USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -6.32! C(o=-12!,f=-13!) USER MOD Set 1.2: A 80 ASN : amide:sc= -5.57! C(o=-12!,f=-15!) USER MOD Set 2.1: A 22 MET CE :methyl -149:sc= -4.27! (180deg=-2.98!) USER MOD Set 2.2: A 24 LYS NZ :NH3+ 150:sc= -2.23 (180deg=-0.00979) USER MOD Single : A 26 ASN : amide:sc= -4.42! C(o=-4.4!,f=-14!) USER MOD Single : A 27 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.47) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0365 F(o=-1.5!,f=-0.036) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.485 F(o=-1.9,f=-0.48) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -3.76! C(o=-5.9!,f=-3.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.245 (180deg=-1.11) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -134:sc= -2.84! (180deg=-5.12!) USER MOD Single : A 82 ASN : amide:sc= -0.397 K(o=-0.4,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.115 (180deg=-0.697) USER MOD Single : A 88 TYR OH : rot 173:sc= -14! USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 19 63.367 49.863-123.702 1.00 0.57 N ATOM 24 CA GLU A 19 64.482 48.967-124.120 1.00 0.55 C ATOM 25 C GLU A 19 64.360 48.666-125.616 1.00 0.56 C ATOM 26 O GLU A 19 65.296 48.833-126.374 1.00 0.63 O ATOM 27 CB GLU A 19 64.422 47.664-123.314 1.00 0.45 C ATOM 28 CG GLU A 19 62.978 47.166-123.233 1.00 0.38 C ATOM 29 CD GLU A 19 62.130 48.170-122.450 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.705 48.954-121.713 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.919 48.137-122.598 1.00 2.06 O ATOM 0 HA GLU A 19 65.437 49.457-123.932 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.051 46.907-123.783 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.816 47.829-122.311 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.571 47.036-124.236 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.946 46.191-122.747 1.00 0.38 H new ATOM 38 N PHE A 20 63.212 48.229-126.044 1.00 0.51 N ATOM 39 CA PHE A 20 63.013 47.919-127.489 1.00 0.54 C ATOM 40 C PHE A 20 61.948 48.861-128.039 1.00 0.55 C ATOM 41 O PHE A 20 61.511 49.764-127.354 1.00 0.57 O ATOM 42 CB PHE A 20 62.544 46.475-127.624 1.00 0.52 C ATOM 43 CG PHE A 20 63.416 45.604-126.759 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.735 45.345-127.134 1.00 0.80 C ATOM 45 CD2 PHE A 20 62.904 45.065-125.577 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.545 44.540-126.326 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.713 44.261-124.765 1.00 0.51 C ATOM 48 CZ PHE A 20 65.035 43.997-125.140 1.00 0.56 C ATOM 0 H PHE A 20 62.396 48.071-125.453 1.00 0.51 H new ATOM 0 HA PHE A 20 63.943 48.049-128.043 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.501 46.386-127.321 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.602 46.154-128.664 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.130 45.766-128.047 1.00 0.80 H new ATOM 0 HD2 PHE A 20 61.883 45.268-125.289 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.565 44.337-126.617 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.317 43.845-123.850 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.661 43.376-124.516 1.00 0.56 H new ATOM 58 N ARG A 21 61.508 48.683-129.257 1.00 0.57 N ATOM 59 CA ARG A 21 60.467 49.595-129.804 1.00 0.60 C ATOM 60 C ARG A 21 59.241 48.754-130.144 1.00 0.57 C ATOM 61 O ARG A 21 58.311 49.201-130.785 1.00 0.59 O ATOM 62 CB ARG A 21 60.987 50.232-131.088 1.00 0.69 C ATOM 63 CG ARG A 21 62.417 50.737-130.880 1.00 0.74 C ATOM 64 CD ARG A 21 62.459 51.693-129.691 1.00 0.82 C ATOM 65 NE ARG A 21 63.275 52.895-130.038 1.00 1.35 N ATOM 66 CZ ARG A 21 64.381 52.773-130.723 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.820 51.592-131.062 1.00 2.06 N ATOM 68 NH2 ARG A 21 65.060 53.837-131.054 1.00 2.72 N ATOM 0 H ARG A 21 61.824 47.949-129.892 1.00 0.57 H new ATOM 0 HA ARG A 21 60.221 50.371-129.079 1.00 0.60 H new ATOM 0 HB2 ARG A 21 60.964 49.505-131.900 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.340 51.058-131.382 1.00 0.69 H new ATOM 0 HG2 ARG A 21 63.088 49.896-130.706 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.768 51.244-131.779 1.00 0.74 H new ATOM 0 HD2 ARG A 21 61.447 51.995-129.419 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.886 51.190-128.823 1.00 0.82 H new ATOM 0 HE ARG A 21 62.966 53.819-129.737 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.299 50.758-130.792 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.684 51.503-131.597 1.00 2.06 H new ATOM 0 HH21 ARG A 21 64.727 54.761-130.778 1.00 2.72 H new ATOM 0 HH22 ARG A 21 65.924 53.745-131.589 1.00 2.72 H new ATOM 82 N MET A 22 59.251 47.533-129.707 1.00 0.54 N ATOM 83 CA MET A 22 58.106 46.622-129.977 1.00 0.55 C ATOM 84 C MET A 22 57.323 46.410-128.688 1.00 0.49 C ATOM 85 O MET A 22 57.889 46.264-127.620 1.00 0.63 O ATOM 86 CB MET A 22 58.624 45.279-130.485 1.00 0.61 C ATOM 87 CG MET A 22 59.397 45.493-131.786 1.00 0.71 C ATOM 88 SD MET A 22 58.239 45.550-133.175 1.00 1.14 S ATOM 89 CE MET A 22 58.059 43.763-133.396 1.00 1.25 C ATOM 0 H MET A 22 60.011 47.119-129.167 1.00 0.54 H new ATOM 0 HA MET A 22 57.458 47.065-130.734 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.270 44.819-129.737 1.00 0.61 H new ATOM 0 HB3 MET A 22 57.792 44.595-130.652 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.966 46.421-131.735 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.116 44.687-131.931 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.872 43.543-134.447 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.974 43.263-133.078 1.00 1.25 H new ATOM 0 HE3 MET A 22 57.222 43.405-132.796 1.00 1.25 H new ATOM 99 N GLU A 23 56.026 46.401-128.769 1.00 0.47 N ATOM 100 CA GLU A 23 55.216 46.211-127.541 1.00 0.46 C ATOM 101 C GLU A 23 55.416 44.797-126.998 1.00 0.50 C ATOM 102 O GLU A 23 55.522 44.603-125.805 1.00 0.50 O ATOM 103 CB GLU A 23 53.736 46.439-127.855 1.00 0.50 C ATOM 104 CG GLU A 23 53.492 47.928-128.107 1.00 1.45 C ATOM 105 CD GLU A 23 53.801 48.256-129.570 1.00 2.02 C ATOM 106 OE1 GLU A 23 53.908 47.328-130.354 1.00 2.48 O ATOM 107 OE2 GLU A 23 53.925 49.430-129.879 1.00 2.68 O ATOM 0 H GLU A 23 55.493 46.517-129.631 1.00 0.47 H new ATOM 0 HA GLU A 23 55.538 46.931-126.789 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.445 45.859-128.731 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.120 46.094-127.025 1.00 0.50 H new ATOM 0 HG2 GLU A 23 52.457 48.182-127.877 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.121 48.527-127.448 1.00 1.45 H new ATOM 114 N LYS A 24 55.471 43.802-127.843 1.00 0.54 N ATOM 115 CA LYS A 24 55.665 42.421-127.330 1.00 0.59 C ATOM 116 C LYS A 24 56.919 42.373-126.464 1.00 0.53 C ATOM 117 O LYS A 24 56.886 41.936-125.331 1.00 0.55 O ATOM 118 CB LYS A 24 55.823 41.458-128.507 1.00 0.67 C ATOM 119 CG LYS A 24 56.863 42.013-129.482 1.00 0.64 C ATOM 120 CD LYS A 24 56.632 41.415-130.871 1.00 0.77 C ATOM 121 CE LYS A 24 57.978 41.203-131.567 1.00 1.46 C ATOM 122 NZ LYS A 24 57.753 40.966-133.021 1.00 2.09 N ATOM 0 H LYS A 24 55.391 43.887-128.856 1.00 0.54 H new ATOM 0 HA LYS A 24 54.800 42.129-126.735 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.132 40.476-128.149 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.867 41.326-129.014 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.792 43.100-129.526 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.868 41.773-129.134 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.101 40.467-130.786 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.004 42.080-131.465 1.00 0.77 H new ATOM 0 HE2 LYS A 24 58.615 42.076-131.424 1.00 1.46 H new ATOM 0 HE3 LYS A 24 58.498 40.353-131.125 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 58.571 41.316-133.560 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.635 39.947-133.192 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 56.896 41.470-133.326 1.00 2.09 H new ATOM 136 N LEU A 25 58.028 42.818-126.983 1.00 0.47 N ATOM 137 CA LEU A 25 59.286 42.799-126.191 1.00 0.42 C ATOM 138 C LEU A 25 59.119 43.655-124.937 1.00 0.39 C ATOM 139 O LEU A 25 59.302 43.197-123.834 1.00 0.55 O ATOM 140 CB LEU A 25 60.417 43.387-127.035 1.00 0.43 C ATOM 141 CG LEU A 25 60.969 42.332-127.991 1.00 0.57 C ATOM 142 CD1 LEU A 25 60.891 42.857-129.428 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.428 42.053-127.632 1.00 1.03 C ATOM 0 H LEU A 25 58.117 43.196-127.926 1.00 0.47 H new ATOM 0 HA LEU A 25 59.517 41.772-125.908 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.050 44.244-127.601 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.213 43.751-126.385 1.00 0.43 H new ATOM 0 HG LEU A 25 60.385 41.415-127.908 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.285 42.105-130.112 1.00 0.92 H new ATOM 0 HD12 LEU A 25 59.853 43.070-129.682 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.480 43.770-129.514 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.832 41.300-128.309 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.007 42.972-127.723 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.487 41.688-126.607 1.00 1.03 H new ATOM 155 N ASN A 26 58.771 44.899-125.104 1.00 0.39 N ATOM 156 CA ASN A 26 58.600 45.764-123.902 1.00 0.37 C ATOM 157 C ASN A 26 57.745 44.992-122.899 1.00 0.40 C ATOM 158 O ASN A 26 58.127 44.761-121.769 1.00 0.40 O ATOM 159 CB ASN A 26 57.896 47.069-124.271 1.00 0.41 C ATOM 160 CG ASN A 26 58.571 47.690-125.495 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.349 47.043-126.169 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.307 48.928-125.812 1.00 0.45 N ATOM 0 H ASN A 26 58.600 45.350-126.003 1.00 0.39 H new ATOM 0 HA ASN A 26 59.574 46.013-123.481 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.844 46.879-124.481 1.00 0.41 H new ATOM 0 HB3 ASN A 26 57.933 47.763-123.432 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.753 49.353-126.625 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.654 49.471-125.247 1.00 0.45 H new ATOM 169 N GLN A 27 56.586 44.601-123.329 1.00 0.44 N ATOM 170 CA GLN A 27 55.663 43.843-122.446 1.00 0.50 C ATOM 171 C GLN A 27 56.425 42.704-121.767 1.00 0.47 C ATOM 172 O GLN A 27 56.393 42.555-120.559 1.00 0.48 O ATOM 173 CB GLN A 27 54.518 43.265-123.280 1.00 0.59 C ATOM 174 CG GLN A 27 53.399 44.302-123.402 1.00 0.58 C ATOM 175 CD GLN A 27 52.808 44.582-122.020 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.271 43.695-121.385 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.885 45.785-121.521 1.00 2.02 N ATOM 0 H GLN A 27 56.231 44.776-124.269 1.00 0.44 H new ATOM 0 HA GLN A 27 55.258 44.511-121.686 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.880 42.987-124.270 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.137 42.357-122.813 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.788 45.223-123.836 1.00 0.58 H new ATOM 0 HG3 GLN A 27 52.622 43.937-124.074 1.00 0.58 H new ATOM 0 HE21 GLN A 27 53.335 46.530-122.053 1.00 2.02 H new ATOM 0 HE22 GLN A 27 52.495 45.981-120.599 1.00 2.02 H new ATOM 186 N LEU A 28 57.099 41.882-122.528 1.00 0.47 N ATOM 187 CA LEU A 28 57.841 40.736-121.924 1.00 0.47 C ATOM 188 C LEU A 28 58.944 41.233-120.989 1.00 0.39 C ATOM 189 O LEU A 28 59.083 40.754-119.881 1.00 0.50 O ATOM 190 CB LEU A 28 58.468 39.899-123.040 1.00 0.50 C ATOM 191 CG LEU A 28 57.390 39.038-123.701 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.885 38.558-125.066 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.091 37.828-122.812 1.00 1.21 C ATOM 0 H LEU A 28 57.168 41.955-123.543 1.00 0.47 H new ATOM 0 HA LEU A 28 57.140 40.133-121.346 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.932 40.551-123.780 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.256 39.265-122.634 1.00 0.50 H new ATOM 0 HG LEU A 28 56.483 39.628-123.832 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.117 37.945-125.537 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.100 39.419-125.699 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.792 37.968-124.937 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.323 37.213-123.281 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.999 37.239-122.682 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.738 38.170-121.839 1.00 1.21 H new ATOM 205 N TRP A 29 59.729 42.188-121.408 1.00 0.37 N ATOM 206 CA TRP A 29 60.813 42.711-120.536 1.00 0.30 C ATOM 207 C TRP A 29 60.197 43.158-119.214 1.00 0.36 C ATOM 208 O TRP A 29 60.509 42.640-118.154 1.00 0.39 O ATOM 209 CB TRP A 29 61.428 43.903-121.278 1.00 0.32 C ATOM 210 CG TRP A 29 62.608 44.461-120.560 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.813 45.778-120.366 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.753 43.775-119.973 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.001 45.954-119.694 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.618 44.752-119.423 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.123 42.423-119.857 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.804 44.402-118.786 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.318 42.069-119.215 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.155 43.058-118.680 1.00 0.41 C ATOM 0 H TRP A 29 59.663 42.630-122.325 1.00 0.37 H new ATOM 0 HA TRP A 29 61.576 41.962-120.323 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.727 43.591-122.279 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.675 44.682-121.398 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.151 46.569-120.686 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.379 46.864-119.429 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.484 41.654-120.264 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.448 45.166-118.377 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.595 41.028-119.132 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.073 42.778-118.185 1.00 0.41 H new ATOM 229 N GLU A 30 59.326 44.122-119.275 1.00 0.45 N ATOM 230 CA GLU A 30 58.683 44.607-118.030 1.00 0.56 C ATOM 231 C GLU A 30 58.270 43.383-117.213 1.00 0.50 C ATOM 232 O GLU A 30 58.479 43.315-116.018 1.00 0.52 O ATOM 233 CB GLU A 30 57.446 45.436-118.382 1.00 0.68 C ATOM 234 CG GLU A 30 57.856 46.891-118.619 1.00 0.86 C ATOM 235 CD GLU A 30 56.605 47.755-118.786 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.910 47.573-119.772 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.362 48.583-117.924 1.00 2.06 O ATOM 0 H GLU A 30 59.033 44.593-120.131 1.00 0.45 H new ATOM 0 HA GLU A 30 59.370 45.232-117.460 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.967 45.032-119.274 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.716 45.380-117.575 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.451 47.253-117.781 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.482 46.963-119.509 1.00 0.86 H new ATOM 244 N LYS A 31 57.693 42.409-117.863 1.00 0.46 N ATOM 245 CA LYS A 31 57.271 41.175-117.142 1.00 0.45 C ATOM 246 C LYS A 31 58.482 40.543-116.441 1.00 0.43 C ATOM 247 O LYS A 31 58.444 40.251-115.259 1.00 0.46 O ATOM 248 CB LYS A 31 56.688 40.177-118.146 1.00 0.44 C ATOM 249 CG LYS A 31 55.315 39.706-117.663 1.00 0.91 C ATOM 250 CD LYS A 31 54.828 38.559-118.549 1.00 0.99 C ATOM 251 CE LYS A 31 54.694 39.049-119.993 1.00 1.36 C ATOM 252 NZ LYS A 31 53.449 38.492-120.592 1.00 2.08 N ATOM 0 H LYS A 31 57.496 42.415-118.864 1.00 0.46 H new ATOM 0 HA LYS A 31 56.518 41.432-116.397 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.599 40.643-119.127 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.358 39.324-118.257 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.376 39.377-116.625 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.604 40.531-117.695 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.529 37.725-118.500 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.868 38.190-118.189 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.667 40.138-120.018 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.561 38.739-120.576 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.357 38.824-121.573 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.493 37.453-120.581 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.626 38.809-120.040 1.00 2.08 H new ATOM 266 N ALA A 32 59.558 40.320-117.153 1.00 0.41 N ATOM 267 CA ALA A 32 60.747 39.700-116.499 1.00 0.41 C ATOM 268 C ALA A 32 61.142 40.526-115.282 1.00 0.41 C ATOM 269 O ALA A 32 61.109 40.046-114.161 1.00 0.42 O ATOM 270 CB ALA A 32 61.927 39.641-117.469 1.00 0.42 C ATOM 0 H ALA A 32 59.663 40.537-118.144 1.00 0.41 H new ATOM 0 HA ALA A 32 60.488 38.685-116.197 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.784 39.186-116.972 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.653 39.045-118.339 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.187 40.650-117.788 1.00 0.42 H new ATOM 276 N GLN A 33 61.510 41.768-115.460 1.00 0.43 N ATOM 277 CA GLN A 33 61.889 42.575-114.275 1.00 0.47 C ATOM 278 C GLN A 33 60.829 42.371-113.202 1.00 0.49 C ATOM 279 O GLN A 33 61.120 42.320-112.023 1.00 0.53 O ATOM 280 CB GLN A 33 61.973 44.052-114.664 1.00 0.51 C ATOM 281 CG GLN A 33 63.147 44.259-115.629 1.00 0.53 C ATOM 282 CD GLN A 33 63.155 45.708-116.120 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.041 46.388-116.126 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 64.185 46.227-116.502 1.00 1.23 N flip ATOM 0 H GLN A 33 61.563 42.247-116.359 1.00 0.43 H new ATOM 0 HA GLN A 33 62.863 42.263-113.897 1.00 0.47 H new ATOM 0 HB2 GLN A 33 61.042 44.369-115.133 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.107 44.667-113.774 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.088 44.028-115.129 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.060 43.578-116.475 1.00 0.53 H new ATOM 0 HE21 GLN A 33 65.056 45.696-116.497 1.00 1.23 H new ATOM 0 HE22 GLN A 33 64.179 47.194-116.827 1.00 1.23 H new ATOM 293 N ARG A 34 59.596 42.227-113.603 1.00 0.49 N ATOM 294 CA ARG A 34 58.519 41.995-112.608 1.00 0.52 C ATOM 295 C ARG A 34 58.825 40.698-111.873 1.00 0.52 C ATOM 296 O ARG A 34 58.636 40.587-110.678 1.00 0.55 O ATOM 297 CB ARG A 34 57.174 41.879-113.320 1.00 0.56 C ATOM 298 CG ARG A 34 56.272 43.043-112.904 1.00 0.67 C ATOM 299 CD ARG A 34 55.998 42.964-111.402 1.00 1.59 C ATOM 300 NE ARG A 34 54.539 43.152-111.145 1.00 1.96 N ATOM 301 CZ ARG A 34 53.858 44.051-111.806 1.00 2.81 C ATOM 302 NH1 ARG A 34 54.459 44.838-112.657 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.575 44.174-111.603 1.00 3.58 N ATOM 0 H ARG A 34 59.291 42.260-114.576 1.00 0.49 H new ATOM 0 HA ARG A 34 58.470 42.826-111.904 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.321 41.887-114.400 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.699 40.930-113.070 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.749 43.992-113.148 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.334 43.006-113.458 1.00 0.67 H new ATOM 0 HD2 ARG A 34 56.324 41.999-111.014 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.571 43.729-110.878 1.00 1.59 H new ATOM 0 HE ARG A 34 54.070 42.574-110.448 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.464 44.753-112.808 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.923 45.538-113.170 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.105 43.569-110.929 1.00 3.58 H new ATOM 0 HH22 ARG A 34 52.042 44.875-112.118 1.00 3.58 H new ATOM 317 N LEU A 35 59.343 39.729-112.574 1.00 0.50 N ATOM 318 CA LEU A 35 59.713 38.458-111.902 1.00 0.54 C ATOM 319 C LEU A 35 60.993 38.729-111.126 1.00 0.55 C ATOM 320 O LEU A 35 61.416 37.959-110.286 1.00 0.61 O ATOM 321 CB LEU A 35 59.950 37.363-112.943 1.00 0.57 C ATOM 322 CG LEU A 35 58.621 36.683-113.275 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.832 37.555-114.252 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.895 35.319-113.912 1.00 0.84 C ATOM 0 H LEU A 35 59.524 39.763-113.577 1.00 0.50 H new ATOM 0 HA LEU A 35 58.917 38.119-111.238 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.387 37.791-113.845 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.661 36.630-112.561 1.00 0.57 H new ATOM 0 HG LEU A 35 58.041 36.548-112.362 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.885 37.071-114.489 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.639 38.527-113.798 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.409 37.690-115.167 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.949 34.832-114.150 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.474 35.454-114.826 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.458 34.698-113.215 1.00 0.84 H new ATOM 336 N HIS A 36 61.594 39.852-111.405 1.00 0.53 N ATOM 337 CA HIS A 36 62.847 40.250-110.695 1.00 0.58 C ATOM 338 C HIS A 36 63.962 39.225-110.925 1.00 0.49 C ATOM 339 O HIS A 36 64.454 38.607-110.002 1.00 1.37 O ATOM 340 CB HIS A 36 62.567 40.368-109.196 1.00 0.98 C ATOM 341 CG HIS A 36 62.056 41.748-108.887 1.00 1.43 C ATOM 342 ND1 HIS A 36 60.949 42.435-109.320 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.718 42.605-108.022 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.922 43.697-108.735 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.011 43.748-107.963 1.00 2.17 N flip ATOM 0 H HIS A 36 61.268 40.521-112.103 1.00 0.53 H new ATOM 0 HA HIS A 36 63.176 41.210-111.092 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.834 39.621-108.893 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.477 40.170-108.629 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.252 42.075-109.972 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.635 42.394-107.492 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.180 44.469-108.875 1.00 2.32 H new ATOM 353 N LEU A 37 64.345 39.030-112.152 1.00 0.59 N ATOM 354 CA LEU A 37 65.412 38.026-112.425 1.00 0.43 C ATOM 355 C LEU A 37 66.766 38.720-112.248 1.00 0.44 C ATOM 356 O LEU A 37 67.006 39.768-112.816 1.00 0.42 O ATOM 357 CB LEU A 37 65.322 37.510-113.863 1.00 0.53 C ATOM 358 CG LEU A 37 63.879 37.171-114.223 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.058 38.459-114.300 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.858 36.477-115.588 1.00 0.82 C ATOM 0 H LEU A 37 63.973 39.513-112.970 1.00 0.59 H new ATOM 0 HA LEU A 37 65.296 37.185-111.742 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.706 38.264-114.550 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.948 36.625-113.977 1.00 0.53 H new ATOM 0 HG LEU A 37 63.454 36.514-113.464 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.027 38.218-114.557 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.083 38.964-113.335 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.479 39.114-115.063 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.830 36.230-115.855 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.279 37.143-116.341 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.450 35.563-115.541 1.00 0.82 H new ATOM 372 N PRO A 38 67.644 38.155-111.451 1.00 0.57 N ATOM 373 CA PRO A 38 68.972 38.773-111.207 1.00 0.66 C ATOM 374 C PRO A 38 69.611 39.249-112.502 1.00 0.58 C ATOM 375 O PRO A 38 69.323 38.734-113.553 1.00 0.52 O ATOM 376 CB PRO A 38 69.762 37.613-110.602 1.00 0.81 C ATOM 377 CG PRO A 38 68.765 36.527-110.171 1.00 0.82 C ATOM 378 CD PRO A 38 67.387 36.868-110.756 1.00 0.69 C ATOM 0 HA PRO A 38 68.928 39.657-110.571 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.468 37.213-111.330 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.345 37.955-109.747 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.094 35.550-110.523 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.712 36.472-109.084 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.036 36.098-111.443 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.630 36.970-109.979 1.00 0.69 H new ATOM 386 N PRO A 39 70.471 40.222-112.433 1.00 0.62 N ATOM 387 CA PRO A 39 71.133 40.735-113.654 1.00 0.60 C ATOM 388 C PRO A 39 71.691 39.597-114.508 1.00 0.53 C ATOM 389 O PRO A 39 71.465 39.526-115.686 1.00 0.51 O ATOM 390 CB PRO A 39 72.252 41.603-113.078 1.00 0.74 C ATOM 391 CG PRO A 39 72.034 41.746-111.563 1.00 0.81 C ATOM 392 CD PRO A 39 70.849 40.865-111.151 1.00 0.74 C ATOM 0 HA PRO A 39 70.460 41.277-114.319 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.223 41.150-113.279 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.253 42.584-113.554 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.932 41.448-111.022 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.838 42.787-111.306 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.131 40.131-110.396 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.031 41.453-110.734 1.00 0.74 H new ATOM 400 N VAL A 40 72.449 38.735-113.910 1.00 0.52 N ATOM 401 CA VAL A 40 73.071 37.608-114.660 1.00 0.47 C ATOM 402 C VAL A 40 72.009 36.859-115.467 1.00 0.41 C ATOM 403 O VAL A 40 72.100 36.713-116.679 1.00 0.37 O ATOM 404 CB VAL A 40 73.726 36.650-113.658 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.689 35.663-113.119 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.855 35.881-114.346 1.00 0.50 C ATOM 0 H VAL A 40 72.672 38.759-112.915 1.00 0.52 H new ATOM 0 HA VAL A 40 73.820 38.000-115.349 1.00 0.47 H new ATOM 0 HB VAL A 40 74.132 37.228-112.828 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.165 34.987-112.408 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.890 36.211-112.620 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.272 35.086-113.945 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.319 35.201-113.632 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.450 35.310-115.181 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.602 36.584-114.716 1.00 0.50 H new ATOM 416 N ARG A 41 70.987 36.403-114.810 1.00 0.42 N ATOM 417 CA ARG A 41 69.911 35.675-115.529 1.00 0.40 C ATOM 418 C ARG A 41 69.112 36.681-116.339 1.00 0.34 C ATOM 419 O ARG A 41 68.451 36.342-117.304 1.00 0.30 O ATOM 420 CB ARG A 41 68.991 34.988-114.516 1.00 0.46 C ATOM 421 CG ARG A 41 69.225 33.477-114.549 1.00 0.87 C ATOM 422 CD ARG A 41 68.068 32.769-113.843 1.00 1.00 C ATOM 423 NE ARG A 41 68.604 31.770-112.871 1.00 1.53 N ATOM 424 CZ ARG A 41 69.628 31.019-113.184 1.00 2.18 C ATOM 425 NH1 ARG A 41 70.155 31.090-114.376 1.00 2.54 N ATOM 426 NH2 ARG A 41 70.113 30.183-112.307 1.00 3.12 N ATOM 0 H ARG A 41 70.849 36.502-113.804 1.00 0.42 H new ATOM 0 HA ARG A 41 70.343 34.920-116.186 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.184 35.374-113.515 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.949 35.210-114.748 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.302 33.132-115.580 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.168 33.233-114.060 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.446 33.498-113.324 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.432 32.272-114.576 1.00 1.00 H new ATOM 0 HE ARG A 41 68.167 31.672-111.954 1.00 1.53 H new ATOM 0 HH11 ARG A 41 69.768 31.733-115.067 1.00 2.54 H new ATOM 0 HH12 ARG A 41 70.954 30.503-114.616 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.693 30.116-111.380 1.00 3.12 H new ATOM 0 HH22 ARG A 41 70.912 29.596-112.549 1.00 3.12 H new ATOM 440 N LEU A 42 69.176 37.924-115.958 1.00 0.35 N ATOM 441 CA LEU A 42 68.424 38.950-116.714 1.00 0.30 C ATOM 442 C LEU A 42 69.236 39.332-117.941 1.00 0.31 C ATOM 443 O LEU A 42 68.703 39.793-118.920 1.00 0.49 O ATOM 444 CB LEU A 42 68.151 40.175-115.843 1.00 0.32 C ATOM 445 CG LEU A 42 66.909 40.894-116.378 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.645 40.184-115.904 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.887 42.332-115.854 1.00 0.60 C ATOM 0 H LEU A 42 69.713 38.269-115.162 1.00 0.35 H new ATOM 0 HA LEU A 42 67.458 38.548-117.020 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.996 39.874-114.807 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.010 40.846-115.855 1.00 0.32 H new ATOM 0 HG LEU A 42 66.944 40.889-117.467 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.769 40.704-116.291 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.647 39.156-116.268 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.615 40.183-114.814 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.003 42.844-116.234 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.860 42.322-114.764 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.782 42.855-116.190 1.00 0.60 H new ATOM 459 N ALA A 43 70.520 39.099-117.920 1.00 0.30 N ATOM 460 CA ALA A 43 71.343 39.392-119.111 1.00 0.30 C ATOM 461 C ALA A 43 71.094 38.228-120.046 1.00 0.29 C ATOM 462 O ALA A 43 71.081 38.350-121.246 1.00 0.28 O ATOM 463 CB ALA A 43 72.822 39.454-118.722 1.00 0.36 C ATOM 0 H ALA A 43 71.029 38.717-117.123 1.00 0.30 H new ATOM 0 HA ALA A 43 71.090 40.349-119.568 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.422 39.670-119.606 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.971 40.240-117.981 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.128 38.496-118.301 1.00 0.36 H new ATOM 469 N GLU A 44 70.869 37.087-119.469 1.00 0.30 N ATOM 470 CA GLU A 44 70.572 35.911-120.319 1.00 0.32 C ATOM 471 C GLU A 44 69.255 36.215-121.046 1.00 0.30 C ATOM 472 O GLU A 44 69.209 36.316-122.255 1.00 0.34 O ATOM 473 CB GLU A 44 70.422 34.658-119.455 1.00 0.37 C ATOM 474 CG GLU A 44 70.511 33.414-120.342 1.00 1.15 C ATOM 475 CD GLU A 44 71.942 32.875-120.325 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.595 33.013-119.303 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.362 32.334-121.335 1.00 2.80 O ATOM 0 H GLU A 44 70.877 36.919-118.463 1.00 0.30 H new ATOM 0 HA GLU A 44 71.378 35.727-121.029 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.202 34.632-118.694 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.466 34.677-118.931 1.00 0.37 H new ATOM 0 HG2 GLU A 44 69.820 32.650-119.986 1.00 1.15 H new ATOM 0 HG3 GLU A 44 70.216 33.660-121.362 1.00 1.15 H new ATOM 484 N LEU A 45 68.181 36.347-120.311 1.00 0.28 N ATOM 485 CA LEU A 45 66.850 36.630-120.945 1.00 0.29 C ATOM 486 C LEU A 45 66.840 38.018-121.611 1.00 0.24 C ATOM 487 O LEU A 45 66.214 38.216-122.634 1.00 0.25 O ATOM 488 CB LEU A 45 65.760 36.580-119.872 1.00 0.34 C ATOM 489 CG LEU A 45 64.399 36.883-120.502 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.674 35.572-120.813 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.559 37.709-119.526 1.00 0.77 C ATOM 0 H LEU A 45 68.165 36.271-119.294 1.00 0.28 H new ATOM 0 HA LEU A 45 66.664 35.876-121.710 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.743 35.596-119.403 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.977 37.304-119.086 1.00 0.34 H new ATOM 0 HG LEU A 45 64.544 37.444-121.425 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.705 35.790-121.262 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.271 34.982-121.508 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.529 35.009-119.891 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.589 37.926-119.974 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.415 37.147-118.603 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.073 38.644-119.305 1.00 0.77 H new ATOM 503 N HIS A 46 67.540 38.969-121.058 1.00 0.21 N ATOM 504 CA HIS A 46 67.572 40.324-121.692 1.00 0.20 C ATOM 505 C HIS A 46 68.430 40.249-122.955 1.00 0.19 C ATOM 506 O HIS A 46 68.035 40.675-124.022 1.00 0.21 O ATOM 507 CB HIS A 46 68.176 41.346-120.727 1.00 0.23 C ATOM 508 CG HIS A 46 68.134 42.714-121.355 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.110 43.613-121.530 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.260 43.311-121.902 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.591 44.749-122.173 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.890 44.515-122.375 1.00 0.31 N flip ATOM 0 H HIS A 46 68.088 38.872-120.203 1.00 0.21 H new ATOM 0 HA HIS A 46 66.557 40.635-121.940 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.622 41.348-119.788 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.205 41.074-120.489 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.145 43.469-121.234 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.252 42.887-121.941 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.033 45.631-122.450 1.00 0.35 H new ATOM 520 N ALA A 47 69.605 39.700-122.832 1.00 0.19 N ATOM 521 CA ALA A 47 70.517 39.571-124.002 1.00 0.22 C ATOM 522 C ALA A 47 69.799 38.816-125.114 1.00 0.21 C ATOM 523 O ALA A 47 69.619 39.316-126.205 1.00 0.22 O ATOM 524 CB ALA A 47 71.765 38.788-123.586 1.00 0.27 C ATOM 0 H ALA A 47 69.978 39.330-121.958 1.00 0.19 H new ATOM 0 HA ALA A 47 70.806 40.561-124.355 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.435 38.691-124.440 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.276 39.318-122.782 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.474 37.796-123.239 1.00 0.27 H new ATOM 530 N ASP A 48 69.374 37.617-124.840 1.00 0.22 N ATOM 531 CA ASP A 48 68.653 36.839-125.882 1.00 0.25 C ATOM 532 C ASP A 48 67.487 37.686-126.378 1.00 0.22 C ATOM 533 O ASP A 48 67.297 37.875-127.563 1.00 0.25 O ATOM 534 CB ASP A 48 68.127 35.534-125.279 1.00 0.28 C ATOM 535 CG ASP A 48 69.303 34.623-124.925 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.406 34.921-125.353 1.00 0.84 O ATOM 537 OD2 ASP A 48 69.081 33.643-124.234 1.00 0.94 O ATOM 0 H ASP A 48 69.494 37.144-123.944 1.00 0.22 H new ATOM 0 HA ASP A 48 69.322 36.596-126.707 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.536 35.745-124.388 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.467 35.034-125.988 1.00 0.28 H new ATOM 542 N LEU A 49 66.715 38.214-125.470 1.00 0.19 N ATOM 543 CA LEU A 49 65.573 39.066-125.884 1.00 0.19 C ATOM 544 C LEU A 49 66.085 40.105-126.883 1.00 0.18 C ATOM 545 O LEU A 49 65.404 40.463-127.823 1.00 0.19 O ATOM 546 CB LEU A 49 64.970 39.762-124.662 1.00 0.18 C ATOM 547 CG LEU A 49 63.887 38.867-124.054 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.253 39.572-122.855 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.809 38.582-125.104 1.00 0.89 C ATOM 0 H LEU A 49 66.827 38.092-124.464 1.00 0.19 H new ATOM 0 HA LEU A 49 64.798 38.455-126.347 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.747 39.965-123.925 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.544 40.723-124.950 1.00 0.18 H new ATOM 0 HG LEU A 49 64.336 37.929-123.728 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.482 38.934-122.423 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.018 39.774-122.106 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.806 40.511-123.180 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.038 37.945-124.670 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.362 39.521-125.431 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.258 38.077-125.959 1.00 0.89 H new ATOM 561 N LYS A 50 67.296 40.574-126.705 1.00 0.20 N ATOM 562 CA LYS A 50 67.844 41.564-127.672 1.00 0.21 C ATOM 563 C LYS A 50 68.110 40.837-128.987 1.00 0.23 C ATOM 564 O LYS A 50 67.598 41.192-130.023 1.00 0.24 O ATOM 565 CB LYS A 50 69.160 42.146-127.142 1.00 0.24 C ATOM 566 CG LYS A 50 68.893 42.991-125.894 1.00 0.36 C ATOM 567 CD LYS A 50 70.201 43.200-125.126 1.00 0.84 C ATOM 568 CE LYS A 50 70.763 44.587-125.449 1.00 1.09 C ATOM 569 NZ LYS A 50 72.042 44.789-124.714 1.00 1.84 N ATOM 0 H LYS A 50 67.919 40.315-125.940 1.00 0.20 H new ATOM 0 HA LYS A 50 67.134 42.379-127.815 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.854 41.340-126.904 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.633 42.757-127.911 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.469 43.954-126.178 1.00 0.36 H new ATOM 0 HG3 LYS A 50 68.161 42.495-125.257 1.00 0.36 H new ATOM 0 HD2 LYS A 50 70.025 43.107-124.054 1.00 0.84 H new ATOM 0 HD3 LYS A 50 70.923 42.430-125.399 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.929 44.683-126.522 1.00 1.09 H new ATOM 0 HE3 LYS A 50 70.044 45.357-125.168 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.424 45.731-124.934 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.870 44.715-123.691 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 72.727 44.062-125.003 1.00 1.84 H new ATOM 583 N ILE A 51 68.912 39.818-128.946 1.00 0.25 N ATOM 584 CA ILE A 51 69.201 39.082-130.205 1.00 0.27 C ATOM 585 C ILE A 51 67.869 38.918-130.936 1.00 0.26 C ATOM 586 O ILE A 51 67.671 39.425-132.037 1.00 0.25 O ATOM 587 CB ILE A 51 69.790 37.707-129.886 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.293 37.844-129.640 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.551 36.762-131.065 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.535 38.881-128.543 1.00 0.30 C ATOM 0 H ILE A 51 69.376 39.464-128.109 1.00 0.25 H new ATOM 0 HA ILE A 51 69.923 39.624-130.817 1.00 0.27 H new ATOM 0 HB ILE A 51 69.309 37.303-128.995 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.714 36.882-129.346 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.797 38.145-130.558 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.971 35.782-130.837 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.480 36.665-131.242 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.032 37.164-131.957 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.606 38.980-128.366 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.128 39.843-128.855 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.044 38.560-127.624 1.00 0.30 H new ATOM 602 N GLN A 52 66.928 38.258-130.320 1.00 0.26 N ATOM 603 CA GLN A 52 65.607 38.112-130.966 1.00 0.27 C ATOM 604 C GLN A 52 65.081 39.506-131.289 1.00 0.24 C ATOM 605 O GLN A 52 64.356 39.692-132.237 1.00 0.26 O ATOM 606 CB GLN A 52 64.643 37.403-130.011 1.00 0.32 C ATOM 607 CG GLN A 52 63.450 36.862-130.799 1.00 0.45 C ATOM 608 CD GLN A 52 63.938 35.819-131.805 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.478 34.799-131.426 1.00 1.00 O ATOM 610 NE2 GLN A 52 63.771 36.032-133.081 1.00 0.48 N ATOM 0 H GLN A 52 67.021 37.819-129.404 1.00 0.26 H new ATOM 0 HA GLN A 52 65.694 37.521-131.878 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.155 36.587-129.500 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.301 38.096-129.242 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.723 36.416-130.120 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.944 37.676-131.318 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.318 36.888-133.400 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.094 35.342-133.760 1.00 0.48 H new ATOM 619 N GLU A 53 65.443 40.495-130.507 1.00 0.23 N ATOM 620 CA GLU A 53 64.956 41.872-130.796 1.00 0.23 C ATOM 621 C GLU A 53 65.538 42.343-132.125 1.00 0.20 C ATOM 622 O GLU A 53 64.819 42.697-133.026 1.00 0.21 O ATOM 623 CB GLU A 53 65.391 42.838-129.697 1.00 0.25 C ATOM 624 CG GLU A 53 64.988 44.260-130.093 1.00 0.28 C ATOM 625 CD GLU A 53 66.221 45.167-130.046 1.00 0.33 C ATOM 626 OE1 GLU A 53 66.939 45.108-129.062 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.429 45.902-130.997 1.00 1.04 O ATOM 0 H GLU A 53 66.048 40.406-129.691 1.00 0.23 H new ATOM 0 HA GLU A 53 63.867 41.854-130.843 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.925 42.565-128.750 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.469 42.780-129.550 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.558 44.263-131.095 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.221 44.635-129.416 1.00 0.28 H new ATOM 634 N ARG A 54 66.833 42.337-132.271 1.00 0.22 N ATOM 635 CA ARG A 54 67.424 42.773-133.560 1.00 0.22 C ATOM 636 C ARG A 54 66.718 42.040-134.684 1.00 0.20 C ATOM 637 O ARG A 54 66.541 42.551-135.775 1.00 0.21 O ATOM 638 CB ARG A 54 68.902 42.401-133.580 1.00 0.24 C ATOM 639 CG ARG A 54 69.689 43.398-132.735 1.00 0.27 C ATOM 640 CD ARG A 54 70.619 44.214-133.635 1.00 0.85 C ATOM 641 NE ARG A 54 71.219 45.328-132.847 1.00 1.55 N ATOM 642 CZ ARG A 54 72.254 45.972-133.313 1.00 2.09 C ATOM 643 NH1 ARG A 54 72.763 45.642-134.469 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.780 46.947-132.623 1.00 3.03 N ATOM 0 H ARG A 54 67.502 42.050-131.557 1.00 0.22 H new ATOM 0 HA ARG A 54 67.313 43.851-133.681 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.039 41.392-133.192 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.274 42.402-134.604 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.005 44.061-132.206 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.270 42.870-131.979 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.405 43.575-134.039 1.00 0.85 H new ATOM 0 HD3 ARG A 54 70.064 44.612-134.484 1.00 0.85 H new ATOM 0 HE ARG A 54 70.821 45.587-131.944 1.00 1.55 H new ATOM 0 HH11 ARG A 54 72.352 44.880-135.009 1.00 2.40 H new ATOM 0 HH12 ARG A 54 73.572 46.146-134.833 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.382 47.205-131.720 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.589 47.451-132.987 1.00 3.03 H new ATOM 658 N ASP A 55 66.283 40.849-134.407 1.00 0.20 N ATOM 659 CA ASP A 55 65.556 40.067-135.446 1.00 0.21 C ATOM 660 C ASP A 55 64.091 40.526-135.511 1.00 0.21 C ATOM 661 O ASP A 55 63.497 40.610-136.573 1.00 0.20 O ATOM 662 CB ASP A 55 65.608 38.580-135.092 1.00 0.25 C ATOM 663 CG ASP A 55 67.045 38.073-135.218 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.850 38.776-135.806 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.317 36.991-134.725 1.00 0.94 O ATOM 0 H ASP A 55 66.397 40.380-133.508 1.00 0.20 H new ATOM 0 HA ASP A 55 66.028 40.229-136.415 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.245 38.425-134.076 1.00 0.25 H new ATOM 0 HB3 ASP A 55 64.953 38.015-135.755 1.00 0.25 H new ATOM 670 N GLU A 56 63.508 40.854-134.390 1.00 0.27 N ATOM 671 CA GLU A 56 62.095 41.316-134.401 1.00 0.32 C ATOM 672 C GLU A 56 62.036 42.706-135.009 1.00 0.30 C ATOM 673 O GLU A 56 61.262 42.968-135.903 1.00 0.31 O ATOM 674 CB GLU A 56 61.537 41.338-132.980 1.00 0.39 C ATOM 675 CG GLU A 56 61.535 39.919-132.407 1.00 0.44 C ATOM 676 CD GLU A 56 61.706 39.981-130.889 1.00 0.89 C ATOM 677 OE1 GLU A 56 62.839 39.963-130.438 1.00 1.72 O ATOM 678 OE2 GLU A 56 60.701 40.045-130.201 1.00 1.39 O ATOM 0 H GLU A 56 63.949 40.822-133.471 1.00 0.27 H new ATOM 0 HA GLU A 56 61.491 40.631-134.996 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.140 41.994-132.352 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.524 41.741-132.982 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.601 39.415-132.658 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.341 39.335-132.851 1.00 0.44 H new ATOM 685 N LEU A 57 62.873 43.595-134.568 1.00 0.30 N ATOM 686 CA LEU A 57 62.871 44.942-135.173 1.00 0.32 C ATOM 687 C LEU A 57 63.212 44.752-136.648 1.00 0.28 C ATOM 688 O LEU A 57 62.526 45.235-137.523 1.00 0.29 O ATOM 689 CB LEU A 57 63.921 45.832-134.499 1.00 0.36 C ATOM 690 CG LEU A 57 63.456 46.205-133.087 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.537 47.037-132.395 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.168 47.025-133.170 1.00 1.22 C ATOM 0 H LEU A 57 63.552 43.447-133.821 1.00 0.30 H new ATOM 0 HA LEU A 57 61.903 45.427-135.048 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.877 45.310-134.451 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.080 46.734-135.090 1.00 0.36 H new ATOM 0 HG LEU A 57 63.273 45.294-132.517 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.205 47.302-131.391 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.458 46.457-132.332 1.00 1.08 H new ATOM 0 HD13 LEU A 57 64.719 47.946-132.968 1.00 1.08 H new ATOM 0 HD21 LEU A 57 61.839 47.289-132.165 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.352 47.934-133.742 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.393 46.437-133.662 1.00 1.22 H new ATOM 704 N ALA A 58 64.247 44.004-136.937 1.00 0.25 N ATOM 705 CA ALA A 58 64.578 43.751-138.360 1.00 0.24 C ATOM 706 C ALA A 58 63.311 43.214-139.020 1.00 0.21 C ATOM 707 O ALA A 58 63.074 43.389-140.203 1.00 0.21 O ATOM 708 CB ALA A 58 65.698 42.712-138.459 1.00 0.24 C ATOM 0 H ALA A 58 64.866 43.566-136.255 1.00 0.25 H new ATOM 0 HA ALA A 58 64.919 44.663-138.850 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.935 42.532-139.507 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.585 43.083-137.945 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.372 41.781-137.995 1.00 0.24 H new ATOM 714 N TRP A 59 62.462 42.600-138.237 1.00 0.19 N ATOM 715 CA TRP A 59 61.190 42.101-138.815 1.00 0.18 C ATOM 716 C TRP A 59 60.249 43.284-139.030 1.00 0.20 C ATOM 717 O TRP A 59 59.826 43.549-140.140 1.00 0.30 O ATOM 718 CB TRP A 59 60.512 41.076-137.916 1.00 0.19 C ATOM 719 CG TRP A 59 59.311 40.580-138.647 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.323 39.597-139.575 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.933 41.042-138.557 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.047 39.435-140.071 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.149 40.298-139.469 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.294 42.025-137.780 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.779 40.521-139.607 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.914 42.250-137.914 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.158 41.500-138.826 1.00 0.39 C ATOM 0 H TRP A 59 62.595 42.427-137.241 1.00 0.19 H new ATOM 0 HA TRP A 59 61.420 41.608-139.760 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.191 40.254-137.688 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.226 41.526-136.965 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.191 39.031-139.878 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.796 38.761-140.794 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.868 42.610-137.076 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.202 39.941-140.312 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.432 43.005-137.311 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.097 41.678-138.925 1.00 0.39 H new ATOM 738 N LYS A 60 59.898 43.996-137.990 1.00 0.27 N ATOM 739 CA LYS A 60 58.973 45.140-138.195 1.00 0.30 C ATOM 740 C LYS A 60 59.432 45.855-139.461 1.00 0.29 C ATOM 741 O LYS A 60 58.637 46.344-140.243 1.00 0.31 O ATOM 742 CB LYS A 60 59.026 46.104-137.005 1.00 0.38 C ATOM 743 CG LYS A 60 60.181 47.091-137.190 1.00 0.42 C ATOM 744 CD LYS A 60 60.411 47.858-135.888 1.00 1.08 C ATOM 745 CE LYS A 60 59.333 48.932-135.730 1.00 1.53 C ATOM 746 NZ LYS A 60 59.577 49.699-134.476 1.00 2.27 N ATOM 0 H LYS A 60 60.206 43.837-137.030 1.00 0.27 H new ATOM 0 HA LYS A 60 57.945 44.788-138.285 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.083 46.645-136.921 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.157 45.546-136.078 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.088 46.557-137.475 1.00 0.42 H new ATOM 0 HG3 LYS A 60 59.953 47.786-137.998 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.384 47.173-135.041 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.399 48.318-135.894 1.00 1.08 H new ATOM 0 HE2 LYS A 60 59.345 49.604-136.588 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.346 48.470-135.701 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.845 50.429-134.368 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.544 49.053-133.662 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.513 50.151-134.522 1.00 2.27 H new ATOM 760 N LYS A 61 60.720 45.884-139.688 1.00 0.28 N ATOM 761 CA LYS A 61 61.240 46.532-140.915 1.00 0.30 C ATOM 762 C LYS A 61 61.033 45.583-142.094 1.00 0.27 C ATOM 763 O LYS A 61 60.831 46.016-143.210 1.00 0.35 O ATOM 764 CB LYS A 61 62.727 46.843-140.762 1.00 0.35 C ATOM 765 CG LYS A 61 62.976 47.508-139.407 1.00 0.40 C ATOM 766 CD LYS A 61 63.875 48.731-139.596 1.00 0.77 C ATOM 767 CE LYS A 61 64.201 49.341-138.233 1.00 1.42 C ATOM 768 NZ LYS A 61 64.544 48.255-137.271 1.00 2.43 N ATOM 0 H LYS A 61 61.429 45.485-139.073 1.00 0.28 H new ATOM 0 HA LYS A 61 60.707 47.467-141.086 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.311 45.926-140.841 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.056 47.500-141.567 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.029 47.806-138.957 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.446 46.800-138.724 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.794 48.444-140.107 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.377 49.468-140.226 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.035 50.037-138.324 1.00 1.42 H new ATOM 0 HE3 LYS A 61 63.348 49.912-137.865 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 65.080 48.654-136.474 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 63.670 47.817-136.916 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.122 47.536-137.751 1.00 2.43 H new ATOM 782 N LEU A 62 61.043 44.288-141.868 1.00 0.24 N ATOM 783 CA LEU A 62 60.799 43.349-142.998 1.00 0.24 C ATOM 784 C LEU A 62 59.369 43.556-143.475 1.00 0.24 C ATOM 785 O LEU A 62 59.117 43.947-144.597 1.00 0.26 O ATOM 786 CB LEU A 62 60.913 41.900-142.509 1.00 0.24 C ATOM 787 CG LEU A 62 62.361 41.412-142.580 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.614 40.410-141.451 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.598 40.717-143.920 1.00 0.41 C ATOM 0 H LEU A 62 61.208 43.851-140.961 1.00 0.24 H new ATOM 0 HA LEU A 62 61.526 43.534-143.789 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.551 41.829-141.483 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.278 41.256-143.117 1.00 0.24 H new ATOM 0 HG LEU A 62 63.035 42.263-142.480 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.645 40.060-141.499 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.439 40.893-140.490 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.938 39.562-141.559 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.630 40.369-143.972 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.923 39.866-144.013 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.411 41.419-144.732 1.00 0.41 H new ATOM 801 N LYS A 63 58.430 43.285-142.610 1.00 0.24 N ATOM 802 CA LYS A 63 57.005 43.449-142.983 1.00 0.26 C ATOM 803 C LYS A 63 56.769 44.884-143.449 1.00 0.29 C ATOM 804 O LYS A 63 55.972 45.130-144.332 1.00 0.30 O ATOM 805 CB LYS A 63 56.116 43.147-141.774 1.00 0.34 C ATOM 806 CG LYS A 63 56.585 43.966-140.572 1.00 0.46 C ATOM 807 CD LYS A 63 55.368 44.430-139.769 1.00 0.41 C ATOM 808 CE LYS A 63 54.813 45.719-140.379 1.00 0.58 C ATOM 809 NZ LYS A 63 53.338 45.591-140.553 1.00 1.20 N ATOM 0 H LYS A 63 58.594 42.956-141.658 1.00 0.24 H new ATOM 0 HA LYS A 63 56.758 42.758-143.789 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.078 43.385-142.005 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.155 42.083-141.539 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.243 43.366-139.943 1.00 0.46 H new ATOM 0 HG3 LYS A 63 57.163 44.827-140.908 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.601 43.655-139.771 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.648 44.599-138.729 1.00 0.41 H new ATOM 0 HE2 LYS A 63 55.042 46.567-139.734 1.00 0.58 H new ATOM 0 HE3 LYS A 63 55.288 45.913-141.341 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.960 46.467-140.968 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.131 44.791-141.185 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 52.892 45.425-139.628 1.00 1.20 H new ATOM 823 N LEU A 64 57.457 45.839-142.877 1.00 0.33 N ATOM 824 CA LEU A 64 57.269 47.251-143.306 1.00 0.43 C ATOM 825 C LEU A 64 57.793 47.434-144.729 1.00 0.52 C ATOM 826 O LEU A 64 57.121 47.976-145.585 1.00 0.75 O ATOM 827 CB LEU A 64 58.051 48.157-142.351 1.00 0.38 C ATOM 828 CG LEU A 64 57.172 48.518-141.151 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.981 49.359-140.162 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.960 49.319-141.629 1.00 1.23 C ATOM 0 H LEU A 64 58.140 45.699-142.132 1.00 0.33 H new ATOM 0 HA LEU A 64 56.210 47.508-143.285 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.956 47.652-142.013 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.366 49.063-142.869 1.00 0.38 H new ATOM 0 HG LEU A 64 56.834 47.605-140.661 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.356 49.617-139.307 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.845 48.789-139.821 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.319 50.272-140.652 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.334 49.576-140.775 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.298 50.232-142.119 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.383 48.720-142.334 1.00 1.23 H new ATOM 842 N ASP A 65 58.991 46.994-144.987 1.00 0.45 N ATOM 843 CA ASP A 65 59.567 47.147-146.352 1.00 0.60 C ATOM 844 C ASP A 65 58.953 46.108-147.292 1.00 0.96 C ATOM 845 O ASP A 65 59.158 46.145-148.488 1.00 0.98 O ATOM 846 CB ASP A 65 61.082 46.943-146.290 1.00 0.53 C ATOM 847 CG ASP A 65 61.721 48.100-145.519 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.030 49.074-145.269 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.891 47.992-145.190 1.00 1.14 O ATOM 0 H ASP A 65 59.599 46.533-144.310 1.00 0.45 H new ATOM 0 HA ASP A 65 59.346 48.147-146.726 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.313 45.996-145.803 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.494 46.892-147.298 1.00 0.53 H new ATOM 854 N GLY A 66 58.196 45.184-146.766 1.00 1.30 N ATOM 855 CA GLY A 66 57.570 44.152-147.638 1.00 1.72 C ATOM 856 C GLY A 66 58.608 43.093-148.016 1.00 0.91 C ATOM 857 O GLY A 66 58.862 42.849-149.178 1.00 1.14 O ATOM 0 H GLY A 66 57.985 45.100-145.772 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.732 43.685-147.120 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.168 44.618-148.538 1.00 1.72 H new ATOM 861 N LEU A 67 59.206 42.455-147.046 1.00 0.37 N ATOM 862 CA LEU A 67 60.217 41.408-147.364 1.00 1.03 C ATOM 863 C LEU A 67 59.624 40.029-147.073 1.00 0.91 C ATOM 864 O LEU A 67 59.767 39.108-147.852 1.00 1.09 O ATOM 865 CB LEU A 67 61.477 41.634-146.529 1.00 1.69 C ATOM 866 CG LEU A 67 62.399 42.608-147.270 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.430 43.187-146.300 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.122 41.866-148.396 1.00 2.68 C ATOM 0 H LEU A 67 59.039 42.613-146.052 1.00 0.37 H new ATOM 0 HA LEU A 67 60.486 41.465-148.419 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.213 42.036-145.551 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.989 40.687-146.357 1.00 1.69 H new ATOM 0 HG LEU A 67 61.803 43.419-147.688 1.00 1.79 H new ATOM 0 HD11 LEU A 67 64.083 43.879-146.833 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.917 43.717-145.498 1.00 2.52 H new ATOM 0 HD13 LEU A 67 64.026 42.378-145.877 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.778 42.557-148.924 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.714 41.054-147.975 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.389 41.458-149.092 1.00 2.68 H new ATOM 880 N ASP A 68 58.884 39.899-146.006 1.00 0.69 N ATOM 881 CA ASP A 68 58.187 38.617-145.705 1.00 0.59 C ATOM 882 C ASP A 68 56.706 38.919-145.899 1.00 0.59 C ATOM 883 O ASP A 68 56.129 39.626-145.097 1.00 0.59 O ATOM 884 CB ASP A 68 58.448 38.212-144.248 1.00 0.53 C ATOM 885 CG ASP A 68 58.263 36.701-144.100 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.386 36.009-145.098 1.00 1.19 O ATOM 887 OD2 ASP A 68 58.003 36.261-142.992 1.00 0.97 O ATOM 0 H ASP A 68 58.731 40.638-145.320 1.00 0.69 H new ATOM 0 HA ASP A 68 58.530 37.801-146.342 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.459 38.496-143.955 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.764 38.740-143.584 1.00 0.53 H new ATOM 892 N GLU A 69 56.063 38.472-146.944 1.00 0.63 N ATOM 893 CA GLU A 69 54.639 38.856-147.106 1.00 0.69 C ATOM 894 C GLU A 69 53.709 37.925-146.334 1.00 0.71 C ATOM 895 O GLU A 69 52.514 38.139-146.317 1.00 0.77 O ATOM 896 CB GLU A 69 54.275 38.810-148.591 1.00 0.73 C ATOM 897 CG GLU A 69 54.182 37.353-149.050 1.00 0.75 C ATOM 898 CD GLU A 69 53.909 37.307-150.555 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.748 37.361-150.928 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.864 37.220-151.308 1.00 1.82 O ATOM 0 H GLU A 69 56.452 37.874-147.673 1.00 0.63 H new ATOM 0 HA GLU A 69 54.513 39.863-146.708 1.00 0.69 H new ATOM 0 HB2 GLU A 69 53.325 39.316-148.759 1.00 0.73 H new ATOM 0 HB3 GLU A 69 55.026 39.340-149.177 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.110 36.829-148.822 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.386 36.841-148.510 1.00 0.75 H new ATOM 907 N ASP A 70 54.200 36.907-145.677 1.00 0.72 N ATOM 908 CA ASP A 70 53.270 36.028-144.915 1.00 0.78 C ATOM 909 C ASP A 70 53.649 36.119-143.439 1.00 0.69 C ATOM 910 O ASP A 70 53.108 35.435-142.593 1.00 0.84 O ATOM 911 CB ASP A 70 53.412 34.583-145.398 1.00 0.83 C ATOM 912 CG ASP A 70 53.049 34.502-146.883 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.210 35.278-147.310 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.616 33.666-147.566 1.00 1.34 O ATOM 0 H ASP A 70 55.186 36.651-145.636 1.00 0.72 H new ATOM 0 HA ASP A 70 52.237 36.343-145.064 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.433 34.235-145.243 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.761 33.929-144.818 1.00 0.83 H new ATOM 919 N GLY A 71 54.573 36.988-143.137 1.00 0.50 N ATOM 920 CA GLY A 71 55.009 37.182-141.728 1.00 0.43 C ATOM 921 C GLY A 71 55.690 35.922-141.182 1.00 0.34 C ATOM 922 O GLY A 71 55.780 35.745-139.983 1.00 0.31 O ATOM 0 H GLY A 71 55.050 37.580-143.817 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.697 38.025-141.670 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.147 37.431-141.109 1.00 0.43 H new ATOM 926 N GLU A 72 56.185 35.046-142.019 1.00 0.36 N ATOM 927 CA GLU A 72 56.856 33.836-141.458 1.00 0.34 C ATOM 928 C GLU A 72 58.063 34.308-140.646 1.00 0.30 C ATOM 929 O GLU A 72 58.231 33.956-139.497 1.00 0.30 O ATOM 930 CB GLU A 72 57.318 32.919-142.595 1.00 0.40 C ATOM 931 CG GLU A 72 57.897 33.759-143.735 1.00 1.23 C ATOM 932 CD GLU A 72 58.215 32.853-144.925 1.00 1.97 C ATOM 933 OE1 GLU A 72 59.206 32.145-144.858 1.00 2.68 O ATOM 934 OE2 GLU A 72 57.462 32.882-145.884 1.00 2.64 O ATOM 0 H GLU A 72 56.156 35.111-143.036 1.00 0.36 H new ATOM 0 HA GLU A 72 56.166 33.276-140.827 1.00 0.34 H new ATOM 0 HB2 GLU A 72 58.069 32.220-142.228 1.00 0.40 H new ATOM 0 HB3 GLU A 72 56.480 32.324-142.958 1.00 0.40 H new ATOM 0 HG2 GLU A 72 57.185 34.530-144.031 1.00 1.23 H new ATOM 0 HG3 GLU A 72 58.800 34.270-143.402 1.00 1.23 H new ATOM 941 N LYS A 73 58.901 35.113-141.236 1.00 0.31 N ATOM 942 CA LYS A 73 60.084 35.613-140.485 1.00 0.33 C ATOM 943 C LYS A 73 59.586 36.062-139.111 1.00 0.29 C ATOM 944 O LYS A 73 60.284 35.990-138.108 1.00 0.29 O ATOM 945 CB LYS A 73 60.707 36.794-141.234 1.00 0.38 C ATOM 946 CG LYS A 73 61.214 36.321-142.598 1.00 0.55 C ATOM 947 CD LYS A 73 62.042 37.428-143.252 1.00 1.07 C ATOM 948 CE LYS A 73 63.522 37.217-142.927 1.00 1.38 C ATOM 949 NZ LYS A 73 63.746 37.438-141.471 1.00 2.36 N ATOM 0 H LYS A 73 58.819 35.444-142.197 1.00 0.31 H new ATOM 0 HA LYS A 73 60.843 34.838-140.384 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.970 37.587-141.363 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.529 37.214-140.654 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.819 35.422-142.480 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.372 36.057-143.238 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.891 37.420-144.331 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.715 38.403-142.891 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.826 36.207-143.204 1.00 1.38 H new ATOM 0 HE3 LYS A 73 64.135 37.905-143.509 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.585 38.038-141.336 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.915 37.908-141.059 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.895 36.523-141.000 1.00 2.36 H new ATOM 963 N GLU A 74 58.338 36.433-139.051 1.00 0.28 N ATOM 964 CA GLU A 74 57.731 36.806-137.752 1.00 0.28 C ATOM 965 C GLU A 74 57.421 35.491-137.052 1.00 0.26 C ATOM 966 O GLU A 74 57.611 35.325-135.878 1.00 0.27 O ATOM 967 CB GLU A 74 56.435 37.576-137.993 1.00 0.31 C ATOM 968 CG GLU A 74 56.149 38.466-136.789 1.00 0.37 C ATOM 969 CD GLU A 74 54.669 38.366-136.416 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.891 37.957-137.262 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.338 38.701-135.290 1.00 1.14 O ATOM 0 H GLU A 74 57.712 36.493-139.854 1.00 0.28 H new ATOM 0 HA GLU A 74 58.394 37.437-137.160 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.520 38.181-138.896 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.610 36.882-138.151 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.768 38.163-135.945 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.407 39.500-137.019 1.00 0.37 H new ATOM 978 N ALA A 75 56.984 34.550-137.827 1.00 0.25 N ATOM 979 CA ALA A 75 56.699 33.205-137.265 1.00 0.27 C ATOM 980 C ALA A 75 57.964 32.792-136.535 1.00 0.26 C ATOM 981 O ALA A 75 57.980 32.656-135.331 1.00 0.27 O ATOM 982 CB ALA A 75 56.368 32.207-138.377 1.00 0.30 C ATOM 0 H ALA A 75 56.810 34.651-138.827 1.00 0.25 H new ATOM 0 HA ALA A 75 55.836 33.225-136.599 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.163 31.230-137.940 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.491 32.551-138.925 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.214 32.129-139.060 1.00 0.30 H new ATOM 988 N ARG A 76 59.027 32.594-137.251 1.00 0.28 N ATOM 989 CA ARG A 76 60.285 32.191-136.577 1.00 0.31 C ATOM 990 C ARG A 76 60.471 33.068-135.344 1.00 0.28 C ATOM 991 O ARG A 76 60.753 32.583-134.270 1.00 0.30 O ATOM 992 CB ARG A 76 61.469 32.377-137.529 1.00 0.35 C ATOM 993 CG ARG A 76 61.190 31.639-138.841 1.00 0.66 C ATOM 994 CD ARG A 76 62.448 30.889-139.288 1.00 1.00 C ATOM 995 NE ARG A 76 63.666 31.633-138.844 1.00 1.51 N ATOM 996 CZ ARG A 76 63.738 32.932-138.970 1.00 2.03 C ATOM 997 NH1 ARG A 76 62.788 33.589-139.578 1.00 2.34 N ATOM 998 NH2 ARG A 76 64.779 33.571-138.513 1.00 3.14 N ATOM 0 H ARG A 76 59.081 32.692-138.265 1.00 0.28 H new ATOM 0 HA ARG A 76 60.234 31.142-136.287 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.630 33.437-137.723 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.381 31.994-137.071 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.365 30.939-138.707 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.885 32.348-139.611 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.452 29.883-138.867 1.00 1.00 H new ATOM 0 HD3 ARG A 76 62.452 30.781-140.373 1.00 1.00 H new ATOM 0 HE ARG A 76 64.450 31.121-138.438 1.00 1.51 H new ATOM 0 HH11 ARG A 76 61.984 33.089-139.958 1.00 2.34 H new ATOM 0 HH12 ARG A 76 62.849 34.603-139.673 1.00 2.34 H new ATOM 0 HH21 ARG A 76 65.534 33.057-138.059 1.00 3.14 H new ATOM 0 HH22 ARG A 76 64.838 34.585-138.610 1.00 3.14 H new ATOM 1012 N LEU A 77 60.311 34.354-135.480 1.00 0.30 N ATOM 1013 CA LEU A 77 60.474 35.235-134.284 1.00 0.31 C ATOM 1014 C LEU A 77 59.531 34.774-133.170 1.00 0.29 C ATOM 1015 O LEU A 77 59.953 34.434-132.085 1.00 0.30 O ATOM 1016 CB LEU A 77 60.156 36.685-134.647 1.00 0.35 C ATOM 1017 CG LEU A 77 61.417 37.383-135.160 1.00 0.41 C ATOM 1018 CD1 LEU A 77 62.293 36.401-135.935 1.00 0.51 C ATOM 1019 CD2 LEU A 77 61.018 38.532-136.080 1.00 0.38 C ATOM 0 H LEU A 77 60.078 34.830-136.351 1.00 0.30 H new ATOM 0 HA LEU A 77 61.507 35.171-133.941 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.377 36.716-135.409 1.00 0.35 H new ATOM 0 HB3 LEU A 77 59.769 37.211-133.774 1.00 0.35 H new ATOM 0 HG LEU A 77 61.980 37.763-134.308 1.00 0.41 H new ATOM 0 HD11 LEU A 77 63.186 36.914-136.293 1.00 0.51 H new ATOM 0 HD12 LEU A 77 62.584 35.579-135.281 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.735 36.008-136.785 1.00 0.51 H new ATOM 0 HD21 LEU A 77 61.914 39.032-136.448 1.00 0.38 H new ATOM 0 HD22 LEU A 77 60.448 38.142-136.923 1.00 0.38 H new ATOM 0 HD23 LEU A 77 60.406 39.245-135.527 1.00 0.38 H new ATOM 1031 N ILE A 78 58.257 34.763-133.436 1.00 0.29 N ATOM 1032 CA ILE A 78 57.266 34.329-132.411 1.00 0.32 C ATOM 1033 C ILE A 78 57.672 32.978-131.838 1.00 0.30 C ATOM 1034 O ILE A 78 57.660 32.771-130.648 1.00 0.32 O ATOM 1035 CB ILE A 78 55.896 34.202-133.062 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.438 35.587-133.498 1.00 0.38 C ATOM 1037 CG2 ILE A 78 54.900 33.625-132.055 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.703 35.480-134.828 1.00 0.37 C ATOM 0 H ILE A 78 57.853 35.040-134.331 1.00 0.29 H new ATOM 0 HA ILE A 78 57.232 35.066-131.609 1.00 0.32 H new ATOM 0 HB ILE A 78 55.952 33.538-133.924 1.00 0.37 H new ATOM 0 HG12 ILE A 78 54.784 36.021-132.742 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.296 36.252-133.596 1.00 0.38 H new ATOM 0 HG21 ILE A 78 53.920 33.535-132.523 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.239 32.641-131.731 1.00 0.45 H new ATOM 0 HG23 ILE A 78 54.830 34.287-131.192 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.374 36.470-135.143 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.372 35.064-135.581 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.836 34.829-134.713 1.00 0.37 H new ATOM 1050 N ARG A 79 58.038 32.059-132.682 1.00 0.29 N ATOM 1051 CA ARG A 79 58.459 30.716-132.173 1.00 0.32 C ATOM 1052 C ARG A 79 59.742 30.871-131.345 1.00 0.26 C ATOM 1053 O ARG A 79 59.922 30.215-130.338 1.00 0.26 O ATOM 1054 CB ARG A 79 58.715 29.778-133.355 1.00 0.38 C ATOM 1055 CG ARG A 79 59.536 28.572-132.889 1.00 0.39 C ATOM 1056 CD ARG A 79 58.778 27.835-131.784 1.00 0.39 C ATOM 1057 NE ARG A 79 57.408 27.496-132.261 1.00 1.50 N ATOM 1058 CZ ARG A 79 56.692 26.616-131.617 1.00 2.14 C ATOM 1059 NH1 ARG A 79 57.175 26.032-130.555 1.00 2.28 N ATOM 1060 NH2 ARG A 79 55.490 26.321-132.034 1.00 3.27 N ATOM 0 H ARG A 79 58.066 32.172-133.695 1.00 0.29 H new ATOM 0 HA ARG A 79 57.671 30.295-131.548 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.768 29.444-133.778 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.247 30.309-134.144 1.00 0.38 H new ATOM 0 HG2 ARG A 79 59.723 27.900-133.727 1.00 0.39 H new ATOM 0 HG3 ARG A 79 60.508 28.901-132.521 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.312 26.927-131.505 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.720 28.457-130.891 1.00 0.39 H new ATOM 0 HE ARG A 79 57.030 27.952-133.091 1.00 1.50 H new ATOM 0 HH11 ARG A 79 58.113 26.263-130.228 1.00 2.28 H new ATOM 0 HH12 ARG A 79 56.615 25.344-130.052 1.00 2.28 H new ATOM 0 HH21 ARG A 79 55.111 26.779-132.863 1.00 3.27 H new ATOM 0 HH22 ARG A 79 54.930 25.633-131.531 1.00 3.27 H new ATOM 1074 N ASN A 80 60.630 31.739-131.753 1.00 0.23 N ATOM 1075 CA ASN A 80 61.892 31.940-130.979 1.00 0.21 C ATOM 1076 C ASN A 80 61.560 32.701-129.699 1.00 0.21 C ATOM 1077 O ASN A 80 62.270 32.632-128.714 1.00 0.22 O ATOM 1078 CB ASN A 80 62.888 32.746-131.813 1.00 0.23 C ATOM 1079 CG ASN A 80 62.957 32.168-133.228 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.949 32.901-134.197 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.026 30.875-133.389 1.00 1.15 N ATOM 0 H ASN A 80 60.537 32.317-132.588 1.00 0.23 H new ATOM 0 HA ASN A 80 62.337 30.975-130.736 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.584 33.792-131.851 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.874 32.717-131.349 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.073 30.480-134.328 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.033 30.259-132.576 1.00 1.15 H new ATOM 1088 N LEU A 81 60.439 33.363-129.684 1.00 0.23 N ATOM 1089 CA LEU A 81 60.011 34.063-128.449 1.00 0.28 C ATOM 1090 C LEU A 81 59.390 32.987-127.581 1.00 0.30 C ATOM 1091 O LEU A 81 59.756 32.777-126.444 1.00 0.31 O ATOM 1092 CB LEU A 81 58.974 35.139-128.782 1.00 0.35 C ATOM 1093 CG LEU A 81 59.688 36.414-129.233 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.681 37.353-129.901 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.303 37.109-128.017 1.00 1.26 C ATOM 0 H LEU A 81 59.802 33.448-130.476 1.00 0.23 H new ATOM 0 HA LEU A 81 60.843 34.562-127.951 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.307 34.785-129.568 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.355 35.346-127.909 1.00 0.35 H new ATOM 0 HG LEU A 81 60.474 36.159-129.944 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.189 38.262-130.223 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.240 36.858-130.766 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.895 37.609-129.190 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.812 38.018-128.337 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.516 37.364-127.307 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.019 36.440-127.539 1.00 1.26 H new ATOM 1107 N ASN A 82 58.475 32.271-128.160 1.00 0.35 N ATOM 1108 CA ASN A 82 57.823 31.149-127.457 1.00 0.42 C ATOM 1109 C ASN A 82 58.906 30.287-126.823 1.00 0.37 C ATOM 1110 O ASN A 82 58.952 30.113-125.621 1.00 0.38 O ATOM 1111 CB ASN A 82 57.031 30.346-128.496 1.00 0.51 C ATOM 1112 CG ASN A 82 55.626 30.934-128.636 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.307 31.540-129.640 1.00 1.27 O ATOM 1114 ND2 ASN A 82 54.766 30.781-127.667 1.00 0.98 N ATOM 0 H ASN A 82 58.147 32.423-129.114 1.00 0.35 H new ATOM 0 HA ASN A 82 57.148 31.498-126.675 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.544 30.370-129.457 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.970 29.301-128.193 1.00 0.51 H new ATOM 0 HD21 ASN A 82 53.827 31.170-127.752 1.00 0.98 H new ATOM 0 HD22 ASN A 82 55.033 30.273-126.824 1.00 0.98 H new ATOM 1121 N VAL A 83 59.796 29.763-127.616 1.00 0.35 N ATOM 1122 CA VAL A 83 60.891 28.934-127.051 1.00 0.36 C ATOM 1123 C VAL A 83 61.595 29.741-125.962 1.00 0.32 C ATOM 1124 O VAL A 83 61.739 29.297-124.846 1.00 0.35 O ATOM 1125 CB VAL A 83 61.889 28.583-128.156 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.861 27.517-127.647 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.132 28.043-129.372 1.00 0.44 C ATOM 0 H VAL A 83 59.812 29.873-128.630 1.00 0.35 H new ATOM 0 HA VAL A 83 60.487 28.013-126.632 1.00 0.36 H new ATOM 0 HB VAL A 83 62.446 29.476-128.440 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.572 27.267-128.435 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.400 27.900-126.780 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.305 26.623-127.363 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.842 27.792-130.160 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.576 27.150-129.087 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.439 28.802-129.735 1.00 0.44 H new ATOM 1137 N ILE A 84 62.034 30.929-126.279 1.00 0.27 N ATOM 1138 CA ILE A 84 62.719 31.743-125.244 1.00 0.30 C ATOM 1139 C ILE A 84 61.920 31.646-123.944 1.00 0.31 C ATOM 1140 O ILE A 84 62.458 31.364-122.886 1.00 0.37 O ATOM 1141 CB ILE A 84 62.797 33.197-125.687 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.946 33.348-126.679 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.056 34.086-124.467 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.711 34.584-127.536 1.00 0.37 C ATOM 0 H ILE A 84 61.948 31.364-127.198 1.00 0.27 H new ATOM 0 HA ILE A 84 63.732 31.370-125.094 1.00 0.30 H new ATOM 0 HB ILE A 84 61.860 33.494-126.158 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.893 33.435-126.146 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.016 32.462-127.310 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.112 35.128-124.782 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.243 33.967-123.751 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.997 33.797-123.999 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.530 34.695-128.246 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.772 34.477-128.079 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.662 35.466-126.897 1.00 0.37 H new ATOM 1156 N LEU A 85 60.636 31.877-124.013 1.00 0.35 N ATOM 1157 CA LEU A 85 59.799 31.801-122.783 1.00 0.42 C ATOM 1158 C LEU A 85 59.806 30.372-122.239 1.00 0.42 C ATOM 1159 O LEU A 85 59.889 30.155-121.051 1.00 0.47 O ATOM 1160 CB LEU A 85 58.366 32.218-123.112 1.00 0.54 C ATOM 1161 CG LEU A 85 58.237 33.734-122.979 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.251 34.115-121.498 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.413 34.409-123.684 1.00 0.61 C ATOM 0 H LEU A 85 60.132 32.115-124.867 1.00 0.35 H new ATOM 0 HA LEU A 85 60.208 32.473-122.029 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.108 31.907-124.124 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.667 31.722-122.439 1.00 0.54 H new ATOM 0 HG LEU A 85 57.302 34.061-123.434 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.159 35.197-121.400 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.416 33.632-120.990 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.188 33.788-121.047 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.321 35.491-123.589 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.347 34.083-123.227 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.410 34.136-124.739 1.00 0.61 H new ATOM 1175 N ALA A 86 59.723 29.395-123.097 1.00 0.47 N ATOM 1176 CA ALA A 86 59.736 27.985-122.616 1.00 0.58 C ATOM 1177 C ALA A 86 61.126 27.669-122.060 1.00 0.59 C ATOM 1178 O ALA A 86 61.320 26.710-121.340 1.00 0.73 O ATOM 1179 CB ALA A 86 59.424 27.044-123.781 1.00 0.64 C ATOM 0 H ALA A 86 59.647 29.510-124.108 1.00 0.47 H new ATOM 0 HA ALA A 86 58.985 27.850-121.838 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.434 26.013-123.428 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.440 27.280-124.186 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.176 27.168-124.560 1.00 0.64 H new ATOM 1185 N LYS A 87 62.092 28.474-122.403 1.00 0.50 N ATOM 1186 CA LYS A 87 63.480 28.246-121.921 1.00 0.60 C ATOM 1187 C LYS A 87 63.626 28.808-120.515 1.00 0.58 C ATOM 1188 O LYS A 87 64.173 28.178-119.633 1.00 0.71 O ATOM 1189 CB LYS A 87 64.446 28.972-122.847 1.00 0.61 C ATOM 1190 CG LYS A 87 65.821 28.302-122.788 1.00 0.82 C ATOM 1191 CD LYS A 87 66.794 29.052-123.700 1.00 0.99 C ATOM 1192 CE LYS A 87 68.112 28.280-123.784 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.598 27.974-122.408 1.00 2.02 N ATOM 0 H LYS A 87 61.976 29.290-123.004 1.00 0.50 H new ATOM 0 HA LYS A 87 63.697 27.178-121.912 1.00 0.60 H new ATOM 0 HB2 LYS A 87 64.067 28.956-123.869 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.528 30.019-122.554 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.193 28.301-121.764 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.743 27.260-123.100 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.363 29.166-124.695 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.972 30.055-123.313 1.00 0.99 H new ATOM 0 HE2 LYS A 87 67.969 27.356-124.345 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.856 28.868-124.322 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.620 27.782-122.435 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.415 28.787-121.786 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.099 27.139-122.041 1.00 2.02 H new ATOM 1207 N TYR A 88 63.122 29.987-120.295 1.00 0.45 N ATOM 1208 CA TYR A 88 63.218 30.578-118.936 1.00 0.47 C ATOM 1209 C TYR A 88 62.073 30.025-118.099 1.00 0.54 C ATOM 1210 O TYR A 88 62.119 30.001-116.885 1.00 0.58 O ATOM 1211 CB TYR A 88 63.123 32.101-119.025 1.00 0.44 C ATOM 1212 CG TYR A 88 64.459 32.644-119.470 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.454 32.916-118.524 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.706 32.864-120.830 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.696 33.410-118.938 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.949 33.356-121.244 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.944 33.629-120.298 1.00 0.61 C ATOM 1218 OH TYR A 88 68.169 34.111-120.705 1.00 0.73 O ATOM 0 H TYR A 88 62.651 30.563-120.992 1.00 0.45 H new ATOM 0 HA TYR A 88 64.173 30.323-118.476 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.344 32.390-119.730 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.848 32.520-118.057 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.263 32.745-117.475 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.938 32.654-121.560 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.463 33.622-118.208 1.00 0.64 H new ATOM 0 HE2 TYR A 88 66.141 33.525-122.293 1.00 0.62 H new ATOM 0 HH TYR A 88 68.216 34.100-121.684 1.00 0.73 H new ATOM 1228 N GLY A 89 61.037 29.600-118.756 1.00 0.59 N ATOM 1229 CA GLY A 89 59.860 29.059-118.022 1.00 0.69 C ATOM 1230 C GLY A 89 59.002 30.235-117.565 1.00 0.77 C ATOM 1231 O GLY A 89 58.519 30.276-116.451 1.00 1.09 O ATOM 0 H GLY A 89 60.951 29.603-119.772 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.283 28.395-118.666 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.185 28.469-117.165 1.00 0.69 H new ATOM 1235 N LEU A 90 58.810 31.190-118.429 1.00 0.65 N ATOM 1236 CA LEU A 90 57.985 32.372-118.074 1.00 0.75 C ATOM 1237 C LEU A 90 56.739 32.403-118.959 1.00 0.80 C ATOM 1238 O LEU A 90 56.028 33.388-119.016 1.00 1.31 O ATOM 1239 CB LEU A 90 58.807 33.638-118.311 1.00 0.82 C ATOM 1240 CG LEU A 90 58.920 34.420-117.009 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.820 35.636-117.229 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.526 34.876-116.580 1.00 1.68 C ATOM 0 H LEU A 90 59.194 31.201-119.374 1.00 0.65 H new ATOM 0 HA LEU A 90 57.685 32.315-117.028 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.799 33.377-118.678 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.335 34.253-119.077 1.00 0.82 H new ATOM 0 HG LEU A 90 59.351 33.791-116.230 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.904 36.199-116.300 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.810 35.304-117.543 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.389 36.273-118.001 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.597 35.437-115.648 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.097 35.512-117.354 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.888 34.005-116.431 1.00 1.68 H new