USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 700 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 Single : A 22 MET CE :methyl -161:sc= -0.94 (180deg=-1.82!) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -10.8! (180deg=-14.1!) USER MOD Single : A 26 ASN : amide:sc= -4.32! C(o=-4.3!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.3!) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0561) USER MOD Single : A 33 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.0012) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.147 F(o=-1,f=-0.15) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -1.67 F(o=-5.9!,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= -3.29! (180deg=-3.94!) USER MOD Single : A 52 GLN : amide:sc= -15.4! C(o=-15!,f=-24!) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= -2.43! (180deg=-2.56) 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 80 ASN :FLIP amide:sc= -0.417 F(o=-1.7!,f=-0.42) USER MOD Single : A 82 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.135 (180deg=-0.892) USER MOD Single : A 88 TYR OH : rot 158:sc= -10! USER MOD Single : A 93 LYS NZ :NH3+ 155:sc= -0.239 (180deg=-1.22!) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= -0.281 (180deg=-1.11) USER MOD Single : A 98 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 62.688 55.436-125.934 1.00 3.57 N ATOM 2 CA GLY A 17 63.711 54.307-126.059 1.00 2.94 C ATOM 3 C GLY A 17 63.519 53.055-125.275 1.00 2.17 C ATOM 4 O GLY A 17 63.581 51.963-125.805 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.764 54.029-127.112 1.00 2.94 H new ATOM 0 HA3 GLY A 17 64.684 54.716-125.788 1.00 2.94 H new ATOM 8 N GLU A 18 63.282 53.174-123.997 1.00 1.64 N ATOM 9 CA GLU A 18 63.083 51.950-123.172 1.00 0.99 C ATOM 10 C GLU A 18 64.225 50.984-123.439 1.00 0.98 C ATOM 11 O GLU A 18 65.382 51.354-123.471 1.00 1.60 O ATOM 12 CB GLU A 18 61.754 51.295-123.560 1.00 1.22 C ATOM 13 CG GLU A 18 60.747 52.379-123.949 1.00 1.64 C ATOM 14 CD GLU A 18 60.674 53.430-122.840 1.00 2.48 C ATOM 15 OE1 GLU A 18 61.106 53.132-121.739 1.00 3.13 O ATOM 16 OE2 GLU A 18 60.188 54.516-123.111 1.00 3.09 O ATOM 0 H GLU A 18 63.218 54.058-123.492 1.00 1.64 H new ATOM 0 HA GLU A 18 63.064 52.210-122.114 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.904 50.607-124.392 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.369 50.707-122.727 1.00 1.22 H new ATOM 0 HG2 GLU A 18 61.044 52.846-124.888 1.00 1.64 H new ATOM 0 HG3 GLU A 18 59.764 51.936-124.110 1.00 1.64 H new ATOM 23 N GLU A 19 63.898 49.759-123.669 1.00 0.57 N ATOM 24 CA GLU A 19 64.939 48.750-123.983 1.00 0.55 C ATOM 25 C GLU A 19 64.828 48.454-125.474 1.00 0.56 C ATOM 26 O GLU A 19 65.782 48.545-126.222 1.00 0.63 O ATOM 27 CB GLU A 19 64.697 47.473-123.166 1.00 0.45 C ATOM 28 CG GLU A 19 63.239 47.025-123.304 1.00 0.38 C ATOM 29 CD GLU A 19 62.313 48.097-122.729 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.766 48.852-121.884 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.166 48.146-123.142 1.00 2.06 O ATOM 0 H GLU A 19 62.943 49.402-123.654 1.00 0.57 H new ATOM 0 HA GLU A 19 65.934 49.119-123.733 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.362 46.681-123.510 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.932 47.654-122.117 1.00 0.45 H new ATOM 0 HG2 GLU A 19 63.000 46.849-124.353 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.088 46.081-122.780 1.00 0.38 H new ATOM 38 N PHE A 20 63.649 48.114-125.899 1.00 0.51 N ATOM 39 CA PHE A 20 63.409 47.815-127.337 1.00 0.54 C ATOM 40 C PHE A 20 62.359 48.790-127.843 1.00 0.55 C ATOM 41 O PHE A 20 62.008 49.728-127.155 1.00 0.57 O ATOM 42 CB PHE A 20 62.892 46.385-127.479 1.00 0.52 C ATOM 43 CG PHE A 20 63.755 45.468-126.653 1.00 0.52 C ATOM 44 CD1 PHE A 20 65.087 45.245-127.012 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.220 44.852-125.521 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.887 44.399-126.232 1.00 0.82 C ATOM 47 CE2 PHE A 20 64.017 44.008-124.739 1.00 0.51 C ATOM 48 CZ PHE A 20 65.351 43.782-125.094 1.00 0.56 C ATOM 0 H PHE A 20 62.826 48.029-125.303 1.00 0.51 H new ATOM 0 HA PHE A 20 64.331 47.915-127.910 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.855 46.325-127.149 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.912 46.080-128.525 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.499 45.723-127.888 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.190 45.027-125.248 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.916 44.223-126.508 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.603 43.532-123.863 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.968 43.132-124.491 1.00 0.56 H new ATOM 58 N ARG A 21 61.837 48.604-129.022 1.00 0.57 N ATOM 59 CA ARG A 21 60.807 49.549-129.519 1.00 0.60 C ATOM 60 C ARG A 21 59.592 48.739-129.950 1.00 0.57 C ATOM 61 O ARG A 21 58.680 49.239-130.578 1.00 0.59 O ATOM 62 CB ARG A 21 61.359 50.291-130.727 1.00 0.69 C ATOM 63 CG ARG A 21 62.625 51.052-130.330 1.00 0.74 C ATOM 64 CD ARG A 21 63.165 51.813-131.542 1.00 0.82 C ATOM 65 NE ARG A 21 64.637 51.997-131.397 1.00 1.35 N ATOM 66 CZ ARG A 21 65.356 52.347-132.429 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.787 52.533-133.588 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.645 52.509-132.302 1.00 2.72 N ATOM 0 H ARG A 21 62.078 47.843-129.657 1.00 0.57 H new ATOM 0 HA ARG A 21 60.535 50.263-128.741 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.583 49.586-131.528 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.612 50.985-131.112 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.405 51.747-129.520 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.378 50.357-129.959 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.945 51.264-132.457 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.673 52.782-131.625 1.00 0.82 H new ATOM 0 HE ARG A 21 65.083 51.849-130.491 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.780 52.405-133.688 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.349 52.806-134.394 1.00 2.06 H new ATOM 0 HH21 ARG A 21 67.091 52.362-131.396 1.00 2.72 H new ATOM 0 HH22 ARG A 21 67.207 52.782-133.108 1.00 2.72 H new ATOM 82 N MET A 22 59.574 47.487-129.597 1.00 0.54 N ATOM 83 CA MET A 22 58.423 46.616-129.954 1.00 0.55 C ATOM 84 C MET A 22 57.598 46.373-128.692 1.00 0.49 C ATOM 85 O MET A 22 58.131 46.101-127.631 1.00 0.63 O ATOM 86 CB MET A 22 58.933 45.282-130.501 1.00 0.61 C ATOM 87 CG MET A 22 59.506 45.488-131.904 1.00 0.71 C ATOM 88 SD MET A 22 58.230 46.181-132.985 1.00 1.14 S ATOM 89 CE MET A 22 57.446 44.615-133.445 1.00 1.25 C ATOM 0 H MET A 22 60.315 47.025-129.071 1.00 0.54 H new ATOM 0 HA MET A 22 57.812 47.096-130.718 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.699 44.876-129.840 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.121 44.556-130.532 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.365 46.158-131.862 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.861 44.539-132.306 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.859 44.755-134.352 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.214 43.862-133.622 1.00 1.25 H new ATOM 0 HE3 MET A 22 56.793 44.284-132.637 1.00 1.25 H new ATOM 99 N GLU A 23 56.307 46.490-128.785 1.00 0.47 N ATOM 100 CA GLU A 23 55.460 46.294-127.580 1.00 0.46 C ATOM 101 C GLU A 23 55.605 44.874-127.035 1.00 0.50 C ATOM 102 O GLU A 23 55.695 44.681-125.839 1.00 0.50 O ATOM 103 CB GLU A 23 53.996 46.562-127.932 1.00 0.50 C ATOM 104 CG GLU A 23 53.847 48.000-128.434 1.00 1.45 C ATOM 105 CD GLU A 23 52.385 48.266-128.797 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.623 47.313-128.839 1.00 2.68 O ATOM 107 OE2 GLU A 23 52.051 49.416-129.028 1.00 2.48 O ATOM 0 H GLU A 23 55.801 46.713-129.642 1.00 0.47 H new ATOM 0 HA GLU A 23 55.788 46.993-126.811 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.661 45.862-128.697 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.366 46.404-127.057 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.175 48.700-127.666 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.484 48.160-129.304 1.00 1.45 H new ATOM 114 N LYS A 24 55.627 43.869-127.869 1.00 0.54 N ATOM 115 CA LYS A 24 55.763 42.488-127.336 1.00 0.59 C ATOM 116 C LYS A 24 56.998 42.402-126.449 1.00 0.53 C ATOM 117 O LYS A 24 56.923 42.013-125.301 1.00 0.55 O ATOM 118 CB LYS A 24 55.904 41.506-128.500 1.00 0.67 C ATOM 119 CG LYS A 24 56.959 42.027-129.477 1.00 0.64 C ATOM 120 CD LYS A 24 56.853 41.262-130.797 1.00 0.77 C ATOM 121 CE LYS A 24 58.025 41.644-131.704 1.00 1.46 C ATOM 122 NZ LYS A 24 59.289 41.091-131.142 1.00 2.09 N ATOM 0 H LYS A 24 55.557 43.945-128.884 1.00 0.54 H new ATOM 0 HA LYS A 24 54.879 42.237-126.751 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.191 40.522-128.128 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.947 41.388-129.009 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.815 43.094-129.650 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.955 41.905-129.052 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.860 40.188-130.609 1.00 0.77 H new ATOM 0 HD3 LYS A 24 55.908 41.493-131.289 1.00 0.77 H new ATOM 0 HE2 LYS A 24 57.862 41.257-132.710 1.00 1.46 H new ATOM 0 HE3 LYS A 24 58.096 42.728-131.788 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 60.102 41.562-131.587 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 59.313 41.255-130.115 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 59.335 40.069-131.331 1.00 2.09 H new ATOM 136 N LEU A 25 58.138 42.760-126.966 1.00 0.47 N ATOM 137 CA LEU A 25 59.383 42.701-126.157 1.00 0.42 C ATOM 138 C LEU A 25 59.227 43.528-124.886 1.00 0.39 C ATOM 139 O LEU A 25 59.417 43.047-123.797 1.00 0.55 O ATOM 140 CB LEU A 25 60.527 43.299-126.976 1.00 0.43 C ATOM 141 CG LEU A 25 61.174 42.232-127.854 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.249 42.740-129.297 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.586 41.961-127.335 1.00 1.03 C ATOM 0 H LEU A 25 58.261 43.094-127.922 1.00 0.47 H new ATOM 0 HA LEU A 25 59.588 41.663-125.894 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.150 44.110-127.599 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.273 43.730-126.308 1.00 0.43 H new ATOM 0 HG LEU A 25 60.585 41.315-127.825 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.711 41.980-129.927 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.244 42.951-129.661 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.846 43.651-129.331 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.061 41.200-127.954 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.171 42.879-127.377 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.534 41.610-126.304 1.00 1.03 H new ATOM 155 N ASN A 26 58.903 44.778-125.029 1.00 0.39 N ATOM 156 CA ASN A 26 58.763 45.629-123.816 1.00 0.37 C ATOM 157 C ASN A 26 57.886 44.882-122.809 1.00 0.40 C ATOM 158 O ASN A 26 58.265 44.641-121.680 1.00 0.40 O ATOM 159 CB ASN A 26 58.117 46.965-124.173 1.00 0.41 C ATOM 160 CG ASN A 26 58.803 47.538-125.416 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.508 46.834-126.112 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.630 48.793-125.723 1.00 0.45 N ATOM 0 H ASN A 26 58.731 45.245-125.919 1.00 0.39 H new ATOM 0 HA ASN A 26 59.746 45.830-123.390 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.052 46.829-124.361 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.208 47.661-123.339 1.00 0.41 H new ATOM 0 HD21 ASN A 26 59.086 49.184-126.547 1.00 0.45 H new ATOM 0 HD22 ASN A 26 58.038 49.384-125.139 1.00 0.45 H new ATOM 169 N GLN A 27 56.711 44.531-123.229 1.00 0.44 N ATOM 170 CA GLN A 27 55.769 43.811-122.331 1.00 0.50 C ATOM 171 C GLN A 27 56.503 42.669-121.628 1.00 0.47 C ATOM 172 O GLN A 27 56.487 42.569-120.416 1.00 0.48 O ATOM 173 CB GLN A 27 54.603 43.250-123.146 1.00 0.59 C ATOM 174 CG GLN A 27 53.670 44.391-123.554 1.00 0.58 C ATOM 175 CD GLN A 27 52.700 44.693-122.410 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.222 43.792-121.751 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.389 45.932-122.143 1.00 2.02 N ATOM 0 H GLN A 27 56.355 44.713-124.167 1.00 0.44 H new ATOM 0 HA GLN A 27 55.382 44.505-121.585 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.978 42.738-124.032 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.057 42.512-122.559 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.251 45.281-123.796 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.116 44.118-124.452 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.790 46.689-122.696 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.745 46.143-121.381 1.00 2.02 H new ATOM 186 N LEU A 28 57.150 41.801-122.361 1.00 0.47 N ATOM 187 CA LEU A 28 57.875 40.672-121.700 1.00 0.47 C ATOM 188 C LEU A 28 59.062 41.224-120.910 1.00 0.39 C ATOM 189 O LEU A 28 59.508 40.645-119.940 1.00 0.50 O ATOM 190 CB LEU A 28 58.386 39.701-122.769 1.00 0.50 C ATOM 191 CG LEU A 28 57.223 39.267-123.664 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.693 39.207-125.119 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.737 37.882-123.230 1.00 1.21 C ATOM 0 H LEU A 28 57.209 41.823-123.379 1.00 0.47 H new ATOM 0 HA LEU A 28 57.197 40.150-121.025 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.161 40.179-123.368 1.00 0.50 H new ATOM 0 HB3 LEU A 28 58.840 38.830-122.297 1.00 0.50 H new ATOM 0 HG LEU A 28 56.408 39.985-123.574 1.00 0.62 H new ATOM 0 HD11 LEU A 28 56.865 38.898-125.756 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.042 40.192-125.430 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.508 38.488-125.209 1.00 1.41 H new ATOM 0 HD21 LEU A 28 55.908 37.571-123.866 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.553 37.165-123.321 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.403 37.922-122.193 1.00 1.21 H new ATOM 205 N TRP A 29 59.564 42.349-121.325 1.00 0.37 N ATOM 206 CA TRP A 29 60.712 42.955-120.603 1.00 0.30 C ATOM 207 C TRP A 29 60.229 43.333-119.216 1.00 0.36 C ATOM 208 O TRP A 29 60.709 42.826-118.206 1.00 0.39 O ATOM 209 CB TRP A 29 61.209 44.200-121.336 1.00 0.32 C ATOM 210 CG TRP A 29 62.408 44.751-120.633 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.630 46.065-120.423 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.549 44.044-120.050 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.825 46.217-119.750 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.429 45.003-119.495 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.904 42.684-119.945 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.614 44.629-118.861 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.096 42.306-119.307 1.00 0.37 C ATOM 218 CH2 TRP A 29 65.949 43.278-118.766 1.00 0.41 C ATOM 0 H TRP A 29 59.230 42.875-122.132 1.00 0.37 H new ATOM 0 HA TRP A 29 61.539 42.247-120.548 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.462 43.951-122.367 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.420 44.951-121.374 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.978 46.868-120.732 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.215 47.118-119.474 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.254 41.927-120.358 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.269 45.381-118.446 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.357 41.261-119.233 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.865 42.981-118.276 1.00 0.41 H new ATOM 229 N GLU A 30 59.262 44.200-119.150 1.00 0.45 N ATOM 230 CA GLU A 30 58.710 44.601-117.840 1.00 0.56 C ATOM 231 C GLU A 30 58.321 43.343-117.068 1.00 0.50 C ATOM 232 O GLU A 30 58.513 43.249-115.872 1.00 0.52 O ATOM 233 CB GLU A 30 57.466 45.461-118.084 1.00 0.68 C ATOM 234 CG GLU A 30 57.881 46.925-118.245 1.00 0.86 C ATOM 235 CD GLU A 30 58.403 47.458-116.910 1.00 1.53 C ATOM 236 OE1 GLU A 30 58.120 46.841-115.897 1.00 2.33 O ATOM 237 OE2 GLU A 30 59.077 48.475-116.924 1.00 2.06 O ATOM 0 H GLU A 30 58.830 44.649-119.957 1.00 0.45 H new ATOM 0 HA GLU A 30 59.445 45.167-117.267 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.944 45.119-118.978 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.771 45.359-117.251 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.652 47.013-119.010 1.00 0.86 H new ATOM 0 HG3 GLU A 30 57.031 47.520-118.579 1.00 0.86 H new ATOM 244 N LYS A 31 57.776 42.369-117.749 1.00 0.46 N ATOM 245 CA LYS A 31 57.376 41.111-117.064 1.00 0.45 C ATOM 246 C LYS A 31 58.595 40.511-116.366 1.00 0.43 C ATOM 247 O LYS A 31 58.567 40.231-115.181 1.00 0.46 O ATOM 248 CB LYS A 31 56.841 40.122-118.100 1.00 0.44 C ATOM 249 CG LYS A 31 55.436 39.665-117.704 1.00 0.91 C ATOM 250 CD LYS A 31 54.999 38.513-118.609 1.00 0.99 C ATOM 251 CE LYS A 31 54.515 39.069-119.952 1.00 1.36 C ATOM 252 NZ LYS A 31 53.122 39.579-119.804 1.00 2.08 N ATOM 0 H LYS A 31 57.592 42.394-118.752 1.00 0.46 H new ATOM 0 HA LYS A 31 56.600 41.321-116.327 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.817 40.590-119.084 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.506 39.262-118.172 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.426 39.346-116.662 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.735 40.495-117.790 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.830 37.826-118.767 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.202 37.944-118.131 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.174 39.871-120.285 1.00 1.36 H new ATOM 0 HE3 LYS A 31 54.550 38.291-120.714 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.720 39.767-120.744 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.542 38.868-119.315 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.131 40.459-119.249 1.00 2.08 H new ATOM 266 N ALA A 32 59.671 40.308-117.078 1.00 0.41 N ATOM 267 CA ALA A 32 60.865 39.728-116.413 1.00 0.41 C ATOM 268 C ALA A 32 61.208 40.602-115.214 1.00 0.41 C ATOM 269 O ALA A 32 61.151 40.160-114.078 1.00 0.42 O ATOM 270 CB ALA A 32 62.048 39.695-117.381 1.00 0.42 C ATOM 0 H ALA A 32 59.772 40.515-118.072 1.00 0.41 H new ATOM 0 HA ALA A 32 60.654 38.707-116.095 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.916 39.267-116.880 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.792 39.085-118.247 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.280 40.709-117.707 1.00 0.42 H new ATOM 276 N GLN A 33 61.560 41.845-115.425 1.00 0.43 N ATOM 277 CA GLN A 33 61.890 42.693-114.251 1.00 0.47 C ATOM 278 C GLN A 33 60.837 42.458-113.176 1.00 0.49 C ATOM 279 O GLN A 33 61.123 42.470-111.996 1.00 0.53 O ATOM 280 CB GLN A 33 61.888 44.167-114.664 1.00 0.51 C ATOM 281 CG GLN A 33 62.993 44.409-115.698 1.00 0.53 C ATOM 282 CD GLN A 33 62.805 45.788-116.332 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.401 46.754-115.900 1.00 1.17 O ATOM 284 NE2 GLN A 33 61.993 45.921-117.346 1.00 1.23 N ATOM 0 H GLN A 33 61.631 42.297-116.337 1.00 0.43 H new ATOM 0 HA GLN A 33 62.878 42.436-113.868 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.918 44.437-115.082 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.047 44.801-113.791 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.971 44.346-115.222 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.962 43.636-116.466 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.493 45.109-117.709 1.00 1.23 H new ATOM 0 HE22 GLN A 33 61.859 46.836-117.776 1.00 1.23 H new ATOM 293 N ARG A 34 59.618 42.233-113.578 1.00 0.49 N ATOM 294 CA ARG A 34 58.545 41.987-112.583 1.00 0.52 C ATOM 295 C ARG A 34 58.867 40.720-111.807 1.00 0.52 C ATOM 296 O ARG A 34 58.679 40.653-110.609 1.00 0.55 O ATOM 297 CB ARG A 34 57.208 41.821-113.301 1.00 0.56 C ATOM 298 CG ARG A 34 56.267 42.961-112.905 1.00 0.67 C ATOM 299 CD ARG A 34 55.667 42.675-111.527 1.00 1.59 C ATOM 300 NE ARG A 34 54.804 43.818-111.115 1.00 1.96 N ATOM 301 CZ ARG A 34 53.961 43.677-110.129 1.00 2.81 C ATOM 302 NH1 ARG A 34 53.875 42.535-109.502 1.00 3.42 N ATOM 303 NH2 ARG A 34 53.204 44.677-109.768 1.00 3.58 N ATOM 0 H ARG A 34 59.321 42.209-114.553 1.00 0.49 H new ATOM 0 HA ARG A 34 58.481 42.832-111.897 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.361 41.821-114.380 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.762 40.861-113.042 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.811 43.906-112.887 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.473 43.064-113.644 1.00 0.67 H new ATOM 0 HD2 ARG A 34 55.082 41.756-111.557 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.462 42.524-110.797 1.00 1.59 H new ATOM 0 HE ARG A 34 54.872 44.711-111.604 1.00 1.96 H new ATOM 0 HH11 ARG A 34 54.467 41.753-109.783 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.216 42.425-108.731 1.00 3.42 H new ATOM 0 HH21 ARG A 34 53.271 45.570-110.257 1.00 3.58 H new ATOM 0 HH22 ARG A 34 52.545 44.566-108.997 1.00 3.58 H new ATOM 317 N LEU A 35 59.388 39.723-112.464 1.00 0.50 N ATOM 318 CA LEU A 35 59.754 38.486-111.730 1.00 0.54 C ATOM 319 C LEU A 35 61.023 38.794-110.949 1.00 0.55 C ATOM 320 O LEU A 35 61.438 38.057-110.076 1.00 0.61 O ATOM 321 CB LEU A 35 60.009 37.347-112.719 1.00 0.57 C ATOM 322 CG LEU A 35 58.674 36.760-113.178 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.035 37.687-114.214 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.912 35.384-113.804 1.00 0.84 C ATOM 0 H LEU A 35 59.574 39.712-113.467 1.00 0.50 H new ATOM 0 HA LEU A 35 58.951 38.176-111.062 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.570 37.716-113.577 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.616 36.573-112.250 1.00 0.57 H new ATOM 0 HG LEU A 35 58.008 36.661-112.321 1.00 0.68 H new ATOM 0 HD11 LEU A 35 57.083 37.267-114.540 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.866 38.668-113.769 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.700 37.788-115.072 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.961 34.964-114.132 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.579 35.484-114.660 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.366 34.722-113.066 1.00 0.84 H new ATOM 336 N HIS A 36 61.632 39.903-111.268 1.00 0.53 N ATOM 337 CA HIS A 36 62.882 40.322-110.561 1.00 0.58 C ATOM 338 C HIS A 36 64.006 39.307-110.796 1.00 0.49 C ATOM 339 O HIS A 36 64.480 38.660-109.883 1.00 1.37 O ATOM 340 CB HIS A 36 62.607 40.441-109.059 1.00 0.98 C ATOM 341 CG HIS A 36 62.089 41.818-108.751 1.00 1.43 C ATOM 342 ND1 HIS A 36 60.970 42.493-109.173 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.755 42.685-107.899 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.939 43.758-108.593 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.037 43.822-107.836 1.00 2.17 N flip ATOM 0 H HIS A 36 61.316 40.545-111.995 1.00 0.53 H new ATOM 0 HA HIS A 36 63.197 41.288-110.957 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.879 39.690-108.751 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.520 40.250-108.495 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.268 42.123-109.814 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.681 42.485-107.380 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.188 44.523-108.727 1.00 2.32 H new ATOM 353 N LEU A 37 64.427 39.170-112.019 1.00 0.59 N ATOM 354 CA LEU A 37 65.517 38.195-112.315 1.00 0.43 C ATOM 355 C LEU A 37 66.864 38.901-112.127 1.00 0.44 C ATOM 356 O LEU A 37 67.079 39.973-112.657 1.00 0.42 O ATOM 357 CB LEU A 37 65.438 37.706-113.762 1.00 0.53 C ATOM 358 CG LEU A 37 64.003 37.334-114.123 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.309 38.546-114.742 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.027 36.193-115.141 1.00 0.82 C ATOM 0 H LEU A 37 64.069 39.685-112.823 1.00 0.59 H new ATOM 0 HA LEU A 37 65.413 37.342-111.644 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.799 38.484-114.435 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.089 36.842-113.896 1.00 0.53 H new ATOM 0 HG LEU A 37 63.465 37.022-113.228 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.283 38.285-115.002 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.304 39.368-114.026 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.844 38.852-115.641 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.005 35.920-115.405 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.560 36.515-116.036 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.533 35.330-114.708 1.00 0.82 H new ATOM 372 N PRO A 38 67.771 38.312-111.387 1.00 0.57 N ATOM 373 CA PRO A 38 69.102 38.935-111.172 1.00 0.66 C ATOM 374 C PRO A 38 69.718 39.351-112.500 1.00 0.58 C ATOM 375 O PRO A 38 69.323 38.869-113.531 1.00 0.52 O ATOM 376 CB PRO A 38 69.901 37.799-110.533 1.00 0.81 C ATOM 377 CG PRO A 38 68.925 36.680-110.139 1.00 0.82 C ATOM 378 CD PRO A 38 67.545 36.999-110.729 1.00 0.69 C ATOM 0 HA PRO A 38 69.070 39.838-110.563 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.648 37.422-111.231 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.438 38.160-109.656 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.282 35.719-110.511 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.862 36.598-109.054 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.223 36.239-111.441 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.778 37.059-109.957 1.00 0.69 H new ATOM 386 N PRO A 39 70.673 40.229-112.488 1.00 0.62 N ATOM 387 CA PRO A 39 71.312 40.667-113.753 1.00 0.60 C ATOM 388 C PRO A 39 71.780 39.474-114.592 1.00 0.53 C ATOM 389 O PRO A 39 71.559 39.406-115.772 1.00 0.51 O ATOM 390 CB PRO A 39 72.499 41.494-113.254 1.00 0.74 C ATOM 391 CG PRO A 39 72.386 41.652-111.730 1.00 0.81 C ATOM 392 CD PRO A 39 71.185 40.836-111.235 1.00 0.74 C ATOM 0 HA PRO A 39 70.638 41.220-114.407 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.437 41.003-113.514 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.507 42.472-113.735 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.300 41.309-111.246 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.262 42.703-111.468 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.480 40.079-110.508 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.437 41.466-110.754 1.00 0.74 H new ATOM 400 N VAL A 40 72.473 38.567-113.979 1.00 0.52 N ATOM 401 CA VAL A 40 73.021 37.386-114.707 1.00 0.47 C ATOM 402 C VAL A 40 71.915 36.665-115.480 1.00 0.41 C ATOM 403 O VAL A 40 72.003 36.456-116.681 1.00 0.37 O ATOM 404 CB VAL A 40 73.643 36.426-113.688 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.563 35.513-113.103 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.716 35.577-114.372 1.00 0.50 C ATOM 0 H VAL A 40 72.691 38.589-112.983 1.00 0.52 H new ATOM 0 HA VAL A 40 73.774 37.723-115.420 1.00 0.47 H new ATOM 0 HB VAL A 40 74.095 37.005-112.883 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.014 34.834-112.379 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.804 36.118-112.608 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.101 34.936-113.904 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.158 34.895-113.646 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.265 35.003-115.181 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.491 36.227-114.777 1.00 0.50 H new ATOM 416 N ARG A 41 70.869 36.298-114.810 1.00 0.42 N ATOM 417 CA ARG A 41 69.756 35.598-115.505 1.00 0.40 C ATOM 418 C ARG A 41 68.942 36.626-116.276 1.00 0.34 C ATOM 419 O ARG A 41 68.279 36.317-117.254 1.00 0.30 O ATOM 420 CB ARG A 41 68.862 34.901-114.477 1.00 0.46 C ATOM 421 CG ARG A 41 67.754 34.134-115.205 1.00 0.87 C ATOM 422 CD ARG A 41 66.811 33.499-114.181 1.00 1.00 C ATOM 423 NE ARG A 41 65.884 32.563-114.876 1.00 1.53 N ATOM 424 CZ ARG A 41 65.194 31.695-114.188 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.311 31.650-112.889 1.00 2.54 N ATOM 426 NH2 ARG A 41 64.385 30.873-114.799 1.00 3.12 N ATOM 0 H ARG A 41 70.732 36.450-113.811 1.00 0.42 H new ATOM 0 HA ARG A 41 70.157 34.850-116.189 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.454 34.217-113.868 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.427 35.636-113.800 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.199 34.809-115.857 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.189 33.363-115.841 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.385 32.965-113.424 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.244 34.273-113.664 1.00 1.00 H new ATOM 0 HE ARG A 41 65.788 32.601-115.891 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.942 32.293-112.411 1.00 2.54 H new ATOM 0 HH12 ARG A 41 64.771 30.971-112.352 1.00 2.54 H new ATOM 0 HH21 ARG A 41 64.292 30.909-115.814 1.00 3.12 H new ATOM 0 HH22 ARG A 41 63.846 30.194-114.261 1.00 3.12 H new ATOM 440 N LEU A 42 69.004 37.855-115.852 1.00 0.35 N ATOM 441 CA LEU A 42 68.243 38.909-116.564 1.00 0.30 C ATOM 442 C LEU A 42 69.009 39.279-117.822 1.00 0.31 C ATOM 443 O LEU A 42 68.449 39.767-118.770 1.00 0.49 O ATOM 444 CB LEU A 42 68.051 40.137-115.672 1.00 0.32 C ATOM 445 CG LEU A 42 66.909 40.996-116.227 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.561 40.391-115.847 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.000 42.405-115.639 1.00 0.60 C ATOM 0 H LEU A 42 69.546 38.172-115.048 1.00 0.35 H new ATOM 0 HA LEU A 42 67.252 38.537-116.825 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.825 39.827-114.652 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.972 40.719-115.632 1.00 0.32 H new ATOM 0 HG LEU A 42 66.995 41.035-117.313 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.758 41.011-116.247 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.484 39.385-116.261 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.476 40.344-114.761 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.188 43.017-116.033 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.920 42.352-114.553 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.956 42.852-115.911 1.00 0.60 H new ATOM 459 N ALA A 43 70.283 39.005-117.856 1.00 0.30 N ATOM 460 CA ALA A 43 71.072 39.289-119.075 1.00 0.30 C ATOM 461 C ALA A 43 70.877 38.086-119.975 1.00 0.29 C ATOM 462 O ALA A 43 70.827 38.179-121.177 1.00 0.28 O ATOM 463 CB ALA A 43 72.553 39.450-118.720 1.00 0.36 C ATOM 0 H ALA A 43 70.810 38.594-117.085 1.00 0.30 H new ATOM 0 HA ALA A 43 70.752 40.212-119.559 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.123 39.659-119.625 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.671 40.276-118.018 1.00 0.36 H new ATOM 0 HB3 ALA A 43 72.920 38.531-118.264 1.00 0.36 H new ATOM 469 N GLU A 44 70.722 36.950-119.371 1.00 0.30 N ATOM 470 CA GLU A 44 70.469 35.748-120.197 1.00 0.32 C ATOM 471 C GLU A 44 69.203 36.062-120.998 1.00 0.30 C ATOM 472 O GLU A 44 69.220 36.145-122.211 1.00 0.34 O ATOM 473 CB GLU A 44 70.246 34.525-119.303 1.00 0.37 C ATOM 474 CG GLU A 44 70.253 33.258-120.160 1.00 1.15 C ATOM 475 CD GLU A 44 69.224 32.265-119.613 1.00 2.05 C ATOM 476 OE1 GLU A 44 69.159 32.116-118.404 1.00 2.80 O ATOM 477 OE2 GLU A 44 68.520 31.672-120.413 1.00 2.92 O ATOM 0 H GLU A 44 70.758 36.801-118.363 1.00 0.30 H new ATOM 0 HA GLU A 44 71.313 35.518-120.848 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.027 34.468-118.545 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.296 34.615-118.776 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.020 33.506-121.196 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.246 32.809-120.155 1.00 1.15 H new ATOM 484 N LEU A 45 68.108 36.249-120.314 1.00 0.28 N ATOM 485 CA LEU A 45 66.822 36.576-121.011 1.00 0.29 C ATOM 486 C LEU A 45 66.924 37.960-121.678 1.00 0.24 C ATOM 487 O LEU A 45 66.695 38.113-122.855 1.00 0.25 O ATOM 488 CB LEU A 45 65.687 36.590-119.981 1.00 0.34 C ATOM 489 CG LEU A 45 64.388 37.064-120.639 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.707 35.887-121.336 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.455 37.628-119.565 1.00 0.77 C ATOM 0 H LEU A 45 68.044 36.190-119.298 1.00 0.28 H new ATOM 0 HA LEU A 45 66.622 35.826-121.776 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.550 35.592-119.565 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.946 37.248-119.152 1.00 0.34 H new ATOM 0 HG LEU A 45 64.613 37.837-121.373 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.783 36.226-121.804 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.372 35.482-122.099 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.480 35.112-120.604 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.529 37.967-120.029 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.231 36.852-118.833 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.939 38.468-119.067 1.00 0.77 H new ATOM 503 N HIS A 46 67.259 38.959-120.916 1.00 0.21 N ATOM 504 CA HIS A 46 67.369 40.332-121.507 1.00 0.20 C ATOM 505 C HIS A 46 68.197 40.230-122.794 1.00 0.19 C ATOM 506 O HIS A 46 67.808 40.703-123.845 1.00 0.21 O ATOM 507 CB HIS A 46 68.047 41.303-120.539 1.00 0.23 C ATOM 508 CG HIS A 46 68.096 42.673-121.161 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.117 43.603-121.415 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.278 43.237-121.612 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.682 44.726-122.014 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.986 44.452-122.109 1.00 0.31 N flip ATOM 0 H HIS A 46 67.461 38.893-119.918 1.00 0.21 H new ATOM 0 HA HIS A 46 66.369 40.714-121.714 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.499 41.338-119.598 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.055 40.960-120.308 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.127 43.488-121.198 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.257 42.783-121.572 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.175 45.625-122.333 1.00 0.35 H new ATOM 520 N ALA A 47 69.337 39.605-122.705 1.00 0.19 N ATOM 521 CA ALA A 47 70.221 39.445-123.897 1.00 0.22 C ATOM 522 C ALA A 47 69.448 38.765-125.024 1.00 0.21 C ATOM 523 O ALA A 47 69.303 39.300-126.104 1.00 0.22 O ATOM 524 CB ALA A 47 71.424 38.574-123.520 1.00 0.27 C ATOM 0 H ALA A 47 69.700 39.192-121.846 1.00 0.19 H new ATOM 0 HA ALA A 47 70.560 40.426-124.229 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.073 38.454-124.388 1.00 0.27 H new ATOM 0 HB2 ALA A 47 71.981 39.052-122.714 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.075 37.595-123.190 1.00 0.27 H new ATOM 530 N ASP A 48 68.947 37.589-124.775 1.00 0.22 N ATOM 531 CA ASP A 48 68.179 36.875-125.833 1.00 0.25 C ATOM 532 C ASP A 48 67.097 37.810-126.362 1.00 0.22 C ATOM 533 O ASP A 48 66.945 37.999-127.552 1.00 0.25 O ATOM 534 CB ASP A 48 67.531 35.620-125.240 1.00 0.28 C ATOM 535 CG ASP A 48 68.622 34.654-124.775 1.00 0.31 C ATOM 536 OD1 ASP A 48 69.786 34.990-124.922 1.00 0.94 O ATOM 537 OD2 ASP A 48 68.275 33.594-124.281 1.00 0.84 O ATOM 0 H ASP A 48 69.035 37.092-123.889 1.00 0.22 H new ATOM 0 HA ASP A 48 68.845 36.580-126.643 1.00 0.25 H new ATOM 0 HB2 ASP A 48 66.889 35.891-124.402 1.00 0.28 H new ATOM 0 HB3 ASP A 48 66.897 35.138-125.985 1.00 0.28 H new ATOM 542 N LEU A 49 66.357 38.411-125.476 1.00 0.19 N ATOM 543 CA LEU A 49 65.297 39.353-125.910 1.00 0.19 C ATOM 544 C LEU A 49 65.919 40.344-126.890 1.00 0.18 C ATOM 545 O LEU A 49 65.315 40.719-127.873 1.00 0.19 O ATOM 546 CB LEU A 49 64.733 40.092-124.696 1.00 0.18 C ATOM 547 CG LEU A 49 63.875 39.127-123.874 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.223 39.883-122.716 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.786 38.522-124.763 1.00 0.89 C ATOM 0 H LEU A 49 66.442 38.289-124.467 1.00 0.19 H new ATOM 0 HA LEU A 49 64.481 38.814-126.391 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.545 40.486-124.085 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.135 40.944-125.019 1.00 0.18 H new ATOM 0 HG LEU A 49 64.506 38.330-123.480 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.612 39.196-122.131 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.997 40.312-122.080 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.594 40.681-123.111 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.177 37.835-124.175 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.156 39.318-125.159 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.249 37.981-125.588 1.00 0.89 H new ATOM 561 N LYS A 50 67.139 40.748-126.647 1.00 0.20 N ATOM 562 CA LYS A 50 67.798 41.684-127.597 1.00 0.21 C ATOM 563 C LYS A 50 68.043 40.924-128.897 1.00 0.23 C ATOM 564 O LYS A 50 67.593 41.311-129.953 1.00 0.24 O ATOM 565 CB LYS A 50 69.133 42.162-127.019 1.00 0.24 C ATOM 566 CG LYS A 50 68.915 42.718-125.610 1.00 0.36 C ATOM 567 CD LYS A 50 69.356 44.183-125.559 1.00 0.84 C ATOM 568 CE LYS A 50 70.877 44.253-125.412 1.00 1.09 C ATOM 569 NZ LYS A 50 71.517 43.416-126.464 1.00 1.84 N ATOM 0 H LYS A 50 67.700 40.473-125.841 1.00 0.20 H new ATOM 0 HA LYS A 50 67.168 42.556-127.772 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.844 41.336-126.989 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.564 42.930-127.661 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.864 42.635-125.335 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.481 42.132-124.886 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.044 44.700-126.466 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.875 44.690-124.722 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.214 45.286-125.499 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.174 43.903-124.423 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.536 43.619-126.497 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.371 42.410-126.244 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.091 43.633-127.387 1.00 1.84 H new ATOM 583 N ILE A 51 68.746 39.832-128.821 1.00 0.25 N ATOM 584 CA ILE A 51 68.998 39.052-130.059 1.00 0.27 C ATOM 585 C ILE A 51 67.671 38.998-130.816 1.00 0.26 C ATOM 586 O ILE A 51 67.548 39.491-131.931 1.00 0.25 O ATOM 587 CB ILE A 51 69.454 37.637-129.703 1.00 0.33 C ATOM 588 CG1 ILE A 51 70.962 37.638-129.444 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.140 36.690-130.864 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.290 38.656-128.350 1.00 0.30 C ATOM 0 H ILE A 51 69.152 39.450-127.967 1.00 0.25 H new ATOM 0 HA ILE A 51 69.780 39.512-130.663 1.00 0.27 H new ATOM 0 HB ILE A 51 68.929 37.302-128.808 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.291 36.644-129.141 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.499 37.886-130.360 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.466 35.681-130.609 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.066 36.688-131.052 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.664 37.025-131.759 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.364 38.658-128.165 1.00 0.30 H new ATOM 0 HD12 ILE A 51 70.976 39.649-128.671 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.764 38.388-127.434 1.00 0.30 H new ATOM 602 N GLN A 52 66.657 38.441-130.210 1.00 0.26 N ATOM 603 CA GLN A 52 65.341 38.403-130.881 1.00 0.27 C ATOM 604 C GLN A 52 64.950 39.832-131.245 1.00 0.24 C ATOM 605 O GLN A 52 64.202 40.052-132.160 1.00 0.26 O ATOM 606 CB GLN A 52 64.297 37.807-129.934 1.00 0.32 C ATOM 607 CG GLN A 52 63.022 37.489-130.716 1.00 0.45 C ATOM 608 CD GLN A 52 63.064 36.035-131.191 1.00 0.62 C ATOM 609 OE1 GLN A 52 62.422 35.178-130.617 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.798 35.719-132.222 1.00 0.48 N ATOM 0 H GLN A 52 66.690 38.015-129.284 1.00 0.26 H new ATOM 0 HA GLN A 52 65.393 37.787-131.779 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.687 36.901-129.469 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.077 38.509-129.129 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.147 37.652-130.087 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.930 38.159-131.571 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.337 36.438-132.704 1.00 0.48 H new ATOM 0 HE22 GLN A 52 63.833 34.753-132.546 1.00 0.48 H new ATOM 619 N GLU A 53 65.439 40.807-130.519 1.00 0.23 N ATOM 620 CA GLU A 53 65.074 42.217-130.848 1.00 0.23 C ATOM 621 C GLU A 53 65.761 42.623-132.147 1.00 0.20 C ATOM 622 O GLU A 53 65.224 43.368-132.934 1.00 0.21 O ATOM 623 CB GLU A 53 65.521 43.171-129.747 1.00 0.25 C ATOM 624 CG GLU A 53 65.156 44.598-130.161 1.00 0.28 C ATOM 625 CD GLU A 53 66.395 45.491-130.075 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.477 44.997-130.342 1.00 1.04 O ATOM 627 OE2 GLU A 53 66.240 46.656-129.744 1.00 1.09 O ATOM 0 H GLU A 53 66.067 40.689-129.724 1.00 0.23 H new ATOM 0 HA GLU A 53 63.990 42.274-130.948 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.037 42.915-128.805 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.596 43.087-129.586 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.762 44.603-131.177 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.370 44.986-129.513 1.00 0.28 H new ATOM 634 N ARG A 54 66.947 42.142-132.383 1.00 0.22 N ATOM 635 CA ARG A 54 67.654 42.505-133.639 1.00 0.22 C ATOM 636 C ARG A 54 66.950 41.822-134.800 1.00 0.20 C ATOM 637 O ARG A 54 66.848 42.348-135.894 1.00 0.21 O ATOM 638 CB ARG A 54 69.093 42.003-133.565 1.00 0.24 C ATOM 639 CG ARG A 54 69.906 42.919-132.654 1.00 0.27 C ATOM 640 CD ARG A 54 71.355 42.972-133.141 1.00 0.85 C ATOM 641 NE ARG A 54 72.024 41.673-132.849 1.00 1.55 N ATOM 642 CZ ARG A 54 73.158 41.378-133.425 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.708 42.223-134.253 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.741 40.239-133.169 1.00 3.03 N ATOM 0 H ARG A 54 67.457 41.514-131.761 1.00 0.22 H new ATOM 0 HA ARG A 54 67.650 43.586-133.776 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.114 40.982-133.184 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.533 41.980-134.562 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.476 43.921-132.651 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.870 42.553-131.628 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.383 43.175-134.211 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.886 43.786-132.648 1.00 0.85 H new ATOM 0 HE ARG A 54 71.596 41.014-132.199 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.252 43.114-134.450 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.594 41.993-134.703 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.311 39.580-132.520 1.00 3.03 H new ATOM 0 HH22 ARG A 54 74.627 40.007-133.618 1.00 3.03 H new ATOM 658 N ASP A 55 66.427 40.661-134.548 1.00 0.20 N ATOM 659 CA ASP A 55 65.692 39.929-135.620 1.00 0.21 C ATOM 660 C ASP A 55 64.243 40.428-135.672 1.00 0.21 C ATOM 661 O ASP A 55 63.648 40.561-136.728 1.00 0.20 O ATOM 662 CB ASP A 55 65.705 38.429-135.313 1.00 0.25 C ATOM 663 CG ASP A 55 67.137 37.901-135.414 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.973 38.611-135.949 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.373 36.795-134.956 1.00 0.94 O ATOM 0 H ASP A 55 66.474 40.183-133.648 1.00 0.20 H new ATOM 0 HA ASP A 55 66.174 40.107-136.581 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.309 38.248-134.314 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.060 37.898-136.013 1.00 0.25 H new ATOM 670 N GLU A 56 63.684 40.747-134.539 1.00 0.27 N ATOM 671 CA GLU A 56 62.292 41.263-134.508 1.00 0.32 C ATOM 672 C GLU A 56 62.304 42.664-135.078 1.00 0.30 C ATOM 673 O GLU A 56 61.563 42.981-135.976 1.00 0.31 O ATOM 674 CB GLU A 56 61.780 41.294-133.066 1.00 0.39 C ATOM 675 CG GLU A 56 61.198 39.926-132.704 1.00 0.44 C ATOM 676 CD GLU A 56 59.773 39.815-133.248 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.452 40.551-134.166 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.027 38.996-132.737 1.00 1.72 O ATOM 0 H GLU A 56 64.136 40.671-133.628 1.00 0.27 H new ATOM 0 HA GLU A 56 61.635 40.619-135.093 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.593 41.547-132.385 1.00 0.39 H new ATOM 0 HB3 GLU A 56 61.019 42.066-132.955 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.820 39.133-133.120 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.196 39.795-131.622 1.00 0.44 H new ATOM 685 N LEU A 57 63.172 43.499-134.596 1.00 0.30 N ATOM 686 CA LEU A 57 63.245 44.860-135.166 1.00 0.32 C ATOM 687 C LEU A 57 63.562 44.691-136.649 1.00 0.28 C ATOM 688 O LEU A 57 62.918 45.262-137.508 1.00 0.29 O ATOM 689 CB LEU A 57 64.351 45.667-134.481 1.00 0.36 C ATOM 690 CG LEU A 57 63.834 46.217-133.152 1.00 0.50 C ATOM 691 CD1 LEU A 57 65.006 46.766-132.337 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.831 47.341-133.421 1.00 1.22 C ATOM 0 H LEU A 57 63.827 43.300-133.840 1.00 0.30 H new ATOM 0 HA LEU A 57 62.308 45.397-135.019 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.223 45.036-134.311 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.671 46.486-135.126 1.00 0.36 H new ATOM 0 HG LEU A 57 63.345 45.418-132.594 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.638 47.158-131.389 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.722 45.967-132.145 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.495 47.565-132.895 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.462 47.734-132.474 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.320 48.139-133.979 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.995 46.952-134.003 1.00 1.22 H new ATOM 704 N ALA A 58 64.528 43.859-136.958 1.00 0.25 N ATOM 705 CA ALA A 58 64.848 43.609-138.388 1.00 0.24 C ATOM 706 C ALA A 58 63.560 43.135-139.059 1.00 0.21 C ATOM 707 O ALA A 58 63.361 43.287-140.249 1.00 0.21 O ATOM 708 CB ALA A 58 65.922 42.526-138.501 1.00 0.24 C ATOM 0 H ALA A 58 65.101 43.349-136.285 1.00 0.25 H new ATOM 0 HA ALA A 58 65.227 44.513-138.865 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.151 42.349-139.552 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.824 42.853-137.983 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.558 41.604-138.048 1.00 0.24 H new ATOM 714 N TRP A 59 62.665 42.589-138.276 1.00 0.19 N ATOM 715 CA TRP A 59 61.369 42.136-138.848 1.00 0.18 C ATOM 716 C TRP A 59 60.443 43.347-139.014 1.00 0.20 C ATOM 717 O TRP A 59 59.976 43.632-140.100 1.00 0.30 O ATOM 718 CB TRP A 59 60.697 41.106-137.945 1.00 0.19 C ATOM 719 CG TRP A 59 59.454 40.642-138.627 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.403 39.673-139.567 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.093 41.125-138.462 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.098 39.530-139.994 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.249 40.402-139.338 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.515 42.110-137.643 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.878 40.651-139.398 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.137 42.363-137.701 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.320 41.635-138.576 1.00 0.39 C ATOM 0 H TRP A 59 62.777 42.440-137.273 1.00 0.19 H new ATOM 0 HA TRP A 59 61.561 41.669-139.814 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.367 40.266-137.759 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.460 41.545-136.976 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.247 39.103-139.926 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.797 38.864-140.705 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.136 42.676-136.965 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.252 40.088-140.074 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.703 43.123-137.068 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.259 41.834-138.616 1.00 0.39 H new ATOM 738 N LYS A 60 60.172 44.065-137.951 1.00 0.27 N ATOM 739 CA LYS A 60 59.276 45.245-138.096 1.00 0.30 C ATOM 740 C LYS A 60 59.706 45.946-139.381 1.00 0.29 C ATOM 741 O LYS A 60 58.907 46.487-140.124 1.00 0.31 O ATOM 742 CB LYS A 60 59.423 46.182-136.889 1.00 0.38 C ATOM 743 CG LYS A 60 60.610 47.125-137.095 1.00 0.42 C ATOM 744 CD LYS A 60 60.127 48.408-137.772 1.00 1.08 C ATOM 745 CE LYS A 60 59.772 49.445-136.706 1.00 1.53 C ATOM 746 NZ LYS A 60 59.051 48.778-135.584 1.00 2.27 N ATOM 0 H LYS A 60 60.525 43.888-137.011 1.00 0.27 H new ATOM 0 HA LYS A 60 58.228 44.948-138.140 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.509 46.760-136.754 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.567 45.597-135.981 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.074 47.359-136.137 1.00 0.42 H new ATOM 0 HG3 LYS A 60 61.371 46.641-137.708 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.903 48.799-138.430 1.00 1.08 H new ATOM 0 HD3 LYS A 60 59.257 48.198-138.394 1.00 1.08 H new ATOM 0 HE2 LYS A 60 60.677 49.926-136.336 1.00 1.53 H new ATOM 0 HE3 LYS A 60 59.149 50.228-137.138 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.720 49.496-134.908 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 58.235 48.253-135.959 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 59.694 48.119-135.101 1.00 2.27 H new ATOM 760 N LYS A 61 60.976 45.882-139.664 1.00 0.28 N ATOM 761 CA LYS A 61 61.482 46.484-140.921 1.00 0.30 C ATOM 762 C LYS A 61 61.019 45.598-142.075 1.00 0.27 C ATOM 763 O LYS A 61 60.473 46.070-143.041 1.00 0.35 O ATOM 764 CB LYS A 61 63.009 46.557-140.910 1.00 0.35 C ATOM 765 CG LYS A 61 63.485 47.237-139.625 1.00 0.40 C ATOM 766 CD LYS A 61 64.523 48.308-139.968 1.00 0.77 C ATOM 767 CE LYS A 61 65.036 48.955-138.680 1.00 1.42 C ATOM 768 NZ LYS A 61 64.280 50.214-138.421 1.00 2.43 N ATOM 0 H LYS A 61 61.683 45.438-139.078 1.00 0.28 H new ATOM 0 HA LYS A 61 61.099 47.499-141.028 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.431 45.554-140.980 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.362 47.112-141.779 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.640 47.688-139.105 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.918 46.499-138.949 1.00 0.40 H new ATOM 0 HD2 LYS A 61 65.352 47.863-140.519 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.080 49.064-140.616 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.917 48.268-137.843 1.00 1.42 H new ATOM 0 HE3 LYS A 61 66.101 49.169-138.767 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 64.628 50.654-137.546 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 64.416 50.870-139.216 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 63.268 49.997-138.320 1.00 2.43 H new ATOM 782 N LEU A 62 61.226 44.308-141.982 1.00 0.24 N ATOM 783 CA LEU A 62 60.781 43.408-143.083 1.00 0.24 C ATOM 784 C LEU A 62 59.345 43.746-143.447 1.00 0.24 C ATOM 785 O LEU A 62 59.042 44.143-144.555 1.00 0.26 O ATOM 786 CB LEU A 62 60.807 41.954-142.610 1.00 0.24 C ATOM 787 CG LEU A 62 62.186 41.345-142.835 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.347 40.127-141.924 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.306 40.906-144.294 1.00 0.41 C ATOM 0 H LEU A 62 61.681 43.844-141.196 1.00 0.24 H new ATOM 0 HA LEU A 62 61.446 43.539-143.937 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.549 41.905-141.552 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.055 41.377-143.148 1.00 0.24 H new ATOM 0 HG LEU A 62 62.959 42.079-142.608 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.331 39.685-142.078 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.247 40.435-140.883 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.578 39.392-142.160 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.290 40.469-144.463 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.537 40.165-144.516 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.176 41.770-144.946 1.00 0.41 H new ATOM 801 N LYS A 63 58.455 43.564-142.517 1.00 0.24 N ATOM 802 CA LYS A 63 57.022 43.845-142.798 1.00 0.26 C ATOM 803 C LYS A 63 56.877 45.281-143.312 1.00 0.29 C ATOM 804 O LYS A 63 56.100 45.555-144.206 1.00 0.30 O ATOM 805 CB LYS A 63 56.196 43.665-141.520 1.00 0.34 C ATOM 806 CG LYS A 63 56.243 44.946-140.684 1.00 0.46 C ATOM 807 CD LYS A 63 55.438 44.747-139.399 1.00 0.41 C ATOM 808 CE LYS A 63 54.515 45.949-139.184 1.00 0.58 C ATOM 809 NZ LYS A 63 53.801 45.800-137.883 1.00 1.20 N ATOM 0 H LYS A 63 58.657 43.233-141.574 1.00 0.24 H new ATOM 0 HA LYS A 63 56.659 43.150-143.555 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.164 43.424-141.775 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.585 42.828-140.940 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.276 45.198-140.443 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.836 45.781-141.255 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.851 43.831-139.463 1.00 0.41 H new ATOM 0 HD3 LYS A 63 56.111 44.635-138.549 1.00 0.41 H new ATOM 0 HE2 LYS A 63 55.095 46.872-139.189 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.796 46.020-140.000 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 53.174 46.616-137.736 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.236 44.927-137.895 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.495 45.753-137.110 1.00 1.20 H new ATOM 823 N LEU A 64 57.629 46.198-142.761 1.00 0.33 N ATOM 824 CA LEU A 64 57.552 47.617-143.219 1.00 0.43 C ATOM 825 C LEU A 64 57.976 47.720-144.688 1.00 0.52 C ATOM 826 O LEU A 64 57.321 48.343-145.499 1.00 0.75 O ATOM 827 CB LEU A 64 58.503 48.449-142.351 1.00 0.38 C ATOM 828 CG LEU A 64 57.773 48.939-141.100 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.718 49.802-140.264 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.557 49.773-141.511 1.00 1.23 C ATOM 0 H LEU A 64 58.296 46.024-142.010 1.00 0.33 H new ATOM 0 HA LEU A 64 56.530 47.984-143.127 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.368 47.849-142.066 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.878 49.300-142.920 1.00 0.38 H new ATOM 0 HG LEU A 64 57.445 48.081-140.513 1.00 0.50 H new ATOM 0 HD11 LEU A 64 58.198 50.152-139.372 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.586 49.212-139.970 1.00 1.10 H new ATOM 0 HD13 LEU A 64 59.045 50.659-140.853 1.00 1.10 H new ATOM 0 HD21 LEU A 64 56.037 50.122-140.619 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.886 50.630-142.098 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.881 49.161-142.109 1.00 1.23 H new ATOM 842 N ASP A 65 59.074 47.114-145.017 1.00 0.45 N ATOM 843 CA ASP A 65 59.577 47.159-146.416 1.00 0.60 C ATOM 844 C ASP A 65 58.763 46.202-147.285 1.00 0.96 C ATOM 845 O ASP A 65 58.965 46.115-148.480 1.00 0.98 O ATOM 846 CB ASP A 65 61.049 46.744-146.442 1.00 0.53 C ATOM 847 CG ASP A 65 61.903 47.848-145.812 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.334 48.846-145.399 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.108 47.676-145.754 1.00 1.31 O ATOM 0 H ASP A 65 59.655 46.581-144.370 1.00 0.45 H new ATOM 0 HA ASP A 65 59.477 48.173-146.804 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.184 45.810-145.897 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.369 46.563-147.468 1.00 0.53 H new ATOM 854 N GLY A 66 57.848 45.475-146.702 1.00 1.30 N ATOM 855 CA GLY A 66 57.039 44.525-147.513 1.00 1.72 C ATOM 856 C GLY A 66 57.944 43.392-147.990 1.00 0.91 C ATOM 857 O GLY A 66 58.157 43.212-149.172 1.00 1.14 O ATOM 0 H GLY A 66 57.628 45.498-145.706 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.217 44.127-146.919 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.596 45.039-148.366 1.00 1.72 H new ATOM 861 N LEU A 67 58.488 42.629-147.080 1.00 0.37 N ATOM 862 CA LEU A 67 59.383 41.520-147.494 1.00 1.03 C ATOM 863 C LEU A 67 58.794 40.179-147.066 1.00 0.91 C ATOM 864 O LEU A 67 58.874 39.204-147.788 1.00 1.09 O ATOM 865 CB LEU A 67 60.756 41.708-146.850 1.00 1.69 C ATOM 866 CG LEU A 67 61.613 42.607-147.742 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.671 43.315-146.894 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.301 41.752-148.808 1.00 2.68 C ATOM 0 H LEU A 67 58.350 42.728-146.074 1.00 0.37 H new ATOM 0 HA LEU A 67 59.483 41.529-148.579 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.649 42.153-145.861 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.242 40.742-146.714 1.00 1.69 H new ATOM 0 HG LEU A 67 60.980 43.353-148.223 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.280 43.955-147.532 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.181 43.922-146.133 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.307 42.573-146.411 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.913 42.389-149.446 1.00 2.68 H new ATOM 0 HD22 LEU A 67 62.934 41.008-148.325 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.547 41.249-149.414 1.00 2.68 H new ATOM 880 N ASP A 68 58.158 40.118-145.929 1.00 0.69 N ATOM 881 CA ASP A 68 57.520 38.844-145.500 1.00 0.59 C ATOM 882 C ASP A 68 56.001 39.008-145.524 1.00 0.59 C ATOM 883 O ASP A 68 55.447 39.565-144.599 1.00 0.59 O ATOM 884 CB ASP A 68 57.930 38.552-144.056 1.00 0.53 C ATOM 885 CG ASP A 68 57.392 37.181-143.643 1.00 0.64 C ATOM 886 OD1 ASP A 68 56.755 36.544-144.465 1.00 0.97 O ATOM 887 OD2 ASP A 68 57.625 36.791-142.510 1.00 1.19 O ATOM 0 H ASP A 68 58.053 40.897-145.278 1.00 0.69 H new ATOM 0 HA ASP A 68 57.830 38.039-146.167 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.016 38.572-143.963 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.539 39.323-143.392 1.00 0.53 H new ATOM 892 N GLU A 69 55.286 38.511-146.497 1.00 0.63 N ATOM 893 CA GLU A 69 53.808 38.653-146.426 1.00 0.69 C ATOM 894 C GLU A 69 53.291 37.434-145.671 1.00 0.71 C ATOM 895 O GLU A 69 52.370 37.505-144.882 1.00 0.77 O ATOM 896 CB GLU A 69 53.217 38.686-147.837 1.00 0.73 C ATOM 897 CG GLU A 69 53.834 37.565-148.674 1.00 0.75 C ATOM 898 CD GLU A 69 53.199 37.557-150.067 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.235 38.280-150.259 1.00 2.06 O ATOM 900 OE2 GLU A 69 53.687 36.830-150.916 1.00 1.82 O ATOM 0 H GLU A 69 55.651 38.026-147.317 1.00 0.63 H new ATOM 0 HA GLU A 69 53.523 39.578-145.924 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.134 38.567-147.792 1.00 0.73 H new ATOM 0 HB3 GLU A 69 53.413 39.652-148.302 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.911 37.708-148.755 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.676 36.603-148.186 1.00 0.75 H new ATOM 907 N ASP A 70 53.917 36.314-145.912 1.00 0.72 N ATOM 908 CA ASP A 70 53.517 35.063-145.213 1.00 0.78 C ATOM 909 C ASP A 70 53.784 35.264-143.726 1.00 0.69 C ATOM 910 O ASP A 70 53.185 34.635-142.876 1.00 0.84 O ATOM 911 CB ASP A 70 54.349 33.889-145.735 1.00 0.83 C ATOM 912 CG ASP A 70 53.959 33.594-147.185 1.00 0.95 C ATOM 913 OD1 ASP A 70 53.114 34.301-147.708 1.00 1.34 O ATOM 914 OD2 ASP A 70 54.512 32.663-147.748 1.00 1.43 O ATOM 0 H ASP A 70 54.692 36.213-146.567 1.00 0.72 H new ATOM 0 HA ASP A 70 52.464 34.844-145.389 1.00 0.78 H new ATOM 0 HB2 ASP A 70 55.411 34.126-145.674 1.00 0.83 H new ATOM 0 HB3 ASP A 70 54.183 33.008-145.116 1.00 0.83 H new ATOM 919 N GLY A 71 54.677 36.161-143.418 1.00 0.50 N ATOM 920 CA GLY A 71 54.999 36.449-141.998 1.00 0.43 C ATOM 921 C GLY A 71 55.850 35.325-141.408 1.00 0.34 C ATOM 922 O GLY A 71 55.922 35.171-140.207 1.00 0.31 O ATOM 0 H GLY A 71 55.202 36.711-144.098 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.534 37.396-141.924 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.079 36.557-141.424 1.00 0.43 H new ATOM 926 N GLU A 72 56.504 34.539-142.224 1.00 0.36 N ATOM 927 CA GLU A 72 57.340 33.452-141.645 1.00 0.34 C ATOM 928 C GLU A 72 58.421 34.101-140.783 1.00 0.30 C ATOM 929 O GLU A 72 58.601 33.763-139.635 1.00 0.30 O ATOM 930 CB GLU A 72 57.991 32.645-142.770 1.00 0.40 C ATOM 931 CG GLU A 72 58.745 31.455-142.176 1.00 1.23 C ATOM 932 CD GLU A 72 59.455 30.690-143.294 1.00 1.97 C ATOM 933 OE1 GLU A 72 59.312 31.087-144.439 1.00 2.68 O ATOM 934 OE2 GLU A 72 60.130 29.721-142.987 1.00 2.64 O ATOM 0 H GLU A 72 56.496 34.601-143.242 1.00 0.36 H new ATOM 0 HA GLU A 72 56.727 32.779-141.045 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.230 32.295-143.468 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.676 33.277-143.336 1.00 0.40 H new ATOM 0 HG2 GLU A 72 59.471 31.802-141.440 1.00 1.23 H new ATOM 0 HG3 GLU A 72 58.052 30.796-141.654 1.00 1.23 H new ATOM 941 N LYS A 73 59.139 35.038-141.332 1.00 0.31 N ATOM 942 CA LYS A 73 60.204 35.715-140.541 1.00 0.33 C ATOM 943 C LYS A 73 59.622 36.071-139.182 1.00 0.29 C ATOM 944 O LYS A 73 60.249 35.929-138.143 1.00 0.29 O ATOM 945 CB LYS A 73 60.619 37.007-141.243 1.00 0.38 C ATOM 946 CG LYS A 73 61.278 36.712-142.588 1.00 0.55 C ATOM 947 CD LYS A 73 60.412 35.777-143.436 1.00 1.07 C ATOM 948 CE LYS A 73 61.000 35.683-144.845 1.00 1.38 C ATOM 949 NZ LYS A 73 60.624 34.376-145.454 1.00 2.36 N ATOM 0 H LYS A 73 59.036 35.365-142.293 1.00 0.31 H new ATOM 0 HA LYS A 73 61.069 35.060-140.440 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.745 37.640-141.394 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.310 37.563-140.610 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.445 37.645-143.126 1.00 0.55 H new ATOM 0 HG3 LYS A 73 62.256 36.258-142.425 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.370 34.788-142.980 1.00 1.07 H new ATOM 0 HD3 LYS A 73 59.389 36.151-143.481 1.00 1.07 H new ATOM 0 HE2 LYS A 73 60.630 36.503-145.460 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.085 35.779-144.805 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 61.024 34.312-146.412 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 60.998 33.601-144.870 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 59.588 34.302-145.505 1.00 2.36 H new ATOM 963 N GLU A 74 58.387 36.457-139.192 1.00 0.28 N ATOM 964 CA GLU A 74 57.692 36.762-137.913 1.00 0.28 C ATOM 965 C GLU A 74 57.468 35.422-137.219 1.00 0.26 C ATOM 966 O GLU A 74 57.509 35.302-136.021 1.00 0.27 O ATOM 967 CB GLU A 74 56.349 37.435-138.198 1.00 0.31 C ATOM 968 CG GLU A 74 55.932 38.265-136.985 1.00 0.37 C ATOM 969 CD GLU A 74 54.406 38.287-136.877 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.763 37.677-137.716 1.00 1.14 O ATOM 971 OE2 GLU A 74 53.906 38.913-135.957 1.00 1.11 O ATOM 0 H GLU A 74 57.822 36.577-140.032 1.00 0.28 H new ATOM 0 HA GLU A 74 58.279 37.438-137.291 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.428 38.072-139.079 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.591 36.682-138.416 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.365 37.844-136.078 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.315 39.281-137.078 1.00 0.37 H new ATOM 978 N ALA A 75 57.242 34.421-138.012 1.00 0.25 N ATOM 979 CA ALA A 75 57.032 33.064-137.446 1.00 0.27 C ATOM 980 C ALA A 75 58.324 32.668-136.748 1.00 0.26 C ATOM 981 O ALA A 75 58.365 32.532-135.544 1.00 0.27 O ATOM 982 CB ALA A 75 56.700 32.064-138.555 1.00 0.30 C ATOM 0 H ALA A 75 57.193 34.481-139.029 1.00 0.25 H new ATOM 0 HA ALA A 75 56.196 33.064-136.747 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.550 31.076-138.121 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.790 32.377-139.067 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.523 32.025-139.268 1.00 0.30 H new ATOM 988 N ARG A 76 59.381 32.468-137.479 1.00 0.28 N ATOM 989 CA ARG A 76 60.652 32.067-136.822 1.00 0.31 C ATOM 990 C ARG A 76 60.899 32.948-135.603 1.00 0.28 C ATOM 991 O ARG A 76 61.388 32.490-134.588 1.00 0.30 O ATOM 992 CB ARG A 76 61.813 32.208-137.808 1.00 0.35 C ATOM 993 CG ARG A 76 61.560 31.316-139.025 1.00 0.66 C ATOM 994 CD ARG A 76 62.874 31.094-139.777 1.00 1.00 C ATOM 995 NE ARG A 76 62.620 30.261-140.986 1.00 1.51 N ATOM 996 CZ ARG A 76 63.518 30.189-141.930 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.639 30.846-141.815 1.00 2.34 N ATOM 998 NH2 ARG A 76 63.295 29.461-142.989 1.00 3.14 N ATOM 0 H ARG A 76 59.421 32.564-138.494 1.00 0.28 H new ATOM 0 HA ARG A 76 60.579 31.027-136.504 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.915 33.247-138.120 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.749 31.927-137.326 1.00 0.35 H new ATOM 0 HG2 ARG A 76 61.144 30.360-138.708 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.826 31.780-139.683 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.306 32.052-140.067 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.598 30.601-139.128 1.00 1.00 H new ATOM 0 HE ARG A 76 61.744 29.747-141.076 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.814 31.416-140.987 1.00 2.34 H new ATOM 0 HH12 ARG A 76 65.341 30.790-142.553 1.00 2.34 H new ATOM 0 HH21 ARG A 76 62.418 28.948-143.080 1.00 3.14 H new ATOM 0 HH22 ARG A 76 63.997 29.405-143.727 1.00 3.14 H new ATOM 1012 N LEU A 77 60.546 34.200-135.670 1.00 0.30 N ATOM 1013 CA LEU A 77 60.755 35.069-134.481 1.00 0.31 C ATOM 1014 C LEU A 77 59.780 34.637-133.388 1.00 0.29 C ATOM 1015 O LEU A 77 60.170 34.256-132.304 1.00 0.30 O ATOM 1016 CB LEU A 77 60.506 36.526-134.861 1.00 0.35 C ATOM 1017 CG LEU A 77 61.728 37.059-135.607 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.366 38.358-136.320 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.859 37.323-134.609 1.00 0.38 C ATOM 0 H LEU A 77 60.128 34.654-136.483 1.00 0.30 H new ATOM 0 HA LEU A 77 61.779 34.974-134.120 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.618 36.606-135.488 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.320 37.122-133.968 1.00 0.35 H new ATOM 0 HG LEU A 77 62.054 36.322-136.341 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.239 38.737-136.852 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.561 38.171-137.031 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.039 39.096-135.588 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.732 37.703-135.140 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.532 38.059-133.875 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.120 36.395-134.101 1.00 0.38 H new ATOM 1031 N ILE A 78 58.513 34.680-133.678 1.00 0.29 N ATOM 1032 CA ILE A 78 57.492 34.260-132.681 1.00 0.32 C ATOM 1033 C ILE A 78 57.914 32.932-132.066 1.00 0.30 C ATOM 1034 O ILE A 78 57.876 32.754-130.870 1.00 0.32 O ATOM 1035 CB ILE A 78 56.151 34.089-133.376 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.681 35.453-133.863 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.130 33.515-132.392 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.733 35.266-135.040 1.00 0.37 C ATOM 0 H ILE A 78 58.136 34.992-134.573 1.00 0.29 H new ATOM 0 HA ILE A 78 57.404 35.017-131.901 1.00 0.32 H new ATOM 0 HB ILE A 78 56.252 33.405-134.219 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.178 35.987-133.057 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.536 36.060-134.162 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.170 33.394-132.893 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.476 32.546-132.032 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.015 34.196-131.548 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.394 36.240-135.392 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.252 34.749-135.847 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.873 34.675-134.724 1.00 0.37 H new ATOM 1050 N ARG A 79 58.328 32.001-132.878 1.00 0.29 N ATOM 1051 CA ARG A 79 58.769 30.687-132.323 1.00 0.32 C ATOM 1052 C ARG A 79 60.011 30.913-131.456 1.00 0.26 C ATOM 1053 O ARG A 79 60.186 30.281-130.435 1.00 0.26 O ATOM 1054 CB ARG A 79 59.106 29.730-133.470 1.00 0.38 C ATOM 1055 CG ARG A 79 59.971 28.585-132.942 1.00 0.39 C ATOM 1056 CD ARG A 79 59.891 27.399-133.905 1.00 0.39 C ATOM 1057 NE ARG A 79 60.606 27.736-135.169 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.925 26.791-136.010 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.615 25.550-135.745 1.00 2.28 N ATOM 1060 NH2 ARG A 79 61.551 27.085-137.116 1.00 3.27 N ATOM 0 H ARG A 79 58.381 32.089-133.893 1.00 0.29 H new ATOM 0 HA ARG A 79 57.971 30.250-131.722 1.00 0.32 H new ATOM 0 HB2 ARG A 79 58.190 29.335-133.909 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.634 30.264-134.260 1.00 0.38 H new ATOM 0 HG2 ARG A 79 61.005 28.914-132.839 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.631 28.286-131.951 1.00 0.39 H new ATOM 0 HD2 ARG A 79 60.336 26.515-133.448 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.849 27.159-134.117 1.00 0.39 H new ATOM 0 HE ARG A 79 60.846 28.705-135.376 1.00 1.50 H new ATOM 0 HH11 ARG A 79 60.124 25.320-134.881 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.864 24.811-136.402 1.00 2.28 H new ATOM 0 HH21 ARG A 79 61.791 28.054-137.324 1.00 3.27 H new ATOM 0 HH22 ARG A 79 61.800 26.346-137.773 1.00 3.27 H new ATOM 1074 N ASN A 80 60.870 31.819-131.846 1.00 0.23 N ATOM 1075 CA ASN A 80 62.088 32.088-131.027 1.00 0.21 C ATOM 1076 C ASN A 80 61.678 32.815-129.751 1.00 0.21 C ATOM 1077 O ASN A 80 62.323 32.705-128.728 1.00 0.22 O ATOM 1078 CB ASN A 80 63.070 32.950-131.823 1.00 0.23 C ATOM 1079 CG ASN A 80 63.813 32.076-132.835 1.00 0.30 C ATOM 1080 OD1 ASN A 80 64.114 30.845-132.519 1.00 1.06 O flip ATOM 1081 ND2 ASN A 80 64.125 32.517-133.923 1.00 1.15 N flip ATOM 0 H ASN A 80 60.781 32.382-132.692 1.00 0.23 H new ATOM 0 HA ASN A 80 62.574 31.146-130.773 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.535 33.747-132.339 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.780 33.428-131.148 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.890 33.478-134.170 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.622 31.926-134.589 1.00 1.15 H new ATOM 1088 N LEU A 81 60.569 33.501-129.780 1.00 0.23 N ATOM 1089 CA LEU A 81 60.090 34.166-128.544 1.00 0.28 C ATOM 1090 C LEU A 81 59.468 33.062-127.710 1.00 0.30 C ATOM 1091 O LEU A 81 59.799 32.850-126.562 1.00 0.31 O ATOM 1092 CB LEU A 81 59.037 35.223-128.884 1.00 0.35 C ATOM 1093 CG LEU A 81 59.726 36.480-129.415 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.716 37.329-130.189 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.278 37.292-128.241 1.00 1.26 C ATOM 0 H LEU A 81 59.979 33.627-130.603 1.00 0.23 H new ATOM 0 HA LEU A 81 60.898 34.672-128.016 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.344 34.834-129.629 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.450 35.464-127.998 1.00 0.35 H new ATOM 0 HG LEU A 81 60.543 36.193-130.077 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.208 38.225-130.567 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.320 36.752-131.025 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.899 37.616-129.527 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.770 38.189-128.618 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.460 37.578-127.580 1.00 1.26 H new ATOM 0 HD23 LEU A 81 60.998 36.689-127.688 1.00 1.26 H new ATOM 1107 N ASN A 82 58.593 32.326-128.325 1.00 0.35 N ATOM 1108 CA ASN A 82 57.950 31.184-127.646 1.00 0.42 C ATOM 1109 C ASN A 82 59.038 30.359-126.974 1.00 0.37 C ATOM 1110 O ASN A 82 59.060 30.209-125.769 1.00 0.38 O ATOM 1111 CB ASN A 82 57.219 30.351-128.705 1.00 0.51 C ATOM 1112 CG ASN A 82 55.802 30.895-128.896 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.844 30.149-128.865 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.628 32.173-129.093 1.00 0.98 N ATOM 0 H ASN A 82 58.293 32.474-129.289 1.00 0.35 H new ATOM 0 HA ASN A 82 57.235 31.515-126.893 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.763 30.385-129.649 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.180 29.306-128.397 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.687 32.546-129.221 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.433 32.799-129.119 1.00 0.98 H new ATOM 1121 N VAL A 83 59.957 29.838-127.735 1.00 0.35 N ATOM 1122 CA VAL A 83 61.054 29.045-127.124 1.00 0.36 C ATOM 1123 C VAL A 83 61.670 29.869-125.997 1.00 0.32 C ATOM 1124 O VAL A 83 61.792 29.415-124.882 1.00 0.35 O ATOM 1125 CB VAL A 83 62.119 28.746-128.182 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.081 27.683-127.651 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.444 28.230-129.455 1.00 0.44 C ATOM 0 H VAL A 83 59.995 29.927-128.750 1.00 0.35 H new ATOM 0 HA VAL A 83 60.667 28.103-126.734 1.00 0.36 H new ATOM 0 HB VAL A 83 62.672 29.658-128.407 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.839 27.470-128.404 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.563 28.049-126.744 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.528 26.771-127.425 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.202 28.017-130.208 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.891 27.318-129.230 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.757 28.987-129.835 1.00 0.44 H new ATOM 1137 N ILE A 84 62.064 31.080-126.283 1.00 0.27 N ATOM 1138 CA ILE A 84 62.670 31.915-125.215 1.00 0.30 C ATOM 1139 C ILE A 84 61.833 31.770-123.946 1.00 0.31 C ATOM 1140 O ILE A 84 62.336 31.438-122.889 1.00 0.37 O ATOM 1141 CB ILE A 84 62.692 33.378-125.634 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.902 33.621-126.532 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.800 34.257-124.385 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.621 34.815-127.434 1.00 0.37 C ATOM 0 H ILE A 84 61.993 31.521-127.200 1.00 0.27 H new ATOM 0 HA ILE A 84 63.693 31.585-125.037 1.00 0.30 H new ATOM 0 HB ILE A 84 61.778 33.623-126.175 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.789 33.808-125.926 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.108 32.736-127.133 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.816 35.306-124.679 1.00 0.44 H new ATOM 0 HG22 ILE A 84 61.943 34.075-123.737 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.718 34.016-123.849 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.481 34.995-128.079 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.744 34.609-128.048 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.436 35.698-126.822 1.00 0.37 H new ATOM 1156 N LEU A 85 60.554 32.013-124.042 1.00 0.35 N ATOM 1157 CA LEU A 85 59.685 31.887-122.836 1.00 0.42 C ATOM 1158 C LEU A 85 59.726 30.447-122.331 1.00 0.42 C ATOM 1159 O LEU A 85 60.102 30.185-121.210 1.00 0.47 O ATOM 1160 CB LEU A 85 58.247 32.263-123.197 1.00 0.54 C ATOM 1161 CG LEU A 85 58.055 33.771-123.040 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.270 34.159-121.576 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.066 34.512-123.915 1.00 0.61 C ATOM 0 H LEU A 85 60.075 32.292-124.898 1.00 0.35 H new ATOM 0 HA LEU A 85 60.047 32.557-122.056 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.029 31.964-124.222 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.548 31.729-122.553 1.00 0.54 H new ATOM 0 HG LEU A 85 57.045 34.042-123.347 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.134 35.234-121.461 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.549 33.633-120.950 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.281 33.887-121.272 1.00 0.69 H new ATOM 0 HD21 LEU A 85 58.927 35.587-123.801 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.077 34.243-123.610 1.00 0.61 H new ATOM 0 HD23 LEU A 85 58.916 34.235-124.959 1.00 0.61 H new ATOM 1175 N ALA A 86 59.353 29.512-123.154 1.00 0.47 N ATOM 1176 CA ALA A 86 59.381 28.086-122.728 1.00 0.58 C ATOM 1177 C ALA A 86 60.760 27.765-122.147 1.00 0.59 C ATOM 1178 O ALA A 86 60.951 26.769-121.477 1.00 0.73 O ATOM 1179 CB ALA A 86 59.123 27.197-123.945 1.00 0.64 C ATOM 0 H ALA A 86 59.028 29.673-124.107 1.00 0.47 H new ATOM 0 HA ALA A 86 58.615 27.907-121.974 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.142 26.150-123.642 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.147 27.434-124.369 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.896 27.372-124.694 1.00 0.64 H new ATOM 1185 N LYS A 87 61.725 28.595-122.425 1.00 0.50 N ATOM 1186 CA LYS A 87 63.106 28.350-121.927 1.00 0.60 C ATOM 1187 C LYS A 87 63.261 28.885-120.509 1.00 0.58 C ATOM 1188 O LYS A 87 63.746 28.204-119.628 1.00 0.71 O ATOM 1189 CB LYS A 87 64.090 29.073-122.838 1.00 0.61 C ATOM 1190 CG LYS A 87 65.458 28.392-122.764 1.00 0.82 C ATOM 1191 CD LYS A 87 66.489 29.232-123.520 1.00 0.99 C ATOM 1192 CE LYS A 87 67.860 28.557-123.437 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.219 28.338-122.007 1.00 2.02 N ATOM 0 H LYS A 87 61.614 29.442-122.982 1.00 0.50 H new ATOM 0 HA LYS A 87 63.301 27.278-121.925 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.724 29.064-123.865 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.177 30.118-122.539 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.762 28.275-121.724 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.402 27.392-123.195 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.189 29.343-124.562 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.539 30.234-123.094 1.00 0.99 H new ATOM 0 HE2 LYS A 87 67.842 27.606-123.969 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.613 29.178-123.921 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.247 28.205-121.924 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.930 29.165-121.446 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 67.730 27.491-121.652 1.00 2.02 H new ATOM 1207 N TYR A 88 62.854 30.098-120.276 1.00 0.45 N ATOM 1208 CA TYR A 88 62.985 30.663-118.907 1.00 0.47 C ATOM 1209 C TYR A 88 61.834 30.154-118.051 1.00 0.54 C ATOM 1210 O TYR A 88 61.874 30.193-116.837 1.00 0.58 O ATOM 1211 CB TYR A 88 62.945 32.190-118.978 1.00 0.44 C ATOM 1212 CG TYR A 88 64.243 32.692-119.562 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.342 32.924-118.728 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.349 32.917-120.940 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.547 33.383-119.271 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.555 33.374-121.483 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.655 33.608-120.649 1.00 0.61 C ATOM 1218 OH TYR A 88 67.843 34.056-121.184 1.00 0.73 O ATOM 0 H TYR A 88 62.439 30.720-120.969 1.00 0.45 H new ATOM 0 HA TYR A 88 63.933 30.354-118.466 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.106 32.516-119.592 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.794 32.609-117.983 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.260 32.749-117.665 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.500 32.738-121.583 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.395 33.564-118.627 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.637 33.546-122.546 1.00 0.62 H new ATOM 0 HH TYR A 88 67.878 33.830-122.137 1.00 0.73 H new ATOM 1228 N GLY A 89 60.798 29.700-118.686 1.00 0.59 N ATOM 1229 CA GLY A 89 59.622 29.214-117.916 1.00 0.69 C ATOM 1230 C GLY A 89 58.770 30.427-117.549 1.00 0.77 C ATOM 1231 O GLY A 89 58.299 30.565-116.438 1.00 1.09 O ATOM 0 H GLY A 89 60.711 29.643-119.701 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.043 28.506-118.509 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.945 28.688-117.018 1.00 0.69 H new ATOM 1235 N LEU A 90 58.566 31.300-118.495 1.00 0.65 N ATOM 1236 CA LEU A 90 57.739 32.509-118.241 1.00 0.75 C ATOM 1237 C LEU A 90 56.520 32.483-119.166 1.00 0.80 C ATOM 1238 O LEU A 90 56.013 33.511-119.569 1.00 1.31 O ATOM 1239 CB LEU A 90 58.568 33.759-118.531 1.00 0.82 C ATOM 1240 CG LEU A 90 58.907 34.460-117.220 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.959 35.539-117.480 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.640 35.103-116.654 1.00 1.68 C ATOM 0 H LEU A 90 58.941 31.226-119.441 1.00 0.65 H new ATOM 0 HA LEU A 90 57.413 32.522-117.201 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.483 33.487-119.058 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.013 34.433-119.183 1.00 0.82 H new ATOM 0 HG LEU A 90 59.300 33.738-116.505 1.00 1.03 H new ATOM 0 HD11 LEU A 90 60.203 36.042-116.544 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.858 35.079-117.890 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.566 36.266-118.191 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.875 35.606-115.716 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.250 35.829-117.368 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.890 34.333-116.474 1.00 1.68 H new ATOM 1254 N ASP A 91 56.056 31.315-119.516 1.00 0.77 N ATOM 1255 CA ASP A 91 54.881 31.224-120.427 1.00 0.87 C ATOM 1256 C ASP A 91 53.588 31.147-119.612 1.00 1.30 C ATOM 1257 O ASP A 91 52.504 31.271-120.146 1.00 1.70 O ATOM 1258 CB ASP A 91 55.000 29.962-121.285 1.00 1.04 C ATOM 1259 CG ASP A 91 56.414 29.854-121.854 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.351 30.039-121.095 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.537 29.589-123.038 1.00 0.84 O ATOM 0 H ASP A 91 56.440 30.421-119.211 1.00 0.77 H new ATOM 0 HA ASP A 91 54.857 32.110-121.062 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.771 29.081-120.686 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.273 29.993-122.097 1.00 1.04 H new ATOM 1266 N GLY A 92 53.682 30.933-118.326 1.00 1.77 N ATOM 1267 CA GLY A 92 52.447 30.837-117.497 1.00 2.22 C ATOM 1268 C GLY A 92 52.398 29.453-116.847 1.00 2.72 C ATOM 1269 O GLY A 92 51.350 28.955-116.488 1.00 3.30 O ATOM 0 H GLY A 92 54.558 30.821-117.816 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.444 31.614-116.732 1.00 2.22 H new ATOM 0 HA3 GLY A 92 51.564 30.995-118.116 1.00 2.22 H new ATOM 1273 N LYS A 93 53.535 28.826-116.706 1.00 3.13 N ATOM 1274 CA LYS A 93 53.570 27.468-116.094 1.00 3.96 C ATOM 1275 C LYS A 93 54.538 27.447-114.908 1.00 4.22 C ATOM 1276 O LYS A 93 55.124 26.428-114.598 1.00 4.63 O ATOM 1277 CB LYS A 93 54.030 26.452-117.142 1.00 4.60 C ATOM 1278 CG LYS A 93 55.369 26.899-117.732 1.00 4.79 C ATOM 1279 CD LYS A 93 55.663 26.094-119.001 1.00 5.91 C ATOM 1280 CE LYS A 93 57.138 26.254-119.375 1.00 6.60 C ATOM 1281 NZ LYS A 93 57.991 25.741-118.267 1.00 6.86 N ATOM 0 H LYS A 93 54.442 29.197-116.989 1.00 3.13 H new ATOM 0 HA LYS A 93 52.571 27.211-115.741 1.00 3.96 H new ATOM 0 HB2 LYS A 93 54.131 25.466-116.688 1.00 4.60 H new ATOM 0 HB3 LYS A 93 53.284 26.364-117.931 1.00 4.60 H new ATOM 0 HG2 LYS A 93 55.339 27.964-117.963 1.00 4.79 H new ATOM 0 HG3 LYS A 93 56.166 26.753-117.003 1.00 4.79 H new ATOM 0 HD2 LYS A 93 55.430 25.042-118.839 1.00 5.91 H new ATOM 0 HD3 LYS A 93 55.030 26.439-119.818 1.00 5.91 H new ATOM 0 HE2 LYS A 93 57.352 25.709-120.295 1.00 6.60 H new ATOM 0 HE3 LYS A 93 57.364 27.303-119.566 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 58.915 25.452-118.646 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 58.126 26.490-117.558 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 57.528 24.923-117.822 1.00 6.86 H new ATOM 1295 N LYS A 94 54.714 28.553-114.239 1.00 4.52 N ATOM 1296 CA LYS A 94 55.645 28.572-113.075 1.00 5.25 C ATOM 1297 C LYS A 94 55.881 30.017-112.630 1.00 5.64 C ATOM 1298 O LYS A 94 56.893 30.614-112.941 1.00 6.30 O ATOM 1299 CB LYS A 94 56.978 27.937-113.478 1.00 6.00 C ATOM 1300 CG LYS A 94 57.176 26.630-112.707 1.00 6.18 C ATOM 1301 CD LYS A 94 58.184 25.748-113.446 1.00 7.02 C ATOM 1302 CE LYS A 94 58.125 24.326-112.887 1.00 7.55 C ATOM 1303 NZ LYS A 94 57.727 24.374-111.450 1.00 7.75 N ATOM 0 H LYS A 94 54.256 29.441-114.446 1.00 4.52 H new ATOM 0 HA LYS A 94 55.207 28.007-112.252 1.00 5.25 H new ATOM 0 HB2 LYS A 94 56.991 27.744-114.551 1.00 6.00 H new ATOM 0 HB3 LYS A 94 57.798 28.623-113.267 1.00 6.00 H new ATOM 0 HG2 LYS A 94 57.532 26.841-111.699 1.00 6.18 H new ATOM 0 HG3 LYS A 94 56.225 26.107-112.606 1.00 6.18 H new ATOM 0 HD2 LYS A 94 57.962 25.740-114.513 1.00 7.02 H new ATOM 0 HD3 LYS A 94 59.190 26.153-113.332 1.00 7.02 H new ATOM 0 HE2 LYS A 94 57.410 23.730-113.454 1.00 7.55 H new ATOM 0 HE3 LYS A 94 59.096 23.842-112.991 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 57.960 23.468-110.995 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 58.240 25.143-110.973 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 56.703 24.544-111.379 1.00 7.75 H new ATOM 1317 N ASP A 95 54.955 30.583-111.906 1.00 5.55 N ATOM 1318 CA ASP A 95 55.113 31.988-111.435 1.00 6.18 C ATOM 1319 C ASP A 95 53.828 32.386-110.708 1.00 6.72 C ATOM 1320 O ASP A 95 53.811 33.269-109.872 1.00 7.02 O ATOM 1321 CB ASP A 95 55.337 32.913-112.634 1.00 6.12 C ATOM 1322 CG ASP A 95 56.838 33.085-112.874 1.00 6.05 C ATOM 1323 OD1 ASP A 95 57.530 33.447-111.937 1.00 6.23 O ATOM 1324 OD2 ASP A 95 57.269 32.850-113.991 1.00 6.22 O ATOM 0 H ASP A 95 54.088 30.128-111.618 1.00 5.55 H new ATOM 0 HA ASP A 95 55.970 32.072-110.767 1.00 6.18 H new ATOM 0 HB2 ASP A 95 54.862 32.496-113.522 1.00 6.12 H new ATOM 0 HB3 ASP A 95 54.874 33.883-112.450 1.00 6.12 H new ATOM 1329 N ALA A 96 52.752 31.720-111.027 1.00 7.12 N ATOM 1330 CA ALA A 96 51.450 32.023-110.369 1.00 7.86 C ATOM 1331 C ALA A 96 51.586 31.790-108.863 1.00 8.30 C ATOM 1332 O ALA A 96 52.678 31.712-108.336 1.00 8.93 O ATOM 1333 CB ALA A 96 50.365 31.104-110.933 1.00 8.22 C ATOM 0 H ALA A 96 52.719 30.973-111.721 1.00 7.12 H new ATOM 0 HA ALA A 96 51.175 33.061-110.558 1.00 7.86 H new ATOM 0 HB1 ALA A 96 49.413 31.326-110.451 1.00 8.22 H new ATOM 0 HB2 ALA A 96 50.274 31.265-112.007 1.00 8.22 H new ATOM 0 HB3 ALA A 96 50.634 30.065-110.743 1.00 8.22 H new ATOM 1339 N ARG A 97 50.490 31.675-108.163 1.00 8.23 N ATOM 1340 CA ARG A 97 50.570 31.446-106.692 1.00 8.95 C ATOM 1341 C ARG A 97 51.352 32.585-106.036 1.00 9.53 C ATOM 1342 O ARG A 97 51.664 33.578-106.664 1.00 9.76 O ATOM 1343 CB ARG A 97 51.281 30.118-106.421 1.00 8.85 C ATOM 1344 CG ARG A 97 50.573 28.994-107.181 1.00 8.58 C ATOM 1345 CD ARG A 97 49.802 28.117-106.192 1.00 8.65 C ATOM 1346 NE ARG A 97 50.765 27.345-105.357 1.00 9.34 N ATOM 1347 CZ ARG A 97 50.358 26.763-104.262 1.00 9.46 C ATOM 1348 NH1 ARG A 97 49.108 26.855-103.900 1.00 9.01 N ATOM 1349 NH2 ARG A 97 51.201 26.087-103.530 1.00 10.30 N ATOM 0 H ARG A 97 49.546 31.729-108.545 1.00 8.23 H new ATOM 0 HA ARG A 97 49.563 31.413-106.276 1.00 8.95 H new ATOM 0 HB2 ARG A 97 52.323 30.181-106.733 1.00 8.85 H new ATOM 0 HB3 ARG A 97 51.281 29.905-105.352 1.00 8.85 H new ATOM 0 HG2 ARG A 97 49.891 29.414-107.920 1.00 8.58 H new ATOM 0 HG3 ARG A 97 51.302 28.393-107.725 1.00 8.58 H new ATOM 0 HD2 ARG A 97 49.169 28.737-105.557 1.00 8.65 H new ATOM 0 HD3 ARG A 97 49.143 27.436-106.731 1.00 8.65 H new ATOM 0 HE ARG A 97 51.742 27.271-105.641 1.00 9.34 H new ATOM 0 HH11 ARG A 97 48.449 27.382-104.473 1.00 9.01 H new ATOM 0 HH12 ARG A 97 48.790 26.400-103.044 1.00 9.01 H new ATOM 0 HH21 ARG A 97 52.178 26.014-103.814 1.00 10.30 H new ATOM 0 HH22 ARG A 97 50.883 25.632-102.674 1.00 10.30 H new ATOM 1363 N GLN A 98 51.670 32.451-104.778 1.00 9.97 N ATOM 1364 CA GLN A 98 52.431 33.527-104.082 1.00 10.76 C ATOM 1365 C GLN A 98 53.522 32.898-103.212 1.00 10.99 C ATOM 1366 O GLN A 98 54.607 33.453-103.165 1.00 11.00 O ATOM 1367 CB GLN A 98 51.479 34.337-103.200 1.00 11.07 C ATOM 1368 CG GLN A 98 52.284 35.121-102.163 1.00 11.38 C ATOM 1369 CD GLN A 98 53.374 35.931-102.869 1.00 11.58 C ATOM 1370 OE1 GLN A 98 53.183 36.392-103.977 1.00 11.67 O ATOM 1371 NE2 GLN A 98 54.517 36.126-102.271 1.00 11.85 N ATOM 0 H GLN A 98 51.436 31.643-104.202 1.00 9.97 H new ATOM 0 HA GLN A 98 52.889 34.185-104.821 1.00 10.76 H new ATOM 0 HB2 GLN A 98 50.892 35.021-103.813 1.00 11.07 H new ATOM 0 HB3 GLN A 98 50.774 33.672-102.701 1.00 11.07 H new ATOM 0 HG2 GLN A 98 51.626 35.786-101.604 1.00 11.38 H new ATOM 0 HG3 GLN A 98 52.733 34.437-101.443 1.00 11.38 H new ATOM 0 HE21 GLN A 98 54.678 35.740-101.341 1.00 11.85 H new ATOM 0 HE22 GLN A 98 55.249 36.665-102.734 1.00 11.85 H new TER 1380 GLN A 98