 HH22 ARG A 41 69.101 31.973-111.152 1.00 3.12 H new ATOM 440 N LEU A 42 69.263 37.693-115.941 1.00 0.35 N ATOM 441 CA LEU A 42 68.582 38.782-116.677 1.00 0.30 C ATOM 442 C LEU A 42 69.419 39.149-117.893 1.00 0.31 C ATOM 443 O LEU A 42 68.912 39.643-118.872 1.00 0.49 O ATOM 444 CB LEU A 42 68.397 40.001-115.783 1.00 0.32 C ATOM 445 CG LEU A 42 67.188 40.783-116.288 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.911 40.198-115.684 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.318 42.251-115.875 1.00 0.60 C ATOM 0 H LEU A 42 69.802 37.985-115.126 1.00 0.35 H new ATOM 0 HA LEU A 42 67.596 38.442-116.993 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.246 39.694-114.748 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.290 40.626-115.803 1.00 0.32 H new ATOM 0 HG LEU A 42 67.142 40.713-117.375 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.048 40.757-116.045 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.815 39.153-115.978 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.958 40.266-114.597 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.454 42.809-116.236 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.366 42.320-114.788 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.227 42.671-116.306 1.00 0.60 H new ATOM 459 N ALA A 43 70.692 38.874-117.863 1.00 0.30 N ATOM 460 CA ALA A 43 71.535 39.162-119.042 1.00 0.30 C ATOM 461 C ALA A 43 71.235 38.046-120.023 1.00 0.29 C ATOM 462 O ALA A 43 71.213 38.219-121.218 1.00 0.28 O ATOM 463 CB ALA A 43 73.010 39.132-118.639 1.00 0.36 C ATOM 0 H ALA A 43 71.181 38.461-117.069 1.00 0.30 H new ATOM 0 HA ALA A 43 71.333 40.144-119.470 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.630 39.345-119.510 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.193 39.884-117.871 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.260 38.146-118.248 1.00 0.36 H new ATOM 469 N GLU A 44 70.979 36.891-119.489 1.00 0.30 N ATOM 470 CA GLU A 44 70.636 35.756-120.379 1.00 0.32 C ATOM 471 C GLU A 44 69.315 36.111-121.077 1.00 0.30 C ATOM 472 O GLU A 44 69.255 36.250-122.283 1.00 0.34 O ATOM 473 CB GLU A 44 70.469 34.475-119.558 1.00 0.37 C ATOM 474 CG GLU A 44 70.540 33.261-120.486 1.00 1.15 C ATOM 475 CD GLU A 44 69.773 32.094-119.860 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.053 31.773-118.716 1.00 2.80 O ATOM 477 OE2 GLU A 44 68.921 31.541-120.535 1.00 2.92 O ATOM 0 H GLU A 44 70.992 36.685-118.490 1.00 0.30 H new ATOM 0 HA GLU A 44 71.426 35.585-121.110 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.249 34.412-118.799 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.514 34.489-119.033 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.116 33.509-121.459 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.579 32.979-120.654 1.00 1.15 H new ATOM 484 N LEU A 45 68.258 36.244-120.322 1.00 0.28 N ATOM 485 CA LEU A 45 66.923 36.577-120.921 1.00 0.29 C ATOM 486 C LEU A 45 66.939 37.970-121.572 1.00 0.24 C ATOM 487 O LEU A 45 66.305 38.193-122.584 1.00 0.25 O ATOM 488 CB LEU A 45 65.859 36.546-119.820 1.00 0.34 C ATOM 489 CG LEU A 45 64.501 36.964-120.398 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.638 35.724-120.638 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.793 37.890-119.408 1.00 0.77 C ATOM 0 H LEU A 45 68.257 36.136-119.308 1.00 0.28 H new ATOM 0 HA LEU A 45 66.695 35.841-121.692 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.791 35.544-119.395 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.142 37.217-119.009 1.00 0.34 H new ATOM 0 HG LEU A 45 64.656 37.485-121.343 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.674 36.025-121.049 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.141 35.061-121.342 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.483 35.201-119.695 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.827 38.189-119.816 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.642 37.366-118.464 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.405 38.776-119.237 1.00 0.77 H new ATOM 503 N HIS A 46 67.666 38.901-121.020 1.00 0.21 N ATOM 504 CA HIS A 46 67.716 40.260-121.638 1.00 0.20 C ATOM 505 C HIS A 46 68.575 40.197-122.903 1.00 0.19 C ATOM 506 O HIS A 46 68.180 40.640-123.963 1.00 0.21 O ATOM 507 CB HIS A 46 68.331 41.259-120.656 1.00 0.23 C ATOM 508 CG HIS A 46 68.287 42.641-121.251 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.431 43.295-121.682 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.248 43.506-121.493 1.00 0.27 C ATOM 511 CE1 HIS A 46 69.057 44.498-122.155 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.736 44.678-122.063 1.00 0.31 N ATOM 0 H HIS A 46 68.224 38.784-120.174 1.00 0.21 H new ATOM 0 HA HIS A 46 66.705 40.584-121.887 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.785 41.240-119.713 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.361 40.980-120.434 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.209 43.307-121.274 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.741 45.229-122.560 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.201 45.498-122.349 1.00 0.31 H new ATOM 520 N ALA A 47 69.747 39.641-122.790 1.00 0.19 N ATOM 521 CA ALA A 47 70.654 39.527-123.965 1.00 0.22 C ATOM 522 C ALA A 47 69.917 38.830-125.102 1.00 0.21 C ATOM 523 O ALA A 47 69.760 39.367-126.180 1.00 0.22 O ATOM 524 CB ALA A 47 71.881 38.697-123.575 1.00 0.27 C ATOM 0 H ALA A 47 70.120 39.256-121.922 1.00 0.19 H new ATOM 0 HA ALA A 47 70.968 40.520-124.285 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.549 38.610-124.432 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.405 39.186-122.754 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.563 37.703-123.261 1.00 0.27 H new ATOM 530 N ASP A 48 69.456 37.639-124.863 1.00 0.22 N ATOM 531 CA ASP A 48 68.718 36.904-125.925 1.00 0.25 C ATOM 532 C ASP A 48 67.534 37.757-126.370 1.00 0.22 C ATOM 533 O ASP A 48 67.315 37.974-127.545 1.00 0.25 O ATOM 534 CB ASP A 48 68.215 35.569-125.375 1.00 0.28 C ATOM 535 CG ASP A 48 69.403 34.736-124.889 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.519 35.223-124.979 1.00 0.94 O ATOM 537 OD2 ASP A 48 69.178 33.625-124.437 1.00 0.84 O ATOM 0 H ASP A 48 69.557 37.141-123.979 1.00 0.22 H new ATOM 0 HA ASP A 48 69.377 36.709-126.771 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.518 35.741-124.555 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.670 35.028-126.148 1.00 0.28 H new ATOM 542 N LEU A 49 66.773 38.253-125.434 1.00 0.19 N ATOM 543 CA LEU A 49 65.615 39.102-125.807 1.00 0.19 C ATOM 544 C LEU A 49 66.094 40.160-126.802 1.00 0.18 C ATOM 545 O LEU A 49 65.420 40.470-127.764 1.00 0.19 O ATOM 546 CB LEU A 49 65.035 39.776-124.561 1.00 0.18 C ATOM 547 CG LEU A 49 63.960 38.872-123.951 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.343 39.560-122.734 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.868 38.599-124.989 1.00 0.89 C ATOM 0 H LEU A 49 66.904 38.106-124.433 1.00 0.19 H new ATOM 0 HA LEU A 49 64.834 38.491-126.260 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.825 39.963-123.834 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.607 40.744-124.823 1.00 0.18 H new ATOM 0 HG LEU A 49 64.414 37.929-123.645 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.578 38.916-122.301 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.118 39.752-121.992 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.892 40.504-123.040 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.104 37.955-124.553 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.416 39.541-125.298 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.306 38.105-125.857 1.00 0.89 H new ATOM 561 N LYS A 50 67.269 40.699-126.597 1.00 0.20 N ATOM 562 CA LYS A 50 67.790 41.711-127.557 1.00 0.21 C ATOM 563 C LYS A 50 68.060 41.004-128.883 1.00 0.23 C ATOM 564 O LYS A 50 67.534 41.363-129.913 1.00 0.24 O ATOM 565 CB LYS A 50 69.090 42.315-127.021 1.00 0.24 C ATOM 566 CG LYS A 50 68.855 42.879-125.620 1.00 0.36 C ATOM 567 CD LYS A 50 69.425 44.296-125.536 1.00 0.84 C ATOM 568 CE LYS A 50 70.953 44.233-125.552 1.00 1.09 C ATOM 569 NZ LYS A 50 71.423 43.957-126.939 1.00 1.84 N ATOM 0 H LYS A 50 67.884 40.483-125.812 1.00 0.20 H new ATOM 0 HA LYS A 50 67.065 42.513-127.693 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.871 41.555-126.992 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.438 43.104-127.688 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.788 42.891-125.396 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.330 42.240-124.875 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.066 44.894-126.374 1.00 0.84 H new ATOM 0 HD3 LYS A 50 69.080 44.785-124.625 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.370 45.175-125.196 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.303 43.453-124.876 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.371 44.364-127.072 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.462 42.929-127.094 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.764 44.385-127.620 1.00 1.84 H new ATOM 583 N ILE A 51 68.878 39.993-128.860 1.00 0.25 N ATOM 584 CA ILE A 51 69.159 39.275-130.130 1.00 0.27 C ATOM 585 C ILE A 51 67.813 39.109-130.833 1.00 0.26 C ATOM 586 O ILE A 51 67.587 39.623-131.923 1.00 0.25 O ATOM 587 CB ILE A 51 69.769 37.904-129.835 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.285 38.046-129.684 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.460 36.947-130.987 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.593 39.014-128.541 1.00 0.30 C ATOM 0 H ILE A 51 69.357 39.637-128.033 1.00 0.25 H new ATOM 0 HA ILE A 51 69.867 39.825-130.750 1.00 0.27 H new ATOM 0 HB ILE A 51 69.345 37.508-128.912 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.734 37.073-129.483 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.721 38.412-130.613 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.895 35.970-130.775 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.380 36.847-131.097 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.884 37.341-131.911 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.673 39.116-128.432 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.157 39.988-128.762 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.170 38.628-127.614 1.00 0.30 H new ATOM 602 N GLN A 52 66.893 38.432-130.202 1.00 0.26 N ATOM 603 CA GLN A 52 65.556 38.282-130.816 1.00 0.27 C ATOM 604 C GLN A 52 65.037 39.677-131.157 1.00 0.24 C ATOM 605 O GLN A 52 64.257 39.844-132.062 1.00 0.26 O ATOM 606 CB GLN A 52 64.605 37.603-129.826 1.00 0.32 C ATOM 607 CG GLN A 52 63.258 37.349-130.505 1.00 0.45 C ATOM 608 CD GLN A 52 63.203 35.905-131.008 1.00 0.62 C ATOM 609 OE1 GLN A 52 62.677 35.036-130.342 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.732 35.609-132.165 1.00 0.48 N ATOM 0 H GLN A 52 67.013 37.982-129.295 1.00 0.26 H new ATOM 0 HA GLN A 52 65.617 37.669-131.715 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.033 36.662-129.481 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.468 38.232-128.947 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.445 37.532-129.803 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.122 38.040-131.337 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.174 36.338-132.725 1.00 0.48 H new ATOM 0 HE22 GLN A 52 63.703 34.649-132.508 1.00 0.48 H new ATOM 619 N GLU A 53 65.462 40.684-130.430 1.00 0.23 N ATOM 620 CA GLU A 53 64.983 42.064-130.735 1.00 0.23 C ATOM 621 C GLU A 53 65.566 42.520-132.067 1.00 0.20 C ATOM 622 O GLU A 53 64.882 43.094-132.882 1.00 0.21 O ATOM 623 CB GLU A 53 65.426 43.055-129.663 1.00 0.25 C ATOM 624 CG GLU A 53 64.967 44.457-130.081 1.00 0.28 C ATOM 625 CD GLU A 53 66.182 45.386-130.180 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.274 44.883-130.384 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.998 46.585-130.053 1.00 1.09 O ATOM 0 H GLU A 53 66.112 40.609-129.648 1.00 0.23 H new ATOM 0 HA GLU A 53 63.894 42.038-130.771 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.996 42.787-128.698 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.510 43.029-129.547 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.452 44.411-131.041 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.255 44.849-129.355 1.00 0.28 H new ATOM 634 N ARG A 54 66.823 42.279-132.305 1.00 0.22 N ATOM 635 CA ARG A 54 67.418 42.710-133.596 1.00 0.22 C ATOM 636 C ARG A 54 66.695 41.994-134.724 1.00 0.20 C ATOM 637 O ARG A 54 66.498 42.527-135.800 1.00 0.21 O ATOM 638 CB ARG A 54 68.891 42.317-133.622 1.00 0.24 C ATOM 639 CG ARG A 54 69.692 43.284-132.754 1.00 0.27 C ATOM 640 CD ARG A 54 70.589 44.149-133.641 1.00 0.85 C ATOM 641 NE ARG A 54 71.187 45.243-132.826 1.00 1.55 N ATOM 642 CZ ARG A 54 72.202 45.920-133.287 1.00 2.09 C ATOM 643 NH1 ARG A 54 72.694 45.639-134.463 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.726 46.879-132.573 1.00 3.03 N ATOM 0 H ARG A 54 67.460 41.805-131.665 1.00 0.22 H new ATOM 0 HA ARG A 54 67.323 43.790-133.712 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.013 41.297-133.256 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.265 42.335-134.646 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.016 43.916-132.177 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.298 42.729-132.038 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.376 43.540-134.085 1.00 0.85 H new ATOM 0 HD3 ARG A 54 70.009 44.569-134.463 1.00 0.85 H new ATOM 0 HE ARG A 54 70.803 45.463-131.907 1.00 1.55 H new ATOM 0 HH11 ARG A 54 72.285 44.890-135.021 1.00 2.40 H new ATOM 0 HH12 ARG A 54 73.488 46.168-134.824 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.342 47.099-131.654 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.520 47.408-132.934 1.00 3.03 H new ATOM 658 N ASP A 55 66.277 40.791-134.467 1.00 0.20 N ATOM 659 CA ASP A 55 65.541 40.024-135.513 1.00 0.21 C ATOM 660 C ASP A 55 64.064 40.441-135.515 1.00 0.21 C ATOM 661 O ASP A 55 63.429 40.526-136.552 1.00 0.20 O ATOM 662 CB ASP A 55 65.650 38.527-135.216 1.00 0.25 C ATOM 663 CG ASP A 55 67.111 38.088-135.334 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.941 38.933-135.625 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.375 36.915-135.129 1.00 0.84 O ATOM 0 H ASP A 55 66.411 40.303-133.581 1.00 0.20 H new ATOM 0 HA ASP A 55 65.976 40.234-136.490 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.276 38.316-134.214 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.032 37.961-135.913 1.00 0.25 H new ATOM 670 N GLU A 56 63.520 40.733-134.366 1.00 0.27 N ATOM 671 CA GLU A 56 62.096 41.160-134.300 1.00 0.32 C ATOM 672 C GLU A 56 61.980 42.543-134.914 1.00 0.30 C ATOM 673 O GLU A 56 61.160 42.784-135.772 1.00 0.31 O ATOM 674 CB GLU A 56 61.632 41.201-132.843 1.00 0.39 C ATOM 675 CG GLU A 56 61.141 39.814-132.423 1.00 0.44 C ATOM 676 CD GLU A 56 59.728 39.587-132.961 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.214 40.479-133.616 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.182 38.525-132.709 1.00 1.72 O ATOM 0 H GLU A 56 64.002 40.694-133.468 1.00 0.27 H new ATOM 0 HA GLU A 56 61.470 40.454-134.846 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.452 41.519-132.198 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.832 41.932-132.726 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.815 39.047-132.806 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.146 39.729-131.336 1.00 0.44 H new ATOM 685 N LEU A 57 62.815 43.449-134.506 1.00 0.30 N ATOM 686 CA LEU A 57 62.765 44.801-135.103 1.00 0.32 C ATOM 687 C LEU A 57 63.102 44.659-136.583 1.00 0.28 C ATOM 688 O LEU A 57 62.381 45.125-137.440 1.00 0.29 O ATOM 689 CB LEU A 57 63.786 45.713-134.420 1.00 0.36 C ATOM 690 CG LEU A 57 63.247 46.152-133.059 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.404 46.627-132.179 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.252 47.297-133.253 1.00 1.22 C ATOM 0 H LEU A 57 63.526 43.311-133.788 1.00 0.30 H new ATOM 0 HA LEU A 57 61.777 45.242-134.974 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.733 45.188-134.296 1.00 0.36 H new ATOM 0 HB3 LEU A 57 63.985 46.585-135.043 1.00 0.36 H new ATOM 0 HG LEU A 57 62.748 45.311-132.578 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.018 46.940-131.209 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.115 45.812-132.041 1.00 1.08 H new ATOM 0 HD13 LEU A 57 64.905 47.468-132.659 1.00 1.08 H new ATOM 0 HD21 LEU A 57 61.866 47.612-132.283 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.753 48.137-133.734 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.427 46.959-133.880 1.00 1.22 H new ATOM 704 N ALA A 58 64.173 43.976-136.901 1.00 0.25 N ATOM 705 CA ALA A 58 64.497 43.780-138.335 1.00 0.24 C ATOM 706 C ALA A 58 63.250 43.201-138.994 1.00 0.21 C ATOM 707 O ALA A 58 62.984 43.404-140.167 1.00 0.21 O ATOM 708 CB ALA A 58 65.664 42.800-138.477 1.00 0.24 C ATOM 0 H ALA A 58 64.823 43.554-136.238 1.00 0.25 H new ATOM 0 HA ALA A 58 64.787 44.721-138.803 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.896 42.661-139.533 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.538 43.199-137.963 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.390 41.841-138.037 1.00 0.24 H new ATOM 714 N TRP A 59 62.447 42.522-138.222 1.00 0.19 N ATOM 715 CA TRP A 59 61.196 41.980-138.795 1.00 0.18 C ATOM 716 C TRP A 59 60.199 43.124-138.957 1.00 0.20 C ATOM 717 O TRP A 59 59.756 43.415-140.052 1.00 0.30 O ATOM 718 CB TRP A 59 60.585 40.894-137.919 1.00 0.19 C ATOM 719 CG TRP A 59 59.416 40.346-138.662 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.485 39.406-139.631 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.015 40.712-138.544 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.218 39.173-140.122 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.272 39.953-139.477 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.324 41.619-137.722 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.888 40.092-139.592 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.933 41.760-137.833 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.217 40.998-138.766 1.00 0.39 C ATOM 0 H TRP A 59 62.604 42.324-137.234 1.00 0.19 H new ATOM 0 HA TRP A 59 61.431 41.527-139.758 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.313 40.110-137.712 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.274 41.303-136.957 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.387 38.916-139.966 1.00 0.26 H new ATOM 0 HE1 TRP A 59 58.004 38.510-140.867 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.868 42.211-137.001 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.340 39.504-140.313 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.411 42.459-137.196 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.146 41.111-138.847 1.00 0.39 H new ATOM 738 N LYS A 60 59.826 43.779-137.886 1.00 0.27 N ATOM 739 CA LYS A 60 58.851 44.890-138.037 1.00 0.30 C ATOM 740 C LYS A 60 59.259 45.688-139.271 1.00 0.29 C ATOM 741 O LYS A 60 58.429 46.163-140.025 1.00 0.31 O ATOM 742 CB LYS A 60 58.859 45.785-136.787 1.00 0.38 C ATOM 743 CG LYS A 60 59.980 46.827-136.875 1.00 0.42 C ATOM 744 CD LYS A 60 59.710 47.946-135.867 1.00 1.08 C ATOM 745 CE LYS A 60 60.867 48.947-135.895 1.00 1.53 C ATOM 746 NZ LYS A 60 60.593 49.997-136.916 1.00 2.27 N ATOM 0 H LYS A 60 60.148 43.595-136.936 1.00 0.27 H new ATOM 0 HA LYS A 60 57.839 44.501-138.152 1.00 0.30 H new ATOM 0 HB2 LYS A 60 57.896 46.286-136.686 1.00 0.38 H new ATOM 0 HB3 LYS A 60 58.994 45.172-135.896 1.00 0.38 H new ATOM 0 HG2 LYS A 60 60.943 46.360-136.668 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.034 47.236-137.884 1.00 0.42 H new ATOM 0 HD2 LYS A 60 58.774 48.449-136.108 1.00 1.08 H new ATOM 0 HD3 LYS A 60 59.599 47.529-134.866 1.00 1.08 H new ATOM 0 HE2 LYS A 60 60.990 49.403-134.913 1.00 1.53 H new ATOM 0 HE3 LYS A 60 61.800 48.434-136.127 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 61.380 50.677-136.934 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 60.496 49.554-137.852 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 59.712 50.494-136.675 1.00 2.27 H new ATOM 760 N LYS A 61 60.541 45.809-139.507 1.00 0.28 N ATOM 761 CA LYS A 61 60.998 46.544-140.711 1.00 0.30 C ATOM 762 C LYS A 61 60.788 45.648-141.931 1.00 0.27 C ATOM 763 O LYS A 61 60.524 46.124-143.015 1.00 0.35 O ATOM 764 CB LYS A 61 62.476 46.907-140.584 1.00 0.35 C ATOM 765 CG LYS A 61 62.711 47.642-139.263 1.00 0.40 C ATOM 766 CD LYS A 61 64.213 47.847-139.052 1.00 0.77 C ATOM 767 CE LYS A 61 64.458 48.426-137.658 1.00 1.42 C ATOM 768 NZ LYS A 61 65.761 49.151-137.643 1.00 2.43 N ATOM 0 H LYS A 61 61.283 45.431-138.918 1.00 0.28 H new ATOM 0 HA LYS A 61 60.427 47.467-140.817 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.087 46.005-140.624 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.780 47.536-141.421 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.200 48.605-139.275 1.00 0.40 H new ATOM 0 HG3 LYS A 61 62.292 47.069-138.436 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.739 46.899-139.161 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.609 48.521-139.812 1.00 0.77 H new ATOM 0 HE2 LYS A 61 63.649 49.104-137.387 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.466 47.627-136.917 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 65.928 49.545-136.695 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.528 48.491-137.884 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.737 49.923-138.339 1.00 2.43 H new ATOM 782 N LEU A 62 60.855 44.347-141.763 1.00 0.24 N ATOM 783 CA LEU A 62 60.602 43.447-142.924 1.00 0.24 C ATOM 784 C LEU A 62 59.150 43.626-143.345 1.00 0.24 C ATOM 785 O LEU A 62 58.848 44.047-144.444 1.00 0.26 O ATOM 786 CB LEU A 62 60.796 41.984-142.512 1.00 0.24 C ATOM 787 CG LEU A 62 62.259 41.566-142.676 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.612 40.524-141.613 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.458 40.946-144.061 1.00 0.41 C ATOM 0 H LEU A 62 61.071 43.879-140.883 1.00 0.24 H new ATOM 0 HA LEU A 62 61.291 43.692-143.732 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.488 41.849-141.475 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.159 41.342-143.120 1.00 0.24 H new ATOM 0 HG LEU A 62 62.900 42.441-142.565 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.654 40.225-141.728 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.465 40.952-140.621 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.969 39.652-141.731 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.500 40.648-144.180 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.816 40.071-144.164 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.200 41.677-144.827 1.00 0.41 H new ATOM 801 N LYS A 63 58.247 43.299-142.462 1.00 0.24 N ATOM 802 CA LYS A 63 56.805 43.436-142.780 1.00 0.26 C ATOM 803 C LYS A 63 56.523 44.869-143.228 1.00 0.29 C ATOM 804 O LYS A 63 55.699 45.108-144.087 1.00 0.30 O ATOM 805 CB LYS A 63 55.970 43.130-141.533 1.00 0.34 C ATOM 806 CG LYS A 63 55.863 44.390-140.667 1.00 0.46 C ATOM 807 CD LYS A 63 55.004 44.099-139.436 1.00 0.41 C ATOM 808 CE LYS A 63 53.954 45.200-139.276 1.00 0.58 C ATOM 809 NZ LYS A 63 53.064 44.874-138.125 1.00 1.20 N ATOM 0 H LYS A 63 58.451 42.941-141.529 1.00 0.24 H new ATOM 0 HA LYS A 63 56.543 42.738-143.575 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.976 42.790-141.823 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.430 42.322-140.963 1.00 0.34 H new ATOM 0 HG2 LYS A 63 56.856 44.717-140.360 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.424 45.203-141.245 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.517 43.129-139.540 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.631 44.047-138.546 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.441 46.161-139.112 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.366 45.292-140.189 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.350 45.622-138.016 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 52.589 43.965-138.300 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.631 44.807-137.256 1.00 1.20 H new ATOM 823 N LEU A 64 57.197 45.831-142.650 1.00 0.33 N ATOM 824 CA LEU A 64 56.966 47.251-143.034 1.00 0.43 C ATOM 825 C LEU A 64 57.452 47.499-144.459 1.00 0.52 C ATOM 826 O LEU A 64 56.735 48.020-145.289 1.00 0.75 O ATOM 827 CB LEU A 64 57.746 48.142-142.065 1.00 0.38 C ATOM 828 CG LEU A 64 56.884 48.446-140.840 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.747 49.088-139.752 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.762 49.410-141.233 1.00 1.23 C ATOM 0 H LEU A 64 57.900 45.690-141.925 1.00 0.33 H new ATOM 0 HA LEU A 64 55.901 47.477-142.988 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.667 47.645-141.760 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.033 49.070-142.559 1.00 0.38 H new ATOM 0 HG LEU A 64 56.453 47.519-140.462 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.131 49.304-138.879 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.547 48.403-139.471 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.179 50.015-140.130 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.147 49.627-140.360 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.194 50.336-141.612 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.145 48.954-142.007 1.00 1.23 H new ATOM 842 N ASP A 65 58.667 47.137-144.748 1.00 0.45 N ATOM 843 CA ASP A 65 59.202 47.359-146.119 1.00 0.60 C ATOM 844 C ASP A 65 58.580 46.348-147.080 1.00 0.96 C ATOM 845 O ASP A 65 58.770 46.419-148.277 1.00 0.98 O ATOM 846 CB ASP A 65 60.722 47.182-146.107 1.00 0.53 C ATOM 847 CG ASP A 65 61.373 48.401-145.451 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.643 49.283-145.028 1.00 1.14 O ATOM 849 OD2 ASP A 65 62.591 48.433-145.383 1.00 1.31 O ATOM 0 H ASP A 65 59.315 46.696-144.095 1.00 0.45 H new ATOM 0 HA ASP A 65 58.955 48.369-146.446 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.989 46.277-145.562 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.093 47.062-147.125 1.00 0.53 H new ATOM 854 N GLY A 66 57.836 45.404-146.570 1.00 1.30 N ATOM 855 CA GLY A 66 57.206 44.394-147.463 1.00 1.72 C ATOM 856 C GLY A 66 58.258 43.380-147.911 1.00 0.91 C ATOM 857 O GLY A 66 58.508 43.212-149.089 1.00 1.14 O ATOM 0 H GLY A 66 57.638 45.290-145.576 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.396 43.886-146.940 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.766 44.885-148.331 1.00 1.72 H new ATOM 861 N LEU A 67 58.874 42.694-146.985 1.00 0.37 N ATOM 862 CA LEU A 67 59.901 41.693-147.377 1.00 1.03 C ATOM 863 C LEU A 67 59.364 40.285-147.127 1.00 0.91 C ATOM 864 O LEU A 67 59.542 39.396-147.937 1.00 1.09 O ATOM 865 CB LEU A 67 61.183 41.921-146.578 1.00 1.69 C ATOM 866 CG LEU A 67 62.055 42.943-147.310 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.046 43.576-146.332 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.826 42.240-148.429 1.00 2.68 C ATOM 0 H LEU A 67 58.710 42.784-145.982 1.00 0.37 H new ATOM 0 HA LEU A 67 60.128 41.804-148.437 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.943 42.280-145.577 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.724 40.982-146.459 1.00 1.69 H new ATOM 0 HG LEU A 67 61.420 43.722-147.732 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.664 44.303-146.859 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.499 44.077-145.533 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.682 42.800-145.906 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.449 42.965-148.953 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.457 41.461-148.002 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.122 41.792-149.130 1.00 2.68 H new ATOM 880 N ASP A 68 58.631 40.087-146.065 1.00 0.69 N ATOM 881 CA ASP A 68 57.993 38.764-145.817 1.00 0.59 C ATOM 882 C ASP A 68 56.496 38.990-145.975 1.00 0.59 C ATOM 883 O ASP A 68 55.891 39.613-145.125 1.00 0.59 O ATOM 884 CB ASP A 68 58.297 38.288-144.391 1.00 0.53 C ATOM 885 CG ASP A 68 58.059 36.780-144.312 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.344 36.104-145.287 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.589 36.328-143.283 1.00 0.97 O ATOM 0 H ASP A 68 58.446 40.793-145.352 1.00 0.69 H new ATOM 0 HA ASP A 68 58.366 38.006-146.506 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.329 38.521-144.127 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.660 38.808-143.676 1.00 0.53 H new ATOM 892 N GLU A 69 55.864 38.567-147.034 1.00 0.63 N ATOM 893 CA GLU A 69 54.418 38.870-147.158 1.00 0.69 C ATOM 894 C GLU A 69 53.561 37.961-146.279 1.00 0.71 C ATOM 895 O GLU A 69 52.358 38.123-146.238 1.00 0.77 O ATOM 896 CB GLU A 69 53.995 38.693-148.618 1.00 0.73 C ATOM 897 CG GLU A 69 54.304 37.265-149.070 1.00 0.75 C ATOM 898 CD GLU A 69 53.049 36.401-148.930 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.126 36.837-148.261 1.00 2.06 O ATOM 900 OE2 GLU A 69 53.032 35.319-149.493 1.00 1.82 O ATOM 0 H GLU A 69 56.277 38.037-147.801 1.00 0.63 H new ATOM 0 HA GLU A 69 54.263 39.897-146.827 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.930 38.897-148.726 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.523 39.408-149.250 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.644 37.266-150.106 1.00 0.75 H new ATOM 0 HG3 GLU A 69 55.113 36.849-148.469 1.00 0.75 H new ATOM 907 N ASP A 70 54.116 37.016-145.563 1.00 0.72 N ATOM 908 CA ASP A 70 53.243 36.159-144.710 1.00 0.78 C ATOM 909 C ASP A 70 53.767 36.214-143.274 1.00 0.69 C ATOM 910 O ASP A 70 53.317 35.500-142.401 1.00 0.84 O ATOM 911 CB ASP A 70 53.285 34.716-145.217 1.00 0.83 C ATOM 912 CG ASP A 70 53.023 34.697-146.725 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.871 34.825-147.107 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.977 34.554-147.471 1.00 1.34 O ATOM 0 H ASP A 70 55.113 36.805-145.532 1.00 0.72 H new ATOM 0 HA ASP A 70 52.214 36.517-144.748 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.256 34.271-145.000 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.537 34.116-144.700 1.00 0.83 H new ATOM 919 N GLY A 71 54.706 37.086-143.031 1.00 0.50 N ATOM 920 CA GLY A 71 55.270 37.243-141.661 1.00 0.43 C ATOM 921 C GLY A 71 55.830 35.919-141.125 1.00 0.34 C ATOM 922 O GLY A 71 55.736 35.642-139.946 1.00 0.31 O ATOM 0 H GLY A 71 55.112 37.705-143.733 1.00 0.50 H new ATOM 0 HA2 GLY A 71 56.061 37.993-141.676 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.495 37.610-140.988 1.00 0.43 H new ATOM 926 N GLU A 72 56.434 35.103-141.950 1.00 0.36 N ATOM 927 CA GLU A 72 56.999 33.834-141.408 1.00 0.34 C ATOM 928 C GLU A 72 58.260 34.183-140.614 1.00 0.30 C ATOM 929 O GLU A 72 58.413 33.804-139.472 1.00 0.30 O ATOM 930 CB GLU A 72 57.358 32.893-142.561 1.00 0.40 C ATOM 931 CG GLU A 72 56.325 31.769-142.644 1.00 1.23 C ATOM 932 CD GLU A 72 56.712 30.647-141.678 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.738 30.777-141.032 1.00 2.68 O ATOM 934 OE2 GLU A 72 55.975 29.678-141.602 1.00 2.64 O ATOM 0 H GLU A 72 56.558 35.255-142.951 1.00 0.36 H new ATOM 0 HA GLU A 72 56.271 33.336-140.767 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.386 33.446-143.500 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.353 32.476-142.407 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.335 32.152-142.396 1.00 1.23 H new ATOM 0 HG3 GLU A 72 56.272 31.384-143.662 1.00 1.23 H new ATOM 941 N LYS A 73 59.163 34.914-141.213 1.00 0.31 N ATOM 942 CA LYS A 73 60.396 35.283-140.463 1.00 0.33 C ATOM 943 C LYS A 73 59.938 35.761-139.088 1.00 0.29 C ATOM 944 O LYS A 73 60.649 35.681-138.098 1.00 0.29 O ATOM 945 CB LYS A 73 61.181 36.388-141.178 1.00 0.38 C ATOM 946 CG LYS A 73 60.490 36.767-142.486 1.00 0.55 C ATOM 947 CD LYS A 73 60.824 35.730-143.561 1.00 1.07 C ATOM 948 CE LYS A 73 62.338 35.687-143.780 1.00 1.38 C ATOM 949 NZ LYS A 73 62.626 35.550-145.236 1.00 2.36 N ATOM 0 H LYS A 73 59.102 35.265-142.169 1.00 0.31 H new ATOM 0 HA LYS A 73 61.066 34.427-140.388 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.259 37.263-140.533 1.00 0.38 H new ATOM 0 HB3 LYS A 73 62.197 36.049-141.380 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.411 36.818-142.338 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.815 37.757-142.807 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.462 34.748-143.258 1.00 1.07 H new ATOM 0 HD3 LYS A 73 60.319 35.982-144.493 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.798 36.595-143.391 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.772 34.850-143.232 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.655 35.521-145.385 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.199 34.671-145.593 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 62.225 36.362-145.747 1.00 2.36 H new ATOM 963 N GLU A 74 58.701 36.162-139.013 1.00 0.28 N ATOM 964 CA GLU A 74 58.120 36.562-137.711 1.00 0.28 C ATOM 965 C GLU A 74 57.747 35.262-137.020 1.00 0.26 C ATOM 966 O GLU A 74 58.031 35.032-135.878 1.00 0.27 O ATOM 967 CB GLU A 74 56.851 37.378-137.944 1.00 0.31 C ATOM 968 CG GLU A 74 56.604 38.289-136.744 1.00 0.37 C ATOM 969 CD GLU A 74 55.168 38.116-136.241 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.446 37.323-136.822 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.816 38.780-135.280 1.00 1.11 O ATOM 0 H GLU A 74 58.065 36.229-139.808 1.00 0.28 H new ATOM 0 HA GLU A 74 58.815 37.163-137.125 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.950 37.973-138.852 1.00 0.31 H new ATOM 0 HB3 GLU A 74 56.000 36.713-138.090 1.00 0.31 H new ATOM 0 HG2 GLU A 74 57.308 38.052-135.946 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.777 39.328-137.024 1.00 0.37 H new ATOM 978 N ALA A 75 57.146 34.399-137.774 1.00 0.25 N ATOM 979 CA ALA A 75 56.784 33.074-137.219 1.00 0.27 C ATOM 980 C ALA A 75 58.031 32.579-136.517 1.00 0.26 C ATOM 981 O ALA A 75 58.064 32.436-135.315 1.00 0.27 O ATOM 982 CB ALA A 75 56.377 32.113-138.340 1.00 0.30 C ATOM 0 H ALA A 75 56.889 34.551-138.749 1.00 0.25 H new ATOM 0 HA ALA A 75 55.935 33.137-136.538 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.115 31.145-137.912 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.517 32.519-138.873 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.209 31.990-139.033 1.00 0.30 H new ATOM 988 N ARG A 76 59.064 32.326-137.255 1.00 0.28 N ATOM 989 CA ARG A 76 60.314 31.853-136.612 1.00 0.31 C ATOM 990 C ARG A 76 60.588 32.723-135.388 1.00 0.28 C ATOM 991 O ARG A 76 60.884 32.227-134.319 1.00 0.30 O ATOM 992 CB ARG A 76 61.478 31.961-137.600 1.00 0.35 C ATOM 993 CG ARG A 76 62.778 31.549-136.906 1.00 0.66 C ATOM 994 CD ARG A 76 63.912 31.504-137.932 1.00 1.00 C ATOM 995 NE ARG A 76 64.554 32.845-138.023 1.00 1.51 N ATOM 996 CZ ARG A 76 65.717 32.974-138.600 1.00 2.03 C ATOM 997 NH1 ARG A 76 66.318 31.928-139.099 1.00 2.34 N ATOM 998 NH2 ARG A 76 66.280 34.149-138.680 1.00 3.14 N ATOM 0 H ARG A 76 59.100 32.424-138.270 1.00 0.28 H new ATOM 0 HA ARG A 76 60.208 30.811-136.311 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.296 31.321-138.464 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.560 32.982-137.971 1.00 0.35 H new ATOM 0 HG2 ARG A 76 63.019 32.256-136.112 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.659 30.572-136.437 1.00 0.66 H new ATOM 0 HD2 ARG A 76 64.649 30.755-137.642 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.523 31.208-138.906 1.00 1.00 H new ATOM 0 HE ARG A 76 64.084 33.663-137.634 1.00 1.51 H new ATOM 0 HH11 ARG A 76 65.878 31.010-139.038 1.00 2.34 H new ATOM 0 HH12 ARG A 76 67.227 32.029-139.550 1.00 2.34 H new ATOM 0 HH21 ARG A 76 65.811 34.967-138.291 1.00 3.14 H new ATOM 0 HH22 ARG A 76 67.189 34.249-139.131 1.00 3.14 H new ATOM 1012 N LEU A 77 60.491 34.017-135.527 1.00 0.30 N ATOM 1013 CA LEU A 77 60.748 34.903-134.352 1.00 0.31 C ATOM 1014 C LEU A 77 59.817 34.513-133.200 1.00 0.29 C ATOM 1015 O LEU A 77 60.258 34.144-132.133 1.00 0.30 O ATOM 1016 CB LEU A 77 60.505 36.360-134.739 1.00 0.35 C ATOM 1017 CG LEU A 77 61.667 36.852-135.601 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.273 38.157-136.292 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.890 37.096-134.715 1.00 0.38 C ATOM 0 H LEU A 77 60.248 34.497-136.393 1.00 0.30 H new ATOM 0 HA LEU A 77 61.784 34.786-134.034 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.567 36.452-135.286 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.414 36.976-133.844 1.00 0.35 H new ATOM 0 HG LEU A 77 61.905 36.100-136.353 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.102 38.508-136.907 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.401 37.986-136.923 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.035 38.909-135.540 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.720 37.447-135.329 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.651 37.849-133.964 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.172 36.167-134.221 1.00 0.38 H new ATOM 1031 N ILE A 78 58.533 34.584-133.414 1.00 0.29 N ATOM 1032 CA ILE A 78 57.565 34.210-132.347 1.00 0.32 C ATOM 1033 C ILE A 78 57.940 32.842-131.801 1.00 0.30 C ATOM 1034 O ILE A 78 57.977 32.624-130.615 1.00 0.32 O ATOM 1035 CB ILE A 78 56.163 34.147-132.935 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.749 35.549-133.362 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.186 33.623-131.879 1.00 0.45 C ATOM 1038 CD1 ILE A 78 55.101 35.490-134.740 1.00 0.37 C ATOM 0 H ILE A 78 58.110 34.888-134.291 1.00 0.29 H new ATOM 0 HA ILE A 78 57.591 34.951-131.548 1.00 0.32 H new ATOM 0 HB ILE A 78 56.151 33.477-133.795 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.051 35.970-132.638 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.619 36.205-133.385 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.182 33.579-132.302 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.491 32.625-131.564 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.188 34.292-131.018 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.805 36.493-135.046 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.813 35.087-135.460 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.221 34.848-134.701 1.00 0.37 H new ATOM 1050 N ARG A 79 58.242 31.928-132.669 1.00 0.29 N ATOM 1051 CA ARG A 79 58.649 30.573-132.192 1.00 0.32 C ATOM 1052 C ARG A 79 59.951 30.716-131.395 1.00 0.26 C ATOM 1053 O ARG A 79 60.248 29.926-130.522 1.00 0.26 O ATOM 1054 CB ARG A 79 58.869 29.645-133.389 1.00 0.38 C ATOM 1055 CG ARG A 79 59.900 28.574-133.027 1.00 0.39 C ATOM 1056 CD ARG A 79 59.822 27.429-134.037 1.00 0.39 C ATOM 1057 NE ARG A 79 58.573 26.649-133.809 1.00 1.50 N ATOM 1058 CZ ARG A 79 58.145 25.822-134.722 1.00 2.14 C ATOM 1059 NH1 ARG A 79 58.810 25.677-135.835 1.00 2.28 N ATOM 1060 NH2 ARG A 79 57.052 25.138-134.522 1.00 3.27 N ATOM 0 H ARG A 79 58.227 32.052-133.681 1.00 0.29 H new ATOM 0 HA ARG A 79 57.869 30.146-131.562 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.928 29.176-133.676 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.214 30.220-134.249 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.902 29.004-133.025 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.713 28.199-132.021 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.836 27.824-135.053 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.692 26.780-133.935 1.00 0.39 H new ATOM 0 HE ARG A 79 58.053 26.762-132.939 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.665 26.211-135.991 1.00 2.28 H new ATOM 0 HH12 ARG A 79 58.475 25.030-136.549 1.00 2.28 H new ATOM 0 HH21 ARG A 79 56.532 25.250-133.652 1.00 3.27 H new ATOM 0 HH22 ARG A 79 56.717 24.491-135.236 1.00 3.27 H new ATOM 1074 N ASN A 80 60.720 31.739-131.678 1.00 0.23 N ATOM 1075 CA ASN A 80 61.990 31.957-130.924 1.00 0.21 C ATOM 1076 C ASN A 80 61.663 32.706-129.636 1.00 0.21 C ATOM 1077 O ASN A 80 62.380 32.629-128.657 1.00 0.22 O ATOM 1078 CB ASN A 80 62.961 32.783-131.771 1.00 0.23 C ATOM 1079 CG ASN A 80 63.611 31.884-132.826 1.00 0.30 C ATOM 1080 OD1 ASN A 80 64.362 32.351-133.658 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.353 30.605-132.825 1.00 1.15 N ATOM 0 H ASN A 80 60.521 32.432-132.400 1.00 0.23 H new ATOM 0 HA ASN A 80 62.456 30.999-130.692 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.431 33.604-132.254 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.727 33.228-131.135 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.782 29.998-133.523 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.722 30.213-132.126 1.00 1.15 H new ATOM 1088 N LEU A 81 60.537 33.362-129.605 1.00 0.23 N ATOM 1089 CA LEU A 81 60.116 34.043-128.357 1.00 0.28 C ATOM 1090 C LEU A 81 59.520 32.946-127.500 1.00 0.30 C ATOM 1091 O LEU A 81 59.915 32.713-126.379 1.00 0.31 O ATOM 1092 CB LEU A 81 59.061 35.108-128.665 1.00 0.35 C ATOM 1093 CG LEU A 81 59.744 36.355-129.231 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.704 37.238-129.922 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.398 37.138-128.091 1.00 1.26 C ATOM 0 H LEU A 81 59.893 33.454-130.391 1.00 0.23 H new ATOM 0 HA LEU A 81 60.945 34.549-127.862 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.336 34.721-129.381 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.510 35.362-127.759 1.00 0.35 H new ATOM 0 HG LEU A 81 60.504 36.056-129.953 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.191 38.126-130.325 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.235 36.681-130.733 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.943 37.537-129.201 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.885 38.027-128.493 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.636 37.436-127.370 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.139 36.510-127.597 1.00 1.26 H new ATOM 1107 N ASN A 82 58.599 32.233-128.074 1.00 0.35 N ATOM 1108 CA ASN A 82 57.973 31.087-127.387 1.00 0.42 C ATOM 1109 C ASN A 82 59.079 30.237-126.775 1.00 0.37 C ATOM 1110 O ASN A 82 59.135 30.040-125.578 1.00 0.38 O ATOM 1111 CB ASN A 82 57.195 30.287-128.440 1.00 0.51 C ATOM 1112 CG ASN A 82 55.776 30.846-128.565 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.842 30.288-128.024 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.575 31.930-129.262 1.00 0.98 N ATOM 0 H ASN A 82 58.248 32.405-129.016 1.00 0.35 H new ATOM 0 HA ASN A 82 57.295 31.406-126.596 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.704 30.342-129.402 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.159 29.235-128.158 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.633 32.310-129.353 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.360 32.397-129.716 1.00 0.98 H new ATOM 1121 N VAL A 83 59.973 29.749-127.585 1.00 0.35 N ATOM 1122 CA VAL A 83 61.092 28.933-127.044 1.00 0.36 C ATOM 1123 C VAL A 83 61.776 29.730-125.933 1.00 0.32 C ATOM 1124 O VAL A 83 61.957 29.252-124.836 1.00 0.35 O ATOM 1125 CB VAL A 83 62.100 28.641-128.159 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.228 27.766-127.612 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.394 27.907-129.302 1.00 0.44 C ATOM 0 H VAL A 83 59.978 29.879-128.597 1.00 0.35 H new ATOM 0 HA VAL A 83 60.713 27.989-126.652 1.00 0.36 H new ATOM 0 HB VAL A 83 62.516 29.579-128.528 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.945 27.558-128.406 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.730 28.287-126.797 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.814 26.828-127.243 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.110 27.698-130.097 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.979 26.970-128.931 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.589 28.530-129.693 1.00 0.44 H new ATOM 1137 N ILE A 84 62.154 30.948-126.216 1.00 0.27 N ATOM 1138 CA ILE A 84 62.819 31.767-125.167 1.00 0.30 C ATOM 1139 C ILE A 84 62.012 31.673-123.867 1.00 0.31 C ATOM 1140 O ILE A 84 62.540 31.372-122.810 1.00 0.37 O ATOM 1141 CB ILE A 84 62.889 33.220-125.610 1.00 0.34 C ATOM 1142 CG1 ILE A 84 64.027 33.377-126.615 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.158 34.109-124.394 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.779 34.617-127.462 1.00 0.37 C ATOM 0 H ILE A 84 62.032 31.406-127.119 1.00 0.27 H new ATOM 0 HA ILE A 84 63.830 31.392-125.005 1.00 0.30 H new ATOM 0 HB ILE A 84 61.946 33.513-126.071 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.980 33.463-126.093 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.091 32.494-127.251 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.209 35.151-124.709 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.353 33.988-123.669 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.105 33.822-123.936 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.589 34.734-128.182 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.833 34.511-127.994 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.737 35.495-126.818 1.00 0.37 H new ATOM 1156 N LEU A 85 60.735 31.939-123.937 1.00 0.35 N ATOM 1157 CA LEU A 85 59.888 31.881-122.710 1.00 0.42 C ATOM 1158 C LEU A 85 59.886 30.458-122.152 1.00 0.42 C ATOM 1159 O LEU A 85 59.973 30.255-120.961 1.00 0.47 O ATOM 1160 CB LEU A 85 58.459 32.299-123.055 1.00 0.54 C ATOM 1161 CG LEU A 85 58.336 33.819-122.958 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.308 34.236-121.486 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.538 34.470-123.645 1.00 0.61 C ATOM 0 H LEU A 85 60.241 32.194-124.792 1.00 0.35 H new ATOM 0 HA LEU A 85 60.293 32.560-121.960 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.204 31.966-124.061 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.755 31.822-122.374 1.00 0.54 H new ATOM 0 HG LEU A 85 57.416 34.141-123.446 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.220 35.320-121.417 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.455 33.771-120.992 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.229 33.915-120.999 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.453 35.555-123.577 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.456 34.147-123.155 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.563 34.173-124.693 1.00 0.61 H new ATOM 1175 N ALA A 86 59.796 29.474-122.999 1.00 0.47 N ATOM 1176 CA ALA A 86 59.803 28.069-122.506 1.00 0.58 C ATOM 1177 C ALA A 86 61.198 27.748-121.972 1.00 0.59 C ATOM 1178 O ALA A 86 61.401 26.797-121.245 1.00 0.73 O ATOM 1179 CB ALA A 86 59.464 27.124-123.660 1.00 0.64 C ATOM 0 H ALA A 86 59.718 29.580-124.010 1.00 0.47 H new ATOM 0 HA ALA A 86 59.064 27.945-121.714 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.469 26.095-123.301 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.476 27.367-124.051 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.205 27.236-124.451 1.00 0.64 H new ATOM 1185 N LYS A 87 62.161 28.544-122.343 1.00 0.50 N ATOM 1186 CA LYS A 87 63.556 28.317-121.885 1.00 0.60 C ATOM 1187 C LYS A 87 63.711 28.856-120.472 1.00 0.58 C ATOM 1188 O LYS A 87 64.298 28.229-119.613 1.00 0.71 O ATOM 1189 CB LYS A 87 64.505 29.069-122.809 1.00 0.61 C ATOM 1190 CG LYS A 87 65.883 28.405-122.785 1.00 0.82 C ATOM 1191 CD LYS A 87 66.904 29.321-123.464 1.00 0.99 C ATOM 1192 CE LYS A 87 68.301 28.709-123.340 1.00 1.63 C ATOM 1193 NZ LYS A 87 69.297 29.611-123.985 1.00 2.02 N ATOM 0 H LYS A 87 62.037 29.353-122.952 1.00 0.50 H new ATOM 0 HA LYS A 87 63.784 27.251-121.900 1.00 0.60 H new ATOM 0 HB2 LYS A 87 64.111 29.074-123.825 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.586 30.109-122.494 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.185 28.206-121.757 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.844 27.444-123.297 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.646 29.455-124.515 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.886 30.308-123.003 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.554 28.562-122.290 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.323 27.727-123.813 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 70.247 29.196-123.901 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 69.058 29.729-124.990 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 69.282 30.538-123.514 1.00 2.02 H new ATOM 1207 N TYR A 88 63.169 30.010-120.220 1.00 0.45 N ATOM 1208 CA TYR A 88 63.268 30.578-118.852 1.00 0.47 C ATOM 1209 C TYR A 88 62.136 29.997-118.020 1.00 0.54 C ATOM 1210 O TYR A 88 62.197 29.932-116.809 1.00 0.58 O ATOM 1211 CB TYR A 88 63.158 32.100-118.915 1.00 0.44 C ATOM 1212 CG TYR A 88 64.429 32.650-119.514 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.561 32.826-118.709 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.481 32.966-120.876 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.745 33.322-119.266 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.667 33.461-121.433 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.797 33.638-120.628 1.00 0.61 C ATOM 1218 OH TYR A 88 67.966 34.122-121.179 1.00 0.73 O ATOM 0 H TYR A 88 62.665 30.582-120.897 1.00 0.45 H new ATOM 0 HA TYR A 88 64.228 30.326-118.401 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.298 32.393-119.518 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.002 32.510-117.917 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.520 32.579-117.658 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.608 32.828-121.497 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.618 33.461-118.645 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.709 33.706-122.484 1.00 0.62 H new ATOM 0 HH TYR A 88 67.915 34.065-122.156 1.00 0.73 H new ATOM 1228 N GLY A 89 61.093 29.589-118.678 1.00 0.59 N ATOM 1229 CA GLY A 89 59.928 29.023-117.948 1.00 0.69 C ATOM 1230 C GLY A 89 59.065 30.178-117.451 1.00 0.77 C ATOM 1231 O GLY A 89 58.590 30.184-116.333 1.00 1.09 O ATOM 0 H GLY A 89 60.995 29.622-119.693 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.350 28.372-118.603 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.265 28.413-117.110 1.00 0.69 H new ATOM 1235 N LEU A 90 58.857 31.157-118.286 1.00 0.65 N ATOM 1236 CA LEU A 90 58.024 32.321-117.892 1.00 0.75 C ATOM 1237 C LEU A 90 56.766 32.353-118.763 1.00 0.80 C ATOM 1238 O LEU A 90 55.946 33.243-118.656 1.00 1.31 O ATOM 1239 CB LEU A 90 58.829 33.599-118.115 1.00 0.82 C ATOM 1240 CG LEU A 90 58.766 34.464-116.864 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.706 35.658-117.028 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.332 34.957-116.671 1.00 1.68 C ATOM 0 H LEU A 90 59.233 31.199-119.233 1.00 0.65 H new ATOM 0 HA LEU A 90 57.739 32.242-116.843 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.865 33.353-118.348 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.432 34.147-118.969 1.00 0.82 H new ATOM 0 HG LEU A 90 59.071 33.883-115.994 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.664 36.280-116.134 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.726 35.301-117.174 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.400 36.246-117.894 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.278 35.578-115.777 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.029 35.543-117.538 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.665 34.102-116.560 1.00 1.68 H new