USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=7 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 171:sc= -0.0714 (180deg=-0.305) USER MOD Single : A 24 LYS NZ :NH3+ -122:sc= -2.04! (180deg=-6.16!) USER MOD Single : A 26 ASN : amide:sc= -4.99! C(o=-5!,f=-16!) USER MOD Single : A 27 GLN : amide:sc= -0.0883 X(o=-0.088,f=-0.062) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= -2.48! (180deg=-3.5!) USER MOD Single : A 33 GLN : amide:sc= -6.94! C(o=-6.9!,f=-7.8!) USER MOD Single : A 36 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.15) USER MOD Single : A 46 HIS : no HD1:sc= -4.38 K(o=-4.4,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -12.9! C(o=-13!,f=-21!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc=-0.00773 (180deg=-0.00773) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= -3.09! (180deg=-3.14!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -141:sc= -0.964 (180deg=-2.89!) USER MOD Single : A 80 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.5!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 156:sc= -7.72! USER MOD Single : A 93 LYS NZ :NH3+ -106:sc= -3.48! (180deg=-5.19!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -1.71 K(o=-1.7,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 64.239 56.116-123.327 1.00 3.57 N ATOM 2 CA GLY A 17 64.011 55.598-121.908 1.00 2.94 C ATOM 3 C GLY A 17 63.558 54.191-121.706 1.00 2.17 C ATOM 4 O GLY A 17 63.225 53.788-120.610 1.00 2.41 O ATOM 0 HA2 GLY A 17 64.945 55.723-121.360 1.00 2.94 H new ATOM 0 HA3 GLY A 17 63.275 56.249-121.436 1.00 2.94 H new ATOM 8 N GLU A 18 63.533 53.411-122.752 1.00 1.64 N ATOM 9 CA GLU A 18 63.090 51.995-122.618 1.00 0.99 C ATOM 10 C GLU A 18 64.239 51.066-123.005 1.00 0.98 C ATOM 11 O GLU A 18 65.394 51.440-122.973 1.00 1.60 O ATOM 12 CB GLU A 18 61.898 51.744-123.544 1.00 1.22 C ATOM 13 CG GLU A 18 60.748 52.678-123.161 1.00 1.64 C ATOM 14 CD GLU A 18 61.024 54.080-123.707 1.00 2.48 C ATOM 15 OE1 GLU A 18 61.901 54.205-124.545 1.00 3.09 O ATOM 16 OE2 GLU A 18 60.355 55.004-123.276 1.00 3.13 O ATOM 0 H GLU A 18 63.801 53.694-123.695 1.00 1.64 H new ATOM 0 HA GLU A 18 62.796 51.801-121.587 1.00 0.99 H new ATOM 0 HB2 GLU A 18 62.188 51.913-124.581 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.577 50.705-123.468 1.00 1.22 H new ATOM 0 HG2 GLU A 18 59.808 52.299-123.563 1.00 1.64 H new ATOM 0 HG3 GLU A 18 60.640 52.713-122.077 1.00 1.64 H new ATOM 23 N GLU A 19 63.926 49.859-123.379 1.00 0.57 N ATOM 24 CA GLU A 19 64.991 48.901-123.780 1.00 0.55 C ATOM 25 C GLU A 19 64.906 48.678-125.289 1.00 0.56 C ATOM 26 O GLU A 19 65.869 48.841-126.010 1.00 0.63 O ATOM 27 CB GLU A 19 64.797 47.574-123.034 1.00 0.45 C ATOM 28 CG GLU A 19 63.318 47.180-123.044 1.00 0.38 C ATOM 29 CD GLU A 19 62.506 48.210-122.254 1.00 1.26 C ATOM 30 OE1 GLU A 19 63.099 48.919-121.459 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.304 48.270-122.458 1.00 2.06 O ATOM 0 H GLU A 19 62.975 49.493-123.424 1.00 0.57 H new ATOM 0 HA GLU A 19 65.972 49.302-123.526 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.393 46.792-123.504 1.00 0.45 H new ATOM 0 HB3 GLU A 19 65.150 47.670-122.007 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.953 47.124-124.070 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.192 46.190-122.606 1.00 0.38 H new ATOM 38 N PHE A 20 63.752 48.315-125.769 1.00 0.51 N ATOM 39 CA PHE A 20 63.580 48.089-127.231 1.00 0.54 C ATOM 40 C PHE A 20 62.537 49.075-127.734 1.00 0.55 C ATOM 41 O PHE A 20 62.139 49.970-127.015 1.00 0.57 O ATOM 42 CB PHE A 20 63.090 46.662-127.469 1.00 0.52 C ATOM 43 CG PHE A 20 63.919 45.720-126.637 1.00 0.52 C ATOM 44 CD1 PHE A 20 65.224 45.398-127.021 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.379 45.185-125.466 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.991 44.533-126.228 1.00 0.82 C ATOM 47 CE2 PHE A 20 64.143 44.325-124.671 1.00 0.51 C ATOM 48 CZ PHE A 20 65.449 43.998-125.050 1.00 0.56 C ATOM 0 H PHE A 20 62.914 48.164-125.208 1.00 0.51 H new ATOM 0 HA PHE A 20 64.525 48.231-127.756 1.00 0.54 H new ATOM 0 HB2 PHE A 20 62.037 46.575-127.202 1.00 0.52 H new ATOM 0 HB3 PHE A 20 63.173 46.406-128.525 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.640 45.815-127.926 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.370 45.436-125.174 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.998 44.279-126.524 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.725 43.913-123.764 1.00 0.51 H new ATOM 0 HZ PHE A 20 66.040 43.334-124.436 1.00 0.56 H new ATOM 58 N ARG A 21 62.067 48.941-128.941 1.00 0.57 N ATOM 59 CA ARG A 21 61.040 49.892-129.437 1.00 0.60 C ATOM 60 C ARG A 21 59.850 49.076-129.922 1.00 0.57 C ATOM 61 O ARG A 21 58.940 49.577-130.553 1.00 0.59 O ATOM 62 CB ARG A 21 61.612 50.678-130.609 1.00 0.69 C ATOM 63 CG ARG A 21 62.859 51.442-130.159 1.00 0.74 C ATOM 64 CD ARG A 21 63.351 52.332-131.300 1.00 0.82 C ATOM 65 NE ARG A 21 62.514 52.095-132.510 1.00 1.35 N ATOM 66 CZ ARG A 21 62.549 52.941-133.504 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.316 53.994-133.437 1.00 2.06 N ATOM 68 NH2 ARG A 21 61.816 52.733-134.563 1.00 2.72 N ATOM 0 H ARG A 21 62.349 48.217-129.602 1.00 0.57 H new ATOM 0 HA ARG A 21 60.741 50.582-128.648 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.864 50.001-131.425 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.865 51.374-130.991 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.630 52.049-129.283 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.642 50.742-129.866 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.297 53.380-131.007 1.00 0.82 H new ATOM 0 HD3 ARG A 21 64.396 52.116-131.520 1.00 0.82 H new ATOM 0 HE ARG A 21 61.914 51.272-132.562 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.888 54.156-132.608 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.344 54.655-134.213 1.00 2.06 H new ATOM 0 HH21 ARG A 21 61.216 51.910-134.614 1.00 2.72 H new ATOM 0 HH22 ARG A 21 61.843 53.394-135.340 1.00 2.72 H new ATOM 82 N MET A 22 59.855 47.813-129.608 1.00 0.54 N ATOM 83 CA MET A 22 58.735 46.924-130.014 1.00 0.55 C ATOM 84 C MET A 22 57.876 46.645-128.783 1.00 0.49 C ATOM 85 O MET A 22 58.379 46.460-127.690 1.00 0.63 O ATOM 86 CB MET A 22 59.294 45.610-130.562 1.00 0.61 C ATOM 87 CG MET A 22 59.776 45.821-131.999 1.00 0.71 C ATOM 88 SD MET A 22 58.622 45.029-133.146 1.00 1.14 S ATOM 89 CE MET A 22 57.678 46.511-133.578 1.00 1.25 C ATOM 0 H MET A 22 60.597 47.353-129.081 1.00 0.54 H new ATOM 0 HA MET A 22 58.136 47.401-130.790 1.00 0.55 H new ATOM 0 HB2 MET A 22 60.118 45.264-129.938 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.527 44.836-130.534 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.848 46.887-132.217 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.774 45.402-132.124 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.004 46.285-134.404 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.098 46.837-132.715 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.363 47.305-133.875 1.00 1.25 H new ATOM 99 N GLU A 23 56.585 46.634-128.938 1.00 0.47 N ATOM 100 CA GLU A 23 55.706 46.398-127.764 1.00 0.46 C ATOM 101 C GLU A 23 55.904 44.989-127.208 1.00 0.50 C ATOM 102 O GLU A 23 55.993 44.807-126.012 1.00 0.50 O ATOM 103 CB GLU A 23 54.243 46.588-128.171 1.00 0.50 C ATOM 104 CG GLU A 23 53.943 48.081-128.315 1.00 1.45 C ATOM 105 CD GLU A 23 52.441 48.281-128.531 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.728 47.291-128.544 1.00 2.48 O ATOM 107 OE2 GLU A 23 52.031 49.420-128.680 1.00 2.68 O ATOM 0 H GLU A 23 56.101 46.778-129.824 1.00 0.47 H new ATOM 0 HA GLU A 23 55.969 47.116-126.987 1.00 0.46 H new ATOM 0 HB2 GLU A 23 54.047 46.074-129.112 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.586 46.145-127.423 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.267 48.616-127.422 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.500 48.496-129.155 1.00 1.45 H new ATOM 114 N LYS A 24 55.969 43.981-128.035 1.00 0.54 N ATOM 115 CA LYS A 24 56.154 42.608-127.492 1.00 0.59 C ATOM 116 C LYS A 24 57.373 42.578-126.575 1.00 0.53 C ATOM 117 O LYS A 24 57.294 42.172-125.432 1.00 0.55 O ATOM 118 CB LYS A 24 56.363 41.629-128.647 1.00 0.67 C ATOM 119 CG LYS A 24 57.426 42.185-129.598 1.00 0.64 C ATOM 120 CD LYS A 24 57.404 41.394-130.908 1.00 0.77 C ATOM 121 CE LYS A 24 57.834 42.305-132.059 1.00 1.46 C ATOM 122 NZ LYS A 24 57.582 41.617-133.357 1.00 2.09 N ATOM 0 H LYS A 24 55.903 44.048-129.051 1.00 0.54 H new ATOM 0 HA LYS A 24 55.268 42.321-126.925 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.675 40.658-128.263 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.426 41.475-129.182 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.237 43.240-129.795 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.412 42.119-129.137 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.073 40.536-130.839 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.403 41.003-131.093 1.00 0.77 H new ATOM 0 HE2 LYS A 24 57.282 43.244-132.020 1.00 1.46 H new ATOM 0 HE3 LYS A 24 58.891 42.553-131.966 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 58.473 41.541-133.889 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.204 40.665-133.178 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 56.893 42.164-133.912 1.00 2.09 H new ATOM 136 N LEU A 25 58.502 42.995-127.066 1.00 0.47 N ATOM 137 CA LEU A 25 59.735 42.987-126.234 1.00 0.42 C ATOM 138 C LEU A 25 59.529 43.831-124.979 1.00 0.39 C ATOM 139 O LEU A 25 59.703 43.370-123.874 1.00 0.55 O ATOM 140 CB LEU A 25 60.881 43.592-127.042 1.00 0.43 C ATOM 141 CG LEU A 25 61.465 42.550-127.990 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.453 43.100-129.419 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.905 42.252-127.571 1.00 1.03 C ATOM 0 H LEU A 25 58.626 43.344-128.016 1.00 0.47 H new ATOM 0 HA LEU A 25 59.965 41.961-125.948 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.522 44.450-127.610 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.657 43.957-126.369 1.00 0.43 H new ATOM 0 HG LEU A 25 60.871 41.637-127.950 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.870 42.357-130.098 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.428 43.326-129.713 1.00 0.92 H new ATOM 0 HD13 LEU A 25 62.052 44.009-129.464 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.333 41.508-128.243 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.495 43.167-127.621 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.915 41.869-126.551 1.00 1.03 H new ATOM 155 N ASN A 26 59.167 45.068-125.146 1.00 0.39 N ATOM 156 CA ASN A 26 58.964 45.923-123.944 1.00 0.37 C ATOM 157 C ASN A 26 58.043 45.168-122.987 1.00 0.40 C ATOM 158 O ASN A 26 58.355 44.943-121.835 1.00 0.40 O ATOM 159 CB ASN A 26 58.329 47.251-124.343 1.00 0.41 C ATOM 160 CG ASN A 26 59.045 47.798-125.578 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.833 47.106-126.191 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.808 49.017-125.971 1.00 0.45 N ATOM 0 H ASN A 26 59.004 45.521-126.045 1.00 0.39 H new ATOM 0 HA ASN A 26 59.920 46.137-123.465 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.269 47.112-124.554 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.400 47.963-123.521 1.00 0.41 H new ATOM 0 HD21 ASN A 26 59.284 49.390-126.793 1.00 0.45 H new ATOM 0 HD22 ASN A 26 58.147 49.599-125.457 1.00 0.45 H new ATOM 169 N GLN A 27 56.908 44.781-123.481 1.00 0.44 N ATOM 170 CA GLN A 27 55.932 44.039-122.645 1.00 0.50 C ATOM 171 C GLN A 27 56.647 42.891-121.932 1.00 0.47 C ATOM 172 O GLN A 27 56.607 42.778-120.718 1.00 0.48 O ATOM 173 CB GLN A 27 54.820 43.477-123.533 1.00 0.59 C ATOM 174 CG GLN A 27 53.721 44.529-123.702 1.00 0.58 C ATOM 175 CD GLN A 27 52.811 44.520-122.473 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.751 45.487-121.741 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.096 43.461-122.214 1.00 2.02 N ATOM 0 H GLN A 27 56.610 44.949-124.442 1.00 0.44 H new ATOM 0 HA GLN A 27 55.498 44.713-121.907 1.00 0.50 H new ATOM 0 HB2 GLN A 27 55.223 43.198-124.506 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.407 42.572-123.088 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.165 45.516-123.831 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.139 44.321-124.600 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.146 42.649-122.829 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.486 43.445-121.397 1.00 2.02 H new ATOM 186 N LEU A 28 57.286 42.020-122.668 1.00 0.47 N ATOM 187 CA LEU A 28 57.977 40.862-122.027 1.00 0.47 C ATOM 188 C LEU A 28 59.045 41.341-121.048 1.00 0.39 C ATOM 189 O LEU A 28 59.113 40.880-119.926 1.00 0.50 O ATOM 190 CB LEU A 28 58.635 40.006-123.111 1.00 0.50 C ATOM 191 CG LEU A 28 57.560 39.436-124.037 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.180 39.098-125.394 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.973 38.166-123.415 1.00 1.21 C ATOM 0 H LEU A 28 57.359 42.060-123.685 1.00 0.47 H new ATOM 0 HA LEU A 28 57.239 40.276-121.478 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.342 40.607-123.684 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.203 39.195-122.654 1.00 0.50 H new ATOM 0 HG LEU A 28 56.770 40.174-124.173 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.413 38.692-126.053 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.599 40.001-125.838 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.971 38.360-125.259 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.206 37.759-124.074 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.764 37.428-123.279 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.530 38.406-122.448 1.00 1.21 H new ATOM 205 N TRP A 29 59.880 42.260-121.445 1.00 0.37 N ATOM 206 CA TRP A 29 60.933 42.763-120.527 1.00 0.30 C ATOM 207 C TRP A 29 60.273 43.199-119.224 1.00 0.36 C ATOM 208 O TRP A 29 60.550 42.673-118.158 1.00 0.39 O ATOM 209 CB TRP A 29 61.584 43.959-121.229 1.00 0.32 C ATOM 210 CG TRP A 29 62.751 44.483-120.467 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.965 45.791-120.230 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.869 43.768-119.867 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.137 45.934-119.520 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.732 44.717-119.268 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.218 42.408-119.777 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.895 44.333-118.609 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.389 42.020-119.112 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.226 42.982-118.529 1.00 0.41 C ATOM 0 H TRP A 29 59.876 42.685-122.372 1.00 0.37 H new ATOM 0 HA TRP A 29 61.681 42.004-120.296 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.906 43.663-122.227 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.847 44.752-121.354 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.321 46.599-120.546 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.518 46.831-119.218 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.580 41.659-120.223 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.537 45.077-118.162 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.648 40.974-119.048 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.127 42.676-118.018 1.00 0.41 H new ATOM 229 N GLU A 30 59.410 44.167-119.305 1.00 0.45 N ATOM 230 CA GLU A 30 58.733 44.653-118.079 1.00 0.56 C ATOM 231 C GLU A 30 58.292 43.434-117.270 1.00 0.50 C ATOM 232 O GLU A 30 58.473 43.370-116.070 1.00 0.52 O ATOM 233 CB GLU A 30 57.508 45.484-118.468 1.00 0.68 C ATOM 234 CG GLU A 30 57.927 46.939-118.691 1.00 0.86 C ATOM 235 CD GLU A 30 56.685 47.796-118.941 1.00 1.53 C ATOM 236 OE1 GLU A 30 56.049 47.599-119.964 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.392 48.635-118.106 1.00 2.06 O ATOM 0 H GLU A 30 59.145 44.642-120.168 1.00 0.45 H new ATOM 0 HA GLU A 30 59.408 45.275-117.490 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.056 45.082-119.375 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.753 45.428-117.683 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.468 47.310-117.821 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.606 47.007-119.541 1.00 0.86 H new ATOM 244 N LYS A 31 57.723 42.459-117.925 1.00 0.46 N ATOM 245 CA LYS A 31 57.276 41.236-117.200 1.00 0.45 C ATOM 246 C LYS A 31 58.464 40.599-116.468 1.00 0.43 C ATOM 247 O LYS A 31 58.406 40.338-115.279 1.00 0.46 O ATOM 248 CB LYS A 31 56.701 40.233-118.203 1.00 0.44 C ATOM 249 CG LYS A 31 55.175 40.352-118.240 1.00 0.91 C ATOM 250 CD LYS A 31 54.698 40.348-119.694 1.00 0.99 C ATOM 251 CE LYS A 31 54.915 38.960-120.300 1.00 1.36 C ATOM 252 NZ LYS A 31 54.378 37.924-119.373 1.00 2.08 N ATOM 0 H LYS A 31 57.548 42.456-118.930 1.00 0.46 H new ATOM 0 HA LYS A 31 56.511 41.510-116.473 1.00 0.45 H new ATOM 0 HB2 LYS A 31 57.113 40.420-119.195 1.00 0.44 H new ATOM 0 HB3 LYS A 31 56.989 39.220-117.923 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.722 39.524-117.695 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.859 41.270-117.745 1.00 0.91 H new ATOM 0 HD2 LYS A 31 53.643 40.616-119.742 1.00 0.99 H new ATOM 0 HD3 LYS A 31 55.244 41.096-120.269 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.417 38.892-121.267 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.977 38.790-120.476 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 54.354 37.004-119.857 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 54.990 37.858-118.535 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.415 38.186-119.079 1.00 2.08 H new ATOM 266 N ALA A 32 59.542 40.331-117.159 1.00 0.41 N ATOM 267 CA ALA A 32 60.706 39.699-116.472 1.00 0.41 C ATOM 268 C ALA A 32 61.100 40.546-115.267 1.00 0.41 C ATOM 269 O ALA A 32 61.032 40.097-114.134 1.00 0.42 O ATOM 270 CB ALA A 32 61.898 39.593-117.423 1.00 0.42 C ATOM 0 H ALA A 32 59.666 40.519-118.154 1.00 0.41 H new ATOM 0 HA ALA A 32 60.422 38.697-116.150 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.737 39.130-116.904 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.623 38.984-118.284 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.185 40.589-117.759 1.00 0.42 H new ATOM 276 N GLN A 33 61.504 41.773-115.470 1.00 0.43 N ATOM 277 CA GLN A 33 61.878 42.600-114.298 1.00 0.47 C ATOM 278 C GLN A 33 60.806 42.414-113.234 1.00 0.49 C ATOM 279 O GLN A 33 61.082 42.391-112.051 1.00 0.53 O ATOM 280 CB GLN A 33 61.963 44.071-114.711 1.00 0.51 C ATOM 281 CG GLN A 33 63.081 44.247-115.743 1.00 0.53 C ATOM 282 CD GLN A 33 62.809 45.498-116.581 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.529 45.405-117.759 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.880 46.673-116.018 1.00 1.23 N ATOM 0 H GLN A 33 61.588 42.226-116.380 1.00 0.43 H new ATOM 0 HA GLN A 33 62.850 42.297-113.908 1.00 0.47 H new ATOM 0 HB2 GLN A 33 61.011 44.398-115.130 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.158 44.694-113.838 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.044 44.335-115.240 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.137 43.370-116.387 1.00 0.53 H new ATOM 0 HE21 GLN A 33 63.115 46.751-115.029 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.700 47.513-116.567 1.00 1.23 H new ATOM 293 N ARG A 34 59.581 42.261-113.652 1.00 0.49 N ATOM 294 CA ARG A 34 58.487 42.053-112.671 1.00 0.52 C ATOM 295 C ARG A 34 58.767 40.774-111.896 1.00 0.52 C ATOM 296 O ARG A 34 58.582 40.712-110.696 1.00 0.55 O ATOM 297 CB ARG A 34 57.155 41.926-113.405 1.00 0.56 C ATOM 298 CG ARG A 34 56.193 43.008-112.912 1.00 0.67 C ATOM 299 CD ARG A 34 55.933 42.816-111.417 1.00 1.59 C ATOM 300 NE ARG A 34 54.466 42.895-111.146 1.00 1.96 N ATOM 301 CZ ARG A 34 53.726 43.789-111.748 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.271 44.665-112.546 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.439 43.815-111.535 1.00 3.58 N ATOM 0 H ARG A 34 59.293 42.271-114.630 1.00 0.49 H new ATOM 0 HA ARG A 34 58.435 42.900-111.987 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.309 42.024-114.480 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.726 40.939-113.234 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.616 43.996-113.095 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.255 42.955-113.465 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.321 41.851-111.092 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.460 43.580-110.846 1.00 1.59 H new ATOM 0 HE ARG A 34 54.038 42.246-110.486 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.279 44.655-112.703 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.689 45.360-113.013 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.013 43.139-110.901 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.859 44.511-112.003 1.00 3.58 H new ATOM 317 N LEU A 35 59.243 39.758-112.560 1.00 0.50 N ATOM 318 CA LEU A 35 59.569 38.502-111.837 1.00 0.54 C ATOM 319 C LEU A 35 60.844 38.756-111.043 1.00 0.55 C ATOM 320 O LEU A 35 61.235 37.985-110.189 1.00 0.61 O ATOM 321 CB LEU A 35 59.795 37.369-112.838 1.00 0.57 C ATOM 322 CG LEU A 35 58.446 36.784-113.256 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.725 37.772-114.175 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.672 35.466-114.000 1.00 0.84 C ATOM 0 H LEU A 35 59.419 39.744-113.565 1.00 0.50 H new ATOM 0 HA LEU A 35 58.753 38.213-111.175 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.328 37.742-113.712 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.418 36.593-112.392 1.00 0.57 H new ATOM 0 HG LEU A 35 57.837 36.602-112.370 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.763 37.356-114.474 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.565 38.711-113.646 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.332 37.954-115.062 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.711 35.047-114.299 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.280 35.648-114.886 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.186 34.762-113.346 1.00 0.84 H new ATOM 336 N HIS A 36 61.484 39.856-111.327 1.00 0.53 N ATOM 337 CA HIS A 36 62.739 40.219-110.600 1.00 0.58 C ATOM 338 C HIS A 36 63.828 39.163-110.827 1.00 0.49 C ATOM 339 O HIS A 36 64.289 38.517-109.908 1.00 1.37 O ATOM 340 CB HIS A 36 62.447 40.336-109.102 1.00 0.98 C ATOM 341 CG HIS A 36 61.983 41.731-108.789 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.662 42.555-107.905 1.00 1.89 N ATOM 343 CD2 HIS A 36 60.911 42.464-109.235 1.00 1.60 C ATOM 344 CE1 HIS A 36 61.996 43.724-107.847 1.00 2.32 C ATOM 345 NE2 HIS A 36 60.921 43.721-108.639 1.00 2.17 N ATOM 0 H HIS A 36 61.191 40.527-112.037 1.00 0.53 H new ATOM 0 HA HIS A 36 63.097 41.174-110.985 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.684 39.614-108.812 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.343 40.102-108.527 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.172 42.117-109.942 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.295 44.562-107.235 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.251 44.478-108.777 1.00 2.17 H new ATOM 353 N LEU A 37 64.228 38.988-112.052 1.00 0.59 N ATOM 354 CA LEU A 37 65.280 37.969-112.338 1.00 0.43 C ATOM 355 C LEU A 37 66.649 38.635-112.160 1.00 0.44 C ATOM 356 O LEU A 37 66.910 39.675-112.731 1.00 0.42 O ATOM 357 CB LEU A 37 65.171 37.460-113.777 1.00 0.53 C ATOM 358 CG LEU A 37 63.718 37.146-114.123 1.00 0.49 C ATOM 359 CD1 LEU A 37 62.923 38.450-114.195 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.670 36.451-115.485 1.00 0.82 C ATOM 0 H LEU A 37 63.879 39.499-112.863 1.00 0.59 H new ATOM 0 HA LEU A 37 65.154 37.126-111.658 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.561 38.210-114.465 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.782 36.566-113.900 1.00 0.53 H new ATOM 0 HG LEU A 37 63.288 36.497-113.360 1.00 0.49 H new ATOM 0 HD11 LEU A 37 61.884 38.230-114.442 1.00 0.66 H new ATOM 0 HD12 LEU A 37 62.967 38.957-113.231 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.350 39.094-114.963 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.635 36.223-115.741 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.095 37.108-116.244 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.246 35.526-115.442 1.00 0.82 H new ATOM 372 N PRO A 38 67.519 38.055-111.365 1.00 0.57 N ATOM 373 CA PRO A 38 68.863 38.648-111.133 1.00 0.66 C ATOM 374 C PRO A 38 69.506 39.090-112.439 1.00 0.58 C ATOM 375 O PRO A 38 69.194 38.568-113.479 1.00 0.52 O ATOM 376 CB PRO A 38 69.631 37.479-110.515 1.00 0.81 C ATOM 377 CG PRO A 38 68.613 36.418-110.069 1.00 0.82 C ATOM 378 CD PRO A 38 67.241 36.776-110.661 1.00 0.69 C ATOM 0 HA PRO A 38 68.841 39.541-110.508 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.328 37.057-111.239 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.222 37.820-109.665 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.924 35.429-110.406 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.558 36.381-108.981 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.880 36.007-111.344 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.483 36.895-109.887 1.00 0.69 H new ATOM 386 N PRO A 39 70.392 40.040-112.393 1.00 0.62 N ATOM 387 CA PRO A 39 71.058 40.522-113.628 1.00 0.60 C ATOM 388 C PRO A 39 71.591 39.364-114.475 1.00 0.53 C ATOM 389 O PRO A 39 71.364 39.291-115.653 1.00 0.51 O ATOM 390 CB PRO A 39 72.199 41.375-113.071 1.00 0.74 C ATOM 391 CG PRO A 39 71.995 41.543-111.557 1.00 0.81 C ATOM 392 CD PRO A 39 70.797 40.690-111.123 1.00 0.74 C ATOM 0 HA PRO A 39 70.389 41.065-114.295 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.159 40.900-113.272 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.216 42.349-113.560 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.892 41.236-111.019 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.820 42.591-111.314 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.073 39.959-110.363 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.995 41.299-110.704 1.00 0.74 H new ATOM 400 N VAL A 40 72.331 38.490-113.874 1.00 0.52 N ATOM 401 CA VAL A 40 72.932 37.344-114.619 1.00 0.47 C ATOM 402 C VAL A 40 71.855 36.614-115.428 1.00 0.41 C ATOM 403 O VAL A 40 71.969 36.422-116.629 1.00 0.37 O ATOM 404 CB VAL A 40 73.554 36.374-113.608 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.487 35.416-113.077 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.671 35.575-114.284 1.00 0.50 C ATOM 0 H VAL A 40 72.554 38.514-112.879 1.00 0.52 H new ATOM 0 HA VAL A 40 73.693 37.716-115.305 1.00 0.47 H new ATOM 0 HB VAL A 40 73.967 36.944-112.775 1.00 0.50 H new ATOM 0 HG11 VAL A 40 72.938 34.731-112.359 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.697 35.986-112.587 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.064 34.847-113.905 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.112 34.886-113.564 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.260 35.011-115.121 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.438 36.258-114.649 1.00 0.50 H new ATOM 416 N ARG A 41 70.801 36.229-114.780 1.00 0.42 N ATOM 417 CA ARG A 41 69.705 35.524-115.496 1.00 0.40 C ATOM 418 C ARG A 41 68.911 36.551-116.289 1.00 0.34 C ATOM 419 O ARG A 41 68.249 36.239-117.266 1.00 0.30 O ATOM 420 CB ARG A 41 68.788 34.833-114.485 1.00 0.46 C ATOM 421 CG ARG A 41 67.788 33.941-115.225 1.00 0.87 C ATOM 422 CD ARG A 41 66.916 33.199-114.211 1.00 1.00 C ATOM 423 NE ARG A 41 67.785 32.509-113.217 1.00 1.53 N ATOM 424 CZ ARG A 41 67.275 32.068-112.099 1.00 2.18 C ATOM 425 NH1 ARG A 41 66.005 32.233-111.853 1.00 2.54 N ATOM 426 NH2 ARG A 41 68.036 31.464-111.228 1.00 3.12 N ATOM 0 H ARG A 41 70.647 36.371-113.782 1.00 0.42 H new ATOM 0 HA ARG A 41 70.120 34.771-116.166 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.380 34.236-113.791 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.257 35.578-113.892 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.164 34.545-115.884 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.319 33.227-115.855 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.252 33.900-113.705 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.283 32.473-114.722 1.00 1.00 H new ATOM 0 HE ARG A 41 68.778 32.381-113.410 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.411 32.706-112.534 1.00 2.54 H new ATOM 0 HH12 ARG A 41 65.606 31.889-110.980 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.029 31.336-111.421 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.637 31.120-110.355 1.00 3.12 H new ATOM 440 N LEU A 42 68.988 37.785-115.880 1.00 0.35 N ATOM 441 CA LEU A 42 68.248 38.843-116.606 1.00 0.30 C ATOM 442 C LEU A 42 69.042 39.220-117.845 1.00 0.31 C ATOM 443 O LEU A 42 68.502 39.717-118.800 1.00 0.49 O ATOM 444 CB LEU A 42 68.041 40.063-115.708 1.00 0.32 C ATOM 445 CG LEU A 42 66.820 40.847-116.200 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.537 40.188-115.706 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.882 42.276-115.659 1.00 0.60 C ATOM 0 H LEU A 42 69.530 38.103-115.077 1.00 0.35 H new ATOM 0 HA LEU A 42 67.264 38.475-116.897 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.894 39.749-114.675 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.927 40.697-115.726 1.00 0.32 H new ATOM 0 HG LEU A 42 66.824 40.857-117.290 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.677 40.754-116.062 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.482 39.168-116.086 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.534 40.170-114.616 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.014 42.835-116.008 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.884 42.253-114.569 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.792 42.760-116.013 1.00 0.60 H new ATOM 459 N ALA A 43 70.317 38.949-117.857 1.00 0.30 N ATOM 460 CA ALA A 43 71.131 39.246-119.058 1.00 0.30 C ATOM 461 C ALA A 43 70.938 38.056-119.974 1.00 0.29 C ATOM 462 O ALA A 43 70.898 38.160-121.176 1.00 0.28 O ATOM 463 CB ALA A 43 72.604 39.384-118.670 1.00 0.36 C ATOM 0 H ALA A 43 70.829 38.532-117.080 1.00 0.30 H new ATOM 0 HA ALA A 43 70.833 40.179-119.536 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.196 39.602-119.559 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.716 40.196-117.951 1.00 0.36 H new ATOM 0 HB3 ALA A 43 72.951 38.453-118.223 1.00 0.36 H new ATOM 469 N GLU A 44 70.778 36.917-119.377 1.00 0.30 N ATOM 470 CA GLU A 44 70.527 35.717-120.206 1.00 0.32 C ATOM 471 C GLU A 44 69.261 36.028-121.012 1.00 0.30 C ATOM 472 O GLU A 44 69.280 36.110-122.224 1.00 0.34 O ATOM 473 CB GLU A 44 70.307 34.493-119.315 1.00 0.37 C ATOM 474 CG GLU A 44 70.793 33.237-120.042 1.00 1.15 C ATOM 475 CD GLU A 44 70.411 31.997-119.233 1.00 2.05 C ATOM 476 OE1 GLU A 44 69.806 32.161-118.186 1.00 2.92 O ATOM 477 OE2 GLU A 44 70.732 30.905-119.672 1.00 2.80 O ATOM 0 H GLU A 44 70.809 36.765-118.369 1.00 0.30 H new ATOM 0 HA GLU A 44 71.372 35.491-120.857 1.00 0.32 H new ATOM 0 HB2 GLU A 44 70.846 34.613-118.375 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.250 34.396-119.067 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.350 33.186-121.037 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.874 33.277-120.176 1.00 1.15 H new ATOM 484 N LEU A 45 68.165 36.216-120.329 1.00 0.28 N ATOM 485 CA LEU A 45 66.882 36.541-121.029 1.00 0.29 C ATOM 486 C LEU A 45 66.987 37.924-121.699 1.00 0.24 C ATOM 487 O LEU A 45 66.746 38.077-122.874 1.00 0.25 O ATOM 488 CB LEU A 45 65.744 36.558-120.002 1.00 0.34 C ATOM 489 CG LEU A 45 64.501 37.211-120.613 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.999 36.364-121.784 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.406 37.307-119.549 1.00 0.77 C ATOM 0 H LEU A 45 68.099 36.159-119.313 1.00 0.28 H new ATOM 0 HA LEU A 45 66.683 35.789-121.793 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.513 35.541-119.685 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.053 37.106-119.112 1.00 0.34 H new ATOM 0 HG LEU A 45 64.754 38.209-120.971 1.00 0.41 H new ATOM 0 HD11 LEU A 45 63.114 36.830-122.217 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.779 36.292-122.542 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.745 35.365-121.428 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.519 37.772-119.980 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.156 36.308-119.193 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.762 37.910-118.714 1.00 0.77 H new ATOM 503 N HIS A 46 67.343 38.921-120.943 1.00 0.21 N ATOM 504 CA HIS A 46 67.461 40.296-121.533 1.00 0.20 C ATOM 505 C HIS A 46 68.275 40.189-122.825 1.00 0.19 C ATOM 506 O HIS A 46 67.873 40.653-123.876 1.00 0.21 O ATOM 507 CB HIS A 46 68.169 41.254-120.573 1.00 0.23 C ATOM 508 CG HIS A 46 68.216 42.628-121.186 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.385 43.168-121.699 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.246 43.583-121.377 1.00 0.27 C ATOM 511 CE1 HIS A 46 69.093 44.395-122.168 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.804 44.697-121.997 1.00 0.31 N ATOM 0 H HIS A 46 67.558 38.853-119.948 1.00 0.21 H new ATOM 0 HA HIS A 46 66.462 40.688-121.726 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.642 41.287-119.619 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.179 40.900-120.367 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.210 43.484-121.090 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.814 45.055-122.627 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.330 45.560-122.264 1.00 0.31 H new ATOM 520 N ALA A 47 69.418 39.572-122.740 1.00 0.19 N ATOM 521 CA ALA A 47 70.294 39.408-123.934 1.00 0.22 C ATOM 522 C ALA A 47 69.509 38.742-125.058 1.00 0.21 C ATOM 523 O ALA A 47 69.366 39.281-126.137 1.00 0.22 O ATOM 524 CB ALA A 47 71.487 38.520-123.562 1.00 0.27 C ATOM 0 H ALA A 47 69.789 39.167-121.880 1.00 0.19 H new ATOM 0 HA ALA A 47 70.644 40.386-124.265 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.133 38.395-124.431 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.051 38.988-122.755 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.127 37.545-123.235 1.00 0.27 H new ATOM 530 N ASP A 48 68.996 37.572-124.811 1.00 0.22 N ATOM 531 CA ASP A 48 68.216 36.868-125.867 1.00 0.25 C ATOM 532 C ASP A 48 67.131 37.810-126.385 1.00 0.22 C ATOM 533 O ASP A 48 66.964 37.991-127.573 1.00 0.25 O ATOM 534 CB ASP A 48 67.570 35.612-125.278 1.00 0.28 C ATOM 535 CG ASP A 48 68.660 34.642-124.821 1.00 0.31 C ATOM 536 OD1 ASP A 48 69.824 34.984-124.953 1.00 0.94 O ATOM 537 OD2 ASP A 48 68.313 33.572-124.347 1.00 0.84 O ATOM 0 H ASP A 48 69.082 37.072-123.926 1.00 0.22 H new ATOM 0 HA ASP A 48 68.876 36.577-126.685 1.00 0.25 H new ATOM 0 HB2 ASP A 48 66.931 35.880-124.437 1.00 0.28 H new ATOM 0 HB3 ASP A 48 66.933 35.135-126.023 1.00 0.28 H new ATOM 542 N LEU A 49 66.404 38.419-125.495 1.00 0.19 N ATOM 543 CA LEU A 49 65.341 39.363-125.926 1.00 0.19 C ATOM 544 C LEU A 49 65.953 40.363-126.901 1.00 0.18 C ATOM 545 O LEU A 49 65.339 40.741-127.877 1.00 0.19 O ATOM 546 CB LEU A 49 64.768 40.091-124.709 1.00 0.18 C ATOM 547 CG LEU A 49 63.971 39.104-123.850 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.246 39.863-122.740 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.943 38.375-124.722 1.00 0.89 C ATOM 0 H LEU A 49 66.500 38.304-124.486 1.00 0.19 H new ATOM 0 HA LEU A 49 64.531 38.821-126.413 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.575 40.531-124.122 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.125 40.910-125.032 1.00 0.18 H new ATOM 0 HG LEU A 49 64.654 38.377-123.410 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.679 39.160-122.129 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.975 40.380-122.116 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.566 40.591-123.182 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.378 37.674-124.108 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.261 39.101-125.165 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.458 37.831-125.514 1.00 0.89 H new ATOM 561 N LYS A 50 67.172 40.775-126.666 1.00 0.20 N ATOM 562 CA LYS A 50 67.815 41.722-127.615 1.00 0.21 C ATOM 563 C LYS A 50 68.059 40.968-128.919 1.00 0.23 C ATOM 564 O LYS A 50 67.595 41.352-129.972 1.00 0.24 O ATOM 565 CB LYS A 50 69.148 42.213-127.041 1.00 0.24 C ATOM 566 CG LYS A 50 68.939 42.720-125.612 1.00 0.36 C ATOM 567 CD LYS A 50 69.406 44.174-125.505 1.00 0.84 C ATOM 568 CE LYS A 50 70.927 44.212-125.350 1.00 1.09 C ATOM 569 NZ LYS A 50 71.447 45.510-125.868 1.00 1.84 N ATOM 0 H LYS A 50 67.742 40.499-125.866 1.00 0.20 H new ATOM 0 HA LYS A 50 67.176 42.589-127.784 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.878 41.403-127.047 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.552 43.011-127.665 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.886 42.646-125.340 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.494 42.097-124.910 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.107 44.729-126.394 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.931 44.658-124.652 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.200 44.091-124.302 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.380 43.383-125.895 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.481 45.536-125.763 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.199 45.607-126.873 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.024 46.293-125.330 1.00 1.84 H new ATOM 583 N ILE A 51 68.776 39.885-128.851 1.00 0.25 N ATOM 584 CA ILE A 51 69.026 39.112-130.094 1.00 0.27 C ATOM 585 C ILE A 51 67.693 39.048-130.836 1.00 0.26 C ATOM 586 O ILE A 51 67.551 39.542-131.949 1.00 0.25 O ATOM 587 CB ILE A 51 69.498 37.698-129.749 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.007 37.714-129.499 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.185 36.757-130.913 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.324 38.696-128.373 1.00 0.30 C ATOM 0 H ILE A 51 69.194 39.506-128.002 1.00 0.25 H new ATOM 0 HA ILE A 51 69.799 39.582-130.702 1.00 0.27 H new ATOM 0 HB ILE A 51 68.983 37.351-128.853 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.353 36.715-129.234 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.534 38.003-130.408 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.521 35.750-130.667 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.110 36.747-131.094 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.700 37.103-131.809 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.399 38.709-128.193 1.00 0.30 H new ATOM 0 HD12 ILE A 51 70.992 39.695-128.657 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.808 38.386-127.464 1.00 0.30 H new ATOM 602 N GLN A 52 66.692 38.482-130.218 1.00 0.26 N ATOM 603 CA GLN A 52 65.367 38.434-130.870 1.00 0.27 C ATOM 604 C GLN A 52 64.975 39.860-131.242 1.00 0.24 C ATOM 605 O GLN A 52 64.225 40.073-132.157 1.00 0.26 O ATOM 606 CB GLN A 52 64.335 37.851-129.902 1.00 0.32 C ATOM 607 CG GLN A 52 63.051 37.521-130.664 1.00 0.45 C ATOM 608 CD GLN A 52 63.092 36.064-131.128 1.00 0.62 C ATOM 609 OE1 GLN A 52 62.530 35.196-130.490 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.737 35.758-132.219 1.00 0.48 N ATOM 0 H GLN A 52 66.741 38.054-129.293 1.00 0.26 H new ATOM 0 HA GLN A 52 65.404 37.805-131.760 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.731 36.952-129.429 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.125 38.564-129.105 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.184 37.686-130.025 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.945 38.184-131.523 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.209 36.487-132.754 1.00 0.48 H new ATOM 0 HE22 GLN A 52 63.770 34.790-132.537 1.00 0.48 H new ATOM 619 N GLU A 53 65.462 40.841-130.522 1.00 0.23 N ATOM 620 CA GLU A 53 65.096 42.249-130.855 1.00 0.23 C ATOM 621 C GLU A 53 65.762 42.647-132.168 1.00 0.20 C ATOM 622 O GLU A 53 65.202 43.369-132.960 1.00 0.21 O ATOM 623 CB GLU A 53 65.565 43.209-129.766 1.00 0.25 C ATOM 624 CG GLU A 53 65.191 44.635-130.180 1.00 0.28 C ATOM 625 CD GLU A 53 66.440 45.520-130.151 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.507 45.015-130.457 1.00 1.04 O ATOM 627 OE2 GLU A 53 66.308 46.687-129.821 1.00 1.09 O ATOM 0 H GLU A 53 66.090 40.728-129.727 1.00 0.23 H new ATOM 0 HA GLU A 53 64.011 42.307-130.938 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.100 42.957-128.813 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.643 43.126-129.626 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.757 44.633-131.180 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.434 45.034-129.505 1.00 0.28 H new ATOM 634 N ARG A 54 66.956 42.189-132.410 1.00 0.22 N ATOM 635 CA ARG A 54 67.636 42.551-133.679 1.00 0.22 C ATOM 636 C ARG A 54 66.913 41.862-134.827 1.00 0.20 C ATOM 637 O ARG A 54 66.787 42.386-135.918 1.00 0.21 O ATOM 638 CB ARG A 54 69.079 42.056-133.633 1.00 0.24 C ATOM 639 CG ARG A 54 69.904 42.983-132.744 1.00 0.27 C ATOM 640 CD ARG A 54 70.780 43.887-133.615 1.00 0.85 C ATOM 641 NE ARG A 54 71.506 43.059-134.619 1.00 1.55 N ATOM 642 CZ ARG A 54 72.072 43.628-135.649 1.00 2.09 C ATOM 643 NH1 ARG A 54 72.001 44.923-135.798 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.708 42.903-136.528 1.00 3.03 N ATOM 0 H ARG A 54 67.488 41.582-131.786 1.00 0.22 H new ATOM 0 HA ARG A 54 67.623 43.632-133.817 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.114 41.037-133.247 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.499 42.030-134.639 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.245 43.589-132.122 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.528 42.396-132.070 1.00 0.27 H new ATOM 0 HD2 ARG A 54 70.164 44.632-134.119 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.492 44.430-132.993 1.00 0.85 H new ATOM 0 HE ARG A 54 71.561 42.047-134.502 1.00 1.55 H new ATOM 0 HH11 ARG A 54 71.504 45.489-135.110 1.00 2.40 H new ATOM 0 HH12 ARG A 54 72.443 45.369-136.602 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.763 41.891-136.411 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.150 43.348-137.332 1.00 3.03 H new ATOM 658 N ASP A 55 66.403 40.698-134.563 1.00 0.20 N ATOM 659 CA ASP A 55 65.654 39.958-135.619 1.00 0.21 C ATOM 660 C ASP A 55 64.200 40.450-135.655 1.00 0.21 C ATOM 661 O ASP A 55 63.594 40.579-136.705 1.00 0.20 O ATOM 662 CB ASP A 55 65.677 38.461-135.304 1.00 0.25 C ATOM 663 CG ASP A 55 67.113 37.942-135.398 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.937 38.639-135.967 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.365 36.858-134.898 1.00 0.94 O ATOM 0 H ASP A 55 66.470 40.223-133.663 1.00 0.20 H new ATOM 0 HA ASP A 55 66.121 40.134-136.588 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.279 38.283-134.305 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.038 37.922-136.003 1.00 0.25 H new ATOM 670 N GLU A 56 63.652 40.770-134.517 1.00 0.27 N ATOM 671 CA GLU A 56 62.259 41.278-134.471 1.00 0.32 C ATOM 672 C GLU A 56 62.255 42.676-135.049 1.00 0.30 C ATOM 673 O GLU A 56 61.514 42.981-135.952 1.00 0.31 O ATOM 674 CB GLU A 56 61.764 41.313-133.024 1.00 0.39 C ATOM 675 CG GLU A 56 61.171 39.951-132.654 1.00 0.44 C ATOM 676 CD GLU A 56 59.721 39.878-133.137 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.426 40.480-134.156 1.00 1.39 O ATOM 678 OE2 GLU A 56 58.932 39.221-132.479 1.00 1.72 O ATOM 0 H GLU A 56 64.115 40.700-133.611 1.00 0.27 H new ATOM 0 HA GLU A 56 61.599 40.627-135.045 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.587 41.558-132.353 1.00 0.39 H new ATOM 0 HB3 GLU A 56 61.012 42.093-132.904 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.757 39.152-133.107 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.214 39.805-131.575 1.00 0.44 H new ATOM 685 N LEU A 57 63.113 43.523-134.568 1.00 0.30 N ATOM 686 CA LEU A 57 63.172 44.883-135.142 1.00 0.32 C ATOM 687 C LEU A 57 63.472 44.709-136.630 1.00 0.28 C ATOM 688 O LEU A 57 62.816 45.273-137.484 1.00 0.29 O ATOM 689 CB LEU A 57 64.288 45.694-134.477 1.00 0.36 C ATOM 690 CG LEU A 57 63.789 46.254-133.144 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.976 46.777-132.334 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.810 47.399-133.410 1.00 1.22 C ATOM 0 H LEU A 57 63.769 43.333-133.810 1.00 0.30 H new ATOM 0 HA LEU A 57 62.235 45.417-134.982 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.162 45.064-134.314 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.600 46.508-135.131 1.00 0.36 H new ATOM 0 HG LEU A 57 63.286 45.466-132.583 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.621 47.176-131.384 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.676 45.962-132.146 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.479 47.566-132.893 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.453 47.800-132.461 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.315 48.186-133.970 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.964 47.028-133.988 1.00 1.22 H new ATOM 704 N ALA A 58 64.439 43.883-136.945 1.00 0.25 N ATOM 705 CA ALA A 58 64.741 43.630-138.377 1.00 0.24 C ATOM 706 C ALA A 58 63.447 43.149-139.028 1.00 0.21 C ATOM 707 O ALA A 58 63.235 43.289-140.218 1.00 0.21 O ATOM 708 CB ALA A 58 65.818 42.550-138.500 1.00 0.24 C ATOM 0 H ALA A 58 65.023 43.381-136.277 1.00 0.25 H new ATOM 0 HA ALA A 58 65.110 44.533-138.863 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.034 42.370-139.553 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.725 42.882-137.995 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.463 41.628-138.040 1.00 0.24 H new ATOM 714 N TRP A 59 62.558 42.609-138.232 1.00 0.19 N ATOM 715 CA TRP A 59 61.260 42.147-138.790 1.00 0.18 C ATOM 716 C TRP A 59 60.302 43.341-138.927 1.00 0.20 C ATOM 717 O TRP A 59 59.819 43.628-140.006 1.00 0.30 O ATOM 718 CB TRP A 59 60.625 41.084-137.897 1.00 0.19 C ATOM 719 CG TRP A 59 59.399 40.586-138.586 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.376 39.610-139.522 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.026 41.036-138.426 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.076 39.442-139.958 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.205 40.294-139.306 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.421 42.008-137.609 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.827 40.513-139.374 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.039 42.228-137.674 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.243 41.483-138.555 1.00 0.39 C ATOM 0 H TRP A 59 62.677 42.471-137.228 1.00 0.19 H new ATOM 0 HA TRP A 59 61.447 41.707-139.770 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.323 40.266-137.720 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.373 41.504-136.923 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.233 39.053-139.871 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.794 38.772-140.673 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.025 42.588-136.928 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.218 39.937-140.054 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.584 42.976-137.042 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.178 41.659-138.601 1.00 0.39 H new ATOM 738 N LYS A 60 60.017 44.042-137.855 1.00 0.27 N ATOM 739 CA LYS A 60 59.088 45.200-137.987 1.00 0.30 C ATOM 740 C LYS A 60 59.492 45.933-139.262 1.00 0.29 C ATOM 741 O LYS A 60 58.676 46.453-139.999 1.00 0.31 O ATOM 742 CB LYS A 60 59.207 46.132-136.773 1.00 0.38 C ATOM 743 CG LYS A 60 60.364 47.114-136.972 1.00 0.42 C ATOM 744 CD LYS A 60 60.430 48.069-135.778 1.00 1.08 C ATOM 745 CE LYS A 60 61.539 49.098-136.009 1.00 1.53 C ATOM 746 NZ LYS A 60 61.026 50.194-136.879 1.00 2.27 N ATOM 0 H LYS A 60 60.379 43.866-136.918 1.00 0.27 H new ATOM 0 HA LYS A 60 58.051 44.866-138.034 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.275 46.680-136.633 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.370 45.545-135.869 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.304 46.571-137.070 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.223 47.677-137.895 1.00 0.42 H new ATOM 0 HD2 LYS A 60 59.472 48.573-135.649 1.00 1.08 H new ATOM 0 HD3 LYS A 60 60.622 47.510-134.862 1.00 1.08 H new ATOM 0 HE2 LYS A 60 61.877 49.504-135.056 1.00 1.53 H new ATOM 0 HE3 LYS A 60 62.401 48.621-136.476 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 61.779 50.894-137.036 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 60.724 49.799-137.792 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.217 50.655-136.416 1.00 2.27 H new ATOM 760 N LYS A 61 60.764 45.921-139.540 1.00 0.28 N ATOM 761 CA LYS A 61 61.255 46.563-140.783 1.00 0.30 C ATOM 762 C LYS A 61 60.827 45.684-141.958 1.00 0.27 C ATOM 763 O LYS A 61 60.279 46.158-142.921 1.00 0.35 O ATOM 764 CB LYS A 61 62.776 46.690-140.756 1.00 0.35 C ATOM 765 CG LYS A 61 63.222 47.253-139.405 1.00 0.40 C ATOM 766 CD LYS A 61 63.930 48.593-139.616 1.00 0.77 C ATOM 767 CE LYS A 61 64.276 49.208-138.259 1.00 1.42 C ATOM 768 NZ LYS A 61 64.460 48.123-137.253 1.00 2.43 N ATOM 0 H LYS A 61 61.484 45.493-138.958 1.00 0.28 H new ATOM 0 HA LYS A 61 60.837 47.565-140.878 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.235 45.716-140.924 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.110 47.344-141.562 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.359 47.385-138.752 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.892 46.550-138.910 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.837 48.448-140.203 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.289 49.270-140.181 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.186 49.802-138.339 1.00 1.42 H new ATOM 0 HE3 LYS A 61 63.481 49.883-137.940 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 64.794 48.533-136.357 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 63.553 47.638-137.095 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.161 47.440-137.604 1.00 2.43 H new ATOM 782 N LEU A 62 61.067 44.400-141.882 1.00 0.24 N ATOM 783 CA LEU A 62 60.655 43.505-143.000 1.00 0.24 C ATOM 784 C LEU A 62 59.207 43.793-143.363 1.00 0.24 C ATOM 785 O LEU A 62 58.892 44.193-144.466 1.00 0.26 O ATOM 786 CB LEU A 62 60.742 42.045-142.559 1.00 0.24 C ATOM 787 CG LEU A 62 62.145 41.502-142.809 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.467 40.443-141.755 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.198 40.866-144.201 1.00 0.41 C ATOM 0 H LEU A 62 61.528 43.937-141.099 1.00 0.24 H new ATOM 0 HA LEU A 62 61.313 43.681-143.851 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.495 41.962-141.501 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.011 41.449-143.105 1.00 0.24 H new ATOM 0 HG LEU A 62 62.872 42.312-142.749 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.469 40.050-141.928 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.419 40.891-140.763 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.743 39.631-141.822 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.199 40.476-144.385 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.476 40.052-144.257 1.00 0.41 H new ATOM 0 HD23 LEU A 62 61.957 41.617-144.954 1.00 0.41 H new ATOM 801 N LYS A 63 58.320 43.568-142.437 1.00 0.24 N ATOM 802 CA LYS A 63 56.878 43.802-142.720 1.00 0.26 C ATOM 803 C LYS A 63 56.684 45.239-143.208 1.00 0.29 C ATOM 804 O LYS A 63 55.909 45.502-144.105 1.00 0.30 O ATOM 805 CB LYS A 63 56.054 43.573-141.449 1.00 0.34 C ATOM 806 CG LYS A 63 56.052 44.845-140.597 1.00 0.46 C ATOM 807 CD LYS A 63 55.251 44.601-139.318 1.00 0.41 C ATOM 808 CE LYS A 63 54.280 45.762-139.094 1.00 0.58 C ATOM 809 NZ LYS A 63 53.093 45.594-139.979 1.00 1.20 N ATOM 0 H LYS A 63 58.530 43.232-141.497 1.00 0.24 H new ATOM 0 HA LYS A 63 56.544 43.107-143.490 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.032 43.298-141.711 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.471 42.743-140.879 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.074 45.131-140.349 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.617 45.671-141.159 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.701 43.663-139.394 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.925 44.507-138.467 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.967 45.793-138.050 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.774 46.710-139.307 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.432 46.383-139.827 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.399 45.585-140.973 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 52.618 44.696-139.755 1.00 1.20 H new ATOM 823 N LEU A 64 57.393 46.173-142.629 1.00 0.33 N ATOM 824 CA LEU A 64 57.270 47.596-143.058 1.00 0.43 C ATOM 825 C LEU A 64 57.688 47.734-144.524 1.00 0.52 C ATOM 826 O LEU A 64 57.011 48.341-145.329 1.00 0.75 O ATOM 827 CB LEU A 64 58.196 48.437-142.173 1.00 0.38 C ATOM 828 CG LEU A 64 57.449 48.866-140.911 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.430 49.516-139.933 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.359 49.874-141.282 1.00 1.23 C ATOM 0 H LEU A 64 58.056 46.009-141.872 1.00 0.33 H new ATOM 0 HA LEU A 64 56.239 47.935-142.959 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.082 47.861-141.905 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.540 49.315-142.720 1.00 0.38 H new ATOM 0 HG LEU A 64 56.994 47.992-140.444 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.897 49.822-139.033 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.208 48.800-139.668 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.885 50.390-140.400 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.826 50.181-140.382 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.815 50.747-141.749 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.659 49.413-141.979 1.00 1.23 H new ATOM 842 N ASP A 65 58.808 47.171-144.859 1.00 0.45 N ATOM 843 CA ASP A 65 59.311 47.246-146.255 1.00 0.60 C ATOM 844 C ASP A 65 58.542 46.253-147.126 1.00 0.96 C ATOM 845 O ASP A 65 58.752 46.172-148.320 1.00 0.98 O ATOM 846 CB ASP A 65 60.801 46.901-146.280 1.00 0.53 C ATOM 847 CG ASP A 65 61.590 47.990-145.552 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.020 49.038-145.299 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.752 47.757-145.259 1.00 1.14 O ATOM 0 H ASP A 65 59.407 46.653-144.216 1.00 0.45 H new ATOM 0 HA ASP A 65 59.167 48.255-146.640 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.969 45.935-145.804 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.147 46.813-147.310 1.00 0.53 H new ATOM 854 N GLY A 66 57.658 45.490-146.542 1.00 1.30 N ATOM 855 CA GLY A 66 56.893 44.502-147.350 1.00 1.72 C ATOM 856 C GLY A 66 57.855 43.428-147.849 1.00 0.91 C ATOM 857 O GLY A 66 58.067 43.272-149.035 1.00 1.14 O ATOM 0 H GLY A 66 57.435 45.509-145.547 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.104 44.052-146.748 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.409 44.996-148.192 1.00 1.72 H new ATOM 861 N LEU A 67 58.451 42.686-146.954 1.00 0.37 N ATOM 862 CA LEU A 67 59.403 41.635-147.390 1.00 1.03 C ATOM 863 C LEU A 67 58.868 40.254-147.018 1.00 0.91 C ATOM 864 O LEU A 67 58.988 39.315-147.779 1.00 1.09 O ATOM 865 CB LEU A 67 60.755 41.865-146.716 1.00 1.69 C ATOM 866 CG LEU A 67 61.586 42.829-147.565 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.918 43.110-146.870 1.00 2.52 C ATOM 868 CD2 LEU A 67 61.849 42.199-148.936 1.00 2.68 C ATOM 0 H LEU A 67 58.318 42.765-145.946 1.00 0.37 H new ATOM 0 HA LEU A 67 59.522 41.685-148.472 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.611 42.275-145.716 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.282 40.918-146.600 1.00 1.69 H new ATOM 0 HG LEU A 67 61.041 43.764-147.690 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.507 43.797-147.477 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.732 43.557-145.894 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.466 42.176-146.743 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.441 42.884-149.543 1.00 2.68 H new ATOM 0 HD22 LEU A 67 62.394 41.264-148.808 1.00 2.68 H new ATOM 0 HD23 LEU A 67 60.900 42.001-149.434 1.00 2.68 H new ATOM 880 N ASP A 68 58.234 40.121-145.886 1.00 0.69 N ATOM 881 CA ASP A 68 57.644 38.808-145.512 1.00 0.59 C ATOM 882 C ASP A 68 56.123 38.921-145.527 1.00 0.59 C ATOM 883 O ASP A 68 55.550 39.438-144.588 1.00 0.59 O ATOM 884 CB ASP A 68 58.073 38.458-144.086 1.00 0.53 C ATOM 885 CG ASP A 68 57.817 36.971-143.829 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.345 36.307-144.737 1.00 0.97 O ATOM 887 OD2 ASP A 68 58.097 36.523-142.730 1.00 1.19 O ATOM 0 H ASP A 68 58.100 40.867-145.204 1.00 0.69 H new ATOM 0 HA ASP A 68 57.979 38.045-146.215 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.130 38.686-143.946 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.519 39.063-143.369 1.00 0.53 H new ATOM 892 N GLU A 69 55.426 38.426-146.512 1.00 0.63 N ATOM 893 CA GLU A 69 53.947 38.519-146.438 1.00 0.69 C ATOM 894 C GLU A 69 53.477 37.282-145.687 1.00 0.71 C ATOM 895 O GLU A 69 52.587 37.328-144.861 1.00 0.77 O ATOM 896 CB GLU A 69 53.352 38.537-147.848 1.00 0.73 C ATOM 897 CG GLU A 69 53.389 37.125-148.437 1.00 0.75 C ATOM 898 CD GLU A 69 52.223 36.307-147.879 1.00 1.36 C ATOM 899 OE1 GLU A 69 51.488 36.841-147.063 1.00 2.06 O ATOM 900 OE2 GLU A 69 52.084 35.163-148.276 1.00 1.82 O ATOM 0 H GLU A 69 55.806 37.973-147.343 1.00 0.63 H new ATOM 0 HA GLU A 69 53.631 39.432-145.933 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.325 38.902-147.816 1.00 0.73 H new ATOM 0 HB3 GLU A 69 53.914 39.222-148.483 1.00 0.73 H new ATOM 0 HG2 GLU A 69 53.327 37.172-149.524 1.00 0.75 H new ATOM 0 HG3 GLU A 69 54.335 36.642-148.192 1.00 0.75 H new ATOM 907 N ASP A 70 54.108 36.173-145.966 1.00 0.72 N ATOM 908 CA ASP A 70 53.746 34.914-145.263 1.00 0.78 C ATOM 909 C ASP A 70 53.975 35.144-143.774 1.00 0.69 C ATOM 910 O ASP A 70 53.418 34.476-142.926 1.00 0.84 O ATOM 911 CB ASP A 70 54.636 33.770-145.755 1.00 0.83 C ATOM 912 CG ASP A 70 54.096 33.237-147.084 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.900 33.343-147.299 1.00 1.43 O ATOM 914 OD2 ASP A 70 54.888 32.735-147.863 1.00 1.34 O ATOM 0 H ASP A 70 54.859 36.087-146.651 1.00 0.72 H new ATOM 0 HA ASP A 70 52.707 34.647-145.458 1.00 0.78 H new ATOM 0 HB2 ASP A 70 55.660 34.121-145.881 1.00 0.83 H new ATOM 0 HB3 ASP A 70 54.662 32.971-145.014 1.00 0.83 H new ATOM 919 N GLY A 71 54.793 36.110-143.466 1.00 0.50 N ATOM 920 CA GLY A 71 55.081 36.435-142.046 1.00 0.43 C ATOM 921 C GLY A 71 55.925 35.330-141.415 1.00 0.34 C ATOM 922 O GLY A 71 56.103 35.292-140.215 1.00 0.31 O ATOM 0 H GLY A 71 55.279 36.694-144.147 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.608 37.387-141.983 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.148 36.550-141.495 1.00 0.43 H new ATOM 926 N GLU A 72 56.455 34.427-142.200 1.00 0.36 N ATOM 927 CA GLU A 72 57.280 33.349-141.591 1.00 0.34 C ATOM 928 C GLU A 72 58.368 34.007-140.746 1.00 0.30 C ATOM 929 O GLU A 72 58.547 33.690-139.590 1.00 0.30 O ATOM 930 CB GLU A 72 57.923 32.508-142.696 1.00 0.40 C ATOM 931 CG GLU A 72 58.642 31.309-142.072 1.00 1.23 C ATOM 932 CD GLU A 72 59.325 30.494-143.173 1.00 1.97 C ATOM 933 OE1 GLU A 72 59.192 30.867-144.327 1.00 2.68 O ATOM 934 OE2 GLU A 72 59.967 29.512-142.843 1.00 2.64 O ATOM 0 H GLU A 72 56.354 34.391-143.214 1.00 0.36 H new ATOM 0 HA GLU A 72 56.661 32.700-140.972 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.161 32.165-143.396 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.629 33.113-143.264 1.00 0.40 H new ATOM 0 HG2 GLU A 72 59.380 31.651-141.347 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.930 30.685-141.532 1.00 1.23 H new ATOM 941 N LYS A 73 59.094 34.928-141.314 1.00 0.31 N ATOM 942 CA LYS A 73 60.165 35.606-140.535 1.00 0.33 C ATOM 943 C LYS A 73 59.595 36.011-139.173 1.00 0.29 C ATOM 944 O LYS A 73 60.248 35.900-138.145 1.00 0.29 O ATOM 945 CB LYS A 73 60.638 36.846-141.304 1.00 0.38 C ATOM 946 CG LYS A 73 60.962 36.458-142.751 1.00 0.55 C ATOM 947 CD LYS A 73 61.800 37.556-143.405 1.00 1.07 C ATOM 948 CE LYS A 73 63.278 37.336-143.067 1.00 1.38 C ATOM 949 NZ LYS A 73 64.121 38.231-143.908 1.00 2.36 N ATOM 0 H LYS A 73 58.993 35.239-142.280 1.00 0.31 H new ATOM 0 HA LYS A 73 61.014 34.938-140.388 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.865 37.614-141.287 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.520 37.270-140.824 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.505 35.513-142.771 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.040 36.308-143.312 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.657 37.544-144.485 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.476 38.535-143.052 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.454 37.540-142.011 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.550 36.295-143.240 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.978 37.722-144.205 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.584 38.525-144.748 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 64.391 39.071-143.358 1.00 2.36 H new ATOM 963 N GLU A 74 58.349 36.393-139.145 1.00 0.28 N ATOM 964 CA GLU A 74 57.707 36.721-137.846 1.00 0.28 C ATOM 965 C GLU A 74 57.469 35.390-137.149 1.00 0.26 C ATOM 966 O GLU A 74 57.531 35.268-135.952 1.00 0.27 O ATOM 967 CB GLU A 74 56.372 37.428-138.089 1.00 0.31 C ATOM 968 CG GLU A 74 56.020 38.278-136.869 1.00 0.37 C ATOM 969 CD GLU A 74 54.508 38.249-136.643 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.908 37.221-136.911 1.00 1.14 O ATOM 971 OE2 GLU A 74 53.975 39.254-136.204 1.00 1.11 O ATOM 0 H GLU A 74 57.750 36.492-139.965 1.00 0.28 H new ATOM 0 HA GLU A 74 58.331 37.383-137.245 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.437 38.056-138.977 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.587 36.694-138.274 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.537 37.899-135.988 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.356 39.304-137.019 1.00 0.37 H new ATOM 978 N ALA A 75 57.206 34.392-137.936 1.00 0.25 N ATOM 979 CA ALA A 75 56.979 33.042-137.363 1.00 0.27 C ATOM 980 C ALA A 75 58.272 32.633-136.674 1.00 0.26 C ATOM 981 O ALA A 75 58.323 32.510-135.470 1.00 0.27 O ATOM 982 CB ALA A 75 56.621 32.041-138.463 1.00 0.30 C ATOM 0 H ALA A 75 57.138 34.452-138.952 1.00 0.25 H new ATOM 0 HA ALA A 75 56.148 33.057-136.658 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.459 31.058-138.021 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.712 32.366-138.969 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.437 31.985-139.184 1.00 0.30 H new ATOM 988 N ARG A 76 59.319 32.415-137.413 1.00 0.28 N ATOM 989 CA ARG A 76 60.593 32.009-136.765 1.00 0.31 C ATOM 990 C ARG A 76 60.863 32.907-135.565 1.00 0.28 C ATOM 991 O ARG A 76 61.355 32.459-134.547 1.00 0.30 O ATOM 992 CB ARG A 76 61.744 32.122-137.767 1.00 0.35 C ATOM 993 CG ARG A 76 63.019 31.550-137.145 1.00 0.66 C ATOM 994 CD ARG A 76 64.150 31.587-138.175 1.00 1.00 C ATOM 995 NE ARG A 76 64.570 32.999-138.401 1.00 1.51 N ATOM 996 CZ ARG A 76 65.700 33.255-139.001 1.00 2.03 C ATOM 997 NH1 ARG A 76 66.462 32.275-139.404 1.00 2.34 N ATOM 998 NH2 ARG A 76 66.068 34.491-139.199 1.00 3.14 N ATOM 0 H ARG A 76 59.349 32.499-138.429 1.00 0.28 H new ATOM 0 HA ARG A 76 60.513 30.975-136.430 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.499 31.582-138.681 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.898 33.165-138.044 1.00 0.35 H new ATOM 0 HG2 ARG A 76 63.297 32.127-136.263 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.847 30.526-136.814 1.00 0.66 H new ATOM 0 HD2 ARG A 76 64.996 30.997-137.823 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.818 31.141-139.112 1.00 1.00 H new ATOM 0 HE ARG A 76 63.974 33.765-138.087 1.00 1.51 H new ATOM 0 HH11 ARG A 76 66.174 31.309-139.250 1.00 2.34 H new ATOM 0 HH12 ARG A 76 67.345 32.475-139.873 1.00 2.34 H new ATOM 0 HH21 ARG A 76 65.472 35.257-138.885 1.00 3.14 H new ATOM 0 HH22 ARG A 76 66.951 34.691-139.668 1.00 3.14 H new ATOM 1012 N LEU A 77 60.529 34.164-135.649 1.00 0.30 N ATOM 1013 CA LEU A 77 60.761 35.049-134.475 1.00 0.31 C ATOM 1014 C LEU A 77 59.810 34.629-133.354 1.00 0.29 C ATOM 1015 O LEU A 77 60.222 34.259-132.275 1.00 0.30 O ATOM 1016 CB LEU A 77 60.498 36.500-134.866 1.00 0.35 C ATOM 1017 CG LEU A 77 61.729 37.053-135.584 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.365 38.353-136.294 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.836 37.323-134.560 1.00 0.38 C ATOM 0 H LEU A 77 60.112 34.611-136.465 1.00 0.30 H new ATOM 0 HA LEU A 77 61.793 34.960-134.136 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.624 36.563-135.514 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.280 37.095-133.979 1.00 0.35 H new ATOM 0 HG LEU A 77 62.079 36.326-136.317 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.243 38.746-136.806 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.577 38.162-137.022 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.015 39.081-135.563 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.715 37.717-135.070 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.485 38.050-133.828 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.097 36.394-134.053 1.00 0.38 H new ATOM 1031 N ILE A 78 58.538 34.676-133.618 1.00 0.29 N ATOM 1032 CA ILE A 78 57.531 34.273-132.600 1.00 0.32 C ATOM 1033 C ILE A 78 57.939 32.940-131.987 1.00 0.30 C ATOM 1034 O ILE A 78 57.912 32.765-130.792 1.00 0.32 O ATOM 1035 CB ILE A 78 56.174 34.125-133.268 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.730 35.490-133.774 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.156 33.595-132.256 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.769 35.306-134.938 1.00 0.37 C ATOM 0 H ILE A 78 58.146 34.981-134.509 1.00 0.29 H new ATOM 0 HA ILE A 78 57.475 35.032-131.820 1.00 0.32 H new ATOM 0 HB ILE A 78 56.243 33.424-134.100 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.246 36.048-132.972 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.595 36.072-134.090 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.184 33.490-132.738 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.484 32.624-131.885 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.074 34.293-131.423 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.449 36.282-135.303 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.269 34.764-135.741 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.899 34.740-134.606 1.00 0.37 H new ATOM 1050 N ARG A 79 58.324 31.997-132.801 1.00 0.29 N ATOM 1051 CA ARG A 79 58.748 30.677-132.247 1.00 0.32 C ATOM 1052 C ARG A 79 60.006 30.879-131.397 1.00 0.26 C ATOM 1053 O ARG A 79 60.180 30.249-130.375 1.00 0.26 O ATOM 1054 CB ARG A 79 59.048 29.708-133.393 1.00 0.38 C ATOM 1055 CG ARG A 79 60.034 28.641-132.914 1.00 0.39 C ATOM 1056 CD ARG A 79 60.006 27.451-133.875 1.00 0.39 C ATOM 1057 NE ARG A 79 61.081 26.488-133.505 1.00 1.50 N ATOM 1058 CZ ARG A 79 61.064 25.275-133.986 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.105 24.906-134.790 1.00 2.28 N ATOM 1060 NH2 ARG A 79 62.005 24.431-133.662 1.00 3.27 N ATOM 0 H ARG A 79 58.364 32.080-133.817 1.00 0.29 H new ATOM 0 HA ARG A 79 57.950 30.260-131.632 1.00 0.32 H new ATOM 0 HB2 ARG A 79 58.126 29.238-133.737 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.466 30.250-134.242 1.00 0.38 H new ATOM 0 HG2 ARG A 79 61.040 29.057-132.863 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.773 28.315-131.907 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.034 26.960-133.835 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.147 27.794-134.900 1.00 0.39 H new ATOM 0 HE ARG A 79 61.830 26.777-132.876 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.369 25.566-135.042 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.091 23.958-135.166 1.00 2.28 H new ATOM 0 HH21 ARG A 79 62.754 24.719-133.033 1.00 3.27 H new ATOM 0 HH22 ARG A 79 61.991 23.483-134.038 1.00 3.27 H new ATOM 1074 N ASN A 80 60.880 31.762-131.804 1.00 0.23 N ATOM 1075 CA ASN A 80 62.116 32.008-131.002 1.00 0.21 C ATOM 1076 C ASN A 80 61.738 32.762-129.732 1.00 0.21 C ATOM 1077 O ASN A 80 62.399 32.659-128.716 1.00 0.22 O ATOM 1078 CB ASN A 80 63.108 32.835-131.820 1.00 0.23 C ATOM 1079 CG ASN A 80 63.870 31.918-132.779 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.929 30.722-132.576 1.00 1.06 O ATOM 1081 ND2 ASN A 80 64.459 32.433-133.824 1.00 1.15 N ATOM 0 H ASN A 80 60.793 32.321-132.653 1.00 0.23 H new ATOM 0 HA ASN A 80 62.581 31.058-130.741 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.579 33.606-132.381 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.806 33.345-131.156 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.969 31.831-134.470 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.409 33.437-133.994 1.00 1.15 H new ATOM 1088 N LEU A 81 60.640 33.462-129.756 1.00 0.23 N ATOM 1089 CA LEU A 81 60.186 34.156-128.525 1.00 0.28 C ATOM 1090 C LEU A 81 59.551 33.078-127.669 1.00 0.30 C ATOM 1091 O LEU A 81 59.886 32.881-126.519 1.00 0.31 O ATOM 1092 CB LEU A 81 59.154 35.231-128.874 1.00 0.35 C ATOM 1093 CG LEU A 81 59.870 36.480-129.389 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.847 37.440-129.999 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.588 37.170-128.229 1.00 1.26 C ATOM 0 H LEU A 81 60.040 33.582-130.572 1.00 0.23 H new ATOM 0 HA LEU A 81 61.008 34.653-128.010 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.465 34.856-129.631 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.559 35.477-127.995 1.00 0.35 H new ATOM 0 HG LEU A 81 60.598 36.194-130.149 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.357 38.330-130.366 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.335 36.948-130.826 1.00 1.28 H new ATOM 0 HD13 LEU A 81 58.119 37.726-129.240 1.00 1.28 H new ATOM 0 HD21 LEU A 81 61.099 38.061-128.595 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.861 37.456-127.469 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.317 36.486-127.794 1.00 1.26 H new ATOM 1107 N ASN A 82 58.659 32.347-128.266 1.00 0.35 N ATOM 1108 CA ASN A 82 57.998 31.228-127.566 1.00 0.42 C ATOM 1109 C ASN A 82 59.074 30.380-126.901 1.00 0.37 C ATOM 1110 O ASN A 82 59.106 30.238-125.696 1.00 0.38 O ATOM 1111 CB ASN A 82 57.233 30.404-128.608 1.00 0.51 C ATOM 1112 CG ASN A 82 55.827 30.978-128.784 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.664 32.166-128.982 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.797 30.180-128.721 1.00 0.98 N ATOM 0 H ASN A 82 58.357 32.484-129.230 1.00 0.35 H new ATOM 0 HA ASN A 82 57.303 31.585-126.806 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.764 30.419-129.560 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.175 29.363-128.291 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.855 30.553-128.838 1.00 0.98 H new ATOM 0 HD22 ASN A 82 54.934 29.183-128.555 1.00 0.98 H new ATOM 1121 N VAL A 83 59.970 29.832-127.669 1.00 0.35 N ATOM 1122 CA VAL A 83 61.055 29.016-127.066 1.00 0.36 C ATOM 1123 C VAL A 83 61.712 29.834-125.956 1.00 0.32 C ATOM 1124 O VAL A 83 61.835 29.389-124.838 1.00 0.35 O ATOM 1125 CB VAL A 83 62.095 28.675-128.136 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.035 27.589-127.608 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.386 28.168-129.394 1.00 0.44 C ATOM 0 H VAL A 83 59.998 29.914-128.685 1.00 0.35 H new ATOM 0 HA VAL A 83 60.648 28.090-126.660 1.00 0.36 H new ATOM 0 HB VAL A 83 62.672 29.568-128.378 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.775 27.347-128.370 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.541 27.950-126.712 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.459 26.696-127.365 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.126 27.925-130.156 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.809 27.276-129.152 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.717 28.942-129.771 1.00 0.44 H new ATOM 1137 N ILE A 84 62.132 31.032-126.260 1.00 0.27 N ATOM 1138 CA ILE A 84 62.772 31.861-125.206 1.00 0.30 C ATOM 1139 C ILE A 84 61.940 31.750-123.930 1.00 0.31 C ATOM 1140 O ILE A 84 62.441 31.429-122.869 1.00 0.37 O ATOM 1141 CB ILE A 84 62.829 33.317-125.640 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.986 33.498-126.619 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.059 34.200-124.411 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.727 34.733-127.469 1.00 0.37 C ATOM 0 H ILE A 84 62.060 31.466-127.180 1.00 0.27 H new ATOM 0 HA ILE A 84 63.788 31.507-125.033 1.00 0.30 H new ATOM 0 HB ILE A 84 61.892 33.599-126.121 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.925 33.605-126.076 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.083 32.617-127.254 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.101 35.245-124.717 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.241 34.061-123.705 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.000 33.923-123.935 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.549 34.870-128.172 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.795 34.606-128.021 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.651 35.609-126.825 1.00 0.37 H new ATOM 1156 N LEU A 85 60.664 32.016-124.028 1.00 0.35 N ATOM 1157 CA LEU A 85 59.793 31.930-122.823 1.00 0.42 C ATOM 1158 C LEU A 85 59.816 30.501-122.287 1.00 0.42 C ATOM 1159 O LEU A 85 60.188 30.259-121.162 1.00 0.47 O ATOM 1160 CB LEU A 85 58.361 32.313-123.200 1.00 0.54 C ATOM 1161 CG LEU A 85 58.194 33.829-123.087 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.110 34.223-121.611 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.399 34.522-123.728 1.00 0.61 C ATOM 0 H LEU A 85 60.190 32.288-124.889 1.00 0.35 H new ATOM 0 HA LEU A 85 60.159 32.613-122.057 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.141 31.987-124.217 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.653 31.808-122.543 1.00 0.54 H new ATOM 0 HG LEU A 85 57.281 34.134-123.599 1.00 0.61 H new ATOM 0 HD11 LEU A 85 57.991 35.303-121.529 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.255 33.728-121.150 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.024 33.919-121.101 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.282 35.603-123.649 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.310 34.217-123.214 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.464 34.240-124.779 1.00 0.61 H new ATOM 1175 N ALA A 86 59.434 29.553-123.088 1.00 0.47 N ATOM 1176 CA ALA A 86 59.446 28.136-122.632 1.00 0.58 C ATOM 1177 C ALA A 86 60.826 27.808-122.056 1.00 0.59 C ATOM 1178 O ALA A 86 61.011 26.822-121.370 1.00 0.73 O ATOM 1179 CB ALA A 86 59.166 27.226-123.827 1.00 0.64 C ATOM 0 H ALA A 86 59.112 29.697-124.045 1.00 0.47 H new ATOM 0 HA ALA A 86 58.684 27.984-121.868 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.173 26.186-123.502 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.190 27.468-124.248 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.935 27.374-124.585 1.00 0.64 H new ATOM 1185 N LYS A 87 61.799 28.620-122.359 1.00 0.50 N ATOM 1186 CA LYS A 87 63.182 28.367-121.871 1.00 0.60 C ATOM 1187 C LYS A 87 63.360 28.913-120.461 1.00 0.58 C ATOM 1188 O LYS A 87 63.859 28.237-119.582 1.00 0.71 O ATOM 1189 CB LYS A 87 64.163 29.074-122.799 1.00 0.61 C ATOM 1190 CG LYS A 87 65.526 28.382-122.734 1.00 0.82 C ATOM 1191 CD LYS A 87 66.578 29.261-123.413 1.00 0.99 C ATOM 1192 CE LYS A 87 67.966 28.658-123.194 1.00 1.63 C ATOM 1193 NZ LYS A 87 69.004 29.606-123.688 1.00 2.02 N ATOM 0 H LYS A 87 61.693 29.458-122.931 1.00 0.50 H new ATOM 0 HA LYS A 87 63.365 27.292-121.860 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.786 29.060-123.822 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.262 30.120-122.510 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.804 28.200-121.696 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.476 27.410-123.226 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.368 29.339-124.480 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.541 30.271-123.006 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.121 28.452-122.135 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.048 27.707-123.720 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.948 29.196-123.539 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.859 29.782-124.703 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.930 30.503-123.167 1.00 2.02 H new ATOM 1207 N TYR A 88 62.960 30.128-120.231 1.00 0.45 N ATOM 1208 CA TYR A 88 63.115 30.705-118.869 1.00 0.47 C ATOM 1209 C TYR A 88 61.939 30.266-118.008 1.00 0.54 C ATOM 1210 O TYR A 88 61.982 30.310-116.795 1.00 0.58 O ATOM 1211 CB TYR A 88 63.154 32.230-118.962 1.00 0.44 C ATOM 1212 CG TYR A 88 64.492 32.656-119.516 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.632 32.597-118.707 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.593 33.101-120.839 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.875 32.986-119.221 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.836 33.488-121.354 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.977 33.431-120.544 1.00 0.61 C ATOM 1218 OH TYR A 88 68.203 33.813-121.051 1.00 0.73 O ATOM 0 H TYR A 88 62.534 30.745-120.922 1.00 0.45 H new ATOM 0 HA TYR A 88 64.044 30.354-118.420 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.350 32.588-119.604 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.997 32.671-117.978 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.553 32.252-117.687 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.712 33.146-121.463 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.755 32.943-118.597 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.915 33.830-122.375 1.00 0.62 H new ATOM 0 HH TYR A 88 68.195 33.727-122.027 1.00 0.73 H new ATOM 1228 N GLY A 89 60.879 29.872-118.640 1.00 0.59 N ATOM 1229 CA GLY A 89 59.675 29.459-117.869 1.00 0.69 C ATOM 1230 C GLY A 89 58.890 30.719-117.519 1.00 0.77 C ATOM 1231 O GLY A 89 58.424 30.894-116.411 1.00 1.09 O ATOM 0 H GLY A 89 60.789 29.816-119.655 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.060 28.777-118.457 1.00 0.69 H new ATOM 0 HA3 GLY A 89 59.966 28.926-116.964 1.00 0.69 H new ATOM 1235 N LEU A 90 58.740 31.595-118.471 1.00 0.65 N ATOM 1236 CA LEU A 90 57.982 32.853-118.229 1.00 0.75 C ATOM 1237 C LEU A 90 56.751 32.882-119.139 1.00 0.80 C ATOM 1238 O LEU A 90 56.058 33.877-119.230 1.00 1.31 O ATOM 1239 CB LEU A 90 58.879 34.048-118.549 1.00 0.82 C ATOM 1240 CG LEU A 90 59.158 34.833-117.272 1.00 1.03 C ATOM 1241 CD1 LEU A 90 60.440 35.645-117.448 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.986 35.777-117.000 1.00 1.68 C ATOM 0 H LEU A 90 59.113 31.493-119.415 1.00 0.65 H new ATOM 0 HA LEU A 90 57.667 32.901-117.187 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.815 33.705-118.989 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.397 34.691-119.285 1.00 0.82 H new ATOM 0 HG LEU A 90 59.277 34.147-116.433 1.00 1.03 H new ATOM 0 HD11 LEU A 90 60.642 36.208-116.537 1.00 1.50 H new ATOM 0 HD12 LEU A 90 61.272 34.971-117.651 1.00 1.50 H new ATOM 0 HD13 LEU A 90 60.321 36.336-118.282 1.00 1.50 H new ATOM 0 HD21 LEU A 90 58.178 36.342-116.088 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.872 36.466-117.837 1.00 1.68 H new ATOM 0 HD23 LEU A 90 57.071 35.196-116.881 1.00 1.68 H new ATOM 1254 N ASP A 91 56.479 31.801-119.815 1.00 0.77 N ATOM 1255 CA ASP A 91 55.299 31.764-120.725 1.00 0.87 C ATOM 1256 C ASP A 91 54.040 32.177-119.960 1.00 1.30 C ATOM 1257 O ASP A 91 52.973 32.298-120.527 1.00 1.70 O ATOM 1258 CB ASP A 91 55.120 30.344-121.268 1.00 1.04 C ATOM 1259 CG ASP A 91 56.468 29.809-121.754 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.235 29.352-120.924 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.710 29.867-122.948 1.00 0.84 O ATOM 0 H ASP A 91 57.024 30.939-119.777 1.00 0.77 H new ATOM 0 HA ASP A 91 55.461 32.456-121.551 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.718 29.694-120.491 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.401 30.345-122.087 1.00 1.04 H new ATOM 1266 N GLY A 92 54.151 32.396-118.678 1.00 1.77 N ATOM 1267 CA GLY A 92 52.954 32.799-117.888 1.00 2.22 C ATOM 1268 C GLY A 92 52.515 34.205-118.301 1.00 2.72 C ATOM 1269 O GLY A 92 52.311 35.071-117.474 1.00 3.30 O ATOM 0 H GLY A 92 55.017 32.313-118.145 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.142 32.091-118.053 1.00 2.22 H new ATOM 0 HA3 GLY A 92 53.185 32.777-116.823 1.00 2.22 H new ATOM 1273 N LYS A 93 52.365 34.439-119.576 1.00 3.13 N ATOM 1274 CA LYS A 93 51.935 35.790-120.039 1.00 3.96 C ATOM 1275 C LYS A 93 50.486 36.033-119.616 1.00 4.22 C ATOM 1276 O LYS A 93 49.904 37.056-119.917 1.00 4.63 O ATOM 1277 CB LYS A 93 52.043 35.864-121.564 1.00 4.60 C ATOM 1278 CG LYS A 93 51.659 37.268-122.035 1.00 4.79 C ATOM 1279 CD LYS A 93 52.277 37.531-123.411 1.00 5.91 C ATOM 1280 CE LYS A 93 52.065 36.311-124.308 1.00 6.60 C ATOM 1281 NZ LYS A 93 50.702 35.754-124.076 1.00 6.86 N ATOM 0 H LYS A 93 52.521 33.755-120.316 1.00 3.13 H new ATOM 0 HA LYS A 93 52.576 36.551-119.593 1.00 3.96 H new ATOM 0 HB2 LYS A 93 53.060 35.628-121.879 1.00 4.60 H new ATOM 0 HB3 LYS A 93 51.388 35.123-122.022 1.00 4.60 H new ATOM 0 HG2 LYS A 93 50.574 37.362-122.088 1.00 4.79 H new ATOM 0 HG3 LYS A 93 52.009 38.012-121.319 1.00 4.79 H new ATOM 0 HD2 LYS A 93 51.821 38.412-123.864 1.00 5.91 H new ATOM 0 HD3 LYS A 93 53.342 37.740-123.309 1.00 5.91 H new ATOM 0 HE2 LYS A 93 52.181 36.591-125.355 1.00 6.60 H new ATOM 0 HE3 LYS A 93 52.820 35.554-124.095 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 50.776 34.874-123.527 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 50.130 36.444-123.548 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 50.248 35.555-124.990 1.00 6.86 H new ATOM 1295 N LYS A 94 49.900 35.095-118.923 1.00 4.52 N ATOM 1296 CA LYS A 94 48.486 35.264-118.479 1.00 5.25 C ATOM 1297 C LYS A 94 48.354 36.554-117.666 1.00 5.64 C ATOM 1298 O LYS A 94 48.109 36.526-116.476 1.00 6.30 O ATOM 1299 CB LYS A 94 48.079 34.071-117.611 1.00 6.00 C ATOM 1300 CG LYS A 94 48.455 32.770-118.324 1.00 6.18 C ATOM 1301 CD LYS A 94 47.899 31.580-117.541 1.00 7.02 C ATOM 1302 CE LYS A 94 48.699 31.398-116.250 1.00 7.55 C ATOM 1303 NZ LYS A 94 48.555 29.995-115.768 1.00 7.75 N ATOM 0 H LYS A 94 50.340 34.218-118.645 1.00 4.52 H new ATOM 0 HA LYS A 94 47.836 35.318-119.352 1.00 5.25 H new ATOM 0 HB2 LYS A 94 48.577 34.125-116.643 1.00 6.00 H new ATOM 0 HB3 LYS A 94 47.006 34.096-117.419 1.00 6.00 H new ATOM 0 HG2 LYS A 94 48.056 32.770-119.338 1.00 6.18 H new ATOM 0 HG3 LYS A 94 49.539 32.689-118.408 1.00 6.18 H new ATOM 0 HD2 LYS A 94 46.847 31.744-117.309 1.00 7.02 H new ATOM 0 HD3 LYS A 94 47.955 30.675-118.146 1.00 7.02 H new ATOM 0 HE2 LYS A 94 49.750 31.627-116.426 1.00 7.55 H new ATOM 0 HE3 LYS A 94 48.344 32.093-115.489 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 49.099 29.872-114.890 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 47.552 29.792-115.585 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 48.914 29.341-116.492 1.00 7.75 H new ATOM 1317 N ASP A 95 48.513 37.683-118.299 1.00 5.55 N ATOM 1318 CA ASP A 95 48.394 38.973-117.562 1.00 6.18 C ATOM 1319 C ASP A 95 46.975 39.115-117.009 1.00 6.72 C ATOM 1320 O ASP A 95 46.771 39.216-115.815 1.00 7.02 O ATOM 1321 CB ASP A 95 48.689 40.134-118.514 1.00 6.12 C ATOM 1322 CG ASP A 95 49.014 41.390-117.704 1.00 6.05 C ATOM 1323 OD1 ASP A 95 50.157 41.531-117.299 1.00 6.22 O ATOM 1324 OD2 ASP A 95 48.117 42.190-117.502 1.00 6.23 O ATOM 0 H ASP A 95 48.720 37.769-119.294 1.00 5.55 H new ATOM 0 HA ASP A 95 49.108 38.988-116.739 1.00 6.18 H new ATOM 0 HB2 ASP A 95 49.527 39.881-119.164 1.00 6.12 H new ATOM 0 HB3 ASP A 95 47.829 40.317-119.159 1.00 6.12 H new ATOM 1329 N ALA A 96 45.993 39.122-117.867 1.00 7.12 N ATOM 1330 CA ALA A 96 44.588 39.255-117.391 1.00 7.86 C ATOM 1331 C ALA A 96 43.638 38.682-118.445 1.00 8.30 C ATOM 1332 O ALA A 96 43.896 38.753-119.630 1.00 8.93 O ATOM 1333 CB ALA A 96 44.264 40.733-117.161 1.00 8.22 C ATOM 0 H ALA A 96 46.103 39.041-118.878 1.00 7.12 H new ATOM 0 HA ALA A 96 44.467 38.708-116.456 1.00 7.86 H new ATOM 0 HB1 ALA A 96 43.236 40.830-116.813 1.00 8.22 H new ATOM 0 HB2 ALA A 96 44.941 41.142-116.411 1.00 8.22 H new ATOM 0 HB3 ALA A 96 44.384 41.281-118.095 1.00 8.22 H new ATOM 1339 N ARG A 97 42.541 38.116-118.024 1.00 8.23 N ATOM 1340 CA ARG A 97 41.578 37.540-119.005 1.00 8.95 C ATOM 1341 C ARG A 97 42.308 36.554-119.919 1.00 9.53 C ATOM 1342 O ARG A 97 42.599 36.851-121.060 1.00 9.76 O ATOM 1343 CB ARG A 97 40.974 38.665-119.847 1.00 8.85 C ATOM 1344 CG ARG A 97 39.912 38.088-120.785 1.00 8.58 C ATOM 1345 CD ARG A 97 39.414 39.184-121.729 1.00 8.65 C ATOM 1346 NE ARG A 97 40.581 39.856-122.368 1.00 9.34 N ATOM 1347 CZ ARG A 97 40.405 40.610-123.419 1.00 9.46 C ATOM 1348 NH1 ARG A 97 39.207 40.777-123.909 1.00 9.01 N ATOM 1349 NH2 ARG A 97 41.427 41.198-123.978 1.00 10.30 N ATOM 0 H ARG A 97 42.270 38.027-117.045 1.00 8.23 H new ATOM 0 HA ARG A 97 40.783 37.019-118.471 1.00 8.95 H new ATOM 0 HB2 ARG A 97 40.530 39.420-119.199 1.00 8.85 H new ATOM 0 HB3 ARG A 97 41.754 39.160-120.425 1.00 8.85 H new ATOM 0 HG2 ARG A 97 40.330 37.261-121.359 1.00 8.58 H new ATOM 0 HG3 ARG A 97 39.080 37.686-120.206 1.00 8.58 H new ATOM 0 HD2 ARG A 97 38.765 38.754-122.492 1.00 8.65 H new ATOM 0 HD3 ARG A 97 38.819 39.912-121.177 1.00 8.65 H new ATOM 0 HE ARG A 97 41.517 39.727-121.984 1.00 9.34 H new ATOM 0 HH11 ARG A 97 38.408 40.318-123.471 1.00 9.01 H new ATOM 0 HH12 ARG A 97 39.069 41.366-124.730 1.00 9.01 H new ATOM 0 HH21 ARG A 97 42.363 41.068-123.594 1.00 10.30 H new ATOM 0 HH22 ARG A 97 41.290 41.787-124.799 1.00 10.30 H new ATOM 1363 N GLN A 98 42.607 35.383-119.427 1.00 9.97 N ATOM 1364 CA GLN A 98 43.319 34.381-120.269 1.00 10.76 C ATOM 1365 C GLN A 98 42.692 34.349-121.663 1.00 10.99 C ATOM 1366 O GLN A 98 43.422 34.125-122.615 1.00 11.00 O ATOM 1367 CB GLN A 98 43.201 32.997-119.625 1.00 11.07 C ATOM 1368 CG GLN A 98 44.288 32.836-118.559 1.00 11.38 C ATOM 1369 CD GLN A 98 44.285 31.395-118.043 1.00 11.58 C ATOM 1370 OE1 GLN A 98 43.441 31.023-117.253 1.00 11.67 O ATOM 1371 NE2 GLN A 98 45.203 30.565-118.458 1.00 11.85 N ATOM 0 H GLN A 98 42.389 35.077-118.479 1.00 9.97 H new ATOM 0 HA GLN A 98 44.371 34.656-120.350 1.00 10.76 H new ATOM 0 HB2 GLN A 98 42.215 32.876-119.176 1.00 11.07 H new ATOM 0 HB3 GLN A 98 43.303 32.221-120.384 1.00 11.07 H new ATOM 0 HG2 GLN A 98 45.264 33.082-118.979 1.00 11.38 H new ATOM 0 HG3 GLN A 98 44.111 33.529-117.736 1.00 11.38 H new ATOM 0 HE21 GLN A 98 45.911 30.878-119.122 1.00 11.85 H new ATOM 0 HE22 GLN A 98 45.212 29.603-118.119 1.00 11.85 H new TER 1380 GLN A 98