USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=13 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 Set 1.1: A 52 GLN :FLIP amide:sc= -6.68! C(o=-11!,f=-10!) USER MOD Set 1.2: A 80 ASN :FLIP amide:sc= -3.45! C(o=-11!,f=-10!) USER MOD Set 2.1: A 22 MET CE :methyl 161:sc= -3.87! (180deg=-0.0349) USER MOD Set 2.2: A 24 LYS NZ :NH3+ -159:sc= -3.08! (180deg=-0.379) USER MOD Single : A 26 ASN : amide:sc= -9.13! C(o=-9.1!,f=-22!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= -5.76! (180deg=-6.41!) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.34! F(o=-3.7,f=-1.3!) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.03! C(o=-5!,f=-2!) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -1.79 F(o=-6.9!,f=-1.8) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 142:sc= -0.532 (180deg=-1.24) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= -0.268 (180deg=-1.64!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.915 F(o=-2.3!,f=-0.91) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -6.58! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 61.872 54.499-121.202 1.00 3.57 N ATOM 2 CA GLY A 17 61.489 54.895-122.628 1.00 2.94 C ATOM 3 C GLY A 17 61.009 53.847-123.574 1.00 2.17 C ATOM 4 O GLY A 17 59.983 53.994-124.209 1.00 2.41 O ATOM 0 HA2 GLY A 17 60.710 55.655-122.559 1.00 2.94 H new ATOM 0 HA3 GLY A 17 62.359 55.371-123.080 1.00 2.94 H new ATOM 8 N GLU A 18 61.732 52.767-123.693 1.00 1.64 N ATOM 9 CA GLU A 18 61.305 51.682-124.623 1.00 0.99 C ATOM 10 C GLU A 18 62.510 50.803-124.970 1.00 0.98 C ATOM 11 O GLU A 18 62.826 50.600-126.123 1.00 1.60 O ATOM 12 CB GLU A 18 60.740 52.301-125.905 1.00 1.22 C ATOM 13 CG GLU A 18 59.210 52.337-125.835 1.00 1.64 C ATOM 14 CD GLU A 18 58.628 51.209-126.689 1.00 2.48 C ATOM 15 OE1 GLU A 18 59.278 50.820-127.646 1.00 3.13 O ATOM 16 OE2 GLU A 18 57.540 50.755-126.374 1.00 3.09 O ATOM 0 H GLU A 18 62.599 52.589-123.187 1.00 1.64 H new ATOM 0 HA GLU A 18 60.538 51.074-124.143 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.131 53.310-126.035 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.060 51.721-126.771 1.00 1.22 H new ATOM 0 HG2 GLU A 18 58.881 52.230-124.801 1.00 1.64 H new ATOM 0 HG3 GLU A 18 58.843 53.300-126.189 1.00 1.64 H new ATOM 23 N GLU A 19 63.192 50.299-123.974 1.00 0.57 N ATOM 24 CA GLU A 19 64.387 49.443-124.249 1.00 0.55 C ATOM 25 C GLU A 19 64.378 49.055-125.732 1.00 0.56 C ATOM 26 O GLU A 19 65.292 49.365-126.471 1.00 0.63 O ATOM 27 CB GLU A 19 64.367 48.188-123.365 1.00 0.45 C ATOM 28 CG GLU A 19 62.965 47.576-123.331 1.00 0.38 C ATOM 29 CD GLU A 19 61.983 48.570-122.708 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.408 49.349-121.871 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.821 48.535-123.079 1.00 2.06 O ATOM 0 H GLU A 19 62.976 50.441-122.987 1.00 0.57 H new ATOM 0 HA GLU A 19 65.297 49.997-124.018 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.080 47.457-123.746 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.683 48.444-122.354 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.645 47.319-124.341 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.976 46.651-122.755 1.00 0.38 H new ATOM 38 N PHE A 20 63.338 48.406-126.178 1.00 0.51 N ATOM 39 CA PHE A 20 63.243 48.023-127.619 1.00 0.54 C ATOM 40 C PHE A 20 62.149 48.871-128.269 1.00 0.55 C ATOM 41 O PHE A 20 61.624 49.780-127.659 1.00 0.57 O ATOM 42 CB PHE A 20 62.868 46.546-127.740 1.00 0.52 C ATOM 43 CG PHE A 20 63.729 45.731-126.810 1.00 0.52 C ATOM 44 CD1 PHE A 20 65.074 45.502-127.118 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.179 45.206-125.637 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.870 44.745-126.250 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.974 44.451-124.767 1.00 0.51 C ATOM 48 CZ PHE A 20 65.321 44.221-125.075 1.00 0.56 C ATOM 0 H PHE A 20 62.544 48.122-125.604 1.00 0.51 H new ATOM 0 HA PHE A 20 64.202 48.189-128.111 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.815 46.406-127.495 1.00 0.52 H new ATOM 0 HB3 PHE A 20 63.003 46.208-128.768 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.498 45.909-128.024 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.140 45.383-125.402 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.908 44.566-126.488 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.550 44.047-123.860 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.936 43.639-124.405 1.00 0.56 H new ATOM 58 N ARG A 21 61.784 48.595-129.493 1.00 0.57 N ATOM 59 CA ARG A 21 60.712 49.406-130.143 1.00 0.60 C ATOM 60 C ARG A 21 59.550 48.478-130.484 1.00 0.57 C ATOM 61 O ARG A 21 58.589 48.858-131.122 1.00 0.59 O ATOM 62 CB ARG A 21 61.256 50.026-131.427 1.00 0.69 C ATOM 63 CG ARG A 21 62.456 50.916-131.101 1.00 0.74 C ATOM 64 CD ARG A 21 63.063 51.450-132.400 1.00 0.82 C ATOM 65 NE ARG A 21 63.565 50.311-133.220 1.00 1.35 N ATOM 66 CZ ARG A 21 63.846 50.490-134.482 1.00 1.78 C ATOM 67 NH1 ARG A 21 63.686 51.665-135.026 1.00 2.06 N ATOM 68 NH2 ARG A 21 64.286 49.493-135.199 1.00 2.72 N ATOM 0 H ARG A 21 62.178 47.850-130.067 1.00 0.57 H new ATOM 0 HA ARG A 21 60.379 50.199-129.473 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.551 49.242-132.124 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.479 50.612-131.917 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.145 51.745-130.465 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.202 50.349-130.544 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.315 52.012-132.959 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.878 52.138-132.177 1.00 0.82 H new ATOM 0 HE ARG A 21 63.689 49.392-132.795 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.341 52.444-134.465 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.906 51.805-136.012 1.00 2.06 H new ATOM 0 HH21 ARG A 21 64.410 48.574-134.773 1.00 2.72 H new ATOM 0 HH22 ARG A 21 64.506 49.632-136.185 1.00 2.72 H new ATOM 82 N MET A 22 59.648 47.260-130.046 1.00 0.54 N ATOM 83 CA MET A 22 58.571 46.270-130.314 1.00 0.55 C ATOM 84 C MET A 22 57.731 46.087-129.052 1.00 0.49 C ATOM 85 O MET A 22 58.236 45.725-128.007 1.00 0.63 O ATOM 86 CB MET A 22 59.192 44.933-130.709 1.00 0.61 C ATOM 87 CG MET A 22 59.444 44.909-132.218 1.00 0.71 C ATOM 88 SD MET A 22 57.861 44.850-133.093 1.00 1.14 S ATOM 89 CE MET A 22 58.172 43.326-134.020 1.00 1.25 C ATOM 0 H MET A 22 60.437 46.902-129.507 1.00 0.54 H new ATOM 0 HA MET A 22 57.940 46.629-131.127 1.00 0.55 H new ATOM 0 HB2 MET A 22 60.128 44.783-130.171 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.528 44.115-130.428 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.005 45.794-132.518 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.050 44.043-132.483 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.225 42.912-134.367 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.808 43.545-134.877 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.670 42.603-133.374 1.00 1.25 H new ATOM 99 N GLU A 23 56.456 46.338-129.134 1.00 0.47 N ATOM 100 CA GLU A 23 55.595 46.183-127.932 1.00 0.46 C ATOM 101 C GLU A 23 55.770 44.781-127.354 1.00 0.50 C ATOM 102 O GLU A 23 55.878 44.606-126.158 1.00 0.50 O ATOM 103 CB GLU A 23 54.130 46.403-128.316 1.00 0.50 C ATOM 104 CG GLU A 23 53.914 47.873-128.682 1.00 1.45 C ATOM 105 CD GLU A 23 52.421 48.134-128.886 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.665 47.176-128.877 1.00 2.68 O ATOM 107 OE2 GLU A 23 52.057 49.287-129.046 1.00 2.48 O ATOM 0 H GLU A 23 55.974 46.643-129.980 1.00 0.47 H new ATOM 0 HA GLU A 23 55.885 46.920-127.183 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.864 45.765-129.158 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.480 46.124-127.487 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.302 48.516-127.892 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.464 48.117-129.591 1.00 1.45 H new ATOM 114 N LYS A 24 55.802 43.776-128.184 1.00 0.54 N ATOM 115 CA LYS A 24 55.975 42.396-127.656 1.00 0.59 C ATOM 116 C LYS A 24 57.226 42.347-126.783 1.00 0.53 C ATOM 117 O LYS A 24 57.198 41.868-125.667 1.00 0.55 O ATOM 118 CB LYS A 24 56.119 41.415-128.821 1.00 0.67 C ATOM 119 CG LYS A 24 57.584 41.351-129.257 1.00 0.64 C ATOM 120 CD LYS A 24 57.705 40.491-130.516 1.00 0.77 C ATOM 121 CE LYS A 24 56.792 41.051-131.608 1.00 1.46 C ATOM 122 NZ LYS A 24 57.357 40.719-132.946 1.00 2.09 N ATOM 0 H LYS A 24 55.716 43.850-129.198 1.00 0.54 H new ATOM 0 HA LYS A 24 55.104 42.118-127.062 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.774 40.425-128.521 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.494 41.731-129.656 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.960 42.355-129.452 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.194 40.932-128.457 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.738 40.479-130.863 1.00 0.77 H new ATOM 0 HD3 LYS A 24 57.431 39.460-130.292 1.00 0.77 H new ATOM 0 HE2 LYS A 24 55.791 40.632-131.510 1.00 1.46 H new ATOM 0 HE3 LYS A 24 56.697 42.131-131.499 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.968 41.370-133.658 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 58.392 40.814-132.919 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 57.105 39.742-133.196 1.00 2.09 H new ATOM 136 N LEU A 25 58.326 42.837-127.281 1.00 0.47 N ATOM 137 CA LEU A 25 59.585 42.819-126.486 1.00 0.42 C ATOM 138 C LEU A 25 59.425 43.688-125.243 1.00 0.39 C ATOM 139 O LEU A 25 59.620 43.243-124.139 1.00 0.55 O ATOM 140 CB LEU A 25 60.727 43.380-127.336 1.00 0.43 C ATOM 141 CG LEU A 25 61.365 42.264-128.162 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.391 42.672-129.636 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.796 42.039-127.674 1.00 1.03 C ATOM 0 H LEU A 25 58.408 43.251-128.209 1.00 0.47 H new ATOM 0 HA LEU A 25 59.806 41.794-126.189 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.350 44.161-127.996 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.477 43.841-126.693 1.00 0.43 H new ATOM 0 HG LEU A 25 60.787 41.347-128.050 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.846 41.876-130.226 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.372 42.844-129.984 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.973 43.586-129.750 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.259 41.244-128.258 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.370 42.958-127.793 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.781 41.754-126.622 1.00 1.03 H new ATOM 155 N ASN A 26 59.077 44.929-125.419 1.00 0.39 N ATOM 156 CA ASN A 26 58.916 45.814-124.231 1.00 0.37 C ATOM 157 C ASN A 26 58.003 45.105-123.234 1.00 0.40 C ATOM 158 O ASN A 26 58.369 44.834-122.108 1.00 0.40 O ATOM 159 CB ASN A 26 58.290 47.144-124.646 1.00 0.41 C ATOM 160 CG ASN A 26 58.831 47.557-126.015 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.576 46.822-126.633 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.487 48.709-126.520 1.00 0.45 N ATOM 0 H ASN A 26 58.898 45.367-126.322 1.00 0.39 H new ATOM 0 HA ASN A 26 59.888 46.017-123.782 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.205 47.051-124.685 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.518 47.912-123.906 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.843 48.992-127.433 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.862 49.327-126.002 1.00 0.45 H new ATOM 169 N GLN A 27 56.814 44.803-123.659 1.00 0.44 N ATOM 170 CA GLN A 27 55.852 44.107-122.767 1.00 0.50 C ATOM 171 C GLN A 27 56.560 42.937-122.084 1.00 0.47 C ATOM 172 O GLN A 27 56.508 42.785-120.879 1.00 0.48 O ATOM 173 CB GLN A 27 54.675 43.582-123.592 1.00 0.59 C ATOM 174 CG GLN A 27 53.830 44.758-124.086 1.00 0.58 C ATOM 175 CD GLN A 27 52.677 44.234-124.943 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.649 43.072-125.299 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.716 45.046-125.290 1.00 2.02 N ATOM 0 H GLN A 27 56.463 45.010-124.594 1.00 0.44 H new ATOM 0 HA GLN A 27 55.481 44.802-122.014 1.00 0.50 H new ATOM 0 HB2 GLN A 27 55.041 43.003-124.440 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.065 42.911-122.988 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.440 45.321-123.238 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.447 45.444-124.667 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.739 46.021-124.991 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.942 44.706-125.860 1.00 2.02 H new ATOM 186 N LEU A 28 57.209 42.099-122.845 1.00 0.47 N ATOM 187 CA LEU A 28 57.905 40.922-122.244 1.00 0.47 C ATOM 188 C LEU A 28 58.993 41.386-121.277 1.00 0.39 C ATOM 189 O LEU A 28 59.123 40.865-120.186 1.00 0.50 O ATOM 190 CB LEU A 28 58.538 40.083-123.356 1.00 0.50 C ATOM 191 CG LEU A 28 57.494 39.125-123.930 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.877 38.750-125.363 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.437 37.861-123.070 1.00 1.21 C ATOM 0 H LEU A 28 57.288 42.177-123.859 1.00 0.47 H new ATOM 0 HA LEU A 28 57.177 40.323-121.697 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.922 40.733-124.142 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.386 39.521-122.964 1.00 0.50 H new ATOM 0 HG LEU A 28 56.518 39.610-123.931 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.132 38.067-125.772 1.00 1.41 H new ATOM 0 HD12 LEU A 28 57.919 39.650-125.976 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.853 38.265-125.364 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.693 37.177-123.478 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.414 37.377-123.069 1.00 1.21 H new ATOM 0 HD23 LEU A 28 57.164 38.128-122.049 1.00 1.21 H new ATOM 205 N TRP A 29 59.776 42.357-121.652 1.00 0.37 N ATOM 206 CA TRP A 29 60.847 42.848-120.749 1.00 0.30 C ATOM 207 C TRP A 29 60.204 43.317-119.452 1.00 0.36 C ATOM 208 O TRP A 29 60.458 42.788-118.385 1.00 0.39 O ATOM 209 CB TRP A 29 61.527 44.021-121.458 1.00 0.32 C ATOM 210 CG TRP A 29 62.697 44.527-120.689 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.941 45.833-120.469 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.789 43.790-120.059 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.108 45.957-119.749 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.667 44.727-119.465 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.101 42.422-119.943 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.813 44.323-118.780 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.253 42.014-119.253 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.106 42.962-118.673 1.00 0.41 C ATOM 0 H TRP A 29 59.718 42.834-122.552 1.00 0.37 H new ATOM 0 HA TRP A 29 61.577 42.072-120.520 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.852 43.707-122.450 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.808 44.828-121.598 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.321 46.652-120.804 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.510 46.849-119.461 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.451 41.683-120.387 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.469 45.057-118.336 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.483 40.962-119.169 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.990 42.640-118.143 1.00 0.41 H new ATOM 229 N GLU A 30 59.373 44.312-119.537 1.00 0.45 N ATOM 230 CA GLU A 30 58.715 44.815-118.309 1.00 0.56 C ATOM 231 C GLU A 30 58.246 43.601-117.515 1.00 0.50 C ATOM 232 O GLU A 30 58.449 43.505-116.322 1.00 0.52 O ATOM 233 CB GLU A 30 57.512 45.684-118.686 1.00 0.68 C ATOM 234 CG GLU A 30 57.995 47.077-119.093 1.00 0.86 C ATOM 235 CD GLU A 30 56.789 47.982-119.346 1.00 1.53 C ATOM 236 OE1 GLU A 30 56.133 47.794-120.357 1.00 2.33 O ATOM 237 OE2 GLU A 30 56.542 48.850-118.524 1.00 2.06 O ATOM 0 H GLU A 30 59.123 44.796-120.399 1.00 0.45 H new ATOM 0 HA GLU A 30 59.405 45.419-117.720 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.961 45.224-119.507 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.825 45.758-117.843 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.622 47.500-118.308 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.609 47.012-119.991 1.00 0.86 H new ATOM 244 N LYS A 31 57.623 42.666-118.178 1.00 0.46 N ATOM 245 CA LYS A 31 57.144 41.448-117.473 1.00 0.45 C ATOM 246 C LYS A 31 58.311 40.795-116.731 1.00 0.43 C ATOM 247 O LYS A 31 58.226 40.517-115.551 1.00 0.46 O ATOM 248 CB LYS A 31 56.572 40.455-118.487 1.00 0.44 C ATOM 249 CG LYS A 31 55.050 40.607-118.558 1.00 0.91 C ATOM 250 CD LYS A 31 54.585 40.445-120.008 1.00 0.99 C ATOM 251 CE LYS A 31 54.704 38.979-120.436 1.00 1.36 C ATOM 252 NZ LYS A 31 55.475 38.215-119.415 1.00 2.08 N ATOM 0 H LYS A 31 57.426 42.695-119.178 1.00 0.46 H new ATOM 0 HA LYS A 31 56.367 41.728-116.761 1.00 0.45 H new ATOM 0 HB2 LYS A 31 57.011 40.631-119.469 1.00 0.44 H new ATOM 0 HB3 LYS A 31 56.832 39.436-118.199 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.570 39.860-117.926 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.754 41.585-118.177 1.00 0.91 H new ATOM 0 HD2 LYS A 31 53.552 40.778-120.107 1.00 0.99 H new ATOM 0 HD3 LYS A 31 55.187 41.074-120.664 1.00 0.99 H new ATOM 0 HE2 LYS A 31 53.712 38.544-120.556 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.200 38.913-121.404 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 55.410 37.198-119.620 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 56.472 38.510-119.441 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 55.082 38.404-118.471 1.00 2.08 H new ATOM 266 N ALA A 32 59.404 40.541-117.403 1.00 0.41 N ATOM 267 CA ALA A 32 60.553 39.898-116.704 1.00 0.41 C ATOM 268 C ALA A 32 60.930 40.728-115.486 1.00 0.41 C ATOM 269 O ALA A 32 60.913 40.241-114.374 1.00 0.42 O ATOM 270 CB ALA A 32 61.770 39.785-117.621 1.00 0.42 C ATOM 0 H ALA A 32 59.549 40.748-118.391 1.00 0.41 H new ATOM 0 HA ALA A 32 60.249 38.895-116.406 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.590 39.312-117.081 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.514 39.182-118.492 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.075 40.780-117.945 1.00 0.42 H new ATOM 276 N GLN A 33 61.263 41.981-115.655 1.00 0.43 N ATOM 277 CA GLN A 33 61.626 42.790-114.469 1.00 0.47 C ATOM 278 C GLN A 33 60.527 42.656-113.423 1.00 0.49 C ATOM 279 O GLN A 33 60.796 42.435-112.265 1.00 0.53 O ATOM 280 CB GLN A 33 61.794 44.254-114.882 1.00 0.51 C ATOM 281 CG GLN A 33 63.032 44.393-115.777 1.00 0.53 C ATOM 282 CD GLN A 33 63.186 45.852-116.212 1.00 0.75 C ATOM 283 OE1 GLN A 33 62.639 46.794-115.494 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.811 46.137-117.213 1.00 1.23 N flip ATOM 0 H GLN A 33 61.297 42.468-116.551 1.00 0.43 H new ATOM 0 HA GLN A 33 62.567 42.436-114.047 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.907 44.597-115.414 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.899 44.883-113.998 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.922 44.067-115.238 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.936 43.750-116.652 1.00 0.53 H new ATOM 0 HE21 GLN A 33 64.239 45.400-117.774 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.909 47.113-117.493 1.00 1.23 H new ATOM 293 N ARG A 34 59.289 42.756-113.822 1.00 0.49 N ATOM 294 CA ARG A 34 58.191 42.598-112.829 1.00 0.52 C ATOM 295 C ARG A 34 58.442 41.300-112.077 1.00 0.52 C ATOM 296 O ARG A 34 58.253 41.201-110.880 1.00 0.55 O ATOM 297 CB ARG A 34 56.845 42.525-113.550 1.00 0.56 C ATOM 298 CG ARG A 34 56.207 43.914-113.587 1.00 0.67 C ATOM 299 CD ARG A 34 55.519 44.197-112.250 1.00 1.59 C ATOM 300 NE ARG A 34 55.189 45.647-112.159 1.00 1.96 N ATOM 301 CZ ARG A 34 54.346 46.069-111.256 1.00 2.81 C ATOM 302 NH1 ARG A 34 53.793 45.220-110.433 1.00 3.42 N ATOM 303 NH2 ARG A 34 54.056 47.339-111.176 1.00 3.58 N ATOM 0 H ARG A 34 58.993 42.938-114.781 1.00 0.49 H new ATOM 0 HA ARG A 34 58.168 43.445-112.143 1.00 0.52 H new ATOM 0 HB2 ARG A 34 56.984 42.151-114.564 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.185 41.824-113.039 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.967 44.670-113.784 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.483 43.971-114.400 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.611 43.600-112.162 1.00 1.59 H new ATOM 0 HD3 ARG A 34 56.171 43.909-111.425 1.00 1.59 H new ATOM 0 HE ARG A 34 55.622 46.310-112.802 1.00 1.96 H new ATOM 0 HH11 ARG A 34 54.020 44.227-110.496 1.00 3.42 H new ATOM 0 HH12 ARG A 34 53.134 45.549-109.727 1.00 3.42 H new ATOM 0 HH21 ARG A 34 54.488 48.002-111.819 1.00 3.58 H new ATOM 0 HH22 ARG A 34 53.397 47.668-110.470 1.00 3.58 H new ATOM 317 N LEU A 35 58.922 40.321-112.781 1.00 0.50 N ATOM 318 CA LEU A 35 59.258 39.032-112.133 1.00 0.54 C ATOM 319 C LEU A 35 60.630 39.210-111.504 1.00 0.55 C ATOM 320 O LEU A 35 61.123 38.367-110.781 1.00 0.61 O ATOM 321 CB LEU A 35 59.313 37.919-113.178 1.00 0.57 C ATOM 322 CG LEU A 35 57.896 37.424-113.477 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.303 38.233-114.632 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.947 35.945-113.861 1.00 0.84 C ATOM 0 H LEU A 35 59.097 40.359-113.785 1.00 0.50 H new ATOM 0 HA LEU A 35 58.509 38.760-111.389 1.00 0.54 H new ATOM 0 HB2 LEU A 35 59.781 38.287-114.091 1.00 0.57 H new ATOM 0 HB3 LEU A 35 59.928 37.095-112.815 1.00 0.57 H new ATOM 0 HG LEU A 35 57.272 37.550-112.592 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.294 37.879-114.844 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.268 39.287-114.357 1.00 1.20 H new ATOM 0 HD13 LEU A 35 57.924 38.110-115.519 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.939 35.590-114.075 1.00 0.84 H new ATOM 0 HD22 LEU A 35 58.571 35.820-114.746 1.00 0.84 H new ATOM 0 HD23 LEU A 35 58.368 35.369-113.037 1.00 0.84 H new ATOM 336 N HIS A 36 61.249 40.319-111.799 1.00 0.53 N ATOM 337 CA HIS A 36 62.606 40.595-111.253 1.00 0.58 C ATOM 338 C HIS A 36 63.440 39.319-111.313 1.00 0.49 C ATOM 339 O HIS A 36 63.327 38.468-110.452 1.00 1.37 O ATOM 340 CB HIS A 36 62.504 41.042-109.791 1.00 0.98 C ATOM 341 CG HIS A 36 62.313 42.530-109.729 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.258 43.329-110.074 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 63.298 43.383-109.256 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 61.574 44.661-109.822 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.816 44.637-109.331 1.00 2.17 N flip ATOM 0 H HIS A 36 60.870 41.051-112.399 1.00 0.53 H new ATOM 0 HA HIS A 36 63.072 41.383-111.845 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.669 40.538-109.304 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.407 40.759-109.250 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.373 42.999-110.458 1.00 1.89 H new ATOM 0 HD2 HIS A 36 64.274 43.094-108.894 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.950 45.527-109.988 1.00 2.32 H new ATOM 353 N LEU A 37 64.297 39.164-112.289 1.00 0.59 N ATOM 354 CA LEU A 37 65.135 37.937-112.335 1.00 0.43 C ATOM 355 C LEU A 37 66.571 38.346-111.995 1.00 0.44 C ATOM 356 O LEU A 37 66.971 39.459-112.272 1.00 0.42 O ATOM 357 CB LEU A 37 65.120 37.345-113.748 1.00 0.53 C ATOM 358 CG LEU A 37 63.688 37.291-114.279 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.369 38.591-115.018 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.557 36.114-115.249 1.00 0.82 C ATOM 0 H LEU A 37 64.449 39.829-113.047 1.00 0.59 H new ATOM 0 HA LEU A 37 64.753 37.196-111.633 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.739 37.949-114.411 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.550 36.343-113.736 1.00 0.53 H new ATOM 0 HG LEU A 37 62.994 37.165-113.448 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.348 38.553-115.397 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.471 39.433-114.333 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.061 38.715-115.851 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.537 36.070-115.632 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.251 36.248-116.079 1.00 0.82 H new ATOM 0 HD23 LEU A 37 63.790 35.185-114.728 1.00 0.82 H new ATOM 372 N PRO A 38 67.358 37.473-111.426 1.00 0.57 N ATOM 373 CA PRO A 38 68.762 37.827-111.106 1.00 0.66 C ATOM 374 C PRO A 38 69.438 38.464-112.314 1.00 0.58 C ATOM 375 O PRO A 38 69.168 38.089-113.428 1.00 0.52 O ATOM 376 CB PRO A 38 69.383 36.466-110.795 1.00 0.81 C ATOM 377 CG PRO A 38 68.246 35.444-110.634 1.00 0.82 C ATOM 378 CD PRO A 38 66.926 36.098-111.072 1.00 0.69 C ATOM 0 HA PRO A 38 68.860 38.546-110.293 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.056 36.163-111.597 1.00 0.81 H new ATOM 0 HB3 PRO A 38 69.978 36.519-109.883 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.447 34.558-111.237 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.178 35.115-109.597 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.478 35.581-111.921 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.186 36.097-110.271 1.00 0.69 H new ATOM 386 N PRO A 39 70.302 39.413-112.113 1.00 0.62 N ATOM 387 CA PRO A 39 70.985 40.065-113.256 1.00 0.60 C ATOM 388 C PRO A 39 71.568 39.024-114.213 1.00 0.53 C ATOM 389 O PRO A 39 71.336 39.049-115.395 1.00 0.51 O ATOM 390 CB PRO A 39 72.088 40.868-112.562 1.00 0.74 C ATOM 391 CG PRO A 39 71.846 40.825-111.044 1.00 0.81 C ATOM 392 CD PRO A 39 70.664 39.893-110.757 1.00 0.74 C ATOM 0 HA PRO A 39 70.326 40.677-113.871 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.066 40.451-112.801 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.085 41.899-112.916 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.739 40.471-110.530 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.637 41.826-110.667 1.00 0.81 H new ATOM 0 HD2 PRO A 39 70.944 39.072-110.097 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.838 40.419-110.278 1.00 0.74 H new ATOM 400 N VAL A 40 72.359 38.142-113.691 1.00 0.52 N ATOM 401 CA VAL A 40 73.017 37.106-114.534 1.00 0.47 C ATOM 402 C VAL A 40 71.971 36.435-115.422 1.00 0.41 C ATOM 403 O VAL A 40 72.081 36.400-116.643 1.00 0.37 O ATOM 404 CB VAL A 40 73.653 36.058-113.612 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.617 35.001-113.218 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.828 35.386-114.327 1.00 0.50 C ATOM 0 H VAL A 40 72.585 38.090-112.698 1.00 0.52 H new ATOM 0 HA VAL A 40 73.781 37.564-115.162 1.00 0.47 H new ATOM 0 HB VAL A 40 74.013 36.554-112.710 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.081 34.263-112.564 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.789 35.480-112.695 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.243 34.507-114.114 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.277 34.642-113.669 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.471 34.899-115.235 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.573 36.137-114.587 1.00 0.50 H new ATOM 416 N ARG A 41 70.940 35.931-114.827 1.00 0.42 N ATOM 417 CA ARG A 41 69.869 35.284-115.621 1.00 0.40 C ATOM 418 C ARG A 41 69.130 36.370-116.379 1.00 0.34 C ATOM 419 O ARG A 41 68.482 36.123-117.378 1.00 0.30 O ATOM 420 CB ARG A 41 68.898 34.558-114.687 1.00 0.46 C ATOM 421 CG ARG A 41 67.854 33.810-115.517 1.00 0.87 C ATOM 422 CD ARG A 41 66.703 33.366-114.613 1.00 1.00 C ATOM 423 NE ARG A 41 66.994 32.010-114.069 1.00 1.53 N ATOM 424 CZ ARG A 41 66.311 31.554-113.054 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.374 32.285-112.516 1.00 2.54 N ATOM 426 NH2 ARG A 41 66.567 30.367-112.577 1.00 3.12 N ATOM 0 H ARG A 41 70.789 35.938-113.818 1.00 0.42 H new ATOM 0 HA ARG A 41 70.296 34.558-116.313 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.442 33.859-114.052 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.408 35.274-114.027 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.478 34.453-116.312 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.309 32.943-115.996 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.572 34.077-113.797 1.00 1.00 H new ATOM 0 HD3 ARG A 41 65.769 33.351-115.175 1.00 1.00 H new ATOM 0 HE ARG A 41 67.727 31.438-114.489 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.175 33.213-112.888 1.00 2.54 H new ATOM 0 HH12 ARG A 41 64.841 31.928-111.723 1.00 2.54 H new ATOM 0 HH21 ARG A 41 67.300 29.796-112.997 1.00 3.12 H new ATOM 0 HH22 ARG A 41 66.034 30.010-111.784 1.00 3.12 H new ATOM 440 N LEU A 42 69.228 37.583-115.912 1.00 0.35 N ATOM 441 CA LEU A 42 68.535 38.688-116.610 1.00 0.30 C ATOM 442 C LEU A 42 69.344 39.065-117.839 1.00 0.31 C ATOM 443 O LEU A 42 68.809 39.535-118.817 1.00 0.49 O ATOM 444 CB LEU A 42 68.386 39.897-115.697 1.00 0.32 C ATOM 445 CG LEU A 42 67.232 40.749-116.220 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.920 40.254-115.615 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.457 42.210-115.829 1.00 0.60 C ATOM 0 H LEU A 42 69.756 37.851-115.082 1.00 0.35 H new ATOM 0 HA LEU A 42 67.536 38.361-116.900 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.190 39.579-114.673 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.309 40.476-115.679 1.00 0.32 H new ATOM 0 HG LEU A 42 67.184 40.669-117.306 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.095 40.862-115.988 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.760 39.213-115.896 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.967 40.334-114.529 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.633 42.818-116.203 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.506 42.293-114.743 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.393 42.563-116.262 1.00 0.60 H new ATOM 459 N ALA A 43 70.626 38.833-117.818 1.00 0.30 N ATOM 460 CA ALA A 43 71.447 39.137-119.008 1.00 0.30 C ATOM 461 C ALA A 43 71.169 38.016-119.991 1.00 0.29 C ATOM 462 O ALA A 43 71.154 38.191-121.185 1.00 0.28 O ATOM 463 CB ALA A 43 72.924 39.139-118.613 1.00 0.36 C ATOM 0 H ALA A 43 71.136 38.445-117.024 1.00 0.30 H new ATOM 0 HA ALA A 43 71.213 40.111-119.437 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.534 39.363-119.488 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.095 39.896-117.848 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.197 38.159-118.221 1.00 0.36 H new ATOM 469 N GLU A 44 70.927 36.854-119.465 1.00 0.30 N ATOM 470 CA GLU A 44 70.610 35.719-120.366 1.00 0.32 C ATOM 471 C GLU A 44 69.294 36.060-121.078 1.00 0.30 C ATOM 472 O GLU A 44 69.246 36.210-122.282 1.00 0.34 O ATOM 473 CB GLU A 44 70.451 34.432-119.555 1.00 0.37 C ATOM 474 CG GLU A 44 71.775 34.096-118.863 1.00 1.15 C ATOM 475 CD GLU A 44 71.551 32.971-117.850 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.403 32.624-117.624 1.00 2.80 O ATOM 477 OE2 GLU A 44 72.531 32.477-117.318 1.00 2.92 O ATOM 0 H GLU A 44 70.934 36.642-118.467 1.00 0.30 H new ATOM 0 HA GLU A 44 71.411 35.563-121.088 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.661 34.552-118.813 1.00 0.37 H new ATOM 0 HB3 GLU A 44 70.152 33.613-120.209 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.517 33.792-119.602 1.00 1.15 H new ATOM 0 HG3 GLU A 44 72.169 34.979-118.360 1.00 1.15 H new ATOM 484 N LEU A 45 68.227 36.173-120.334 1.00 0.28 N ATOM 485 CA LEU A 45 66.895 36.493-120.946 1.00 0.29 C ATOM 486 C LEU A 45 66.909 37.887-121.590 1.00 0.24 C ATOM 487 O LEU A 45 66.306 38.104-122.624 1.00 0.25 O ATOM 488 CB LEU A 45 65.819 36.452-119.857 1.00 0.34 C ATOM 489 CG LEU A 45 64.469 36.886-120.439 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.622 35.652-120.752 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.735 37.758-119.418 1.00 0.77 C ATOM 0 H LEU A 45 68.216 36.057-119.321 1.00 0.28 H new ATOM 0 HA LEU A 45 66.680 35.755-121.719 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.741 35.444-119.448 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.098 37.109-119.033 1.00 0.34 H new ATOM 0 HG LEU A 45 64.635 37.452-121.355 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.663 35.964-121.166 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.144 35.027-121.477 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.455 35.084-119.837 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.774 38.069-119.829 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.572 37.188-118.503 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.336 38.639-119.194 1.00 0.77 H new ATOM 503 N HIS A 46 67.597 38.830-121.008 1.00 0.21 N ATOM 504 CA HIS A 46 67.644 40.192-121.615 1.00 0.20 C ATOM 505 C HIS A 46 68.517 40.148-122.873 1.00 0.19 C ATOM 506 O HIS A 46 68.123 40.586-123.936 1.00 0.21 O ATOM 507 CB HIS A 46 68.242 41.185-120.615 1.00 0.23 C ATOM 508 CG HIS A 46 68.213 42.570-121.202 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.190 43.467-121.390 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.355 43.192-121.681 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.686 44.626-121.977 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.994 44.409-122.130 1.00 0.31 N flip ATOM 0 H HIS A 46 68.126 38.719-120.143 1.00 0.21 H new ATOM 0 HA HIS A 46 66.634 40.510-121.875 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.678 41.162-119.683 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.267 40.902-120.375 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.215 43.307-121.137 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.352 42.777-121.692 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.132 45.512-122.250 1.00 0.35 H new ATOM 520 N ALA A 47 69.700 39.617-122.749 1.00 0.19 N ATOM 521 CA ALA A 47 70.624 39.526-123.913 1.00 0.22 C ATOM 522 C ALA A 47 69.921 38.823-125.068 1.00 0.21 C ATOM 523 O ALA A 47 69.769 39.366-126.144 1.00 0.22 O ATOM 524 CB ALA A 47 71.860 38.716-123.512 1.00 0.27 C ATOM 0 H ALA A 47 70.071 39.237-121.878 1.00 0.19 H new ATOM 0 HA ALA A 47 70.920 40.529-124.221 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.540 38.646-124.361 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.365 39.210-122.682 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.556 37.715-123.207 1.00 0.27 H new ATOM 530 N ASP A 48 69.483 37.619-124.848 1.00 0.22 N ATOM 531 CA ASP A 48 68.782 36.877-125.932 1.00 0.25 C ATOM 532 C ASP A 48 67.594 37.712-126.396 1.00 0.22 C ATOM 533 O ASP A 48 67.390 37.928-127.575 1.00 0.25 O ATOM 534 CB ASP A 48 68.289 35.529-125.401 1.00 0.28 C ATOM 535 CG ASP A 48 69.488 34.628-125.106 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.605 35.071-125.317 1.00 0.94 O ATOM 537 OD2 ASP A 48 69.271 33.508-124.673 1.00 0.84 O ATOM 0 H ASP A 48 69.579 37.115-123.966 1.00 0.22 H new ATOM 0 HA ASP A 48 69.463 36.699-126.764 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.700 35.676-124.496 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.636 35.055-126.133 1.00 0.28 H new ATOM 542 N LEU A 49 66.815 38.197-125.472 1.00 0.19 N ATOM 543 CA LEU A 49 65.650 39.032-125.862 1.00 0.19 C ATOM 544 C LEU A 49 66.130 40.091-126.855 1.00 0.18 C ATOM 545 O LEU A 49 65.472 40.381-127.836 1.00 0.19 O ATOM 546 CB LEU A 49 65.054 39.704-124.623 1.00 0.18 C ATOM 547 CG LEU A 49 63.978 38.796-124.023 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.361 39.474-122.799 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.886 38.539-125.066 1.00 0.89 C ATOM 0 H LEU A 49 66.934 38.052-124.469 1.00 0.19 H new ATOM 0 HA LEU A 49 64.880 38.413-126.322 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.836 39.896-123.888 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.624 40.669-124.890 1.00 0.18 H new ATOM 0 HG LEU A 49 64.428 37.849-123.726 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.595 38.827-122.372 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.136 39.658-122.055 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.911 40.422-123.096 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.120 37.892-124.639 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.437 39.487-125.363 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.324 38.055-125.939 1.00 0.89 H new ATOM 561 N LYS A 50 67.287 40.658-126.625 1.00 0.20 N ATOM 562 CA LYS A 50 67.805 41.678-127.577 1.00 0.21 C ATOM 563 C LYS A 50 68.159 40.983-128.889 1.00 0.23 C ATOM 564 O LYS A 50 67.655 41.321-129.935 1.00 0.24 O ATOM 565 CB LYS A 50 69.057 42.342-126.998 1.00 0.24 C ATOM 566 CG LYS A 50 68.766 42.847-125.584 1.00 0.36 C ATOM 567 CD LYS A 50 69.302 44.272-125.425 1.00 0.84 C ATOM 568 CE LYS A 50 70.820 44.230-125.249 1.00 1.09 C ATOM 569 NZ LYS A 50 71.445 45.328-126.039 1.00 1.84 N ATOM 0 H LYS A 50 67.889 40.459-125.826 1.00 0.20 H new ATOM 0 HA LYS A 50 67.047 42.442-127.748 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.882 41.630-126.977 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.368 43.171-127.634 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.693 42.829-125.394 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.231 42.189-124.850 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.043 44.869-126.300 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.839 44.752-124.563 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.077 44.335-124.195 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.208 43.266-125.577 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.478 45.298-125.918 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.210 45.209-127.045 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.084 46.245-125.706 1.00 1.84 H new ATOM 583 N ILE A 51 69.021 40.012-128.842 1.00 0.25 N ATOM 584 CA ILE A 51 69.384 39.319-130.108 1.00 0.27 C ATOM 585 C ILE A 51 68.082 39.082-130.869 1.00 0.26 C ATOM 586 O ILE A 51 67.867 39.600-131.963 1.00 0.25 O ATOM 587 CB ILE A 51 70.055 37.979-129.801 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.546 38.206-129.554 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.872 37.031-130.986 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.725 39.135-128.354 1.00 0.30 C ATOM 0 H ILE A 51 69.484 39.671-128.000 1.00 0.25 H new ATOM 0 HA ILE A 51 70.081 39.918-130.694 1.00 0.27 H new ATOM 0 HB ILE A 51 69.600 37.538-128.914 1.00 0.33 H new ATOM 0 HG12 ILE A 51 72.044 37.254-129.369 1.00 0.36 H new ATOM 0 HG13 ILE A 51 72.010 38.642-130.438 1.00 0.36 H new ATOM 0 HG21 ILE A 51 70.351 36.077-130.766 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.808 36.871-131.163 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.326 37.468-131.875 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.788 39.298-128.176 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.240 40.090-128.558 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.275 38.680-127.472 1.00 0.30 H new ATOM 602 N GLN A 52 67.178 38.346-130.285 1.00 0.26 N ATOM 603 CA GLN A 52 65.883 38.129-130.957 1.00 0.27 C ATOM 604 C GLN A 52 65.300 39.497-131.286 1.00 0.24 C ATOM 605 O GLN A 52 64.563 39.649-132.230 1.00 0.26 O ATOM 606 CB GLN A 52 64.936 37.370-130.025 1.00 0.32 C ATOM 607 CG GLN A 52 63.882 36.636-130.855 1.00 0.45 C ATOM 608 CD GLN A 52 64.514 35.404-131.504 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.284 35.155-132.763 1.00 1.00 O flip ATOM 610 NE2 GLN A 52 65.227 34.662-130.858 1.00 0.48 N flip ATOM 0 H GLN A 52 67.285 37.892-129.378 1.00 0.26 H new ATOM 0 HA GLN A 52 66.015 37.541-131.865 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.498 36.658-129.420 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.454 38.063-129.336 1.00 0.32 H new ATOM 0 HG2 GLN A 52 63.047 36.339-130.221 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.480 37.299-131.622 1.00 0.45 H new ATOM 0 HE21 GLN A 52 65.407 34.857-129.873 1.00 0.48 H new ATOM 0 HE22 GLN A 52 65.646 33.844-131.301 1.00 0.48 H new ATOM 619 N GLU A 53 65.634 40.504-130.512 1.00 0.23 N ATOM 620 CA GLU A 53 65.095 41.858-130.807 1.00 0.23 C ATOM 621 C GLU A 53 65.695 42.371-132.110 1.00 0.20 C ATOM 622 O GLU A 53 64.986 42.772-133.000 1.00 0.21 O ATOM 623 CB GLU A 53 65.432 42.840-129.692 1.00 0.25 C ATOM 624 CG GLU A 53 64.689 44.149-129.961 1.00 0.28 C ATOM 625 CD GLU A 53 65.695 45.242-130.331 1.00 0.33 C ATOM 626 OE1 GLU A 53 66.768 44.899-130.799 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.374 46.404-130.142 1.00 1.09 O ATOM 0 H GLU A 53 66.249 40.443-129.700 1.00 0.23 H new ATOM 0 HA GLU A 53 64.011 41.780-130.890 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.141 42.430-128.725 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.507 43.015-129.653 1.00 0.25 H new ATOM 0 HG2 GLU A 53 63.971 44.012-130.770 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.122 44.446-129.078 1.00 0.28 H new ATOM 634 N ARG A 54 66.992 42.352-132.256 1.00 0.22 N ATOM 635 CA ARG A 54 67.581 42.831-133.531 1.00 0.22 C ATOM 636 C ARG A 54 66.879 42.117-134.668 1.00 0.20 C ATOM 637 O ARG A 54 66.676 42.654-135.743 1.00 0.21 O ATOM 638 CB ARG A 54 69.063 42.472-133.561 1.00 0.24 C ATOM 639 CG ARG A 54 69.841 43.451-132.688 1.00 0.27 C ATOM 640 CD ARG A 54 71.293 43.522-133.163 1.00 0.85 C ATOM 641 NE ARG A 54 71.324 43.798-134.626 1.00 1.55 N ATOM 642 CZ ARG A 54 72.432 44.190-135.194 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.513 44.338-134.478 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.458 44.431-136.476 1.00 3.03 N ATOM 0 H ARG A 54 67.659 42.029-131.555 1.00 0.22 H new ATOM 0 HA ARG A 54 67.464 43.911-133.624 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.209 41.453-133.202 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.436 42.506-134.585 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.384 44.439-132.736 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.804 43.133-131.646 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.826 44.305-132.623 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.803 42.583-132.948 1.00 0.85 H new ATOM 0 HE ARG A 54 70.479 43.681-135.185 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.491 44.147-133.476 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.380 44.644-134.920 1.00 2.40 H new ATOM 0 HH21 ARG A 54 71.613 44.313-137.034 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.324 44.737-136.920 1.00 3.03 H new ATOM 658 N ASP A 55 66.469 40.912-134.412 1.00 0.20 N ATOM 659 CA ASP A 55 65.740 40.143-135.457 1.00 0.21 C ATOM 660 C ASP A 55 64.265 40.565-135.466 1.00 0.21 C ATOM 661 O ASP A 55 63.625 40.628-136.505 1.00 0.20 O ATOM 662 CB ASP A 55 65.842 38.647-135.153 1.00 0.25 C ATOM 663 CG ASP A 55 67.301 38.202-135.259 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.092 38.957-135.800 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.603 37.113-134.797 1.00 0.94 O ATOM 0 H ASP A 55 66.605 40.424-133.527 1.00 0.20 H new ATOM 0 HA ASP A 55 66.181 40.346-136.433 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.460 38.442-134.153 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.226 38.081-135.852 1.00 0.25 H new ATOM 670 N GLU A 56 63.721 40.891-134.324 1.00 0.27 N ATOM 671 CA GLU A 56 62.302 41.323-134.280 1.00 0.32 C ATOM 672 C GLU A 56 62.189 42.691-134.925 1.00 0.30 C ATOM 673 O GLU A 56 61.395 42.897-135.816 1.00 0.31 O ATOM 674 CB GLU A 56 61.825 41.388-132.832 1.00 0.39 C ATOM 675 CG GLU A 56 62.043 40.031-132.161 1.00 0.44 C ATOM 676 CD GLU A 56 60.693 39.431-131.767 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.778 39.501-132.571 1.00 1.39 O ATOM 678 OE2 GLU A 56 60.595 38.912-130.667 1.00 1.72 O ATOM 0 H GLU A 56 64.200 40.876-133.424 1.00 0.27 H new ATOM 0 HA GLU A 56 61.680 40.609-134.820 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.369 42.164-132.293 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.769 41.657-132.798 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.567 39.358-132.840 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.672 40.147-131.279 1.00 0.44 H new ATOM 685 N LEU A 57 63.003 43.620-134.518 1.00 0.30 N ATOM 686 CA LEU A 57 62.957 44.953-135.159 1.00 0.32 C ATOM 687 C LEU A 57 63.246 44.748-136.642 1.00 0.28 C ATOM 688 O LEU A 57 62.509 45.192-137.498 1.00 0.29 O ATOM 689 CB LEU A 57 64.023 45.870-134.553 1.00 0.36 C ATOM 690 CG LEU A 57 63.889 45.882-133.030 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.539 47.147-132.465 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.408 45.858-132.649 1.00 1.22 C ATOM 0 H LEU A 57 63.693 43.513-133.774 1.00 0.30 H new ATOM 0 HA LEU A 57 61.982 45.417-135.006 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.017 45.525-134.837 1.00 0.36 H new ATOM 0 HB3 LEU A 57 63.912 46.881-134.945 1.00 0.36 H new ATOM 0 HG LEU A 57 64.387 45.005-132.617 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.442 47.152-131.379 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.595 47.165-132.735 1.00 1.08 H new ATOM 0 HD13 LEU A 57 64.044 48.026-132.878 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.311 45.867-131.563 1.00 1.22 H new ATOM 0 HD22 LEU A 57 61.911 46.735-133.064 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.944 44.956-133.047 1.00 1.22 H new ATOM 704 N ALA A 58 64.302 44.041-136.959 1.00 0.25 N ATOM 705 CA ALA A 58 64.598 43.785-138.390 1.00 0.24 C ATOM 706 C ALA A 58 63.327 43.238-139.035 1.00 0.21 C ATOM 707 O ALA A 58 63.083 43.411-140.215 1.00 0.21 O ATOM 708 CB ALA A 58 65.725 42.754-138.510 1.00 0.24 C ATOM 0 H ALA A 58 64.961 43.637-136.294 1.00 0.25 H new ATOM 0 HA ALA A 58 64.915 44.703-138.886 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.939 42.569-139.563 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.621 43.135-138.019 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.419 41.823-138.033 1.00 0.24 H new ATOM 714 N TRP A 59 62.496 42.601-138.252 1.00 0.19 N ATOM 715 CA TRP A 59 61.228 42.071-138.820 1.00 0.18 C ATOM 716 C TRP A 59 60.180 43.191-138.906 1.00 0.20 C ATOM 717 O TRP A 59 59.582 43.407-139.941 1.00 0.30 O ATOM 718 CB TRP A 59 60.675 40.935-137.967 1.00 0.19 C ATOM 719 CG TRP A 59 59.461 40.410-138.657 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.469 39.477-139.633 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.072 40.790-138.463 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.177 39.262-140.062 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.273 40.047-139.365 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.434 41.697-137.601 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.888 40.202-139.408 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.040 41.854-137.640 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.269 41.109-138.542 1.00 0.39 C ATOM 0 H TRP A 59 62.640 42.428-137.257 1.00 0.19 H new ATOM 0 HA TRP A 59 61.444 41.688-139.817 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.419 40.148-137.847 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.425 41.292-136.968 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.347 38.979-140.016 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.919 38.607-140.800 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.020 42.277-136.904 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.298 39.626-140.105 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.559 42.553-136.971 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.197 41.235-138.569 1.00 0.39 H new ATOM 738 N LYS A 60 59.952 43.911-137.835 1.00 0.27 N ATOM 739 CA LYS A 60 58.941 45.006-137.905 1.00 0.30 C ATOM 740 C LYS A 60 59.195 45.755-139.211 1.00 0.29 C ATOM 741 O LYS A 60 58.289 46.143-139.923 1.00 0.31 O ATOM 742 CB LYS A 60 59.090 45.958-136.714 1.00 0.38 C ATOM 743 CG LYS A 60 60.158 47.012-137.020 1.00 0.42 C ATOM 744 CD LYS A 60 60.580 47.705-135.723 1.00 1.08 C ATOM 745 CE LYS A 60 59.656 48.894-135.455 1.00 1.53 C ATOM 746 NZ LYS A 60 60.205 49.708-134.333 1.00 2.27 N ATOM 0 H LYS A 60 60.413 43.791-136.933 1.00 0.27 H new ATOM 0 HA LYS A 60 57.930 44.600-137.872 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.137 46.444-136.504 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.366 45.397-135.821 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.022 46.543-137.492 1.00 0.42 H new ATOM 0 HG3 LYS A 60 59.768 47.745-137.726 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.535 47.002-134.891 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.613 48.044-135.799 1.00 1.08 H new ATOM 0 HE2 LYS A 60 59.565 49.507-136.352 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.655 48.541-135.207 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 60.050 50.718-134.529 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.724 49.449-133.448 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 61.225 49.526-134.239 1.00 2.27 H new ATOM 760 N LYS A 61 60.443 45.925-139.537 1.00 0.28 N ATOM 761 CA LYS A 61 60.788 46.607-140.807 1.00 0.30 C ATOM 762 C LYS A 61 60.432 45.666-141.958 1.00 0.27 C ATOM 763 O LYS A 61 59.790 46.052-142.904 1.00 0.35 O ATOM 764 CB LYS A 61 62.280 46.933-140.847 1.00 0.35 C ATOM 765 CG LYS A 61 62.701 47.568-139.519 1.00 0.40 C ATOM 766 CD LYS A 61 63.773 48.628-139.778 1.00 0.77 C ATOM 767 CE LYS A 61 65.029 47.958-140.339 1.00 1.42 C ATOM 768 NZ LYS A 61 66.182 48.894-140.230 1.00 2.43 N ATOM 0 H LYS A 61 61.239 45.620-138.977 1.00 0.28 H new ATOM 0 HA LYS A 61 60.234 47.542-140.891 1.00 0.30 H new ATOM 0 HB2 LYS A 61 62.856 46.026-141.027 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.492 47.614-141.671 1.00 0.35 H new ATOM 0 HG2 LYS A 61 61.838 48.020-139.030 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.086 46.804-138.844 1.00 0.40 H new ATOM 0 HD2 LYS A 61 63.400 49.373-140.481 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.011 49.154-138.853 1.00 0.77 H new ATOM 0 HE2 LYS A 61 65.240 47.039-139.791 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.871 47.679-141.381 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 67.036 48.439-140.611 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 65.980 49.759-140.771 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.337 49.139-139.231 1.00 2.43 H new ATOM 782 N LEU A 62 60.840 44.427-141.883 1.00 0.24 N ATOM 783 CA LEU A 62 60.505 43.483-142.984 1.00 0.24 C ATOM 784 C LEU A 62 59.039 43.671-143.347 1.00 0.24 C ATOM 785 O LEU A 62 58.694 44.034-144.454 1.00 0.26 O ATOM 786 CB LEU A 62 60.690 42.042-142.508 1.00 0.24 C ATOM 787 CG LEU A 62 62.148 41.612-142.660 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.437 40.470-141.688 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.387 41.127-144.089 1.00 0.41 C ATOM 0 H LEU A 62 61.384 44.033-141.116 1.00 0.24 H new ATOM 0 HA LEU A 62 61.154 43.677-143.838 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.386 41.955-141.465 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.046 41.377-143.084 1.00 0.24 H new ATOM 0 HG LEU A 62 62.804 42.456-142.445 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.476 40.158-141.792 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.259 40.808-140.667 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.782 39.628-141.911 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.427 40.820-144.200 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.734 40.280-144.300 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.171 41.935-144.788 1.00 0.41 H new ATOM 801 N LYS A 63 58.177 43.397-142.414 1.00 0.24 N ATOM 802 CA LYS A 63 56.716 43.523-142.680 1.00 0.26 C ATOM 803 C LYS A 63 56.385 44.941-143.151 1.00 0.29 C ATOM 804 O LYS A 63 55.556 45.135-144.016 1.00 0.30 O ATOM 805 CB LYS A 63 55.927 43.218-141.401 1.00 0.34 C ATOM 806 CG LYS A 63 55.839 44.479-140.538 1.00 0.46 C ATOM 807 CD LYS A 63 55.034 44.183-139.273 1.00 0.41 C ATOM 808 CE LYS A 63 54.024 45.307-139.034 1.00 0.58 C ATOM 809 NZ LYS A 63 53.162 45.465-140.240 1.00 1.20 N ATOM 0 H LYS A 63 58.420 43.089-141.472 1.00 0.24 H new ATOM 0 HA LYS A 63 56.440 42.812-143.459 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.926 42.868-141.654 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.413 42.417-140.844 1.00 0.34 H new ATOM 0 HG2 LYS A 63 56.840 44.820-140.272 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.367 45.284-141.101 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.515 43.230-139.374 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.703 44.093-138.417 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.410 45.080-138.162 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.546 46.240-138.822 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.184 45.658-139.945 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.513 46.257-140.816 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.187 44.590-140.802 1.00 1.20 H new ATOM 823 N LEU A 64 57.012 45.940-142.585 1.00 0.33 N ATOM 824 CA LEU A 64 56.720 47.345-142.993 1.00 0.43 C ATOM 825 C LEU A 64 57.153 47.599-144.440 1.00 0.52 C ATOM 826 O LEU A 64 56.388 48.077-145.255 1.00 0.75 O ATOM 827 CB LEU A 64 57.493 48.276-142.056 1.00 0.38 C ATOM 828 CG LEU A 64 56.646 48.576-140.819 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.521 49.222-139.744 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.515 49.535-141.198 1.00 1.23 C ATOM 0 H LEU A 64 57.717 45.841-141.854 1.00 0.33 H new ATOM 0 HA LEU A 64 55.647 47.528-142.929 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.434 47.812-141.761 1.00 0.38 H new ATOM 0 HB3 LEU A 64 57.742 49.203-142.572 1.00 0.38 H new ATOM 0 HG LEU A 64 56.224 47.648-140.434 1.00 0.50 H new ATOM 0 HD11 LEU A 64 56.916 49.436-138.863 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.328 48.541-139.474 1.00 1.10 H new ATOM 0 HD13 LEU A 64 57.943 50.151-140.128 1.00 1.10 H new ATOM 0 HD21 LEU A 64 54.910 49.750-140.317 1.00 1.23 H new ATOM 0 HD22 LEU A 64 55.938 50.463-141.583 1.00 1.23 H new ATOM 0 HD23 LEU A 64 54.890 49.076-141.964 1.00 1.23 H new ATOM 842 N ASP A 65 58.374 47.297-144.755 1.00 0.45 N ATOM 843 CA ASP A 65 58.878 47.530-146.136 1.00 0.60 C ATOM 844 C ASP A 65 58.292 46.490-147.092 1.00 0.96 C ATOM 845 O ASP A 65 58.483 46.568-148.290 1.00 0.98 O ATOM 846 CB ASP A 65 60.404 47.422-146.143 1.00 0.53 C ATOM 847 CG ASP A 65 61.004 48.631-145.421 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.266 49.569-145.165 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.189 48.597-145.135 1.00 1.14 O ATOM 0 H ASP A 65 59.055 46.894-144.111 1.00 0.45 H new ATOM 0 HA ASP A 65 58.576 48.525-146.463 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.716 46.500-145.652 1.00 0.53 H new ATOM 0 HB3 ASP A 65 60.772 47.378-147.168 1.00 0.53 H new ATOM 854 N GLY A 66 57.580 45.518-146.589 1.00 1.30 N ATOM 855 CA GLY A 66 56.994 44.492-147.494 1.00 1.72 C ATOM 856 C GLY A 66 58.074 43.490-147.907 1.00 0.91 C ATOM 857 O GLY A 66 58.366 43.331-149.075 1.00 1.14 O ATOM 0 H GLY A 66 57.380 45.391-145.597 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.177 43.974-146.991 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.572 44.971-148.377 1.00 1.72 H new ATOM 861 N LEU A 67 58.668 42.809-146.964 1.00 0.37 N ATOM 862 CA LEU A 67 59.720 41.821-147.323 1.00 1.03 C ATOM 863 C LEU A 67 59.199 40.408-147.069 1.00 0.91 C ATOM 864 O LEU A 67 59.413 39.510-147.859 1.00 1.09 O ATOM 865 CB LEU A 67 60.967 42.072-146.481 1.00 1.69 C ATOM 866 CG LEU A 67 61.773 43.220-147.090 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.367 42.774-148.427 1.00 2.52 C ATOM 868 CD2 LEU A 67 60.855 44.424-147.319 1.00 2.68 C ATOM 0 H LEU A 67 58.470 42.895-145.967 1.00 0.37 H new ATOM 0 HA LEU A 67 59.974 41.927-148.378 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.684 42.316-145.457 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.576 41.169-146.437 1.00 1.69 H new ATOM 0 HG LEU A 67 62.577 43.499-146.409 1.00 1.79 H new ATOM 0 HD11 LEU A 67 62.941 43.592-148.861 1.00 2.52 H new ATOM 0 HD12 LEU A 67 63.021 41.917-148.267 1.00 2.52 H new ATOM 0 HD13 LEU A 67 61.563 42.495-149.107 1.00 2.52 H new ATOM 0 HD21 LEU A 67 61.430 45.242-147.753 1.00 2.68 H new ATOM 0 HD22 LEU A 67 60.051 44.144-148.000 1.00 2.68 H new ATOM 0 HD23 LEU A 67 60.430 44.744-146.368 1.00 2.68 H new ATOM 880 N ASP A 68 58.462 40.210-146.010 1.00 0.69 N ATOM 881 CA ASP A 68 57.861 38.874-145.740 1.00 0.59 C ATOM 882 C ASP A 68 56.354 39.027-145.935 1.00 0.59 C ATOM 883 O ASP A 68 55.714 39.722-145.170 1.00 0.59 O ATOM 884 CB ASP A 68 58.161 38.453-144.293 1.00 0.53 C ATOM 885 CG ASP A 68 57.845 36.968-144.121 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.137 36.210-145.031 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.315 36.613-143.082 1.00 0.97 O ATOM 0 H ASP A 68 58.249 40.924-145.314 1.00 0.69 H new ATOM 0 HA ASP A 68 58.269 38.113-146.406 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.208 38.643-144.057 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.565 39.046-143.599 1.00 0.53 H new ATOM 892 N GLU A 69 55.746 38.428-146.926 1.00 0.63 N ATOM 893 CA GLU A 69 54.280 38.620-147.086 1.00 0.69 C ATOM 894 C GLU A 69 53.510 37.572-146.282 1.00 0.71 C ATOM 895 O GLU A 69 52.296 37.580-146.254 1.00 0.77 O ATOM 896 CB GLU A 69 53.911 38.493-148.566 1.00 0.73 C ATOM 897 CG GLU A 69 54.378 37.135-149.092 1.00 0.75 C ATOM 898 CD GLU A 69 54.251 37.106-150.617 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.745 38.070-151.167 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.662 36.121-151.208 1.00 1.82 O ATOM 0 H GLU A 69 56.193 37.826-147.618 1.00 0.63 H new ATOM 0 HA GLU A 69 54.014 39.611-146.718 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.833 38.593-148.693 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.376 39.296-149.138 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.413 36.956-148.799 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.780 36.337-148.652 1.00 0.75 H new ATOM 907 N ASP A 70 54.187 36.669-145.625 1.00 0.72 N ATOM 908 CA ASP A 70 53.462 35.639-144.831 1.00 0.78 C ATOM 909 C ASP A 70 53.877 35.770-143.367 1.00 0.69 C ATOM 910 O ASP A 70 53.410 35.049-142.506 1.00 0.84 O ATOM 911 CB ASP A 70 53.823 34.245-145.345 1.00 0.83 C ATOM 912 CG ASP A 70 53.406 34.116-146.811 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.528 34.856-147.223 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.972 33.280-147.496 1.00 1.34 O ATOM 0 H ASP A 70 55.205 36.601-145.604 1.00 0.72 H new ATOM 0 HA ASP A 70 52.386 35.784-144.927 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.895 34.076-145.245 1.00 0.83 H new ATOM 0 HB3 ASP A 70 53.323 33.484-144.746 1.00 0.83 H new ATOM 919 N GLY A 71 54.741 36.703-143.081 1.00 0.50 N ATOM 920 CA GLY A 71 55.188 36.916-141.679 1.00 0.43 C ATOM 921 C GLY A 71 55.874 35.663-141.126 1.00 0.34 C ATOM 922 O GLY A 71 55.800 35.389-139.945 1.00 0.31 O ATOM 0 H GLY A 71 55.160 37.332-143.766 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.876 37.760-141.637 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.332 37.172-141.055 1.00 0.43 H new ATOM 926 N GLU A 72 56.558 34.902-141.942 1.00 0.36 N ATOM 927 CA GLU A 72 57.239 33.697-141.388 1.00 0.34 C ATOM 928 C GLU A 72 58.439 34.170-140.566 1.00 0.30 C ATOM 929 O GLU A 72 58.595 33.815-139.416 1.00 0.30 O ATOM 930 CB GLU A 72 57.717 32.804-142.534 1.00 0.40 C ATOM 931 CG GLU A 72 56.508 32.274-143.308 1.00 1.23 C ATOM 932 CD GLU A 72 56.971 31.701-144.649 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.292 32.484-145.526 1.00 2.68 O ATOM 934 OE2 GLU A 72 56.996 30.487-144.775 1.00 2.64 O ATOM 0 H GLU A 72 56.672 35.058-142.944 1.00 0.36 H new ATOM 0 HA GLU A 72 56.553 33.125-140.763 1.00 0.34 H new ATOM 0 HB2 GLU A 72 58.370 33.368-143.200 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.303 31.973-142.141 1.00 0.40 H new ATOM 0 HG2 GLU A 72 56.000 31.504-142.727 1.00 1.23 H new ATOM 0 HG3 GLU A 72 55.788 33.076-143.472 1.00 1.23 H new ATOM 941 N LYS A 73 59.280 34.985-141.141 1.00 0.31 N ATOM 942 CA LYS A 73 60.445 35.479-140.359 1.00 0.33 C ATOM 943 C LYS A 73 59.902 35.926-139.003 1.00 0.29 C ATOM 944 O LYS A 73 60.573 35.881-137.984 1.00 0.29 O ATOM 945 CB LYS A 73 61.146 36.641-141.071 1.00 0.38 C ATOM 946 CG LYS A 73 60.315 37.113-142.266 1.00 0.55 C ATOM 947 CD LYS A 73 60.778 36.378-143.528 1.00 1.07 C ATOM 948 CE LYS A 73 62.251 36.700-143.794 1.00 1.38 C ATOM 949 NZ LYS A 73 62.436 37.017-145.239 1.00 2.36 N ATOM 0 H LYS A 73 59.213 35.325-142.101 1.00 0.31 H new ATOM 0 HA LYS A 73 61.191 34.692-140.247 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.295 37.466-140.375 1.00 0.38 H new ATOM 0 HB3 LYS A 73 62.134 36.327-141.408 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.257 36.920-142.087 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.425 38.189-142.397 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.646 35.303-143.405 1.00 1.07 H new ATOM 0 HD3 LYS A 73 60.169 36.678-144.381 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.566 37.545-143.182 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.876 35.852-143.513 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.436 37.236-145.421 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.151 36.198-145.813 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 61.850 37.838-145.492 1.00 2.36 H new ATOM 963 N GLU A 74 58.645 36.266-138.980 1.00 0.28 N ATOM 964 CA GLU A 74 57.989 36.634-137.701 1.00 0.28 C ATOM 965 C GLU A 74 57.688 35.315-137.005 1.00 0.26 C ATOM 966 O GLU A 74 57.947 35.120-135.849 1.00 0.27 O ATOM 967 CB GLU A 74 56.679 37.363-137.991 1.00 0.31 C ATOM 968 CG GLU A 74 56.330 38.259-136.808 1.00 0.37 C ATOM 969 CD GLU A 74 54.841 38.125-136.482 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.099 37.706-137.355 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.469 38.443-135.365 1.00 1.14 O ATOM 0 H GLU A 74 58.041 36.304-139.801 1.00 0.28 H new ATOM 0 HA GLU A 74 58.616 37.286-137.093 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.774 37.959-138.898 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.879 36.643-138.165 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.929 37.982-135.940 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.569 39.296-137.042 1.00 0.37 H new ATOM 978 N ALA A 75 57.187 34.402-137.773 1.00 0.25 N ATOM 979 CA ALA A 75 56.906 33.050-137.225 1.00 0.27 C ATOM 980 C ALA A 75 58.163 32.654-136.475 1.00 0.26 C ATOM 981 O ALA A 75 58.162 32.507-135.272 1.00 0.27 O ATOM 982 CB ALA A 75 56.614 32.057-138.352 1.00 0.30 C ATOM 0 H ALA A 75 56.958 34.529-138.759 1.00 0.25 H new ATOM 0 HA ALA A 75 56.029 33.050-136.578 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.411 31.074-137.927 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.746 32.394-138.918 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.477 31.995-139.015 1.00 0.30 H new ATOM 988 N ARG A 76 59.238 32.492-137.178 1.00 0.28 N ATOM 989 CA ARG A 76 60.500 32.116-136.500 1.00 0.31 C ATOM 990 C ARG A 76 60.649 32.984-135.254 1.00 0.28 C ATOM 991 O ARG A 76 60.924 32.494-134.180 1.00 0.30 O ATOM 992 CB ARG A 76 61.687 32.344-137.439 1.00 0.35 C ATOM 993 CG ARG A 76 61.443 31.607-138.758 1.00 0.66 C ATOM 994 CD ARG A 76 61.709 30.113-138.565 1.00 1.00 C ATOM 995 NE ARG A 76 63.085 29.920-138.027 1.00 1.51 N ATOM 996 CZ ARG A 76 63.427 28.772-137.507 1.00 2.03 C ATOM 997 NH1 ARG A 76 62.564 27.795-137.460 1.00 2.34 N ATOM 998 NH2 ARG A 76 64.633 28.603-137.037 1.00 3.14 N ATOM 0 H ARG A 76 59.300 32.603-138.190 1.00 0.28 H new ATOM 0 HA ARG A 76 60.477 31.062-136.224 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.818 33.410-137.625 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.606 31.986-136.975 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.417 31.764-139.090 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.095 32.006-139.536 1.00 0.66 H new ATOM 0 HD2 ARG A 76 60.976 29.688-137.880 1.00 1.00 H new ATOM 0 HD3 ARG A 76 61.601 29.588-139.514 1.00 1.00 H new ATOM 0 HE ARG A 76 63.760 30.684-138.065 1.00 1.51 H new ATOM 0 HH11 ARG A 76 61.623 27.928-137.829 1.00 2.34 H new ATOM 0 HH12 ARG A 76 62.831 26.898-137.054 1.00 2.34 H new ATOM 0 HH21 ARG A 76 65.307 29.367-137.076 1.00 3.14 H new ATOM 0 HH22 ARG A 76 64.901 27.707-136.631 1.00 3.14 H new ATOM 1012 N LEU A 77 60.461 34.269-135.379 1.00 0.30 N ATOM 1013 CA LEU A 77 60.586 35.145-134.175 1.00 0.31 C ATOM 1014 C LEU A 77 59.641 34.647-133.080 1.00 0.29 C ATOM 1015 O LEU A 77 60.061 34.296-131.999 1.00 0.30 O ATOM 1016 CB LEU A 77 60.237 36.591-134.530 1.00 0.35 C ATOM 1017 CG LEU A 77 61.487 37.331-135.019 1.00 0.41 C ATOM 1018 CD1 LEU A 77 62.411 36.375-135.773 1.00 0.51 C ATOM 1019 CD2 LEU A 77 61.072 38.471-135.948 1.00 0.38 C ATOM 0 H LEU A 77 60.229 34.747-136.249 1.00 0.30 H new ATOM 0 HA LEU A 77 61.615 35.108-133.818 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.469 36.608-135.303 1.00 0.35 H new ATOM 0 HB3 LEU A 77 59.823 37.098-133.658 1.00 0.35 H new ATOM 0 HG LEU A 77 62.019 37.731-134.156 1.00 0.41 H new ATOM 0 HD11 LEU A 77 63.294 36.916-136.114 1.00 0.51 H new ATOM 0 HD12 LEU A 77 62.715 35.565-135.111 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.884 35.962-136.633 1.00 0.51 H new ATOM 0 HD21 LEU A 77 61.960 38.998-136.296 1.00 0.38 H new ATOM 0 HD22 LEU A 77 60.532 38.065-136.803 1.00 0.38 H new ATOM 0 HD23 LEU A 77 60.427 39.164-135.408 1.00 0.38 H new ATOM 1031 N ILE A 78 58.368 34.612-133.353 1.00 0.29 N ATOM 1032 CA ILE A 78 57.385 34.134-132.339 1.00 0.32 C ATOM 1033 C ILE A 78 57.843 32.796-131.777 1.00 0.30 C ATOM 1034 O ILE A 78 57.840 32.578-130.590 1.00 0.32 O ATOM 1035 CB ILE A 78 56.024 33.959-132.997 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.515 35.325-133.441 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.042 33.348-131.995 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.950 35.219-134.852 1.00 0.37 C ATOM 0 H ILE A 78 57.961 34.897-134.244 1.00 0.29 H new ATOM 0 HA ILE A 78 57.313 34.864-131.533 1.00 0.32 H new ATOM 0 HB ILE A 78 56.112 33.297-133.858 1.00 0.37 H new ATOM 0 HG12 ILE A 78 54.746 35.680-132.755 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.325 36.053-133.415 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.068 33.224-132.469 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.413 32.377-131.668 1.00 0.45 H new ATOM 0 HG23 ILE A 78 54.944 34.008-131.133 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.585 36.195-135.172 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.732 34.883-135.533 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.128 34.503-134.862 1.00 0.37 H new ATOM 1050 N ARG A 79 58.242 31.902-132.628 1.00 0.29 N ATOM 1051 CA ARG A 79 58.719 30.573-132.126 1.00 0.32 C ATOM 1052 C ARG A 79 59.977 30.789-131.274 1.00 0.26 C ATOM 1053 O ARG A 79 60.190 30.115-130.288 1.00 0.26 O ATOM 1054 CB ARG A 79 59.048 29.652-133.303 1.00 0.38 C ATOM 1055 CG ARG A 79 58.077 29.918-134.454 1.00 0.39 C ATOM 1056 CD ARG A 79 57.496 28.592-134.950 1.00 0.39 C ATOM 1057 NE ARG A 79 56.419 28.144-134.024 1.00 1.50 N ATOM 1058 CZ ARG A 79 55.587 27.208-134.396 1.00 2.14 C ATOM 1059 NH1 ARG A 79 55.700 26.668-135.579 1.00 2.28 N ATOM 1060 NH2 ARG A 79 54.644 26.815-133.586 1.00 3.27 N ATOM 0 H ARG A 79 58.262 32.023-133.641 1.00 0.29 H new ATOM 0 HA ARG A 79 57.936 30.108-131.526 1.00 0.32 H new ATOM 0 HB2 ARG A 79 60.073 29.820-133.633 1.00 0.38 H new ATOM 0 HB3 ARG A 79 58.981 28.610-132.991 1.00 0.38 H new ATOM 0 HG2 ARG A 79 57.275 30.577-134.122 1.00 0.39 H new ATOM 0 HG3 ARG A 79 58.592 30.428-135.268 1.00 0.39 H new ATOM 0 HD2 ARG A 79 57.097 28.712-135.957 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.280 27.837-135.005 1.00 0.39 H new ATOM 0 HE ARG A 79 56.331 28.568-133.100 1.00 1.50 H new ATOM 0 HH11 ARG A 79 56.438 26.977-136.212 1.00 2.28 H new ATOM 0 HH12 ARG A 79 55.051 25.937-135.870 1.00 2.28 H new ATOM 0 HH21 ARG A 79 54.556 27.238-132.662 1.00 3.27 H new ATOM 0 HH22 ARG A 79 53.994 26.084-133.876 1.00 3.27 H new ATOM 1074 N ASN A 80 60.804 31.733-131.643 1.00 0.23 N ATOM 1075 CA ASN A 80 62.040 32.001-130.846 1.00 0.21 C ATOM 1076 C ASN A 80 61.651 32.743-129.569 1.00 0.21 C ATOM 1077 O ASN A 80 62.342 32.697-128.569 1.00 0.22 O ATOM 1078 CB ASN A 80 63.007 32.857-131.666 1.00 0.23 C ATOM 1079 CG ASN A 80 63.169 32.250-133.061 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.060 30.959-133.214 1.00 1.06 O flip ATOM 1081 ND2 ASN A 80 63.398 32.959-134.021 1.00 1.15 N flip ATOM 0 H ASN A 80 60.678 32.330-132.461 1.00 0.23 H new ATOM 0 HA ASN A 80 62.528 31.060-130.593 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.631 33.877-131.743 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.974 32.911-131.167 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.483 33.968-133.901 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.505 32.545-134.947 1.00 1.15 H new ATOM 1088 N LEU A 81 60.507 33.363-129.578 1.00 0.23 N ATOM 1089 CA LEU A 81 60.025 34.044-128.352 1.00 0.28 C ATOM 1090 C LEU A 81 59.441 32.940-127.493 1.00 0.30 C ATOM 1091 O LEU A 81 59.830 32.721-126.369 1.00 0.31 O ATOM 1092 CB LEU A 81 58.944 35.068-128.704 1.00 0.35 C ATOM 1093 CG LEU A 81 59.601 36.400-129.069 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.522 37.415-129.453 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.388 36.925-127.866 1.00 1.26 C ATOM 0 H LEU A 81 59.885 33.427-130.384 1.00 0.23 H new ATOM 0 HA LEU A 81 60.823 34.583-127.842 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.343 34.706-129.539 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.268 35.203-127.860 1.00 0.35 H new ATOM 0 HG LEU A 81 60.277 36.253-129.912 1.00 0.44 H new ATOM 0 HD11 LEU A 81 58.991 38.364-129.713 1.00 1.28 H new ATOM 0 HD12 LEU A 81 57.959 37.042-130.309 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.846 37.563-128.611 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.857 37.874-128.124 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.711 37.072-127.024 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.157 36.203-127.591 1.00 1.26 H new ATOM 1107 N ASN A 82 58.537 32.210-128.069 1.00 0.35 N ATOM 1108 CA ASN A 82 57.922 31.061-127.377 1.00 0.42 C ATOM 1109 C ASN A 82 59.030 30.216-126.759 1.00 0.37 C ATOM 1110 O ASN A 82 59.076 30.010-125.563 1.00 0.38 O ATOM 1111 CB ASN A 82 57.147 30.251-128.425 1.00 0.51 C ATOM 1112 CG ASN A 82 55.723 30.797-128.545 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.377 31.457-129.616 1.00 1.27 O flip ATOM 1114 ND2 ASN A 82 54.916 30.621-127.653 1.00 0.98 N flip ATOM 0 H ASN A 82 58.192 32.369-129.016 1.00 0.35 H new ATOM 0 HA ASN A 82 57.245 31.383-126.586 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.652 30.308-129.389 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.121 29.199-128.140 1.00 0.51 H new ATOM 0 HD21 ASN A 82 55.186 30.105-126.816 1.00 0.98 H new ATOM 0 HD22 ASN A 82 53.969 30.989-127.742 1.00 0.98 H new ATOM 1121 N VAL A 83 59.937 29.740-127.562 1.00 0.35 N ATOM 1122 CA VAL A 83 61.054 28.928-127.013 1.00 0.36 C ATOM 1123 C VAL A 83 61.731 29.729-125.901 1.00 0.32 C ATOM 1124 O VAL A 83 61.898 29.257-124.799 1.00 0.35 O ATOM 1125 CB VAL A 83 62.064 28.630-128.123 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.105 27.633-127.613 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.334 28.031-129.328 1.00 0.44 C ATOM 0 H VAL A 83 59.953 29.878-128.573 1.00 0.35 H new ATOM 0 HA VAL A 83 60.676 27.985-126.617 1.00 0.36 H new ATOM 0 HB VAL A 83 62.561 29.554-128.419 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.824 27.421-128.404 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.625 28.057-126.754 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.609 26.709-127.317 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.052 27.818-130.120 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.838 27.107-129.030 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.591 28.740-129.693 1.00 0.44 H new ATOM 1137 N ILE A 84 62.121 30.941-126.187 1.00 0.27 N ATOM 1138 CA ILE A 84 62.783 31.762-125.138 1.00 0.30 C ATOM 1139 C ILE A 84 61.957 31.694-123.848 1.00 0.31 C ATOM 1140 O ILE A 84 62.470 31.411-122.781 1.00 0.37 O ATOM 1141 CB ILE A 84 62.888 33.208-125.603 1.00 0.34 C ATOM 1142 CG1 ILE A 84 64.065 33.329-126.569 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.124 34.118-124.396 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.859 34.537-127.473 1.00 0.37 C ATOM 0 H ILE A 84 62.011 31.394-127.094 1.00 0.27 H new ATOM 0 HA ILE A 84 63.785 31.375-124.953 1.00 0.30 H new ATOM 0 HB ILE A 84 61.965 33.505-126.101 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.997 33.433-126.013 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.151 32.423-127.169 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.199 35.153-124.730 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.292 34.021-123.699 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.050 33.829-123.898 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.699 34.623-128.162 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.936 34.414-128.040 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.794 35.439-126.865 1.00 0.37 H new ATOM 1156 N LEU A 85 60.681 31.961-123.937 1.00 0.35 N ATOM 1157 CA LEU A 85 59.822 31.923-122.718 1.00 0.42 C ATOM 1158 C LEU A 85 59.801 30.510-122.143 1.00 0.42 C ATOM 1159 O LEU A 85 59.813 30.321-120.947 1.00 0.47 O ATOM 1160 CB LEU A 85 58.400 32.353-123.079 1.00 0.54 C ATOM 1161 CG LEU A 85 58.293 33.874-122.982 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.290 34.293-121.511 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.494 34.512-123.684 1.00 0.61 C ATOM 0 H LEU A 85 60.197 32.204-124.801 1.00 0.35 H new ATOM 0 HA LEU A 85 60.228 32.606-121.972 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.153 32.023-124.088 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.683 31.883-122.406 1.00 0.54 H new ATOM 0 HG LEU A 85 57.370 34.204-123.458 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.214 35.378-121.442 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.440 33.836-121.004 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.215 33.963-121.037 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.420 35.597-123.617 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.415 34.180-123.204 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.503 34.213-124.732 1.00 0.61 H new ATOM 1175 N ALA A 86 59.776 29.514-122.980 1.00 0.47 N ATOM 1176 CA ALA A 86 59.768 28.117-122.468 1.00 0.58 C ATOM 1177 C ALA A 86 61.160 27.793-121.926 1.00 0.59 C ATOM 1178 O ALA A 86 61.355 26.846-121.190 1.00 0.73 O ATOM 1179 CB ALA A 86 59.424 27.157-123.609 1.00 0.64 C ATOM 0 H ALA A 86 59.761 29.606-123.996 1.00 0.47 H new ATOM 0 HA ALA A 86 59.025 28.010-121.678 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.418 26.134-123.234 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.440 27.403-124.007 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.169 27.250-124.399 1.00 0.64 H new ATOM 1185 N LYS A 87 62.130 28.579-122.304 1.00 0.50 N ATOM 1186 CA LYS A 87 63.528 28.348-121.847 1.00 0.60 C ATOM 1187 C LYS A 87 63.704 28.920-120.449 1.00 0.58 C ATOM 1188 O LYS A 87 64.302 28.311-119.585 1.00 0.71 O ATOM 1189 CB LYS A 87 64.473 29.069-122.796 1.00 0.61 C ATOM 1190 CG LYS A 87 65.847 28.396-122.768 1.00 0.82 C ATOM 1191 CD LYS A 87 66.758 29.049-123.809 1.00 0.99 C ATOM 1192 CE LYS A 87 66.078 29.011-125.179 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.116 28.995-126.248 1.00 2.02 N ATOM 0 H LYS A 87 62.010 29.383-122.920 1.00 0.50 H new ATOM 0 HA LYS A 87 63.743 27.279-121.835 1.00 0.60 H new ATOM 0 HB2 LYS A 87 64.070 29.052-123.809 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.565 30.116-122.507 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.288 28.487-121.775 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.746 27.331-122.975 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.971 30.080-123.526 1.00 0.99 H new ATOM 0 HD3 LYS A 87 67.713 28.526-123.851 1.00 0.99 H new ATOM 0 HE2 LYS A 87 65.445 28.127-125.258 1.00 1.63 H new ATOM 0 HE3 LYS A 87 65.430 29.879-125.299 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 66.655 28.969-127.180 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 67.702 29.851-126.176 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 67.717 28.154-126.136 1.00 2.02 H new ATOM 1207 N TYR A 88 63.164 30.079-120.215 1.00 0.45 N ATOM 1208 CA TYR A 88 63.281 30.674-118.861 1.00 0.47 C ATOM 1209 C TYR A 88 62.121 30.156-118.031 1.00 0.54 C ATOM 1210 O TYR A 88 62.180 30.069-116.821 1.00 0.58 O ATOM 1211 CB TYR A 88 63.235 32.199-118.957 1.00 0.44 C ATOM 1212 CG TYR A 88 64.517 32.680-119.592 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.661 32.860-118.805 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.567 32.930-120.968 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.854 33.294-119.394 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.760 33.362-121.558 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.904 33.544-120.771 1.00 0.61 C ATOM 1218 OH TYR A 88 68.080 33.968-121.353 1.00 0.73 O ATOM 0 H TYR A 88 62.650 30.636-120.897 1.00 0.45 H new ATOM 0 HA TYR A 88 64.228 30.397-118.397 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.377 32.515-119.550 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.116 32.637-117.966 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.623 32.664-117.744 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.685 32.789-121.575 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.736 33.436-118.787 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.799 33.555-122.620 1.00 0.62 H new ATOM 0 HH TYR A 88 67.942 34.094-122.315 1.00 0.73 H new ATOM 1228 N GLY A 89 61.057 29.823-118.694 1.00 0.59 N ATOM 1229 CA GLY A 89 59.858 29.316-117.977 1.00 0.69 C ATOM 1230 C GLY A 89 59.040 30.511-117.501 1.00 0.77 C ATOM 1231 O GLY A 89 58.544 30.540-116.392 1.00 1.09 O ATOM 0 H GLY A 89 60.963 29.880-119.708 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.261 28.686-118.636 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.156 28.699-117.129 1.00 0.69 H new ATOM 1235 N LEU A 90 58.889 31.496-118.341 1.00 0.65 N ATOM 1236 CA LEU A 90 58.099 32.694-117.964 1.00 0.75 C ATOM 1237 C LEU A 90 56.840 32.741-118.835 1.00 0.80 C ATOM 1238 O LEU A 90 56.124 33.722-118.863 1.00 1.31 O ATOM 1239 CB LEU A 90 58.941 33.941-118.224 1.00 0.82 C ATOM 1240 CG LEU A 90 58.872 34.864-117.014 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.765 36.081-117.259 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.427 35.320-116.812 1.00 1.68 C ATOM 0 H LEU A 90 59.284 31.520-119.281 1.00 0.65 H new ATOM 0 HA LEU A 90 57.821 32.652-116.911 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.975 33.659-118.421 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.577 34.460-119.111 1.00 0.82 H new ATOM 0 HG LEU A 90 59.214 34.336-116.124 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.720 36.745-116.396 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.793 35.753-117.411 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.419 36.613-118.145 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.372 35.981-115.947 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.087 35.854-117.699 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.791 34.451-116.645 1.00 1.68 H new ATOM 1254 N ASP A 91 56.578 31.686-119.555 1.00 0.77 N ATOM 1255 CA ASP A 91 55.380 31.657-120.442 1.00 0.87 C ATOM 1256 C ASP A 91 54.116 31.934-119.623 1.00 1.30 C ATOM 1257 O ASP A 91 53.012 31.738-120.088 1.00 1.70 O ATOM 1258 CB ASP A 91 55.273 30.279-121.098 1.00 1.04 C ATOM 1259 CG ASP A 91 56.639 29.863-121.644 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.617 30.036-120.933 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.686 29.378-122.762 1.00 0.84 O ATOM 0 H ASP A 91 57.145 30.838-119.568 1.00 0.77 H new ATOM 0 HA ASP A 91 55.481 32.424-121.210 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.922 29.546-120.372 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.540 30.305-121.905 1.00 1.04 H new ATOM 1266 N GLY A 92 54.265 32.392-118.409 1.00 1.77 N ATOM 1267 CA GLY A 92 53.068 32.685-117.570 1.00 2.22 C ATOM 1268 C GLY A 92 53.205 34.087-116.974 1.00 2.72 C ATOM 1269 O GLY A 92 54.253 34.696-117.039 1.00 3.30 O ATOM 0 H GLY A 92 55.164 32.576-117.963 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.162 32.619-118.172 1.00 2.22 H new ATOM 0 HA3 GLY A 92 52.976 31.946-116.774 1.00 2.22 H new ATOM 1273 N LYS A 93 52.157 34.609-116.396 1.00 3.13 N ATOM 1274 CA LYS A 93 52.242 35.973-115.801 1.00 3.96 C ATOM 1275 C LYS A 93 50.966 36.266-115.011 1.00 4.22 C ATOM 1276 O LYS A 93 50.194 37.137-115.360 1.00 4.63 O ATOM 1277 CB LYS A 93 52.395 37.005-116.921 1.00 4.60 C ATOM 1278 CG LYS A 93 51.302 36.787-117.968 1.00 4.79 C ATOM 1279 CD LYS A 93 51.605 37.629-119.209 1.00 5.91 C ATOM 1280 CE LYS A 93 50.299 37.971-119.927 1.00 6.60 C ATOM 1281 NZ LYS A 93 49.822 39.310-119.480 1.00 6.86 N ATOM 0 H LYS A 93 51.249 34.152-116.310 1.00 3.13 H new ATOM 0 HA LYS A 93 53.102 36.027-115.134 1.00 3.96 H new ATOM 0 HB2 LYS A 93 52.326 38.013-116.513 1.00 4.60 H new ATOM 0 HB3 LYS A 93 53.378 36.914-117.382 1.00 4.60 H new ATOM 0 HG2 LYS A 93 51.247 35.732-118.237 1.00 4.79 H new ATOM 0 HG3 LYS A 93 50.331 37.063-117.557 1.00 4.79 H new ATOM 0 HD2 LYS A 93 52.125 38.543-118.923 1.00 5.91 H new ATOM 0 HD3 LYS A 93 52.268 37.082-119.879 1.00 5.91 H new ATOM 0 HE2 LYS A 93 50.454 37.970-121.006 1.00 6.60 H new ATOM 0 HE3 LYS A 93 49.545 37.214-119.712 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 48.934 39.543-119.968 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 49.659 39.295-118.453 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 50.540 40.028-119.706 1.00 6.86 H new ATOM 1295 N LYS A 94 50.737 35.549-113.945 1.00 4.52 N ATOM 1296 CA LYS A 94 49.511 35.790-113.133 1.00 5.25 C ATOM 1297 C LYS A 94 49.890 35.903-111.655 1.00 5.64 C ATOM 1298 O LYS A 94 49.609 36.890-111.006 1.00 6.30 O ATOM 1299 CB LYS A 94 48.535 34.627-113.322 1.00 6.00 C ATOM 1300 CG LYS A 94 49.316 33.348-113.633 1.00 6.18 C ATOM 1301 CD LYS A 94 48.337 32.189-113.833 1.00 7.02 C ATOM 1302 CE LYS A 94 49.108 30.869-113.865 1.00 7.55 C ATOM 1303 NZ LYS A 94 48.152 29.732-113.747 1.00 7.75 N ATOM 0 H LYS A 94 51.346 34.807-113.601 1.00 4.52 H new ATOM 0 HA LYS A 94 49.038 36.717-113.458 1.00 5.25 H new ATOM 0 HB2 LYS A 94 47.937 34.490-112.421 1.00 6.00 H new ATOM 0 HB3 LYS A 94 47.842 34.849-114.134 1.00 6.00 H new ATOM 0 HG2 LYS A 94 49.920 33.487-114.530 1.00 6.18 H new ATOM 0 HG3 LYS A 94 50.003 33.121-112.818 1.00 6.18 H new ATOM 0 HD2 LYS A 94 47.604 32.175-113.026 1.00 7.02 H new ATOM 0 HD3 LYS A 94 47.784 32.322-114.763 1.00 7.02 H new ATOM 0 HE2 LYS A 94 49.673 30.788-114.794 1.00 7.55 H new ATOM 0 HE3 LYS A 94 49.830 30.837-113.049 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 48.676 28.834-113.769 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 47.632 29.808-112.850 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 47.480 29.760-114.540 1.00 7.75 H new ATOM 1317 N ASP A 95 50.529 34.899-111.119 1.00 5.55 N ATOM 1318 CA ASP A 95 50.928 34.950-109.685 1.00 6.18 C ATOM 1319 C ASP A 95 49.695 35.218-108.819 1.00 6.72 C ATOM 1320 O ASP A 95 48.636 34.666-109.041 1.00 7.02 O ATOM 1321 CB ASP A 95 51.949 36.071-109.478 1.00 6.12 C ATOM 1322 CG ASP A 95 52.537 35.975-108.069 1.00 6.05 C ATOM 1323 OD1 ASP A 95 52.142 35.077-107.344 1.00 6.23 O ATOM 1324 OD2 ASP A 95 53.373 36.800-107.740 1.00 6.22 O ATOM 0 H ASP A 95 50.792 34.046-111.613 1.00 5.55 H new ATOM 0 HA ASP A 95 51.372 33.996-109.399 1.00 6.18 H new ATOM 0 HB2 ASP A 95 52.743 35.995-110.221 1.00 6.12 H new ATOM 0 HB3 ASP A 95 51.473 37.041-109.619 1.00 6.12 H new ATOM 1329 N ALA A 96 49.825 36.064-107.833 1.00 7.12 N ATOM 1330 CA ALA A 96 48.660 36.368-106.953 1.00 7.86 C ATOM 1331 C ALA A 96 49.111 37.247-105.785 1.00 8.30 C ATOM 1332 O ALA A 96 50.091 37.961-105.873 1.00 8.93 O ATOM 1333 CB ALA A 96 48.078 35.059-106.413 1.00 8.22 C ATOM 0 H ALA A 96 50.687 36.557-107.599 1.00 7.12 H new ATOM 0 HA ALA A 96 47.900 36.897-107.528 1.00 7.86 H new ATOM 0 HB1 ALA A 96 47.226 35.278-105.769 1.00 8.22 H new ATOM 0 HB2 ALA A 96 47.753 34.435-107.245 1.00 8.22 H new ATOM 0 HB3 ALA A 96 48.840 34.531-105.839 1.00 8.22 H new ATOM 1339 N ARG A 97 48.403 37.200-104.690 1.00 8.23 N ATOM 1340 CA ARG A 97 48.787 38.031-103.514 1.00 8.95 C ATOM 1341 C ARG A 97 48.015 37.559-102.281 1.00 9.53 C ATOM 1342 O ARG A 97 48.585 37.038-101.342 1.00 9.76 O ATOM 1343 CB ARG A 97 48.450 39.498-103.795 1.00 8.85 C ATOM 1344 CG ARG A 97 48.774 40.343-102.563 1.00 8.58 C ATOM 1345 CD ARG A 97 50.289 40.380-102.352 1.00 8.65 C ATOM 1346 NE ARG A 97 50.681 39.314-101.387 1.00 9.34 N ATOM 1347 CZ ARG A 97 51.933 38.960-101.279 1.00 9.46 C ATOM 1348 NH1 ARG A 97 52.841 39.540-102.014 1.00 9.01 N ATOM 1349 NH2 ARG A 97 52.277 38.026-100.434 1.00 10.30 N ATOM 0 H ARG A 97 47.574 36.621-104.559 1.00 8.23 H new ATOM 0 HA ARG A 97 49.857 37.931-103.333 1.00 8.95 H new ATOM 0 HB2 ARG A 97 49.020 39.855-104.653 1.00 8.85 H new ATOM 0 HB3 ARG A 97 47.395 39.597-104.049 1.00 8.85 H new ATOM 0 HG2 ARG A 97 48.389 41.355-102.692 1.00 8.58 H new ATOM 0 HG3 ARG A 97 48.284 39.925-101.684 1.00 8.58 H new ATOM 0 HD2 ARG A 97 50.803 40.233-103.302 1.00 8.65 H new ATOM 0 HD3 ARG A 97 50.591 41.357-101.974 1.00 8.65 H new ATOM 0 HE ARG A 97 49.971 38.861-100.811 1.00 9.34 H new ATOM 0 HH11 ARG A 97 52.573 40.271-102.674 1.00 9.01 H new ATOM 0 HH12 ARG A 97 53.819 39.263-101.929 1.00 9.01 H new ATOM 0 HH21 ARG A 97 51.568 37.573 -99.858 1.00 10.30 H new ATOM 0 HH22 ARG A 97 53.255 37.750-100.350 1.00 10.30 H new ATOM 1363 N GLN A 98 46.722 37.735-102.275 1.00 9.97 N ATOM 1364 CA GLN A 98 45.915 37.294-101.102 1.00 10.76 C ATOM 1365 C GLN A 98 45.093 36.060-101.482 1.00 10.99 C ATOM 1366 O GLN A 98 44.750 35.937-102.646 1.00 11.00 O ATOM 1367 CB GLN A 98 44.974 38.424-100.678 1.00 11.07 C ATOM 1368 CG GLN A 98 45.795 39.657-100.296 1.00 11.38 C ATOM 1369 CD GLN A 98 44.918 40.632 -99.508 1.00 11.58 C ATOM 1370 OE1 GLN A 98 43.619 40.555 -99.615 1.00 11.67 O flip ATOM 1371 NE2 GLN A 98 45.418 41.470 -98.786 1.00 11.85 N flip ATOM 0 H GLN A 98 46.190 38.165-103.031 1.00 9.97 H new ATOM 0 HA GLN A 98 46.581 37.045-100.275 1.00 10.76 H new ATOM 0 HB2 GLN A 98 44.291 38.667-101.492 1.00 11.07 H new ATOM 0 HB3 GLN A 98 44.363 38.105 -99.833 1.00 11.07 H new ATOM 0 HG2 GLN A 98 46.657 39.362 -99.697 1.00 11.38 H new ATOM 0 HG3 GLN A 98 46.181 40.142-101.193 1.00 11.38 H new ATOM 0 HE21 GLN A 98 46.433 41.531 -98.702 1.00 11.85 H new ATOM 0 HE22 GLN A 98 44.823 42.113 -98.263 1.00 11.85 H new TER 1380 GLN A 98