USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=15 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 27 GLN : amide:sc= 0.0965 K(o=0.16,f=-1.3!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 142:sc= 0.0679 (180deg=0) USER MOD Set 2.1: A 82 ASN :FLIP amide:sc= 0.882 F(o=-3.2,f=2.1) USER MOD Set 2.2: A 94 LYS NZ :NH3+ -120:sc= 1.19 (180deg=-0.0138) USER MOD Set 3.1: A 52 GLN :FLIP amide:sc= -9.47! C(o=-11!,f=-10!) USER MOD Set 3.2: A 80 ASN :FLIP amide:sc= -0.643 F(o=-11!,f=-10) USER MOD Set 4.1: A 46 HIS :FLIP no HE2:sc= -0.691 F(o=-10!,f=0.098) USER MOD Set 4.2: A 50 LYS NZ :NH3+ -139:sc= 0.79 (180deg=0) USER MOD Single : A 22 MET CE :methyl -162:sc= -0.136 (180deg=-0.792) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= -3.32! (180deg=-3.56!) USER MOD Single : A 26 ASN : amide:sc= -4.4! C(o=-4.4!,f=-15!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.0295 (180deg=-0.0295) USER MOD Single : A 33 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.449 F(o=-1.9,f=-0.45) USER MOD Single : A 60 LYS NZ :NH3+ -146:sc= -0.432 (180deg=-2.14!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -151:sc= -1.5 (180deg=-3.18!) USER MOD Single : A 73 LYS NZ :NH3+ -133:sc= -1.11 (180deg=-4.69!) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0355) USER MOD Single : A 88 TYR OH : rot -30:sc= -11.1! USER MOD Single : A 98 GLN : amide:sc= -0.899 X(o=-0.9,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 61.609 54.633-127.951 1.00 3.57 N ATOM 2 CA GLY A 17 62.889 54.538-127.122 1.00 2.94 C ATOM 3 C GLY A 17 62.965 53.555-126.004 1.00 2.17 C ATOM 4 O GLY A 17 64.005 53.359-125.406 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.707 54.318-127.808 1.00 2.94 H new ATOM 0 HA3 GLY A 17 63.081 55.526-126.703 1.00 2.94 H new ATOM 8 N GLU A 18 61.874 52.912-125.693 1.00 1.64 N ATOM 9 CA GLU A 18 61.887 51.915-124.585 1.00 0.99 C ATOM 10 C GLU A 18 62.909 50.820-124.898 1.00 0.98 C ATOM 11 O GLU A 18 63.168 50.518-126.044 1.00 1.60 O ATOM 12 CB GLU A 18 60.496 51.290-124.447 1.00 1.22 C ATOM 13 CG GLU A 18 59.430 52.368-124.656 1.00 1.64 C ATOM 14 CD GLU A 18 59.101 52.479-126.145 1.00 2.48 C ATOM 15 OE1 GLU A 18 59.660 51.714-126.914 1.00 3.09 O ATOM 16 OE2 GLU A 18 58.296 53.328-126.493 1.00 3.13 O ATOM 0 H GLU A 18 60.974 53.033-126.158 1.00 1.64 H new ATOM 0 HA GLU A 18 62.158 52.410-123.652 1.00 0.99 H new ATOM 0 HB2 GLU A 18 60.370 50.492-125.179 1.00 1.22 H new ATOM 0 HB3 GLU A 18 60.384 50.839-123.461 1.00 1.22 H new ATOM 0 HG2 GLU A 18 58.531 52.120-124.092 1.00 1.64 H new ATOM 0 HG3 GLU A 18 59.788 53.326-124.280 1.00 1.64 H new ATOM 23 N GLU A 19 63.499 50.239-123.884 1.00 0.57 N ATOM 24 CA GLU A 19 64.517 49.169-124.121 1.00 0.55 C ATOM 25 C GLU A 19 64.485 48.775-125.601 1.00 0.56 C ATOM 26 O GLU A 19 65.457 48.923-126.314 1.00 0.63 O ATOM 27 CB GLU A 19 64.224 47.949-123.232 1.00 0.45 C ATOM 28 CG GLU A 19 62.786 47.464-123.436 1.00 0.38 C ATOM 29 CD GLU A 19 61.812 48.631-123.266 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.024 49.428-122.368 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.869 48.706-124.036 1.00 2.06 O ATOM 0 H GLU A 19 63.321 50.458-122.904 1.00 0.57 H new ATOM 0 HA GLU A 19 65.509 49.542-123.866 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.921 47.145-123.468 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.380 48.210-122.185 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.677 47.030-124.430 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.553 46.678-122.718 1.00 0.38 H new ATOM 38 N PHE A 20 63.363 48.310-126.073 1.00 0.51 N ATOM 39 CA PHE A 20 63.240 47.940-127.514 1.00 0.54 C ATOM 40 C PHE A 20 62.195 48.855-128.145 1.00 0.55 C ATOM 41 O PHE A 20 61.825 49.860-127.571 1.00 0.57 O ATOM 42 CB PHE A 20 62.782 46.488-127.641 1.00 0.52 C ATOM 43 CG PHE A 20 63.644 45.618-126.768 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.992 45.423-127.083 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.093 45.012-125.637 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.791 44.618-126.263 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.889 44.208-124.815 1.00 0.51 C ATOM 48 CZ PHE A 20 65.240 44.010-125.127 1.00 0.56 C ATOM 0 H PHE A 20 62.518 48.169-125.519 1.00 0.51 H new ATOM 0 HA PHE A 20 64.202 48.050-128.014 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.737 46.397-127.346 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.850 46.162-128.679 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.416 45.893-127.958 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.051 45.164-125.397 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.832 44.465-126.506 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.462 43.740-123.940 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.856 43.390-124.493 1.00 0.56 H new ATOM 58 N ARG A 21 61.693 48.534-129.304 1.00 0.57 N ATOM 59 CA ARG A 21 60.661 49.408-129.925 1.00 0.60 C ATOM 60 C ARG A 21 59.465 48.533-130.288 1.00 0.57 C ATOM 61 O ARG A 21 58.512 48.971-130.902 1.00 0.59 O ATOM 62 CB ARG A 21 61.228 50.041-131.192 1.00 0.69 C ATOM 63 CG ARG A 21 62.485 50.843-130.846 1.00 0.74 C ATOM 64 CD ARG A 21 63.076 51.439-132.123 1.00 0.82 C ATOM 65 NE ARG A 21 64.548 51.189-132.163 1.00 1.35 N ATOM 66 CZ ARG A 21 65.273 51.313-131.082 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.728 51.719-129.968 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.549 51.049-131.123 1.00 2.72 N ATOM 0 H ARG A 21 61.951 47.709-129.845 1.00 0.57 H new ATOM 0 HA ARG A 21 60.363 50.198-129.235 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.467 49.267-131.922 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.483 50.692-131.650 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.240 51.637-130.141 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.218 50.199-130.359 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.599 50.996-132.997 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.879 52.510-132.161 1.00 0.82 H new ATOM 0 HE ARG A 21 64.991 50.919-133.041 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.733 51.941-129.938 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.297 51.814-129.127 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.979 50.747-131.997 1.00 2.72 H new ATOM 0 HH22 ARG A 21 67.117 51.145-130.281 1.00 2.72 H new ATOM 82 N MET A 22 59.522 47.292-129.898 1.00 0.54 N ATOM 83 CA MET A 22 58.408 46.351-130.194 1.00 0.55 C ATOM 84 C MET A 22 57.577 46.151-128.926 1.00 0.49 C ATOM 85 O MET A 22 58.108 45.960-127.850 1.00 0.63 O ATOM 86 CB MET A 22 58.983 45.008-130.646 1.00 0.61 C ATOM 87 CG MET A 22 59.305 45.070-132.138 1.00 0.71 C ATOM 88 SD MET A 22 57.773 44.937-133.091 1.00 1.14 S ATOM 89 CE MET A 22 58.313 43.624-134.211 1.00 1.25 C ATOM 0 H MET A 22 60.301 46.885-129.381 1.00 0.54 H new ATOM 0 HA MET A 22 57.780 46.758-130.986 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.884 44.776-130.078 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.268 44.209-130.450 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.812 46.006-132.373 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.985 44.262-132.408 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.658 43.596-135.082 1.00 1.25 H new ATOM 0 HE2 MET A 22 59.336 43.818-134.533 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.271 42.665-133.695 1.00 1.25 H new ATOM 99 N GLU A 23 56.281 46.204-129.039 1.00 0.47 N ATOM 100 CA GLU A 23 55.426 46.028-127.834 1.00 0.46 C ATOM 101 C GLU A 23 55.619 44.627-127.254 1.00 0.50 C ATOM 102 O GLU A 23 55.737 44.459-126.057 1.00 0.50 O ATOM 103 CB GLU A 23 53.957 46.228-128.213 1.00 0.50 C ATOM 104 CG GLU A 23 53.749 47.660-128.708 1.00 1.45 C ATOM 105 CD GLU A 23 52.279 47.863-129.080 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.882 47.379-130.128 1.00 2.68 O ATOM 107 OE2 GLU A 23 51.577 48.498-128.312 1.00 2.48 O ATOM 0 H GLU A 23 55.777 46.361-129.912 1.00 0.47 H new ATOM 0 HA GLU A 23 55.712 46.766-127.085 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.671 45.518-128.989 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.318 46.033-127.352 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.041 48.370-127.934 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.384 47.853-129.573 1.00 1.45 H new ATOM 114 N LYS A 24 55.653 43.617-128.077 1.00 0.54 N ATOM 115 CA LYS A 24 55.839 42.239-127.544 1.00 0.59 C ATOM 116 C LYS A 24 57.073 42.200-126.650 1.00 0.53 C ATOM 117 O LYS A 24 57.016 41.773-125.513 1.00 0.55 O ATOM 118 CB LYS A 24 56.026 41.267-128.709 1.00 0.67 C ATOM 119 CG LYS A 24 57.003 41.870-129.716 1.00 0.64 C ATOM 120 CD LYS A 24 56.979 41.051-131.007 1.00 0.77 C ATOM 121 CE LYS A 24 55.962 41.656-131.977 1.00 1.46 C ATOM 122 NZ LYS A 24 54.736 42.051-131.227 1.00 2.09 N ATOM 0 H LYS A 24 55.561 43.685-129.091 1.00 0.54 H new ATOM 0 HA LYS A 24 54.962 41.952-126.964 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.405 40.312-128.344 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.068 41.067-129.189 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.733 42.905-129.925 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.010 41.881-129.299 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.969 41.040-131.462 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.718 40.016-130.788 1.00 0.77 H new ATOM 0 HE2 LYS A 24 56.392 42.524-132.477 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.710 40.934-132.754 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 54.018 42.399-131.894 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 54.362 41.227-130.715 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 54.972 42.803-130.548 1.00 2.09 H new ATOM 136 N LEU A 25 58.193 42.637-127.151 1.00 0.47 N ATOM 137 CA LEU A 25 59.437 42.623-126.335 1.00 0.42 C ATOM 138 C LEU A 25 59.249 43.480-125.086 1.00 0.39 C ATOM 139 O LEU A 25 59.454 43.033-123.984 1.00 0.55 O ATOM 140 CB LEU A 25 60.583 43.210-127.161 1.00 0.43 C ATOM 141 CG LEU A 25 61.204 42.128-128.043 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.214 42.605-129.498 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.640 41.872-127.581 1.00 1.03 C ATOM 0 H LEU A 25 58.301 43.005-128.096 1.00 0.47 H new ATOM 0 HA LEU A 25 59.663 41.597-126.045 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.213 44.027-127.781 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.341 43.629-126.499 1.00 0.43 H new ATOM 0 HG LEU A 25 60.623 41.209-127.966 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.657 41.835-130.130 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.192 42.799-129.824 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.800 43.520-129.577 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.091 41.101-128.205 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.219 42.792-127.666 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.635 41.541-126.543 1.00 1.03 H new ATOM 155 N ASN A 26 58.867 44.711-125.257 1.00 0.39 N ATOM 156 CA ASN A 26 58.680 45.580-124.060 1.00 0.37 C ATOM 157 C ASN A 26 57.795 44.829-123.068 1.00 0.40 C ATOM 158 O ASN A 26 58.163 44.580-121.938 1.00 0.40 O ATOM 159 CB ASN A 26 58.007 46.894-124.448 1.00 0.41 C ATOM 160 CG ASN A 26 58.696 47.478-125.683 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.468 46.806-126.338 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.450 48.712-126.029 1.00 0.45 N ATOM 0 H ASN A 26 58.678 45.151-126.158 1.00 0.39 H new ATOM 0 HA ASN A 26 59.649 45.812-123.619 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.950 46.726-124.654 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.062 47.601-123.620 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.906 49.112-126.849 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.802 49.276-125.479 1.00 0.45 H new ATOM 169 N GLN A 27 56.624 44.474-123.503 1.00 0.44 N ATOM 170 CA GLN A 27 55.683 43.739-122.620 1.00 0.50 C ATOM 171 C GLN A 27 56.429 42.599-121.927 1.00 0.47 C ATOM 172 O GLN A 27 56.404 42.469-120.716 1.00 0.48 O ATOM 173 CB GLN A 27 54.537 43.167-123.457 1.00 0.59 C ATOM 174 CG GLN A 27 53.611 44.302-123.898 1.00 0.58 C ATOM 175 CD GLN A 27 52.496 43.739-124.782 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.624 42.660-125.327 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.401 44.428-124.948 1.00 2.02 N ATOM 0 H GLN A 27 56.274 44.663-124.442 1.00 0.44 H new ATOM 0 HA GLN A 27 55.277 44.419-121.871 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.934 42.647-124.329 1.00 0.59 H new ATOM 0 HB3 GLN A 27 53.979 42.433-122.875 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.183 44.796-123.026 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.177 45.056-124.445 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.294 45.333-124.491 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.652 44.061-125.535 1.00 2.02 H new ATOM 186 N LEU A 28 57.085 41.759-122.682 1.00 0.47 N ATOM 187 CA LEU A 28 57.818 40.615-122.067 1.00 0.47 C ATOM 188 C LEU A 28 58.893 41.125-121.107 1.00 0.39 C ATOM 189 O LEU A 28 59.018 40.648-119.996 1.00 0.50 O ATOM 190 CB LEU A 28 58.477 39.783-123.169 1.00 0.50 C ATOM 191 CG LEU A 28 57.432 38.865-123.807 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.968 38.327-125.135 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.140 37.694-122.865 1.00 1.21 C ATOM 0 H LEU A 28 57.145 41.816-123.699 1.00 0.47 H new ATOM 0 HA LEU A 28 57.110 40.001-121.511 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.911 40.438-123.924 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.293 39.191-122.754 1.00 0.50 H new ATOM 0 HG LEU A 28 56.515 39.427-123.986 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.224 37.673-125.590 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.178 39.159-125.807 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.884 37.765-124.956 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.396 37.039-123.318 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.057 37.132-122.687 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.759 38.075-121.918 1.00 1.21 H new ATOM 205 N TRP A 29 59.669 42.091-121.513 1.00 0.37 N ATOM 206 CA TRP A 29 60.729 42.640-120.630 1.00 0.30 C ATOM 207 C TRP A 29 60.098 43.060-119.308 1.00 0.36 C ATOM 208 O TRP A 29 60.425 42.546-118.250 1.00 0.39 O ATOM 209 CB TRP A 29 61.309 43.856-121.359 1.00 0.32 C ATOM 210 CG TRP A 29 62.445 44.465-120.616 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.579 45.789-120.404 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.612 43.832-120.014 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.746 46.018-119.712 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.418 44.844-119.441 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.046 42.498-119.904 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.610 44.546-118.787 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.247 42.195-119.244 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.026 43.218-118.686 1.00 0.41 C ATOM 0 H TRP A 29 59.611 42.528-122.433 1.00 0.37 H new ATOM 0 HA TRP A 29 61.510 41.910-120.418 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.645 43.557-122.352 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.526 44.602-121.499 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.882 46.549-120.726 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.074 46.943-119.433 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.452 41.703-120.330 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.209 45.337-118.361 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.573 41.168-119.166 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.948 42.978-118.178 1.00 0.41 H new ATOM 229 N GLU A 30 59.197 43.995-119.364 1.00 0.45 N ATOM 230 CA GLU A 30 58.538 44.453-118.117 1.00 0.56 C ATOM 231 C GLU A 30 58.159 43.215-117.307 1.00 0.50 C ATOM 232 O GLU A 30 58.384 43.139-116.116 1.00 0.52 O ATOM 233 CB GLU A 30 57.277 45.248-118.463 1.00 0.68 C ATOM 234 CG GLU A 30 57.643 46.717-118.690 1.00 0.86 C ATOM 235 CD GLU A 30 58.010 47.363-117.353 1.00 1.53 C ATOM 236 OE1 GLU A 30 57.664 46.798-116.329 1.00 2.33 O ATOM 237 OE2 GLU A 30 58.631 48.413-117.376 1.00 2.06 O ATOM 0 H GLU A 30 58.889 44.461-120.218 1.00 0.45 H new ATOM 0 HA GLU A 30 59.208 45.094-117.544 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.809 44.837-119.358 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.549 45.164-117.656 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.480 46.791-119.384 1.00 0.86 H new ATOM 0 HG3 GLU A 30 56.805 47.246-119.144 1.00 0.86 H new ATOM 244 N LYS A 31 57.589 42.237-117.958 1.00 0.46 N ATOM 245 CA LYS A 31 57.195 40.990-117.244 1.00 0.45 C ATOM 246 C LYS A 31 58.415 40.392-116.534 1.00 0.43 C ATOM 247 O LYS A 31 58.377 40.103-115.350 1.00 0.46 O ATOM 248 CB LYS A 31 56.644 39.978-118.252 1.00 0.44 C ATOM 249 CG LYS A 31 55.142 39.797-118.027 1.00 0.91 C ATOM 250 CD LYS A 31 54.660 38.554-118.778 1.00 0.99 C ATOM 251 CE LYS A 31 54.467 38.891-120.257 1.00 1.36 C ATOM 252 NZ LYS A 31 53.088 39.413-120.471 1.00 2.08 N ATOM 0 H LYS A 31 57.379 42.249-118.956 1.00 0.46 H new ATOM 0 HA LYS A 31 56.428 41.224-116.506 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.831 40.323-119.269 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.157 39.022-118.141 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.933 39.696-116.962 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.602 40.678-118.376 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.385 37.747-118.670 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.722 38.199-118.350 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.201 39.633-120.571 1.00 1.36 H new ATOM 0 HE3 LYS A 31 54.630 38.003-120.868 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.956 39.642-121.477 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.396 38.691-120.187 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 52.949 40.270-119.899 1.00 2.08 H new ATOM 266 N ALA A 32 59.500 40.194-117.238 1.00 0.41 N ATOM 267 CA ALA A 32 60.696 39.604-116.572 1.00 0.41 C ATOM 268 C ALA A 32 61.058 40.450-115.357 1.00 0.41 C ATOM 269 O ALA A 32 61.020 39.980-114.233 1.00 0.42 O ATOM 270 CB ALA A 32 61.883 39.571-117.534 1.00 0.42 C ATOM 0 H ALA A 32 59.608 40.412-118.229 1.00 0.41 H new ATOM 0 HA ALA A 32 60.463 38.584-116.266 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.747 39.137-117.031 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.629 38.967-118.405 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.121 40.586-117.854 1.00 0.42 H new ATOM 276 N GLN A 33 61.405 41.697-115.543 1.00 0.43 N ATOM 277 CA GLN A 33 61.751 42.521-114.361 1.00 0.47 C ATOM 278 C GLN A 33 60.709 42.262-113.282 1.00 0.49 C ATOM 279 O GLN A 33 61.018 42.181-112.109 1.00 0.53 O ATOM 280 CB GLN A 33 61.755 44.002-114.748 1.00 0.51 C ATOM 281 CG GLN A 33 62.906 44.273-115.721 1.00 0.53 C ATOM 282 CD GLN A 33 62.760 45.678-116.307 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.445 46.595-115.898 1.00 1.17 O ATOM 284 NE2 GLN A 33 61.888 45.890-117.255 1.00 1.23 N ATOM 0 H GLN A 33 61.462 42.168-116.446 1.00 0.43 H new ATOM 0 HA GLN A 33 62.742 42.260-113.991 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.804 44.271-115.209 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.864 44.621-113.858 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.862 44.180-115.205 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.902 43.532-116.520 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.312 45.122-117.600 1.00 1.23 H new ATOM 0 HE22 GLN A 33 61.782 46.824-117.651 1.00 1.23 H new ATOM 293 N ARG A 34 59.474 42.110-113.671 1.00 0.49 N ATOM 294 CA ARG A 34 58.413 41.832-112.671 1.00 0.52 C ATOM 295 C ARG A 34 58.759 40.542-111.945 1.00 0.52 C ATOM 296 O ARG A 34 58.580 40.423-110.750 1.00 0.55 O ATOM 297 CB ARG A 34 57.069 41.680-113.377 1.00 0.56 C ATOM 298 CG ARG A 34 56.129 42.805-112.939 1.00 0.67 C ATOM 299 CD ARG A 34 54.834 42.734-113.751 1.00 1.59 C ATOM 300 NE ARG A 34 54.129 44.045-113.674 1.00 1.96 N ATOM 301 CZ ARG A 34 53.169 44.318-114.514 1.00 2.81 C ATOM 302 NH1 ARG A 34 52.826 43.446-115.421 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.552 45.467-114.448 1.00 3.58 N ATOM 0 H ARG A 34 59.156 42.167-114.639 1.00 0.49 H new ATOM 0 HA ARG A 34 58.346 42.654-111.959 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.209 41.709-114.458 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.629 40.712-113.139 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.909 42.716-111.875 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.610 43.772-113.085 1.00 0.67 H new ATOM 0 HD2 ARG A 34 55.056 42.488-114.790 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.193 41.941-113.366 1.00 1.59 H new ATOM 0 HE ARG A 34 54.397 44.728-112.965 1.00 1.96 H new ATOM 0 HH11 ARG A 34 53.309 42.549-115.474 1.00 3.42 H new ATOM 0 HH12 ARG A 34 52.075 43.661-116.077 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.821 46.150-113.740 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.801 45.681-115.104 1.00 3.58 H new ATOM 317 N LEU A 35 59.296 39.587-112.648 1.00 0.50 N ATOM 318 CA LEU A 35 59.699 38.327-111.974 1.00 0.54 C ATOM 319 C LEU A 35 60.963 38.637-111.187 1.00 0.55 C ATOM 320 O LEU A 35 61.395 37.885-110.335 1.00 0.61 O ATOM 321 CB LEU A 35 59.980 37.240-113.012 1.00 0.57 C ATOM 322 CG LEU A 35 58.678 36.518-113.355 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.845 37.388-114.298 1.00 1.20 C ATOM 324 CD2 LEU A 35 59.001 35.186-114.036 1.00 0.84 C ATOM 0 H LEU A 35 59.472 39.624-113.652 1.00 0.50 H new ATOM 0 HA LEU A 35 58.907 37.963-111.319 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.411 37.682-113.910 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.711 36.531-112.623 1.00 0.57 H new ATOM 0 HG LEU A 35 58.112 36.332-112.442 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.916 36.873-114.543 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.617 38.336-113.812 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.408 37.575-115.212 1.00 1.20 H new ATOM 0 HD21 LEU A 35 58.074 34.669-114.282 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.566 35.372-114.949 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.594 34.567-113.362 1.00 0.84 H new ATOM 336 N HIS A 36 61.545 39.767-111.476 1.00 0.53 N ATOM 337 CA HIS A 36 62.784 40.194-110.761 1.00 0.58 C ATOM 338 C HIS A 36 63.919 39.189-110.983 1.00 0.49 C ATOM 339 O HIS A 36 64.393 38.555-110.061 1.00 1.37 O ATOM 340 CB HIS A 36 62.496 40.310-109.262 1.00 0.98 C ATOM 341 CG HIS A 36 61.958 41.681-108.958 1.00 1.43 C ATOM 342 ND1 HIS A 36 60.842 42.349-109.400 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.597 42.549-108.085 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.787 43.609-108.812 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 61.867 43.678-108.029 1.00 2.17 N flip ATOM 0 H HIS A 36 61.213 40.421-112.185 1.00 0.53 H new ATOM 0 HA HIS A 36 63.094 41.161-111.158 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.776 39.550-108.960 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.407 40.131-108.691 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.158 41.978-110.059 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.514 42.354-107.548 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.033 44.368-108.958 1.00 2.32 H new ATOM 353 N LEU A 37 64.340 39.031-112.203 1.00 0.59 N ATOM 354 CA LEU A 37 65.428 38.047-112.474 1.00 0.43 C ATOM 355 C LEU A 37 66.771 38.748-112.253 1.00 0.44 C ATOM 356 O LEU A 37 67.002 39.823-112.770 1.00 0.42 O ATOM 357 CB LEU A 37 65.384 37.569-113.926 1.00 0.53 C ATOM 358 CG LEU A 37 63.956 37.222-114.337 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.317 38.440-115.009 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.993 36.061-115.333 1.00 0.82 C ATOM 0 H LEU A 37 63.986 39.532-113.018 1.00 0.59 H new ATOM 0 HA LEU A 37 65.301 37.191-111.811 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.778 38.346-114.582 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.025 36.695-114.046 1.00 0.53 H new ATOM 0 HG LEU A 37 63.375 36.939-113.459 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.296 38.198-115.305 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.304 39.276-114.310 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.895 38.714-115.891 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.976 35.806-115.632 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.568 36.354-116.212 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.461 35.195-114.865 1.00 0.82 H new ATOM 372 N PRO A 38 67.655 38.154-111.484 1.00 0.57 N ATOM 373 CA PRO A 38 68.977 38.774-111.214 1.00 0.66 C ATOM 374 C PRO A 38 69.605 39.306-112.492 1.00 0.58 C ATOM 375 O PRO A 38 69.298 38.844-113.565 1.00 0.52 O ATOM 376 CB PRO A 38 69.780 37.597-110.662 1.00 0.81 C ATOM 377 CG PRO A 38 68.796 36.480-110.282 1.00 0.82 C ATOM 378 CD PRO A 38 67.412 36.833-110.848 1.00 0.69 C ATOM 0 HA PRO A 38 68.928 39.629-110.539 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.491 37.240-111.407 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.358 37.906-109.791 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.136 35.524-110.682 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.746 36.373-109.198 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.067 36.092-111.569 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.656 36.892-110.065 1.00 0.69 H new ATOM 386 N PRO A 39 70.479 40.260-112.388 1.00 0.62 N ATOM 387 CA PRO A 39 71.131 40.817-113.593 1.00 0.60 C ATOM 388 C PRO A 39 71.671 39.704-114.491 1.00 0.53 C ATOM 389 O PRO A 39 71.411 39.660-115.665 1.00 0.51 O ATOM 390 CB PRO A 39 72.264 41.652-112.995 1.00 0.74 C ATOM 391 CG PRO A 39 72.068 41.728-111.473 1.00 0.81 C ATOM 392 CD PRO A 39 70.880 40.840-111.084 1.00 0.74 C ATOM 0 HA PRO A 39 70.459 41.392-114.230 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.229 41.203-113.230 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.264 42.653-113.427 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.971 41.398-110.959 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.886 42.758-111.167 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.165 40.070-110.367 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.074 41.416-110.630 1.00 0.74 H new ATOM 400 N VAL A 40 72.451 38.831-113.935 1.00 0.52 N ATOM 401 CA VAL A 40 73.060 37.725-114.725 1.00 0.47 C ATOM 402 C VAL A 40 71.985 36.992-115.521 1.00 0.41 C ATOM 403 O VAL A 40 72.048 36.881-116.738 1.00 0.37 O ATOM 404 CB VAL A 40 73.742 36.750-113.759 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.724 35.743-113.220 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.863 36.006-114.487 1.00 0.50 C ATOM 0 H VAL A 40 72.700 38.833-112.946 1.00 0.52 H new ATOM 0 HA VAL A 40 73.791 38.134-115.423 1.00 0.47 H new ATOM 0 HB VAL A 40 74.160 37.313-112.924 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.220 35.055-112.535 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.932 36.274-112.691 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.294 35.181-114.049 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.347 35.313-113.799 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.446 35.451-115.327 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.597 36.723-114.855 1.00 0.50 H new ATOM 416 N ARG A 41 70.987 36.502-114.854 1.00 0.42 N ATOM 417 CA ARG A 41 69.904 35.782-115.568 1.00 0.40 C ATOM 418 C ARG A 41 69.104 36.793-116.369 1.00 0.34 C ATOM 419 O ARG A 41 68.439 36.459-117.334 1.00 0.30 O ATOM 420 CB ARG A 41 68.986 35.098-114.552 1.00 0.46 C ATOM 421 CG ARG A 41 69.509 33.692-114.250 1.00 0.87 C ATOM 422 CD ARG A 41 68.406 32.880-113.568 1.00 1.00 C ATOM 423 NE ARG A 41 68.958 32.198-112.358 1.00 1.53 N ATOM 424 CZ ARG A 41 70.141 31.643-112.390 1.00 2.18 C ATOM 425 NH1 ARG A 41 70.832 31.625-113.498 1.00 2.54 N ATOM 426 NH2 ARG A 41 70.628 31.090-111.313 1.00 3.12 N ATOM 0 H ARG A 41 70.873 36.568-113.843 1.00 0.42 H new ATOM 0 HA ARG A 41 70.329 35.027-116.229 1.00 0.40 H new ATOM 0 HB2 ARG A 41 68.942 35.685-113.635 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.971 35.042-114.944 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.821 33.201-115.172 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.387 33.748-113.606 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.582 33.534-113.284 1.00 1.00 H new ATOM 0 HD3 ARG A 41 68.003 32.142-114.261 1.00 1.00 H new ATOM 0 HE ARG A 41 68.407 32.165-111.500 1.00 1.53 H new ATOM 0 HH11 ARG A 41 70.449 32.046-114.345 1.00 2.54 H new ATOM 0 HH12 ARG A 41 71.755 31.190-113.517 1.00 2.54 H new ATOM 0 HH21 ARG A 41 70.086 31.092-110.449 1.00 3.12 H new ATOM 0 HH22 ARG A 41 71.551 30.656-111.335 1.00 3.12 H new ATOM 440 N LEU A 42 69.171 38.035-115.986 1.00 0.35 N ATOM 441 CA LEU A 42 68.417 39.060-116.738 1.00 0.30 C ATOM 442 C LEU A 42 69.232 39.450-117.961 1.00 0.31 C ATOM 443 O LEU A 42 68.700 39.911-118.942 1.00 0.49 O ATOM 444 CB LEU A 42 68.129 40.279-115.864 1.00 0.32 C ATOM 445 CG LEU A 42 66.882 40.991-116.404 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.619 40.255-115.962 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.833 42.419-115.858 1.00 0.60 C ATOM 0 H LEU A 42 69.711 38.378-115.192 1.00 0.35 H new ATOM 0 HA LEU A 42 67.454 38.655-117.049 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.971 39.973-114.830 1.00 0.32 H new ATOM 0 HB3 LEU A 42 68.982 40.957-115.869 1.00 0.32 H new ATOM 0 HG LEU A 42 66.932 41.005-117.493 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.742 40.771-116.352 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.640 39.235-116.345 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.573 40.233-114.873 1.00 0.43 H new ATOM 0 HD21 LEU A 42 65.947 42.925-116.242 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.792 42.391-114.769 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.725 42.960-116.174 1.00 0.60 H new ATOM 459 N ALA A 43 70.517 39.221-117.939 1.00 0.30 N ATOM 460 CA ALA A 43 71.338 39.521-119.131 1.00 0.30 C ATOM 461 C ALA A 43 71.067 38.372-120.083 1.00 0.29 C ATOM 462 O ALA A 43 71.046 38.512-121.280 1.00 0.28 O ATOM 463 CB ALA A 43 72.820 39.555-118.751 1.00 0.36 C ATOM 0 H ALA A 43 71.028 38.839-117.143 1.00 0.30 H new ATOM 0 HA ALA A 43 71.096 40.488-119.571 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.417 39.777-119.635 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.985 40.326-117.999 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.115 38.586-118.348 1.00 0.36 H new ATOM 469 N GLU A 44 70.841 37.224-119.520 1.00 0.30 N ATOM 470 CA GLU A 44 70.531 36.058-120.381 1.00 0.32 C ATOM 471 C GLU A 44 69.205 36.366-121.089 1.00 0.30 C ATOM 472 O GLU A 44 69.145 36.476-122.297 1.00 0.34 O ATOM 473 CB GLU A 44 70.395 34.795-119.528 1.00 0.37 C ATOM 474 CG GLU A 44 71.680 34.579-118.727 1.00 1.15 C ATOM 475 CD GLU A 44 72.674 33.771-119.565 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.226 32.995-120.393 1.00 2.80 O ATOM 477 OE2 GLU A 44 73.865 33.943-119.365 1.00 2.92 O ATOM 0 H GLU A 44 70.857 37.043-118.516 1.00 0.30 H new ATOM 0 HA GLU A 44 71.327 35.885-121.105 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.545 34.889-118.853 1.00 0.37 H new ATOM 0 HB3 GLU A 44 70.202 33.932-120.165 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.116 35.540-118.453 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.458 34.053-117.799 1.00 1.15 H new ATOM 484 N LEU A 45 68.139 36.491-120.342 1.00 0.28 N ATOM 485 CA LEU A 45 66.804 36.778-120.966 1.00 0.29 C ATOM 486 C LEU A 45 66.789 38.169-121.619 1.00 0.24 C ATOM 487 O LEU A 45 66.144 38.379-122.627 1.00 0.25 O ATOM 488 CB LEU A 45 65.718 36.721-119.890 1.00 0.34 C ATOM 489 CG LEU A 45 64.347 36.924-120.538 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.764 35.568-120.939 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.408 37.603-119.539 1.00 0.77 C ATOM 0 H LEU A 45 68.131 36.407-119.325 1.00 0.28 H new ATOM 0 HA LEU A 45 66.616 36.028-121.735 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.750 35.760-119.376 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.895 37.491-119.139 1.00 0.34 H new ATOM 0 HG LEU A 45 64.454 37.550-121.424 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.787 35.714-121.400 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.432 35.081-121.649 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.657 34.942-120.053 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.431 37.748-119.999 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.303 36.975-118.654 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.821 38.570-119.251 1.00 0.77 H new ATOM 503 N HIS A 46 67.508 39.111-121.073 1.00 0.21 N ATOM 504 CA HIS A 46 67.539 40.471-121.695 1.00 0.20 C ATOM 505 C HIS A 46 68.383 40.400-122.969 1.00 0.19 C ATOM 506 O HIS A 46 67.974 40.825-124.030 1.00 0.21 O ATOM 507 CB HIS A 46 68.159 41.482-120.726 1.00 0.23 C ATOM 508 CG HIS A 46 68.090 42.861-121.323 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.049 43.744-121.480 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.205 43.496-121.845 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.510 44.907-122.089 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.814 44.706-122.288 1.00 0.31 N flip ATOM 0 H HIS A 46 68.072 39.003-120.230 1.00 0.21 H new ATOM 0 HA HIS A 46 66.524 40.792-121.929 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.629 41.460-119.774 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.196 41.215-120.520 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.085 43.573-121.194 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.206 43.094-121.889 1.00 0.27 H new ATOM 0 HE1 HIS A 46 66.935 45.785-122.346 1.00 0.35 H new ATOM 520 N ALA A 47 69.558 39.850-122.859 1.00 0.19 N ATOM 521 CA ALA A 47 70.458 39.719-124.039 1.00 0.22 C ATOM 522 C ALA A 47 69.737 38.942-125.135 1.00 0.21 C ATOM 523 O ALA A 47 69.539 39.428-126.229 1.00 0.22 O ATOM 524 CB ALA A 47 71.720 38.954-123.628 1.00 0.27 C ATOM 0 H ALA A 47 69.940 39.480-121.989 1.00 0.19 H new ATOM 0 HA ALA A 47 70.730 40.709-124.406 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.382 38.855-124.488 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.233 39.498-122.835 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.444 37.963-123.267 1.00 0.27 H new ATOM 530 N ASP A 48 69.330 37.741-124.844 1.00 0.22 N ATOM 531 CA ASP A 48 68.605 36.942-125.867 1.00 0.25 C ATOM 532 C ASP A 48 67.431 37.775-126.365 1.00 0.22 C ATOM 533 O ASP A 48 67.246 37.972-127.548 1.00 0.25 O ATOM 534 CB ASP A 48 68.090 35.643-125.242 1.00 0.28 C ATOM 535 CG ASP A 48 69.261 34.871-124.630 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.388 35.139-125.014 1.00 0.84 O ATOM 537 OD2 ASP A 48 69.010 34.024-123.788 1.00 0.94 O ATOM 0 H ASP A 48 69.467 37.279-123.945 1.00 0.22 H new ATOM 0 HA ASP A 48 69.270 36.689-126.693 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.347 35.865-124.476 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.595 35.034-125.999 1.00 0.28 H new ATOM 542 N LEU A 49 66.648 38.286-125.458 1.00 0.19 N ATOM 543 CA LEU A 49 65.500 39.129-125.875 1.00 0.19 C ATOM 544 C LEU A 49 66.023 40.182-126.853 1.00 0.18 C ATOM 545 O LEU A 49 65.378 40.511-127.829 1.00 0.19 O ATOM 546 CB LEU A 49 64.869 39.805-124.657 1.00 0.18 C ATOM 547 CG LEU A 49 63.836 38.860-124.035 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.191 39.532-122.824 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.755 38.530-125.068 1.00 0.89 C ATOM 0 H LEU A 49 66.754 38.156-124.452 1.00 0.19 H new ATOM 0 HA LEU A 49 64.735 38.517-126.352 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.638 40.055-123.926 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.393 40.740-124.951 1.00 0.18 H new ATOM 0 HG LEU A 49 64.332 37.942-123.721 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.456 38.859-122.383 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.958 39.766-122.086 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.697 40.452-123.138 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.021 37.858-124.624 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.261 39.449-125.384 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.212 38.048-125.932 1.00 0.89 H new ATOM 561 N LYS A 50 67.206 40.692-126.618 1.00 0.20 N ATOM 562 CA LYS A 50 67.771 41.696-127.561 1.00 0.21 C ATOM 563 C LYS A 50 68.069 40.982-128.876 1.00 0.23 C ATOM 564 O LYS A 50 67.574 41.339-129.921 1.00 0.24 O ATOM 565 CB LYS A 50 69.066 42.282-126.991 1.00 0.24 C ATOM 566 CG LYS A 50 68.799 42.874-125.606 1.00 0.36 C ATOM 567 CD LYS A 50 69.269 44.330-125.572 1.00 0.84 C ATOM 568 CE LYS A 50 70.790 44.370-125.421 1.00 1.09 C ATOM 569 NZ LYS A 50 71.143 44.561-123.986 1.00 1.84 N ATOM 0 H LYS A 50 67.798 40.457-125.821 1.00 0.20 H new ATOM 0 HA LYS A 50 67.062 42.510-127.715 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.829 41.506-126.925 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.452 43.053-127.658 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.735 42.819-125.375 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.321 42.295-124.845 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.970 44.842-126.487 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.796 44.857-124.743 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.227 43.444-125.794 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.204 45.182-126.019 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.935 45.230-123.910 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.320 44.938-123.473 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.420 43.648-123.572 1.00 1.84 H new ATOM 583 N ILE A 51 68.875 39.962-128.828 1.00 0.25 N ATOM 584 CA ILE A 51 69.184 39.233-130.083 1.00 0.27 C ATOM 585 C ILE A 51 67.860 39.067-130.828 1.00 0.26 C ATOM 586 O ILE A 51 67.677 39.564-131.934 1.00 0.25 O ATOM 587 CB ILE A 51 69.777 37.860-129.760 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.287 37.996-129.550 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.508 36.900-130.921 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.557 38.968-128.403 1.00 0.30 C ATOM 0 H ILE A 51 69.327 39.606-127.986 1.00 0.25 H new ATOM 0 HA ILE A 51 69.911 39.778-130.685 1.00 0.27 H new ATOM 0 HB ILE A 51 69.316 37.469-128.853 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.723 37.022-129.326 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.761 38.355-130.464 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.931 35.922-130.690 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.433 36.804-131.072 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.969 37.289-131.829 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.632 39.065-128.254 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.135 39.943-128.646 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.096 38.590-127.490 1.00 0.30 H new ATOM 602 N GLN A 52 66.911 38.414-130.218 1.00 0.26 N ATOM 603 CA GLN A 52 65.595 38.266-130.875 1.00 0.27 C ATOM 604 C GLN A 52 65.080 39.664-131.217 1.00 0.24 C ATOM 605 O GLN A 52 64.315 39.835-132.131 1.00 0.26 O ATOM 606 CB GLN A 52 64.620 37.567-129.922 1.00 0.32 C ATOM 607 CG GLN A 52 63.338 37.192-130.672 1.00 0.45 C ATOM 608 CD GLN A 52 63.693 36.485-131.982 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.977 35.213-131.966 1.00 1.00 O flip ATOM 610 NE2 GLN A 52 63.714 37.099-133.030 1.00 0.48 N flip ATOM 0 H GLN A 52 66.994 37.981-129.298 1.00 0.26 H new ATOM 0 HA GLN A 52 65.684 37.666-131.781 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.083 36.672-129.505 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.383 38.223-129.084 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.720 36.542-130.053 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.751 38.087-130.878 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.492 38.094-133.042 1.00 0.48 H new ATOM 0 HE22 GLN A 52 63.954 36.619-133.898 1.00 0.48 H new ATOM 619 N GLU A 53 65.504 40.668-130.486 1.00 0.23 N ATOM 620 CA GLU A 53 65.039 42.054-130.796 1.00 0.23 C ATOM 621 C GLU A 53 65.685 42.511-132.102 1.00 0.20 C ATOM 622 O GLU A 53 65.073 43.179-132.903 1.00 0.21 O ATOM 623 CB GLU A 53 65.434 43.022-129.685 1.00 0.25 C ATOM 624 CG GLU A 53 65.111 44.453-130.124 1.00 0.28 C ATOM 625 CD GLU A 53 66.372 45.314-130.020 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.224 44.989-129.209 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.464 46.287-130.751 1.00 1.04 O ATOM 0 H GLU A 53 66.145 40.588-129.697 1.00 0.23 H new ATOM 0 HA GLU A 53 63.953 42.047-130.884 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.897 42.780-128.768 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.497 42.928-129.465 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.739 44.456-131.149 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.321 44.868-129.497 1.00 0.28 H new ATOM 634 N ARG A 54 66.916 42.152-132.333 1.00 0.22 N ATOM 635 CA ARG A 54 67.576 42.561-133.599 1.00 0.22 C ATOM 636 C ARG A 54 66.854 41.867-134.742 1.00 0.20 C ATOM 637 O ARG A 54 66.711 42.391-135.831 1.00 0.21 O ATOM 638 CB ARG A 54 69.031 42.103-133.579 1.00 0.24 C ATOM 639 CG ARG A 54 69.854 43.061-132.722 1.00 0.27 C ATOM 640 CD ARG A 54 70.797 43.868-133.617 1.00 0.85 C ATOM 641 NE ARG A 54 71.164 45.140-132.933 1.00 1.55 N ATOM 642 CZ ARG A 54 72.174 45.845-133.364 1.00 2.09 C ATOM 643 NH1 ARG A 54 72.861 45.436-134.396 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.496 46.959-132.765 1.00 3.03 N ATOM 0 H ARG A 54 67.491 41.595-131.701 1.00 0.22 H new ATOM 0 HA ARG A 54 67.540 43.644-133.718 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.099 41.091-133.180 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.428 42.073-134.594 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.194 43.732-132.173 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.427 42.502-131.982 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.694 43.288-133.835 1.00 0.85 H new ATOM 0 HD3 ARG A 54 70.316 44.082-134.571 1.00 0.85 H new ATOM 0 HE ARG A 54 70.626 45.460-132.128 1.00 1.55 H new ATOM 0 HH11 ARG A 54 72.608 44.566-134.865 1.00 2.40 H new ATOM 0 HH12 ARG A 54 73.651 45.986-134.734 1.00 2.40 H new ATOM 0 HH21 ARG A 54 71.958 47.279-131.960 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.286 47.510-133.102 1.00 3.03 H new ATOM 658 N ASP A 55 66.364 40.696-134.469 1.00 0.20 N ATOM 659 CA ASP A 55 65.610 39.942-135.511 1.00 0.21 C ATOM 660 C ASP A 55 64.159 40.439-135.547 1.00 0.21 C ATOM 661 O ASP A 55 63.544 40.534-136.595 1.00 0.20 O ATOM 662 CB ASP A 55 65.629 38.450-135.175 1.00 0.25 C ATOM 663 CG ASP A 55 67.073 37.944-135.174 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.964 38.756-135.366 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.264 36.755-134.981 1.00 0.84 O ATOM 0 H ASP A 55 66.451 40.224-133.569 1.00 0.20 H new ATOM 0 HA ASP A 55 66.075 40.101-136.484 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.173 38.280-134.200 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.039 37.895-135.904 1.00 0.25 H new ATOM 670 N GLU A 56 63.616 40.786-134.413 1.00 0.27 N ATOM 671 CA GLU A 56 62.218 41.290-134.380 1.00 0.32 C ATOM 672 C GLU A 56 62.185 42.666-135.011 1.00 0.30 C ATOM 673 O GLU A 56 61.394 42.940-135.885 1.00 0.31 O ATOM 674 CB GLU A 56 61.723 41.378-132.940 1.00 0.39 C ATOM 675 CG GLU A 56 61.829 40.009-132.269 1.00 0.44 C ATOM 676 CD GLU A 56 60.427 39.442-132.041 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.714 39.269-133.015 1.00 1.39 O ATOM 678 OE2 GLU A 56 60.090 39.190-130.896 1.00 1.72 O ATOM 0 H GLU A 56 64.083 40.742-133.507 1.00 0.27 H new ATOM 0 HA GLU A 56 61.571 40.607-134.930 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.312 42.110-132.388 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.689 41.722-132.922 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.410 39.330-132.893 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.356 40.098-131.319 1.00 0.44 H new ATOM 685 N LEU A 57 63.064 43.530-134.607 1.00 0.30 N ATOM 686 CA LEU A 57 63.092 44.866-135.232 1.00 0.32 C ATOM 687 C LEU A 57 63.413 44.658-136.707 1.00 0.28 C ATOM 688 O LEU A 57 62.724 45.145-137.578 1.00 0.29 O ATOM 689 CB LEU A 57 64.163 45.739-134.575 1.00 0.36 C ATOM 690 CG LEU A 57 63.561 46.445-133.362 1.00 0.50 C ATOM 691 CD1 LEU A 57 62.726 45.450-132.555 1.00 1.08 C ATOM 692 CD2 LEU A 57 64.682 47.003-132.484 1.00 1.22 C ATOM 0 H LEU A 57 63.758 43.369-133.877 1.00 0.30 H new ATOM 0 HA LEU A 57 62.135 45.372-135.109 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.012 45.127-134.270 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.539 46.473-135.288 1.00 0.36 H new ATOM 0 HG LEU A 57 62.925 47.264-133.699 1.00 0.50 H new ATOM 0 HD11 LEU A 57 62.296 45.954-131.689 1.00 1.08 H new ATOM 0 HD12 LEU A 57 61.925 45.056-133.180 1.00 1.08 H new ATOM 0 HD13 LEU A 57 63.361 44.630-132.220 1.00 1.08 H new ATOM 0 HD21 LEU A 57 64.250 47.506-131.619 1.00 1.22 H new ATOM 0 HD22 LEU A 57 65.321 46.187-132.147 1.00 1.22 H new ATOM 0 HD23 LEU A 57 65.275 47.714-133.059 1.00 1.22 H new ATOM 704 N ALA A 58 64.429 43.889-137.004 1.00 0.25 N ATOM 705 CA ALA A 58 64.732 43.622-138.431 1.00 0.24 C ATOM 706 C ALA A 58 63.436 43.128-139.068 1.00 0.21 C ATOM 707 O ALA A 58 63.179 43.318-140.244 1.00 0.21 O ATOM 708 CB ALA A 58 65.813 42.544-138.543 1.00 0.24 C ATOM 0 H ALA A 58 65.050 43.443-136.328 1.00 0.25 H new ATOM 0 HA ALA A 58 65.099 44.519-138.930 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.030 42.354-139.594 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.719 42.884-138.041 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.461 41.626-138.073 1.00 0.24 H new ATOM 714 N TRP A 59 62.588 42.534-138.271 1.00 0.19 N ATOM 715 CA TRP A 59 61.290 42.074-138.819 1.00 0.18 C ATOM 716 C TRP A 59 60.383 43.286-139.017 1.00 0.20 C ATOM 717 O TRP A 59 59.958 43.572-140.119 1.00 0.30 O ATOM 718 CB TRP A 59 60.605 41.067-137.900 1.00 0.19 C ATOM 719 CG TRP A 59 59.385 40.586-138.607 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.364 39.598-139.529 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.019 41.069-138.491 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.078 39.458-140.003 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.206 40.336-139.386 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.413 42.064-137.704 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.837 40.583-139.498 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.037 42.314-137.812 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.251 41.575-138.706 1.00 0.39 C ATOM 0 H TRP A 59 62.739 42.352-137.279 1.00 0.19 H new ATOM 0 HA TRP A 59 61.479 41.573-139.769 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.273 40.235-137.675 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.341 41.531-136.949 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.216 39.014-139.843 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.803 38.788-140.721 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.010 42.639-137.012 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.235 40.013-140.190 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.581 43.080-137.203 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.192 41.772-138.783 1.00 0.39 H new ATOM 738 N LYS A 60 60.068 44.004-137.970 1.00 0.27 N ATOM 739 CA LYS A 60 59.183 45.182-138.154 1.00 0.30 C ATOM 740 C LYS A 60 59.648 45.898-139.420 1.00 0.29 C ATOM 741 O LYS A 60 58.857 46.398-140.201 1.00 0.31 O ATOM 742 CB LYS A 60 59.289 46.123-136.948 1.00 0.38 C ATOM 743 CG LYS A 60 60.481 47.065-137.127 1.00 0.42 C ATOM 744 CD LYS A 60 60.854 47.685-135.780 1.00 1.08 C ATOM 745 CE LYS A 60 60.002 48.932-135.536 1.00 1.53 C ATOM 746 NZ LYS A 60 60.056 49.814-136.736 1.00 2.27 N ATOM 0 H LYS A 60 60.380 43.827-137.015 1.00 0.27 H new ATOM 0 HA LYS A 60 58.142 44.871-138.241 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.370 46.700-136.844 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.406 45.543-136.032 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.331 46.518-137.534 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.233 47.849-137.843 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.697 46.962-134.979 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.912 47.947-135.769 1.00 1.08 H new ATOM 0 HE2 LYS A 60 58.971 48.646-135.328 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.367 49.469-134.660 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 60.015 50.809-136.437 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 60.943 49.644-137.252 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 59.248 49.605-137.357 1.00 2.27 H new ATOM 760 N LYS A 61 60.936 45.913-139.655 1.00 0.28 N ATOM 761 CA LYS A 61 61.453 46.557-140.888 1.00 0.30 C ATOM 762 C LYS A 61 61.187 45.625-142.068 1.00 0.27 C ATOM 763 O LYS A 61 60.984 46.071-143.180 1.00 0.35 O ATOM 764 CB LYS A 61 62.956 46.811-140.766 1.00 0.35 C ATOM 765 CG LYS A 61 63.241 47.634-139.508 1.00 0.40 C ATOM 766 CD LYS A 61 64.688 48.129-139.540 1.00 0.77 C ATOM 767 CE LYS A 61 64.784 49.377-140.419 1.00 1.42 C ATOM 768 NZ LYS A 61 66.138 49.981-140.279 1.00 2.43 N ATOM 0 H LYS A 61 61.645 45.507-139.045 1.00 0.28 H new ATOM 0 HA LYS A 61 60.952 47.513-141.038 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.492 45.863-140.721 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.318 47.340-141.648 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.557 48.481-139.452 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.072 47.028-138.618 1.00 0.40 H new ATOM 0 HD2 LYS A 61 65.028 48.357-138.530 1.00 0.77 H new ATOM 0 HD3 LYS A 61 65.342 47.348-139.928 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.597 49.116-141.461 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.021 50.099-140.129 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.203 50.830-140.877 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.300 50.244-139.286 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.858 49.292-140.577 1.00 2.43 H new ATOM 782 N LEU A 62 61.145 44.332-141.840 1.00 0.24 N ATOM 783 CA LEU A 62 60.841 43.402-142.964 1.00 0.24 C ATOM 784 C LEU A 62 59.411 43.672-143.413 1.00 0.24 C ATOM 785 O LEU A 62 59.155 44.072-144.531 1.00 0.26 O ATOM 786 CB LEU A 62 60.910 41.951-142.475 1.00 0.24 C ATOM 787 CG LEU A 62 62.352 41.444-142.483 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.492 40.299-141.479 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.691 40.925-143.877 1.00 0.41 C ATOM 0 H LEU A 62 61.306 43.890-140.935 1.00 0.24 H new ATOM 0 HA LEU A 62 61.557 43.553-143.772 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.501 41.882-141.467 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.293 41.318-143.113 1.00 0.24 H new ATOM 0 HG LEU A 62 63.027 42.256-142.213 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.520 39.935-141.483 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.237 40.657-140.481 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.819 39.488-141.756 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.719 40.562-143.890 1.00 0.41 H new ATOM 0 HD22 LEU A 62 62.015 40.110-144.136 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.582 41.732-144.602 1.00 0.41 H new ATOM 801 N LYS A 63 58.476 43.449-142.529 1.00 0.24 N ATOM 802 CA LYS A 63 57.052 43.683-142.871 1.00 0.26 C ATOM 803 C LYS A 63 56.896 45.108-143.397 1.00 0.29 C ATOM 804 O LYS A 63 56.085 45.372-144.262 1.00 0.30 O ATOM 805 CB LYS A 63 56.182 43.509-141.623 1.00 0.34 C ATOM 806 CG LYS A 63 56.166 44.814-140.822 1.00 0.46 C ATOM 807 CD LYS A 63 55.320 44.635-139.561 1.00 0.41 C ATOM 808 CE LYS A 63 54.376 45.828-139.405 1.00 0.58 C ATOM 809 NZ LYS A 63 55.091 47.079-139.781 1.00 1.20 N ATOM 0 H LYS A 63 58.643 43.113-141.581 1.00 0.24 H new ATOM 0 HA LYS A 63 56.738 42.966-143.630 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.167 43.234-141.910 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.570 42.697-141.007 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.183 45.098-140.552 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.761 45.621-141.432 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.747 43.710-139.623 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.965 44.552-138.686 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.497 45.695-140.036 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.023 45.894-138.376 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 54.693 47.879-139.249 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 56.102 46.982-139.556 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.978 47.251-140.800 1.00 1.20 H new ATOM 823 N LEU A 64 57.667 46.035-142.887 1.00 0.33 N ATOM 824 CA LEU A 64 57.560 47.439-143.362 1.00 0.43 C ATOM 825 C LEU A 64 58.071 47.552-144.797 1.00 0.52 C ATOM 826 O LEU A 64 57.423 48.117-145.655 1.00 0.75 O ATOM 827 CB LEU A 64 58.406 48.326-142.446 1.00 0.38 C ATOM 828 CG LEU A 64 57.566 48.783-141.253 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.455 49.535-140.260 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.452 49.711-141.741 1.00 1.23 C ATOM 0 H LEU A 64 58.366 45.875-142.161 1.00 0.33 H new ATOM 0 HA LEU A 64 56.517 47.755-143.339 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.281 47.777-142.098 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.772 49.191-142.998 1.00 0.38 H new ATOM 0 HG LEU A 64 57.128 47.913-140.763 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.856 49.861-139.410 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.250 48.876-139.912 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.893 50.405-140.750 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.852 50.038-140.891 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.891 50.580-142.231 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.818 49.177-142.449 1.00 1.23 H new ATOM 842 N ASP A 65 59.235 47.033-145.064 1.00 0.45 N ATOM 843 CA ASP A 65 59.797 47.124-146.441 1.00 0.60 C ATOM 844 C ASP A 65 59.103 46.120-147.363 1.00 0.96 C ATOM 845 O ASP A 65 59.281 46.151-148.565 1.00 0.98 O ATOM 846 CB ASP A 65 61.296 46.823-146.399 1.00 0.53 C ATOM 847 CG ASP A 65 62.027 47.965-145.691 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.413 48.998-145.486 1.00 1.31 O ATOM 849 OD2 ASP A 65 63.189 47.786-145.365 1.00 1.14 O ATOM 0 H ASP A 65 59.824 46.548-144.387 1.00 0.45 H new ATOM 0 HA ASP A 65 59.633 48.131-146.825 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.474 45.883-145.876 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.682 46.702-147.411 1.00 0.53 H new ATOM 854 N GLY A 66 58.312 45.230-146.826 1.00 1.30 N ATOM 855 CA GLY A 66 57.617 44.240-147.696 1.00 1.72 C ATOM 856 C GLY A 66 58.567 43.089-148.039 1.00 0.91 C ATOM 857 O GLY A 66 58.809 42.800-149.195 1.00 1.14 O ATOM 0 H GLY A 66 58.118 45.146-145.828 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.733 43.854-147.188 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.274 44.724-148.610 1.00 1.72 H new ATOM 861 N LEU A 67 59.103 42.425-147.050 1.00 0.37 N ATOM 862 CA LEU A 67 60.027 41.292-147.336 1.00 1.03 C ATOM 863 C LEU A 67 59.316 39.972-147.036 1.00 0.91 C ATOM 864 O LEU A 67 59.373 39.037-147.810 1.00 1.09 O ATOM 865 CB LEU A 67 61.278 41.420-146.470 1.00 1.69 C ATOM 866 CG LEU A 67 62.285 42.338-147.167 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.709 41.714-148.499 1.00 2.52 C ATOM 868 CD2 LEU A 67 61.639 43.700-147.428 1.00 2.68 C ATOM 0 H LEU A 67 58.941 42.618-146.061 1.00 0.37 H new ATOM 0 HA LEU A 67 60.319 41.313-148.386 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.017 41.824-145.492 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.720 40.438-146.302 1.00 1.69 H new ATOM 0 HG LEU A 67 63.160 42.466-146.529 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.426 42.368-148.995 1.00 2.52 H new ATOM 0 HD12 LEU A 67 63.169 40.743-148.316 1.00 2.52 H new ATOM 0 HD13 LEU A 67 61.834 41.586-149.136 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.356 44.354-147.924 1.00 2.68 H new ATOM 0 HD22 LEU A 67 60.764 43.572-148.065 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.336 44.147-146.481 1.00 2.68 H new ATOM 880 N ASP A 68 58.591 39.910-145.954 1.00 0.69 N ATOM 881 CA ASP A 68 57.805 38.686-145.630 1.00 0.59 C ATOM 882 C ASP A 68 56.339 39.067-145.815 1.00 0.59 C ATOM 883 O ASP A 68 55.830 39.882-145.072 1.00 0.59 O ATOM 884 CB ASP A 68 58.060 38.281-144.169 1.00 0.53 C ATOM 885 CG ASP A 68 57.782 36.786-143.999 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.421 36.155-144.979 1.00 0.97 O ATOM 887 OD2 ASP A 68 57.933 36.298-142.891 1.00 1.19 O ATOM 0 H ASP A 68 58.509 40.664-145.272 1.00 0.69 H new ATOM 0 HA ASP A 68 58.083 37.846-146.266 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.091 38.504-143.893 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.420 38.859-143.503 1.00 0.53 H new ATOM 892 N GLU A 69 55.628 38.535-146.776 1.00 0.63 N ATOM 893 CA GLU A 69 54.209 38.953-146.928 1.00 0.69 C ATOM 894 C GLU A 69 53.294 38.066-146.086 1.00 0.71 C ATOM 895 O GLU A 69 52.099 38.281-146.032 1.00 0.77 O ATOM 896 CB GLU A 69 53.804 38.842-148.400 1.00 0.73 C ATOM 897 CG GLU A 69 53.968 37.394-148.867 1.00 0.75 C ATOM 898 CD GLU A 69 52.646 36.647-148.686 1.00 1.36 C ATOM 899 OE1 GLU A 69 51.792 37.156-147.978 1.00 2.06 O ATOM 900 OE2 GLU A 69 52.509 35.578-149.259 1.00 1.82 O ATOM 0 H GLU A 69 55.962 37.844-147.447 1.00 0.63 H new ATOM 0 HA GLU A 69 54.109 39.984-146.588 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.770 39.162-148.529 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.420 39.504-149.009 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.271 37.370-149.914 1.00 0.75 H new ATOM 0 HG3 GLU A 69 54.756 36.904-148.296 1.00 0.75 H new ATOM 907 N ASP A 70 53.823 37.075-145.421 1.00 0.72 N ATOM 908 CA ASP A 70 52.952 36.201-144.588 1.00 0.78 C ATOM 909 C ASP A 70 53.422 36.293-143.140 1.00 0.69 C ATOM 910 O ASP A 70 52.862 35.686-142.248 1.00 0.84 O ATOM 911 CB ASP A 70 53.059 34.754-145.075 1.00 0.83 C ATOM 912 CG ASP A 70 52.807 34.702-146.583 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.667 34.875-146.979 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.759 34.492-147.315 1.00 1.34 O ATOM 0 H ASP A 70 54.814 36.835-145.419 1.00 0.72 H new ATOM 0 HA ASP A 70 51.913 36.522-144.665 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.047 34.355-144.847 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.334 34.129-144.553 1.00 0.83 H new ATOM 919 N GLY A 71 54.441 37.070-142.903 1.00 0.50 N ATOM 920 CA GLY A 71 54.954 37.242-141.519 1.00 0.43 C ATOM 921 C GLY A 71 55.618 35.958-141.013 1.00 0.34 C ATOM 922 O GLY A 71 55.731 35.753-139.822 1.00 0.31 O ATOM 0 H GLY A 71 54.944 37.597-143.617 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.673 38.061-141.494 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.134 37.517-140.856 1.00 0.43 H new ATOM 926 N GLU A 72 56.079 35.088-141.878 1.00 0.36 N ATOM 927 CA GLU A 72 56.736 33.857-141.353 1.00 0.34 C ATOM 928 C GLU A 72 57.968 34.300-140.564 1.00 0.30 C ATOM 929 O GLU A 72 58.152 33.943-139.419 1.00 0.30 O ATOM 930 CB GLU A 72 57.160 32.958-142.517 1.00 0.40 C ATOM 931 CG GLU A 72 57.934 31.754-141.978 1.00 1.23 C ATOM 932 CD GLU A 72 59.408 32.126-141.813 1.00 1.97 C ATOM 933 OE1 GLU A 72 59.795 33.170-142.313 1.00 2.68 O ATOM 934 OE2 GLU A 72 60.126 31.361-141.190 1.00 2.64 O ATOM 0 H GLU A 72 56.031 35.173-142.893 1.00 0.36 H new ATOM 0 HA GLU A 72 56.052 33.294-140.718 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.282 32.622-143.069 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.780 33.519-143.216 1.00 0.40 H new ATOM 0 HG2 GLU A 72 57.518 31.440-141.021 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.835 30.910-142.661 1.00 1.23 H new ATOM 941 N LYS A 73 58.807 35.090-141.171 1.00 0.31 N ATOM 942 CA LYS A 73 60.013 35.568-140.446 1.00 0.33 C ATOM 943 C LYS A 73 59.551 36.029-139.063 1.00 0.29 C ATOM 944 O LYS A 73 60.261 35.932-138.071 1.00 0.29 O ATOM 945 CB LYS A 73 60.640 36.734-141.217 1.00 0.38 C ATOM 946 CG LYS A 73 60.985 36.275-142.637 1.00 0.55 C ATOM 947 CD LYS A 73 61.771 37.373-143.354 1.00 1.07 C ATOM 948 CE LYS A 73 63.267 37.173-143.106 1.00 1.38 C ATOM 949 NZ LYS A 73 64.043 38.133-143.939 1.00 2.36 N ATOM 0 H LYS A 73 58.711 35.423-142.130 1.00 0.31 H new ATOM 0 HA LYS A 73 60.761 34.781-140.354 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.948 37.575-141.253 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.538 37.081-140.706 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.573 35.358-142.601 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.073 36.048-143.188 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.562 37.346-144.423 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.459 38.353-142.993 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.495 37.325-142.051 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.553 36.150-143.350 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.818 37.630-144.417 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.417 38.560-144.651 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 64.437 38.880-143.332 1.00 2.36 H new ATOM 963 N GLU A 74 58.316 36.439-138.983 1.00 0.28 N ATOM 964 CA GLU A 74 57.739 36.826-137.673 1.00 0.28 C ATOM 965 C GLU A 74 57.415 35.518-136.964 1.00 0.26 C ATOM 966 O GLU A 74 57.612 35.354-135.791 1.00 0.27 O ATOM 967 CB GLU A 74 56.455 37.622-137.891 1.00 0.31 C ATOM 968 CG GLU A 74 56.211 38.520-136.683 1.00 0.37 C ATOM 969 CD GLU A 74 54.738 38.445-136.275 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.934 38.050-137.104 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.439 38.783-135.142 1.00 1.14 O ATOM 0 H GLU A 74 57.680 36.522-139.776 1.00 0.28 H new ATOM 0 HA GLU A 74 58.425 37.444-137.094 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.535 38.224-138.796 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.613 36.945-138.032 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.845 38.209-135.853 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.480 39.549-136.922 1.00 0.37 H new ATOM 978 N ALA A 75 56.952 34.582-137.731 1.00 0.25 N ATOM 979 CA ALA A 75 56.648 33.244-137.163 1.00 0.27 C ATOM 980 C ALA A 75 57.914 32.805-136.450 1.00 0.26 C ATOM 981 O ALA A 75 57.944 32.668-135.248 1.00 0.27 O ATOM 982 CB ALA A 75 56.280 32.251-138.269 1.00 0.30 C ATOM 0 H ALA A 75 56.769 34.683-138.729 1.00 0.25 H new ATOM 0 HA ALA A 75 55.795 33.283-136.485 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.062 31.279-137.827 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.402 32.612-138.804 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.114 32.155-138.964 1.00 0.30 H new ATOM 988 N ARG A 76 58.964 32.586-137.180 1.00 0.28 N ATOM 989 CA ARG A 76 60.224 32.160-136.524 1.00 0.31 C ATOM 990 C ARG A 76 60.445 33.037-135.294 1.00 0.28 C ATOM 991 O ARG A 76 60.735 32.548-134.223 1.00 0.30 O ATOM 992 CB ARG A 76 61.396 32.322-137.495 1.00 0.35 C ATOM 993 CG ARG A 76 62.690 31.873-136.817 1.00 0.66 C ATOM 994 CD ARG A 76 63.880 32.197-137.722 1.00 1.00 C ATOM 995 NE ARG A 76 65.143 31.774-137.054 1.00 1.51 N ATOM 996 CZ ARG A 76 66.245 31.677-137.745 1.00 2.03 C ATOM 997 NH1 ARG A 76 66.241 31.949-139.022 1.00 2.34 N ATOM 998 NH2 ARG A 76 67.352 31.307-137.162 1.00 3.14 N ATOM 0 H ARG A 76 59.006 32.682-138.195 1.00 0.28 H new ATOM 0 HA ARG A 76 60.158 31.112-136.230 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.221 31.731-138.394 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.480 33.362-137.809 1.00 0.35 H new ATOM 0 HG2 ARG A 76 62.803 32.375-135.856 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.654 30.803-136.615 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.773 31.685-138.678 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.909 33.266-137.934 1.00 1.00 H new ATOM 0 HE ARG A 76 65.146 31.560-136.057 1.00 1.51 H new ATOM 0 HH11 ARG A 76 65.376 32.237-139.479 1.00 2.34 H new ATOM 0 HH12 ARG A 76 67.103 31.873-139.562 1.00 2.34 H new ATOM 0 HH21 ARG A 76 67.356 31.093-136.165 1.00 3.14 H new ATOM 0 HH22 ARG A 76 68.213 31.232-137.704 1.00 3.14 H new ATOM 1012 N LEU A 77 60.301 34.324-135.431 1.00 0.30 N ATOM 1013 CA LEU A 77 60.495 35.208-134.239 1.00 0.31 C ATOM 1014 C LEU A 77 59.561 34.764-133.111 1.00 0.29 C ATOM 1015 O LEU A 77 59.993 34.415-132.031 1.00 0.30 O ATOM 1016 CB LEU A 77 60.192 36.661-134.601 1.00 0.35 C ATOM 1017 CG LEU A 77 61.456 37.342-135.132 1.00 0.41 C ATOM 1018 CD1 LEU A 77 62.300 36.349-135.931 1.00 0.51 C ATOM 1019 CD2 LEU A 77 61.062 38.507-136.034 1.00 0.38 C ATOM 0 H LEU A 77 60.061 34.801-136.300 1.00 0.30 H new ATOM 0 HA LEU A 77 61.532 35.130-133.912 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.404 36.700-135.353 1.00 0.35 H new ATOM 0 HB3 LEU A 77 59.823 37.194-133.725 1.00 0.35 H new ATOM 0 HG LEU A 77 62.041 37.706-134.288 1.00 0.41 H new ATOM 0 HD11 LEU A 77 63.195 36.848-136.302 1.00 0.51 H new ATOM 0 HD12 LEU A 77 62.588 35.517-135.289 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.719 35.973-136.773 1.00 0.51 H new ATOM 0 HD21 LEU A 77 61.961 38.994-136.413 1.00 0.38 H new ATOM 0 HD22 LEU A 77 60.470 38.136-136.870 1.00 0.38 H new ATOM 0 HD23 LEU A 77 60.473 39.226-135.464 1.00 0.38 H new ATOM 1031 N ILE A 78 58.284 34.778-133.357 1.00 0.29 N ATOM 1032 CA ILE A 78 57.298 34.362-132.319 1.00 0.32 C ATOM 1033 C ILE A 78 57.684 33.001-131.756 1.00 0.30 C ATOM 1034 O ILE A 78 57.685 32.790-130.566 1.00 0.32 O ATOM 1035 CB ILE A 78 55.916 34.270-132.948 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.483 35.667-133.368 1.00 0.38 C ATOM 1037 CG2 ILE A 78 54.923 33.706-131.931 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.712 35.583-134.679 1.00 0.37 C ATOM 0 H ILE A 78 57.873 35.064-134.246 1.00 0.29 H new ATOM 0 HA ILE A 78 57.291 35.097-131.514 1.00 0.32 H new ATOM 0 HB ILE A 78 55.943 33.611-133.816 1.00 0.37 H new ATOM 0 HG12 ILE A 78 54.859 36.115-132.594 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.355 36.310-133.486 1.00 0.38 H new ATOM 0 HG21 ILE A 78 53.934 33.642-132.385 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.245 32.712-131.621 1.00 0.45 H new ATOM 0 HG23 ILE A 78 54.881 34.362-131.061 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.400 36.582-134.983 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.351 35.152-135.450 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.832 34.954-134.544 1.00 0.37 H new ATOM 1050 N ARG A 79 58.019 32.077-132.608 1.00 0.29 N ATOM 1051 CA ARG A 79 58.420 30.724-132.110 1.00 0.32 C ATOM 1052 C ARG A 79 59.715 30.854-131.298 1.00 0.26 C ATOM 1053 O ARG A 79 59.909 30.174-130.312 1.00 0.26 O ATOM 1054 CB ARG A 79 58.643 29.787-133.300 1.00 0.38 C ATOM 1055 CG ARG A 79 59.678 28.721-132.933 1.00 0.39 C ATOM 1056 CD ARG A 79 59.735 27.668-134.040 1.00 0.39 C ATOM 1057 NE ARG A 79 59.692 26.302-133.438 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.376 26.029-132.359 1.00 2.14 C ATOM 1059 NH1 ARG A 79 61.156 26.932-131.830 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.293 24.845-131.819 1.00 3.27 N ATOM 0 H ARG A 79 58.034 32.193-133.621 1.00 0.29 H new ATOM 0 HA ARG A 79 57.633 30.313-131.477 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.703 29.313-133.582 1.00 0.38 H new ATOM 0 HB3 ARG A 79 58.985 30.357-134.164 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.658 29.180-132.801 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.415 28.254-131.984 1.00 0.39 H new ATOM 0 HD2 ARG A 79 58.897 27.801-134.725 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.647 27.790-134.624 1.00 0.39 H new ATOM 0 HE ARG A 79 59.123 25.576-133.873 1.00 1.50 H new ATOM 0 HH11 ARG A 79 61.233 27.854-132.259 1.00 2.28 H new ATOM 0 HH12 ARG A 79 61.689 26.716-130.987 1.00 2.28 H new ATOM 0 HH21 ARG A 79 59.695 24.134-132.239 1.00 3.27 H new ATOM 0 HH22 ARG A 79 60.826 24.630-130.977 1.00 3.27 H new ATOM 1074 N ASN A 80 60.596 31.736-131.697 1.00 0.23 N ATOM 1075 CA ASN A 80 61.866 31.920-130.934 1.00 0.21 C ATOM 1076 C ASN A 80 61.550 32.668-129.643 1.00 0.21 C ATOM 1077 O ASN A 80 62.261 32.572-128.662 1.00 0.22 O ATOM 1078 CB ASN A 80 62.860 32.727-131.771 1.00 0.23 C ATOM 1079 CG ASN A 80 63.483 31.822-132.836 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.198 30.548-132.842 1.00 1.06 O flip ATOM 1081 ND2 ASN A 80 64.237 32.280-133.673 1.00 1.15 N flip ATOM 0 H ASN A 80 60.491 32.335-132.516 1.00 0.23 H new ATOM 0 HA ASN A 80 62.308 30.950-130.705 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.354 33.569-132.244 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.638 33.142-131.131 1.00 0.23 H new ATOM 0 HD21 ASN A 80 64.460 33.275-133.669 1.00 1.15 H new ATOM 0 HD22 ASN A 80 64.647 31.669-134.379 1.00 1.15 H new ATOM 1088 N LEU A 81 60.441 33.350-129.616 1.00 0.23 N ATOM 1089 CA LEU A 81 60.028 34.039-128.370 1.00 0.28 C ATOM 1090 C LEU A 81 59.416 32.954-127.506 1.00 0.30 C ATOM 1091 O LEU A 81 59.799 32.730-126.378 1.00 0.31 O ATOM 1092 CB LEU A 81 58.984 35.116-128.680 1.00 0.35 C ATOM 1093 CG LEU A 81 59.657 36.293-129.386 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.588 37.220-129.966 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.513 37.069-128.380 1.00 1.26 C ATOM 0 H LEU A 81 59.804 33.459-130.405 1.00 0.23 H new ATOM 0 HA LEU A 81 60.866 34.535-127.879 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.196 34.703-129.310 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.510 35.454-127.758 1.00 0.35 H new ATOM 0 HG LEU A 81 60.289 35.920-130.191 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.068 38.059-130.469 1.00 1.28 H new ATOM 0 HD12 LEU A 81 57.978 36.669-130.681 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.955 37.594-129.161 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.993 37.909-128.882 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.880 37.442-127.575 1.00 1.26 H new ATOM 0 HD23 LEU A 81 61.276 36.409-127.966 1.00 1.26 H new ATOM 1107 N ASN A 82 58.490 32.247-128.079 1.00 0.35 N ATOM 1108 CA ASN A 82 57.843 31.119-127.381 1.00 0.42 C ATOM 1109 C ASN A 82 58.932 30.252-126.761 1.00 0.37 C ATOM 1110 O ASN A 82 58.990 30.075-125.563 1.00 0.38 O ATOM 1111 CB ASN A 82 57.042 30.324-128.417 1.00 0.51 C ATOM 1112 CG ASN A 82 55.636 30.913-128.539 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.462 32.023-129.203 1.00 1.27 O flip ATOM 1114 ND2 ASN A 82 54.685 30.359-128.024 1.00 0.98 N flip ATOM 0 H ASN A 82 58.149 32.411-129.026 1.00 0.35 H new ATOM 0 HA ASN A 82 57.174 31.463-126.592 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.546 30.355-129.383 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.984 29.276-128.121 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.820 29.491-127.505 1.00 0.98 H new ATOM 0 HD22 ASN A 82 53.752 30.762-128.111 1.00 0.98 H new ATOM 1121 N VAL A 83 59.811 29.726-127.566 1.00 0.35 N ATOM 1122 CA VAL A 83 60.910 28.893-127.014 1.00 0.36 C ATOM 1123 C VAL A 83 61.621 29.692-125.924 1.00 0.32 C ATOM 1124 O VAL A 83 61.772 29.242-124.810 1.00 0.35 O ATOM 1125 CB VAL A 83 61.902 28.551-128.127 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.881 27.486-127.634 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.140 28.020-129.344 1.00 0.44 C ATOM 0 H VAL A 83 59.815 29.837-128.580 1.00 0.35 H new ATOM 0 HA VAL A 83 60.508 27.968-126.600 1.00 0.36 H new ATOM 0 HB VAL A 83 62.455 29.448-128.406 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.586 27.244-128.429 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.425 27.865-126.769 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.331 26.588-127.352 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.846 27.776-130.138 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.586 27.124-129.064 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.445 28.781-129.698 1.00 0.44 H new ATOM 1137 N ILE A 84 62.058 30.881-126.241 1.00 0.27 N ATOM 1138 CA ILE A 84 62.752 31.693-125.209 1.00 0.30 C ATOM 1139 C ILE A 84 61.965 31.583-123.904 1.00 0.31 C ATOM 1140 O ILE A 84 62.508 31.285-122.854 1.00 0.37 O ATOM 1141 CB ILE A 84 62.812 33.150-125.645 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.984 33.332-126.606 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.014 34.043-124.420 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.721 34.543-127.492 1.00 0.37 C ATOM 0 H ILE A 84 61.965 31.318-127.158 1.00 0.27 H new ATOM 0 HA ILE A 84 63.770 31.328-125.072 1.00 0.30 H new ATOM 0 HB ILE A 84 61.881 33.425-126.141 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.910 33.469-126.048 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.110 32.439-127.218 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.057 35.086-124.733 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.183 33.906-123.729 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.947 33.775-123.924 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.555 34.678-128.181 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.804 34.386-128.059 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.616 35.432-126.871 1.00 0.37 H new ATOM 1156 N LEU A 85 60.681 31.818-123.962 1.00 0.35 N ATOM 1157 CA LEU A 85 59.851 31.728-122.730 1.00 0.42 C ATOM 1158 C LEU A 85 59.881 30.301-122.189 1.00 0.42 C ATOM 1159 O LEU A 85 60.052 30.082-121.010 1.00 0.47 O ATOM 1160 CB LEU A 85 58.411 32.121-123.056 1.00 0.54 C ATOM 1161 CG LEU A 85 58.255 33.636-122.922 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.227 34.010-121.441 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.438 34.332-123.596 1.00 0.61 C ATOM 0 H LEU A 85 60.173 32.068-124.810 1.00 0.35 H new ATOM 0 HA LEU A 85 60.252 32.406-121.976 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.157 31.806-124.068 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.722 31.612-122.382 1.00 0.54 H new ATOM 0 HG LEU A 85 57.327 33.951-123.399 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.116 35.090-121.340 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.388 33.512-120.956 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.158 33.695-120.969 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.327 35.412-123.501 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.366 34.019-123.117 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.466 34.062-124.652 1.00 0.61 H new ATOM 1175 N ALA A 86 59.719 29.326-123.037 1.00 0.47 N ATOM 1176 CA ALA A 86 59.746 27.916-122.562 1.00 0.58 C ATOM 1177 C ALA A 86 61.138 27.608-122.008 1.00 0.59 C ATOM 1178 O ALA A 86 61.341 26.647-121.292 1.00 0.73 O ATOM 1179 CB ALA A 86 59.442 26.978-123.732 1.00 0.64 C ATOM 0 H ALA A 86 59.569 29.444-124.039 1.00 0.47 H new ATOM 0 HA ALA A 86 58.997 27.772-121.783 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.462 25.945-123.385 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.455 27.207-124.135 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.192 27.113-124.511 1.00 0.64 H new ATOM 1185 N LYS A 87 62.100 28.420-122.349 1.00 0.50 N ATOM 1186 CA LYS A 87 63.491 28.196-121.869 1.00 0.60 C ATOM 1187 C LYS A 87 63.637 28.757-120.463 1.00 0.58 C ATOM 1188 O LYS A 87 64.176 28.120-119.579 1.00 0.71 O ATOM 1189 CB LYS A 87 64.456 28.924-122.797 1.00 0.61 C ATOM 1190 CG LYS A 87 65.832 28.258-122.735 1.00 0.82 C ATOM 1191 CD LYS A 87 66.896 29.237-123.235 1.00 0.99 C ATOM 1192 CE LYS A 87 68.287 28.666-122.953 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.639 28.898-121.524 1.00 2.02 N ATOM 0 H LYS A 87 61.979 29.238-122.946 1.00 0.50 H new ATOM 0 HA LYS A 87 63.711 27.128-121.862 1.00 0.60 H new ATOM 0 HB2 LYS A 87 64.077 28.904-123.819 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.535 29.972-122.506 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.055 27.954-121.712 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.838 27.355-123.345 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.772 29.410-124.304 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.780 30.201-122.740 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.305 27.599-123.175 1.00 1.63 H new ATOM 0 HE3 LYS A 87 69.024 29.139-123.602 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.637 28.650-121.368 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.490 29.900-121.288 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.036 28.306-120.917 1.00 2.02 H new ATOM 1207 N TYR A 88 63.145 29.940-120.243 1.00 0.45 N ATOM 1208 CA TYR A 88 63.243 30.529-118.883 1.00 0.47 C ATOM 1209 C TYR A 88 62.138 29.928-118.029 1.00 0.54 C ATOM 1210 O TYR A 88 62.209 29.888-116.817 1.00 0.58 O ATOM 1211 CB TYR A 88 63.091 32.047-118.964 1.00 0.44 C ATOM 1212 CG TYR A 88 64.412 32.644-119.384 1.00 0.45 C ATOM 1213 CD1 TYR A 88 64.711 32.793-120.743 1.00 0.53 C ATOM 1214 CD2 TYR A 88 65.344 33.035-118.415 1.00 0.58 C ATOM 1215 CE1 TYR A 88 65.942 33.334-121.133 1.00 0.62 C ATOM 1216 CE2 TYR A 88 66.574 33.577-118.804 1.00 0.64 C ATOM 1217 CZ TYR A 88 66.873 33.726-120.164 1.00 0.61 C ATOM 1218 OH TYR A 88 68.086 34.257-120.549 1.00 0.73 O ATOM 0 H TYR A 88 62.682 30.522-120.941 1.00 0.45 H new ATOM 0 HA TYR A 88 64.214 30.309-118.440 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.312 32.311-119.680 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.785 32.448-117.998 1.00 0.44 H new ATOM 0 HD1 TYR A 88 63.993 32.491-121.491 1.00 0.53 H new ATOM 0 HD2 TYR A 88 65.113 32.918-117.366 1.00 0.58 H new ATOM 0 HE1 TYR A 88 66.173 33.449-122.182 1.00 0.62 H new ATOM 0 HE2 TYR A 88 67.292 33.880-118.056 1.00 0.64 H new ATOM 0 HH TYR A 88 68.350 33.878-121.413 1.00 0.73 H new ATOM 1228 N GLY A 89 61.107 29.471-118.672 1.00 0.59 N ATOM 1229 CA GLY A 89 59.969 28.877-117.923 1.00 0.69 C ATOM 1230 C GLY A 89 59.035 30.002-117.487 1.00 0.77 C ATOM 1231 O GLY A 89 58.546 30.027-116.376 1.00 1.09 O ATOM 0 H GLY A 89 61.001 29.482-119.686 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.435 28.163-118.550 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.333 28.329-117.054 1.00 0.69 H new ATOM 1235 N LEU A 90 58.773 30.925-118.368 1.00 0.65 N ATOM 1236 CA LEU A 90 57.857 32.047-118.029 1.00 0.75 C ATOM 1237 C LEU A 90 56.572 31.897-118.843 1.00 0.80 C ATOM 1238 O LEU A 90 55.481 31.857-118.308 1.00 1.31 O ATOM 1239 CB LEU A 90 58.528 33.375-118.378 1.00 0.82 C ATOM 1240 CG LEU A 90 58.761 34.178-117.104 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.716 35.335-117.403 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.424 34.730-116.607 1.00 1.68 C ATOM 0 H LEU A 90 59.156 30.950-119.313 1.00 0.65 H new ATOM 0 HA LEU A 90 57.626 32.029-116.964 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.476 33.193-118.884 1.00 0.82 H new ATOM 0 HB3 LEU A 90 57.902 33.941-119.068 1.00 0.82 H new ATOM 0 HG LEU A 90 59.198 33.538-116.338 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.885 35.912-116.494 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.666 34.939-117.763 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.279 35.980-118.166 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.584 35.306-115.695 1.00 1.68 H new ATOM 0 HD22 LEU A 90 56.990 35.374-117.371 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.744 33.904-116.400 1.00 1.68 H new ATOM 1254 N ASP A 91 56.702 31.808-120.137 1.00 0.77 N ATOM 1255 CA ASP A 91 55.505 31.650-121.011 1.00 0.87 C ATOM 1256 C ASP A 91 54.295 32.327-120.364 1.00 1.30 C ATOM 1257 O ASP A 91 53.343 31.679-119.975 1.00 1.70 O ATOM 1258 CB ASP A 91 55.218 30.161-121.210 1.00 1.04 C ATOM 1259 CG ASP A 91 56.518 29.433-121.555 1.00 0.99 C ATOM 1260 OD1 ASP A 91 56.975 29.580-122.678 1.00 0.84 O ATOM 1261 OD2 ASP A 91 57.033 28.740-120.695 1.00 1.42 O ATOM 0 H ASP A 91 57.594 31.838-120.631 1.00 0.77 H new ATOM 0 HA ASP A 91 55.698 32.117-121.977 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.782 29.740-120.304 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.489 30.024-122.008 1.00 1.04 H new ATOM 1266 N GLY A 92 54.322 33.626-120.249 1.00 1.77 N ATOM 1267 CA GLY A 92 53.172 34.345-119.632 1.00 2.22 C ATOM 1268 C GLY A 92 52.025 34.432-120.641 1.00 2.72 C ATOM 1269 O GLY A 92 50.939 33.943-120.404 1.00 3.30 O ATOM 0 H GLY A 92 55.091 34.221-120.556 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.842 33.823-118.734 1.00 2.22 H new ATOM 0 HA3 GLY A 92 53.477 35.345-119.325 1.00 2.22 H new ATOM 1273 N LYS A 93 52.261 35.050-121.766 1.00 3.13 N ATOM 1274 CA LYS A 93 51.185 35.167-122.792 1.00 3.96 C ATOM 1275 C LYS A 93 51.053 33.841-123.545 1.00 4.22 C ATOM 1276 O LYS A 93 51.680 32.860-123.202 1.00 4.63 O ATOM 1277 CB LYS A 93 51.541 36.280-123.779 1.00 4.60 C ATOM 1278 CG LYS A 93 51.383 37.640-123.095 1.00 4.79 C ATOM 1279 CD LYS A 93 51.306 38.739-124.157 1.00 5.91 C ATOM 1280 CE LYS A 93 50.913 40.061-123.497 1.00 6.60 C ATOM 1281 NZ LYS A 93 50.110 40.875-124.453 1.00 6.86 N ATOM 0 H LYS A 93 53.151 35.479-122.019 1.00 3.13 H new ATOM 0 HA LYS A 93 50.240 35.403-122.303 1.00 3.96 H new ATOM 0 HB2 LYS A 93 52.565 36.155-124.130 1.00 4.60 H new ATOM 0 HB3 LYS A 93 50.894 36.224-124.655 1.00 4.60 H new ATOM 0 HG2 LYS A 93 50.482 37.648-122.482 1.00 4.79 H new ATOM 0 HG3 LYS A 93 52.225 37.823-122.427 1.00 4.79 H new ATOM 0 HD2 LYS A 93 52.268 38.843-124.658 1.00 5.91 H new ATOM 0 HD3 LYS A 93 50.576 38.471-124.921 1.00 5.91 H new ATOM 0 HE2 LYS A 93 50.337 39.870-122.592 1.00 6.60 H new ATOM 0 HE3 LYS A 93 51.806 40.609-123.197 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 49.354 41.369-123.938 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 50.726 41.573-124.917 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 49.689 40.252-125.172 1.00 6.86 H new ATOM 1295 N LYS A 94 50.248 33.811-124.575 1.00 4.52 N ATOM 1296 CA LYS A 94 50.071 32.558-125.366 1.00 5.25 C ATOM 1297 C LYS A 94 50.460 31.338-124.527 1.00 5.64 C ATOM 1298 O LYS A 94 50.190 31.269-123.344 1.00 6.30 O ATOM 1299 CB LYS A 94 50.955 32.617-126.613 1.00 6.00 C ATOM 1300 CG LYS A 94 52.417 32.794-126.195 1.00 6.18 C ATOM 1301 CD LYS A 94 52.790 34.276-126.253 1.00 7.02 C ATOM 1302 CE LYS A 94 53.434 34.588-127.606 1.00 7.55 C ATOM 1303 NZ LYS A 94 54.860 34.155-127.588 1.00 7.75 N ATOM 0 H LYS A 94 49.702 34.607-124.904 1.00 4.52 H new ATOM 0 HA LYS A 94 49.024 32.468-125.656 1.00 5.25 H new ATOM 0 HB2 LYS A 94 50.841 31.703-127.196 1.00 6.00 H new ATOM 0 HB3 LYS A 94 50.646 33.444-127.252 1.00 6.00 H new ATOM 0 HG2 LYS A 94 52.567 32.410-125.186 1.00 6.18 H new ATOM 0 HG3 LYS A 94 53.067 32.219-126.855 1.00 6.18 H new ATOM 0 HD2 LYS A 94 51.902 34.891-126.111 1.00 7.02 H new ATOM 0 HD3 LYS A 94 53.480 34.520-125.445 1.00 7.02 H new ATOM 0 HE2 LYS A 94 52.897 34.075-128.404 1.00 7.55 H new ATOM 0 HE3 LYS A 94 53.370 35.656-127.814 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 55.474 34.976-127.760 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 55.086 33.742-126.661 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 55.016 33.444-128.331 1.00 7.75 H new ATOM 1317 N ASP A 95 51.090 30.373-125.138 1.00 5.55 N ATOM 1318 CA ASP A 95 51.499 29.151-124.388 1.00 6.18 C ATOM 1319 C ASP A 95 52.663 28.473-125.112 1.00 6.72 C ATOM 1320 O ASP A 95 53.798 28.894-125.013 1.00 7.02 O ATOM 1321 CB ASP A 95 50.316 28.184-124.307 1.00 6.12 C ATOM 1322 CG ASP A 95 49.313 28.688-123.267 1.00 6.05 C ATOM 1323 OD1 ASP A 95 49.746 29.302-122.304 1.00 6.23 O ATOM 1324 OD2 ASP A 95 48.130 28.455-123.451 1.00 6.22 O ATOM 0 H ASP A 95 51.340 30.378-126.127 1.00 5.55 H new ATOM 0 HA ASP A 95 51.811 29.430-123.382 1.00 6.18 H new ATOM 0 HB2 ASP A 95 49.834 28.100-125.281 1.00 6.12 H new ATOM 0 HB3 ASP A 95 50.665 27.187-124.037 1.00 6.12 H new ATOM 1329 N ALA A 96 52.390 27.424-125.840 1.00 7.12 N ATOM 1330 CA ALA A 96 53.481 26.718-126.568 1.00 7.86 C ATOM 1331 C ALA A 96 52.873 25.794-127.625 1.00 8.30 C ATOM 1332 O ALA A 96 51.810 25.237-127.438 1.00 8.93 O ATOM 1333 CB ALA A 96 54.303 25.890-125.578 1.00 8.22 C ATOM 0 H ALA A 96 51.459 27.026-125.962 1.00 7.12 H new ATOM 0 HA ALA A 96 54.127 27.450-127.053 1.00 7.86 H new ATOM 0 HB1 ALA A 96 55.101 25.373-126.111 1.00 8.22 H new ATOM 0 HB2 ALA A 96 54.736 26.548-124.825 1.00 8.22 H new ATOM 0 HB3 ALA A 96 53.658 25.158-125.092 1.00 8.22 H new ATOM 1339 N ARG A 97 53.540 25.627-128.735 1.00 8.23 N ATOM 1340 CA ARG A 97 52.998 24.739-129.802 1.00 8.95 C ATOM 1341 C ARG A 97 51.475 24.871-129.851 1.00 9.53 C ATOM 1342 O ARG A 97 50.762 24.222-129.112 1.00 9.76 O ATOM 1343 CB ARG A 97 53.375 23.288-129.498 1.00 8.85 C ATOM 1344 CG ARG A 97 54.509 23.259-128.471 1.00 8.58 C ATOM 1345 CD ARG A 97 54.919 21.810-128.202 1.00 8.65 C ATOM 1346 NE ARG A 97 54.430 21.398-126.855 1.00 9.34 N ATOM 1347 CZ ARG A 97 54.397 20.134-126.532 1.00 9.46 C ATOM 1348 NH1 ARG A 97 54.793 19.231-127.387 1.00 9.01 N ATOM 1349 NH2 ARG A 97 53.969 19.773-125.353 1.00 10.30 N ATOM 0 H ARG A 97 54.435 26.067-128.948 1.00 8.23 H new ATOM 0 HA ARG A 97 53.419 25.030-130.765 1.00 8.95 H new ATOM 0 HB2 ARG A 97 52.509 22.749-129.114 1.00 8.85 H new ATOM 0 HB3 ARG A 97 53.685 22.783-130.413 1.00 8.85 H new ATOM 0 HG2 ARG A 97 55.363 23.827-128.841 1.00 8.58 H new ATOM 0 HG3 ARG A 97 54.187 23.735-127.545 1.00 8.58 H new ATOM 0 HD2 ARG A 97 54.503 21.155-128.968 1.00 8.65 H new ATOM 0 HD3 ARG A 97 56.003 21.712-128.253 1.00 8.65 H new ATOM 0 HE ARG A 97 54.121 22.104-126.186 1.00 9.34 H new ATOM 0 HH11 ARG A 97 55.128 19.513-128.308 1.00 9.01 H new ATOM 0 HH12 ARG A 97 54.767 18.243-127.134 1.00 9.01 H new ATOM 0 HH21 ARG A 97 53.660 20.479-124.684 1.00 10.30 H new ATOM 0 HH22 ARG A 97 53.943 18.785-125.100 1.00 10.30 H new ATOM 1363 N GLN A 98 50.970 25.706-130.717 1.00 9.97 N ATOM 1364 CA GLN A 98 49.493 25.878-130.812 1.00 10.76 C ATOM 1365 C GLN A 98 48.919 26.144-129.418 1.00 10.99 C ATOM 1366 O GLN A 98 48.789 27.304-129.063 1.00 11.00 O ATOM 1367 CB GLN A 98 48.867 24.606-131.387 1.00 11.07 C ATOM 1368 CG GLN A 98 47.402 24.873-131.741 1.00 11.38 C ATOM 1369 CD GLN A 98 46.514 24.501-130.552 1.00 11.58 C ATOM 1370 OE1 GLN A 98 45.771 25.324-130.054 1.00 11.67 O ATOM 1371 NE2 GLN A 98 46.559 23.288-130.074 1.00 11.85 N ATOM 0 H GLN A 98 51.516 26.276-131.363 1.00 9.97 H new ATOM 0 HA GLN A 98 49.267 26.721-131.465 1.00 10.76 H new ATOM 0 HB2 GLN A 98 49.414 24.288-132.274 1.00 11.07 H new ATOM 0 HB3 GLN A 98 48.935 23.795-130.662 1.00 11.07 H new ATOM 0 HG2 GLN A 98 47.264 25.924-131.997 1.00 11.38 H new ATOM 0 HG3 GLN A 98 47.117 24.291-132.618 1.00 11.38 H new ATOM 0 HE21 GLN A 98 47.183 22.598-130.492 1.00 11.85 H new ATOM 0 HE22 GLN A 98 45.970 23.030-129.282 1.00 11.85 H new TER 1380 GLN A 98