USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 MET CE :methyl 170:sc= -0.159 (180deg=-0.335) USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= 0.0695 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -6.14! C(o=-6.1!,f=-17!) USER MOD Single : A 27 GLN : amide:sc=-0.00471 X(o=-0.0047,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -0.0435 (180deg=-0.355) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.274 F(o=-1.6!,f=-0.27) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.05! C(o=-4.8!,f=-2!) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -2.69 F(o=-6.9!,f=-2.7) USER MOD Single : A 50 LYS NZ :NH3+ -146:sc= -0.144 (180deg=-1.05) USER MOD Single : A 52 GLN : amide:sc= -10.7! C(o=-11!,f=-16!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= -4.53! (180deg=-6.45!) USER MOD Single : A 63 LYS NZ :NH3+ -132:sc= -1.59 (180deg=-4.01!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -5.83! C(o=-5.8!,f=-10!) USER MOD Single : A 82 ASN : amide:sc= 0.481 X(o=0.48,f=-0.0041) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 148:sc= -5.29! 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 : amide:sc= -1.84! C(o=-1.8!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 63.752 55.944-123.273 1.00 3.57 N ATOM 2 CA GLY A 17 62.875 55.428-122.133 1.00 2.94 C ATOM 3 C GLY A 17 62.572 53.971-122.045 1.00 2.17 C ATOM 4 O GLY A 17 62.284 53.450-120.986 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.350 55.720-121.197 1.00 2.94 H new ATOM 0 HA3 GLY A 17 61.924 55.957-122.187 1.00 2.94 H new ATOM 8 N GLU A 18 62.628 53.277-123.147 1.00 1.64 N ATOM 9 CA GLU A 18 62.335 51.815-123.123 1.00 0.99 C ATOM 10 C GLU A 18 63.581 51.039-123.549 1.00 0.98 C ATOM 11 O GLU A 18 64.681 51.555-123.539 1.00 1.60 O ATOM 12 CB GLU A 18 61.188 51.508-124.086 1.00 1.22 C ATOM 13 CG GLU A 18 59.931 52.257-123.638 1.00 1.64 C ATOM 14 CD GLU A 18 59.030 52.511-124.848 1.00 2.48 C ATOM 15 OE1 GLU A 18 59.315 53.437-125.589 1.00 3.13 O ATOM 16 OE2 GLU A 18 58.071 51.776-125.012 1.00 3.09 O ATOM 0 H GLU A 18 62.864 53.658-124.063 1.00 1.64 H new ATOM 0 HA GLU A 18 62.050 51.518-122.114 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.460 51.805-125.099 1.00 1.22 H new ATOM 0 HB3 GLU A 18 60.996 50.435-124.110 1.00 1.22 H new ATOM 0 HG2 GLU A 18 59.395 51.674-122.888 1.00 1.64 H new ATOM 0 HG3 GLU A 18 60.205 53.203-123.171 1.00 1.64 H new ATOM 23 N GLU A 19 63.418 49.800-123.925 1.00 0.57 N ATOM 24 CA GLU A 19 64.591 48.986-124.351 1.00 0.55 C ATOM 25 C GLU A 19 64.443 48.632-125.835 1.00 0.56 C ATOM 26 O GLU A 19 65.328 48.865-126.635 1.00 0.63 O ATOM 27 CB GLU A 19 64.656 47.705-123.509 1.00 0.45 C ATOM 28 CG GLU A 19 63.279 47.037-123.463 1.00 0.38 C ATOM 29 CD GLU A 19 62.277 47.963-122.772 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.709 48.794-121.990 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.093 47.828-123.039 1.00 2.06 O ATOM 0 H GLU A 19 62.521 49.316-123.956 1.00 0.57 H new ATOM 0 HA GLU A 19 65.510 49.553-124.205 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.388 47.018-123.933 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.989 47.941-122.498 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.941 46.810-124.474 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.342 46.090-122.928 1.00 0.38 H new ATOM 38 N PHE A 20 63.324 48.079-126.200 1.00 0.51 N ATOM 39 CA PHE A 20 63.089 47.707-127.624 1.00 0.54 C ATOM 40 C PHE A 20 61.978 48.605-128.158 1.00 0.55 C ATOM 41 O PHE A 20 61.464 49.436-127.436 1.00 0.57 O ATOM 42 CB PHE A 20 62.656 46.245-127.688 1.00 0.52 C ATOM 43 CG PHE A 20 63.572 45.427-126.811 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.928 45.308-127.128 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.063 44.793-125.673 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.776 44.553-126.309 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.909 44.038-124.852 1.00 0.51 C ATOM 48 CZ PHE A 20 65.265 43.917-125.170 1.00 0.56 C ATOM 0 H PHE A 20 62.553 47.866-125.568 1.00 0.51 H new ATOM 0 HA PHE A 20 63.993 47.833-128.220 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.623 46.142-127.354 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.696 45.884-128.716 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.322 45.799-128.006 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.015 44.886-125.427 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.824 44.461-126.555 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.514 43.549-123.973 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.918 43.334-124.538 1.00 0.56 H new ATOM 58 N ARG A 21 61.575 48.473-129.395 1.00 0.57 N ATOM 59 CA ARG A 21 60.486 49.350-129.907 1.00 0.60 C ATOM 60 C ARG A 21 59.321 48.455-130.317 1.00 0.57 C ATOM 61 O ARG A 21 58.369 48.882-130.939 1.00 0.59 O ATOM 62 CB ARG A 21 60.983 50.094-131.141 1.00 0.69 C ATOM 63 CG ARG A 21 62.374 50.675-130.872 1.00 0.74 C ATOM 64 CD ARG A 21 62.323 51.599-129.656 1.00 0.82 C ATOM 65 NE ARG A 21 61.137 52.507-129.747 1.00 1.35 N ATOM 66 CZ ARG A 21 60.860 53.149-130.851 1.00 1.78 C ATOM 67 NH1 ARG A 21 61.675 53.097-131.869 1.00 2.06 N ATOM 68 NH2 ARG A 21 59.779 53.876-130.926 1.00 2.72 N ATOM 0 H ARG A 21 61.950 47.802-130.066 1.00 0.57 H new ATOM 0 HA ARG A 21 60.181 50.065-129.143 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.021 49.417-131.994 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.289 50.894-131.399 1.00 0.69 H new ATOM 0 HG2 ARG A 21 63.087 49.869-130.698 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.723 51.227-131.745 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.268 51.007-128.742 1.00 0.82 H new ATOM 0 HD3 ARG A 21 63.238 52.188-129.599 1.00 0.82 H new ATOM 0 HE ARG A 21 60.534 52.627-128.933 1.00 1.35 H new ATOM 0 HH11 ARG A 21 62.535 52.552-131.806 1.00 2.06 H new ATOM 0 HH12 ARG A 21 61.452 53.601-132.727 1.00 2.06 H new ATOM 0 HH21 ARG A 21 59.152 53.942-130.124 1.00 2.72 H new ATOM 0 HH22 ARG A 21 59.561 54.378-131.787 1.00 2.72 H new ATOM 82 N MET A 22 59.405 47.213-129.950 1.00 0.54 N ATOM 83 CA MET A 22 58.323 46.250-130.285 1.00 0.55 C ATOM 84 C MET A 22 57.496 45.993-129.029 1.00 0.49 C ATOM 85 O MET A 22 58.025 45.856-127.945 1.00 0.63 O ATOM 86 CB MET A 22 58.933 44.936-130.776 1.00 0.61 C ATOM 87 CG MET A 22 59.654 45.173-132.104 1.00 0.71 C ATOM 88 SD MET A 22 58.783 44.299-133.428 1.00 1.14 S ATOM 89 CE MET A 22 57.654 45.639-133.879 1.00 1.25 C ATOM 0 H MET A 22 60.185 46.817-129.426 1.00 0.54 H new ATOM 0 HA MET A 22 57.691 46.661-131.072 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.632 44.548-130.035 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.153 44.185-130.902 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.694 46.240-132.323 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.684 44.822-132.038 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.135 45.382-134.802 1.00 1.25 H new ATOM 0 HE2 MET A 22 56.925 45.785-133.081 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.221 46.559-134.025 1.00 1.25 H new ATOM 99 N GLU A 23 56.203 45.939-129.159 1.00 0.47 N ATOM 100 CA GLU A 23 55.359 45.709-127.959 1.00 0.46 C ATOM 101 C GLU A 23 55.611 44.310-127.402 1.00 0.50 C ATOM 102 O GLU A 23 55.729 44.129-126.208 1.00 0.50 O ATOM 103 CB GLU A 23 53.882 45.859-128.330 1.00 0.50 C ATOM 104 CG GLU A 23 53.588 47.319-128.682 1.00 1.45 C ATOM 105 CD GLU A 23 54.026 47.598-130.120 1.00 2.02 C ATOM 106 OE1 GLU A 23 54.239 46.643-130.849 1.00 2.48 O ATOM 107 OE2 GLU A 23 54.143 48.761-130.469 1.00 2.68 O ATOM 0 H GLU A 23 55.697 46.043-130.038 1.00 0.47 H new ATOM 0 HA GLU A 23 55.616 46.445-127.198 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.642 45.215-129.176 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.253 45.541-127.498 1.00 0.50 H new ATOM 0 HG2 GLU A 23 52.523 47.524-128.569 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.114 47.982-127.996 1.00 1.45 H new ATOM 114 N LYS A 24 55.700 43.312-128.237 1.00 0.54 N ATOM 115 CA LYS A 24 55.949 41.943-127.713 1.00 0.59 C ATOM 116 C LYS A 24 57.203 41.958-126.845 1.00 0.53 C ATOM 117 O LYS A 24 57.198 41.501-125.720 1.00 0.55 O ATOM 118 CB LYS A 24 56.152 40.979-128.883 1.00 0.67 C ATOM 119 CG LYS A 24 57.226 41.534-129.819 1.00 0.64 C ATOM 120 CD LYS A 24 57.230 40.736-131.125 1.00 0.77 C ATOM 121 CE LYS A 24 56.094 41.222-132.025 1.00 1.46 C ATOM 122 NZ LYS A 24 55.442 40.053-132.679 1.00 2.09 N ATOM 0 H LYS A 24 55.612 43.385-129.251 1.00 0.54 H new ATOM 0 HA LYS A 24 55.095 41.617-127.119 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.449 39.998-128.513 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.216 40.845-129.425 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.035 42.587-130.025 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.204 41.475-129.342 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.187 40.855-131.633 1.00 0.77 H new ATOM 0 HD3 LYS A 24 57.111 39.673-130.914 1.00 0.77 H new ATOM 0 HE2 LYS A 24 55.363 41.778-131.438 1.00 1.46 H new ATOM 0 HE3 LYS A 24 56.482 41.905-132.781 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 55.232 40.283-133.671 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 56.081 39.233-132.641 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 54.557 39.826-132.182 1.00 2.09 H new ATOM 136 N LEU A 25 58.281 42.478-127.360 1.00 0.47 N ATOM 137 CA LEU A 25 59.545 42.525-126.578 1.00 0.42 C ATOM 138 C LEU A 25 59.356 43.370-125.322 1.00 0.39 C ATOM 139 O LEU A 25 59.567 42.918-124.222 1.00 0.55 O ATOM 140 CB LEU A 25 60.628 43.179-127.435 1.00 0.43 C ATOM 141 CG LEU A 25 61.318 42.140-128.312 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.308 42.619-129.765 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.765 41.977-127.845 1.00 1.03 C ATOM 0 H LEU A 25 58.340 42.876-128.297 1.00 0.47 H new ATOM 0 HA LEU A 25 59.828 41.511-126.297 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.186 43.955-128.060 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.362 43.667-126.793 1.00 0.43 H new ATOM 0 HG LEU A 25 60.795 41.187-128.238 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.801 41.879-130.396 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.278 42.751-130.097 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.838 43.569-129.839 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.267 41.235-128.467 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.284 42.932-127.929 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.777 41.647-126.806 1.00 1.03 H new ATOM 155 N ASN A 26 58.968 44.601-125.486 1.00 0.39 N ATOM 156 CA ASN A 26 58.780 45.469-124.291 1.00 0.37 C ATOM 157 C ASN A 26 57.895 44.717-123.302 1.00 0.40 C ATOM 158 O ASN A 26 58.266 44.463-122.173 1.00 0.40 O ATOM 159 CB ASN A 26 58.111 46.781-124.693 1.00 0.41 C ATOM 160 CG ASN A 26 58.759 47.299-125.978 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.564 46.619-126.583 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.444 48.483-126.423 1.00 0.45 N ATOM 0 H ASN A 26 58.774 45.042-126.385 1.00 0.39 H new ATOM 0 HA ASN A 26 59.744 45.703-123.840 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.043 46.627-124.846 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.216 47.517-123.896 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.873 48.837-127.278 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.768 49.055-125.916 1.00 0.45 H new ATOM 169 N GLN A 27 56.729 44.358-123.738 1.00 0.44 N ATOM 170 CA GLN A 27 55.799 43.616-122.854 1.00 0.50 C ATOM 171 C GLN A 27 56.574 42.499-122.154 1.00 0.47 C ATOM 172 O GLN A 27 56.519 42.354-120.948 1.00 0.48 O ATOM 173 CB GLN A 27 54.671 43.010-123.691 1.00 0.59 C ATOM 174 CG GLN A 27 53.653 44.097-124.041 1.00 0.58 C ATOM 175 CD GLN A 27 52.420 43.455-124.681 1.00 1.39 C ATOM 176 OE1 GLN A 27 51.467 43.134-124.000 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.398 43.255-125.970 1.00 2.02 N ATOM 0 H GLN A 27 56.376 44.548-124.676 1.00 0.44 H new ATOM 0 HA GLN A 27 55.371 44.292-122.114 1.00 0.50 H new ATOM 0 HB2 GLN A 27 55.076 42.570-124.602 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.185 42.206-123.138 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.366 44.644-123.143 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.097 44.819-124.726 1.00 0.58 H new ATOM 0 HE21 GLN A 27 53.199 43.525-126.542 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.580 42.829-126.406 1.00 2.02 H new ATOM 186 N LEU A 28 57.274 41.688-122.902 1.00 0.47 N ATOM 187 CA LEU A 28 58.027 40.557-122.285 1.00 0.47 C ATOM 188 C LEU A 28 59.105 41.071-121.330 1.00 0.39 C ATOM 189 O LEU A 28 59.251 40.571-120.233 1.00 0.50 O ATOM 190 CB LEU A 28 58.680 39.724-123.388 1.00 0.50 C ATOM 191 CG LEU A 28 57.614 38.878-124.085 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.250 38.104-125.240 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.010 37.893-123.081 1.00 1.21 C ATOM 0 H LEU A 28 57.357 41.760-123.916 1.00 0.47 H new ATOM 0 HA LEU A 28 57.327 39.945-121.716 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.171 40.377-124.110 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.451 39.080-122.965 1.00 0.50 H new ATOM 0 HG LEU A 28 56.830 39.528-124.474 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.490 37.501-125.736 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.681 38.805-125.955 1.00 1.41 H new ATOM 0 HD13 LEU A 28 59.034 37.453-124.854 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.250 37.289-123.576 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.794 37.243-122.693 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.556 38.445-122.258 1.00 1.21 H new ATOM 205 N TRP A 29 59.863 42.059-121.719 1.00 0.37 N ATOM 206 CA TRP A 29 60.919 42.583-120.816 1.00 0.30 C ATOM 207 C TRP A 29 60.258 43.031-119.519 1.00 0.36 C ATOM 208 O TRP A 29 60.529 42.512-118.450 1.00 0.39 O ATOM 209 CB TRP A 29 61.566 43.777-121.526 1.00 0.32 C ATOM 210 CG TRP A 29 62.734 44.308-120.762 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.982 45.623-120.585 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.823 43.594-120.098 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.137 45.769-119.850 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.694 44.552-119.523 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.139 42.232-119.931 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.830 44.177-118.814 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.287 41.852-119.215 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.128 42.824-118.658 1.00 0.41 C ATOM 0 H TRP A 29 59.795 42.524-122.624 1.00 0.37 H new ATOM 0 HA TRP A 29 61.674 41.831-120.586 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.889 43.476-122.522 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.827 44.567-121.656 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.372 46.431-120.960 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.533 46.670-119.580 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.496 41.475-120.355 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.477 44.929-118.387 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.522 40.805-119.094 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.008 42.525-118.107 1.00 0.41 H new ATOM 229 N GLU A 30 59.393 43.997-119.608 1.00 0.45 N ATOM 230 CA GLU A 30 58.714 44.483-118.386 1.00 0.56 C ATOM 231 C GLU A 30 58.275 43.260-117.585 1.00 0.50 C ATOM 232 O GLU A 30 58.463 43.185-116.387 1.00 0.52 O ATOM 233 CB GLU A 30 57.488 45.313-118.776 1.00 0.68 C ATOM 234 CG GLU A 30 57.905 46.769-118.997 1.00 0.86 C ATOM 235 CD GLU A 30 58.210 47.424-117.649 1.00 1.53 C ATOM 236 OE1 GLU A 30 57.846 46.847-116.637 1.00 2.33 O ATOM 237 OE2 GLU A 30 58.800 48.492-117.650 1.00 2.06 O ATOM 0 H GLU A 30 59.129 44.469-120.473 1.00 0.45 H new ATOM 0 HA GLU A 30 59.384 45.108-117.795 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.038 44.911-119.684 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.732 45.255-117.992 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.783 46.813-119.641 1.00 0.86 H new ATOM 0 HG3 GLU A 30 57.109 47.313-119.506 1.00 0.86 H new ATOM 244 N LYS A 31 57.691 42.298-118.245 1.00 0.46 N ATOM 245 CA LYS A 31 57.236 41.070-117.538 1.00 0.45 C ATOM 246 C LYS A 31 58.404 40.448-116.769 1.00 0.43 C ATOM 247 O LYS A 31 58.302 40.180-115.588 1.00 0.46 O ATOM 248 CB LYS A 31 56.706 40.064-118.561 1.00 0.44 C ATOM 249 CG LYS A 31 55.269 39.676-118.207 1.00 0.91 C ATOM 250 CD LYS A 31 54.902 38.370-118.916 1.00 0.99 C ATOM 251 CE LYS A 31 54.687 38.637-120.407 1.00 1.36 C ATOM 252 NZ LYS A 31 53.414 39.388-120.599 1.00 2.08 N ATOM 0 H LYS A 31 57.509 42.311-119.249 1.00 0.46 H new ATOM 0 HA LYS A 31 56.445 41.332-116.835 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.740 40.496-119.561 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.339 39.177-118.575 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.169 39.557-117.128 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.583 40.469-118.505 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.695 37.635-118.779 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.997 37.949-118.478 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.523 39.209-120.809 1.00 1.36 H new ATOM 0 HE3 LYS A 31 54.652 37.695-120.955 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.074 39.252-121.572 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.699 39.036-119.930 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.579 40.401-120.428 1.00 2.08 H new ATOM 266 N ALA A 32 59.513 40.205-117.421 1.00 0.41 N ATOM 267 CA ALA A 32 60.660 39.589-116.692 1.00 0.41 C ATOM 268 C ALA A 32 61.002 40.443-115.482 1.00 0.41 C ATOM 269 O ALA A 32 60.993 39.969-114.364 1.00 0.42 O ATOM 270 CB ALA A 32 61.896 39.482-117.584 1.00 0.42 C ATOM 0 H ALA A 32 59.672 40.403-118.409 1.00 0.41 H new ATOM 0 HA ALA A 32 60.366 38.585-116.385 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.712 39.029-117.022 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.666 38.864-118.452 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.192 40.477-117.916 1.00 0.42 H new ATOM 276 N GLN A 33 61.296 41.702-115.667 1.00 0.43 N ATOM 277 CA GLN A 33 61.625 42.536-114.490 1.00 0.47 C ATOM 278 C GLN A 33 60.517 42.380-113.458 1.00 0.49 C ATOM 279 O GLN A 33 60.774 42.192-112.290 1.00 0.53 O ATOM 280 CB GLN A 33 61.753 44.000-114.919 1.00 0.51 C ATOM 281 CG GLN A 33 62.949 44.146-115.868 1.00 0.53 C ATOM 282 CD GLN A 33 62.934 45.539-116.501 1.00 0.75 C ATOM 283 OE1 GLN A 33 61.795 46.148-116.683 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.971 46.078-116.832 1.00 1.23 N flip ATOM 0 H GLN A 33 61.321 42.177-116.569 1.00 0.43 H new ATOM 0 HA GLN A 33 62.573 42.219-114.055 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.839 44.327-115.414 1.00 0.51 H new ATOM 0 HB3 GLN A 33 61.888 44.637-114.045 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.880 43.993-115.322 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.906 43.382-116.644 1.00 0.53 H new ATOM 0 HE21 GLN A 33 64.862 45.601-116.690 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.951 47.007-117.252 1.00 1.23 H new ATOM 293 N ARG A 34 59.282 42.423-113.879 1.00 0.49 N ATOM 294 CA ARG A 34 58.171 42.245-112.906 1.00 0.52 C ATOM 295 C ARG A 34 58.451 40.977-112.110 1.00 0.52 C ATOM 296 O ARG A 34 58.280 40.925-110.909 1.00 0.55 O ATOM 297 CB ARG A 34 56.843 42.109-113.650 1.00 0.56 C ATOM 298 CG ARG A 34 55.933 43.285-113.290 1.00 0.67 C ATOM 299 CD ARG A 34 54.565 43.091-113.944 1.00 1.59 C ATOM 300 NE ARG A 34 53.996 41.780-113.529 1.00 1.96 N ATOM 301 CZ ARG A 34 52.728 41.534-113.707 1.00 2.81 C ATOM 302 NH1 ARG A 34 51.957 42.439-114.245 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.229 40.382-113.349 1.00 3.58 N ATOM 0 H ARG A 34 58.997 42.573-114.847 1.00 0.49 H new ATOM 0 HA ARG A 34 58.105 43.107-112.242 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.017 42.087-114.726 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.361 41.168-113.386 1.00 0.56 H new ATOM 0 HG2 ARG A 34 55.824 43.356-112.208 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.380 44.220-113.627 1.00 0.67 H new ATOM 0 HD2 ARG A 34 53.894 43.899-113.653 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.660 43.131-115.029 1.00 1.59 H new ATOM 0 HE ARG A 34 54.598 41.074-113.105 1.00 1.96 H new ATOM 0 HH11 ARG A 34 52.346 43.339-114.526 1.00 3.42 H new ATOM 0 HH12 ARG A 34 50.965 42.247-114.384 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.831 39.674-112.930 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.237 40.190-113.489 1.00 3.58 H new ATOM 317 N LEU A 35 58.935 39.971-112.778 1.00 0.50 N ATOM 318 CA LEU A 35 59.292 38.720-112.067 1.00 0.54 C ATOM 319 C LEU A 35 60.649 38.966-111.421 1.00 0.55 C ATOM 320 O LEU A 35 61.149 38.171-110.651 1.00 0.61 O ATOM 321 CB LEU A 35 59.397 37.552-113.054 1.00 0.57 C ATOM 322 CG LEU A 35 58.057 37.328-113.762 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.933 35.855-114.156 1.00 1.20 C ATOM 324 CD2 LEU A 35 56.902 37.696-112.827 1.00 0.84 C ATOM 0 H LEU A 35 59.098 39.962-113.785 1.00 0.50 H new ATOM 0 HA LEU A 35 58.533 38.463-111.328 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.174 37.758-113.790 1.00 0.57 H new ATOM 0 HB3 LEU A 35 59.692 36.646-112.525 1.00 0.57 H new ATOM 0 HG LEU A 35 58.014 37.957-114.651 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.980 35.692-114.660 1.00 1.20 H new ATOM 0 HD12 LEU A 35 58.749 35.588-114.827 1.00 1.20 H new ATOM 0 HD13 LEU A 35 57.981 35.234-113.262 1.00 1.20 H new ATOM 0 HD21 LEU A 35 55.954 37.534-113.339 1.00 0.84 H new ATOM 0 HD22 LEU A 35 56.944 37.072-111.934 1.00 0.84 H new ATOM 0 HD23 LEU A 35 56.985 38.745-112.541 1.00 0.84 H new ATOM 336 N HIS A 36 61.247 40.081-111.751 1.00 0.53 N ATOM 337 CA HIS A 36 62.582 40.419-111.188 1.00 0.58 C ATOM 338 C HIS A 36 63.473 39.181-111.222 1.00 0.49 C ATOM 339 O HIS A 36 63.381 38.330-110.361 1.00 1.37 O ATOM 340 CB HIS A 36 62.438 40.882-109.735 1.00 0.98 C ATOM 341 CG HIS A 36 62.186 42.362-109.701 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.106 43.111-110.079 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 63.127 43.263-109.229 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 61.363 44.460-109.848 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.596 44.495-109.335 1.00 2.17 N flip ATOM 0 H HIS A 36 60.862 40.775-112.392 1.00 0.53 H new ATOM 0 HA HIS A 36 63.024 41.218-111.783 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.616 40.352-109.253 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.343 40.644-109.175 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.242 42.737-110.471 1.00 1.89 H new ATOM 0 HD2 HIS A 36 64.107 43.021-108.846 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.708 45.296-110.042 1.00 2.32 H new ATOM 353 N LEU A 37 64.353 39.062-112.183 1.00 0.59 N ATOM 354 CA LEU A 37 65.242 37.874-112.215 1.00 0.43 C ATOM 355 C LEU A 37 66.667 38.350-111.925 1.00 0.44 C ATOM 356 O LEU A 37 67.021 39.464-112.254 1.00 0.42 O ATOM 357 CB LEU A 37 65.209 37.237-113.607 1.00 0.53 C ATOM 358 CG LEU A 37 63.763 37.104-114.084 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.179 38.496-114.325 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.734 36.307-115.390 1.00 0.82 C ATOM 0 H LEU A 37 64.490 39.733-112.939 1.00 0.59 H new ATOM 0 HA LEU A 37 64.914 37.140-111.479 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.778 37.847-114.309 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.684 36.256-113.579 1.00 0.53 H new ATOM 0 HG LEU A 37 63.173 36.588-113.327 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.148 38.404-114.665 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.205 39.067-113.397 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.767 39.011-115.085 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.704 36.210-115.734 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.322 36.827-116.147 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.155 35.316-115.221 1.00 0.82 H new ATOM 372 N PRO A 38 67.493 37.529-111.332 1.00 0.57 N ATOM 373 CA PRO A 38 68.888 37.942-111.049 1.00 0.66 C ATOM 374 C PRO A 38 69.522 38.571-112.285 1.00 0.58 C ATOM 375 O PRO A 38 69.241 38.165-113.386 1.00 0.52 O ATOM 376 CB PRO A 38 69.562 36.611-110.713 1.00 0.81 C ATOM 377 CG PRO A 38 68.465 35.554-110.504 1.00 0.82 C ATOM 378 CD PRO A 38 67.112 36.157-110.917 1.00 0.69 C ATOM 0 HA PRO A 38 68.974 38.687-110.258 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.231 36.310-111.519 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.171 36.710-109.814 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.679 34.665-111.097 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.436 35.241-109.460 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.649 35.599-111.731 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.401 36.164-110.091 1.00 0.69 H new ATOM 386 N PRO A 39 70.363 39.550-112.118 1.00 0.62 N ATOM 387 CA PRO A 39 71.008 40.199-113.287 1.00 0.60 C ATOM 388 C PRO A 39 71.610 39.159-114.232 1.00 0.53 C ATOM 389 O PRO A 39 71.360 39.152-115.410 1.00 0.51 O ATOM 390 CB PRO A 39 72.095 41.052-112.628 1.00 0.74 C ATOM 391 CG PRO A 39 71.882 41.032-111.106 1.00 0.81 C ATOM 392 CD PRO A 39 70.736 40.066-110.780 1.00 0.74 C ATOM 0 HA PRO A 39 70.319 40.776-113.904 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.083 40.663-112.876 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.051 42.075-113.002 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.796 40.718-110.601 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.646 42.033-110.745 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.056 39.267-110.111 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.903 40.574-110.294 1.00 0.74 H new ATOM 400 N VAL A 40 72.430 38.307-113.703 1.00 0.52 N ATOM 401 CA VAL A 40 73.101 37.270-114.538 1.00 0.47 C ATOM 402 C VAL A 40 72.053 36.559-115.397 1.00 0.41 C ATOM 403 O VAL A 40 72.160 36.469-116.617 1.00 0.37 O ATOM 404 CB VAL A 40 73.771 36.251-113.610 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.760 35.182-113.188 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.947 35.591-114.334 1.00 0.50 C ATOM 0 H VAL A 40 72.671 38.280-112.712 1.00 0.52 H new ATOM 0 HA VAL A 40 73.847 37.734-115.184 1.00 0.47 H new ATOM 0 HB VAL A 40 74.136 36.766-112.721 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.245 34.462-112.529 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.930 35.654-112.662 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.384 34.668-114.072 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.422 34.867-113.672 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.585 35.083-115.228 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.673 36.353-114.619 1.00 0.50 H new ATOM 416 N ARG A 41 71.015 36.097-114.778 1.00 0.42 N ATOM 417 CA ARG A 41 69.937 35.427-115.543 1.00 0.40 C ATOM 418 C ARG A 41 69.196 36.497-116.323 1.00 0.34 C ATOM 419 O ARG A 41 68.538 36.228-117.309 1.00 0.30 O ATOM 420 CB ARG A 41 68.971 34.727-114.584 1.00 0.46 C ATOM 421 CG ARG A 41 67.974 33.892-115.391 1.00 0.87 C ATOM 422 CD ARG A 41 67.136 33.034-114.443 1.00 1.00 C ATOM 423 NE ARG A 41 66.388 33.913-113.502 1.00 1.53 N ATOM 424 CZ ARG A 41 65.385 33.433-112.819 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.036 32.184-112.965 1.00 2.54 N ATOM 426 NH2 ARG A 41 64.733 34.201-111.991 1.00 3.12 N ATOM 0 H ARG A 41 70.864 36.153-113.771 1.00 0.42 H new ATOM 0 HA ARG A 41 70.356 34.678-116.215 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.524 34.089-113.895 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.441 35.464-113.981 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.326 34.546-115.975 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.506 33.256-116.099 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.440 32.419-115.013 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.781 32.354-113.886 1.00 1.00 H new ATOM 0 HE ARG A 41 66.660 34.890-113.391 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.547 31.584-113.612 1.00 2.54 H new ATOM 0 HH12 ARG A 41 64.252 31.808-112.432 1.00 2.54 H new ATOM 0 HH21 ARG A 41 65.007 35.177-111.877 1.00 3.12 H new ATOM 0 HH22 ARG A 41 63.949 33.826-111.457 1.00 3.12 H new ATOM 440 N LEU A 42 69.307 37.720-115.886 1.00 0.35 N ATOM 441 CA LEU A 42 68.617 38.814-116.602 1.00 0.30 C ATOM 442 C LEU A 42 69.426 39.176-117.836 1.00 0.31 C ATOM 443 O LEU A 42 68.895 39.650-118.811 1.00 0.49 O ATOM 444 CB LEU A 42 68.465 40.034-115.702 1.00 0.32 C ATOM 445 CG LEU A 42 67.209 40.786-116.133 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.989 40.195-115.424 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.346 42.264-115.764 1.00 0.60 C ATOM 0 H LEU A 42 69.845 38.003-115.067 1.00 0.35 H new ATOM 0 HA LEU A 42 67.620 38.483-116.893 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.387 39.730-114.658 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.341 40.678-115.782 1.00 0.32 H new ATOM 0 HG LEU A 42 67.083 40.691-117.212 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.093 40.733-115.733 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.889 39.142-115.688 1.00 0.43 H new ATOM 0 HD13 LEU A 42 66.115 40.288-114.345 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.449 42.801-116.072 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.474 42.359-114.686 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.213 42.687-116.271 1.00 0.60 H new ATOM 459 N ALA A 43 70.703 38.917-117.828 1.00 0.30 N ATOM 460 CA ALA A 43 71.513 39.200-119.028 1.00 0.30 C ATOM 461 C ALA A 43 71.207 38.065-119.987 1.00 0.29 C ATOM 462 O ALA A 43 71.182 38.215-121.185 1.00 0.28 O ATOM 463 CB ALA A 43 72.996 39.194-118.657 1.00 0.36 C ATOM 0 H ALA A 43 71.214 38.522-117.039 1.00 0.30 H new ATOM 0 HA ALA A 43 71.287 40.173-119.465 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.594 39.403-119.544 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.186 39.958-117.903 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.267 38.216-118.259 1.00 0.36 H new ATOM 469 N GLU A 44 70.941 36.923-119.428 1.00 0.30 N ATOM 470 CA GLU A 44 70.588 35.772-120.298 1.00 0.32 C ATOM 471 C GLU A 44 69.273 36.129-121.012 1.00 0.30 C ATOM 472 O GLU A 44 69.222 36.247-122.221 1.00 0.34 O ATOM 473 CB GLU A 44 70.404 34.507-119.453 1.00 0.37 C ATOM 474 CG GLU A 44 71.739 34.119-118.813 1.00 1.15 C ATOM 475 CD GLU A 44 71.507 33.018-117.776 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.593 32.232-117.969 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.247 32.979-116.808 1.00 2.80 O ATOM 0 H GLU A 44 70.952 36.737-118.425 1.00 0.30 H new ATOM 0 HA GLU A 44 71.380 35.577-121.021 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.655 34.679-118.680 1.00 0.37 H new ATOM 0 HB3 GLU A 44 70.037 33.691-120.076 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.434 33.772-119.578 1.00 1.15 H new ATOM 0 HG3 GLU A 44 72.194 34.989-118.340 1.00 1.15 H new ATOM 484 N LEU A 45 68.212 36.292-120.267 1.00 0.28 N ATOM 485 CA LEU A 45 66.883 36.631-120.878 1.00 0.29 C ATOM 486 C LEU A 45 66.912 38.023-121.525 1.00 0.24 C ATOM 487 O LEU A 45 66.311 38.245-122.559 1.00 0.25 O ATOM 488 CB LEU A 45 65.812 36.609-119.785 1.00 0.34 C ATOM 489 CG LEU A 45 64.488 37.130-120.349 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.332 36.290-119.801 1.00 0.83 C ATOM 491 CD2 LEU A 45 64.295 38.590-119.930 1.00 0.77 C ATOM 0 H LEU A 45 68.205 36.205-119.251 1.00 0.28 H new ATOM 0 HA LEU A 45 66.658 35.895-121.650 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.684 35.594-119.409 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.126 37.224-118.942 1.00 0.34 H new ATOM 0 HG LEU A 45 64.506 37.060-121.437 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.390 36.662-120.203 1.00 0.83 H new ATOM 0 HD12 LEU A 45 63.467 35.249-120.096 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.315 36.360-118.713 1.00 0.83 H new ATOM 0 HD21 LEU A 45 63.352 38.962-120.331 1.00 0.77 H new ATOM 0 HD22 LEU A 45 64.278 38.657-118.842 1.00 0.77 H new ATOM 0 HD23 LEU A 45 65.117 39.192-120.318 1.00 0.77 H new ATOM 503 N HIS A 46 67.613 38.956-120.946 1.00 0.21 N ATOM 504 CA HIS A 46 67.680 40.317-121.557 1.00 0.20 C ATOM 505 C HIS A 46 68.540 40.247-122.821 1.00 0.19 C ATOM 506 O HIS A 46 68.144 40.680-123.885 1.00 0.21 O ATOM 507 CB HIS A 46 68.302 41.300-120.563 1.00 0.23 C ATOM 508 CG HIS A 46 68.198 42.699-121.104 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.117 43.505-121.366 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.316 43.445-121.442 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.555 44.731-121.856 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.887 44.642-121.882 1.00 0.31 N flip ATOM 0 H HIS A 46 68.141 38.839-120.081 1.00 0.21 H new ATOM 0 HA HIS A 46 66.676 40.659-121.810 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.792 41.232-119.602 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.347 41.044-120.388 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.141 43.244-121.223 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.344 43.124-121.366 1.00 0.27 H new ATOM 0 HE1 HIS A 46 66.948 45.574-122.152 1.00 0.35 H new ATOM 520 N ALA A 47 69.715 39.693-122.705 1.00 0.19 N ATOM 521 CA ALA A 47 70.619 39.573-123.883 1.00 0.22 C ATOM 522 C ALA A 47 69.866 38.899-125.023 1.00 0.21 C ATOM 523 O ALA A 47 69.719 39.448-126.097 1.00 0.22 O ATOM 524 CB ALA A 47 71.831 38.715-123.503 1.00 0.27 C ATOM 0 H ALA A 47 70.091 39.315-121.836 1.00 0.19 H new ATOM 0 HA ALA A 47 70.952 40.563-124.195 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.496 38.624-124.362 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.366 39.186-122.678 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.494 37.724-123.198 1.00 0.27 H new ATOM 530 N ASP A 48 69.381 37.715-124.792 1.00 0.22 N ATOM 531 CA ASP A 48 68.625 37.006-125.860 1.00 0.25 C ATOM 532 C ASP A 48 67.500 37.918-126.337 1.00 0.22 C ATOM 533 O ASP A 48 67.295 38.107-127.520 1.00 0.25 O ATOM 534 CB ASP A 48 68.035 35.709-125.302 1.00 0.28 C ATOM 535 CG ASP A 48 69.164 34.804-124.807 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.295 35.031-125.203 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.879 33.899-124.041 1.00 0.94 O ATOM 0 H ASP A 48 69.474 37.207-123.912 1.00 0.22 H new ATOM 0 HA ASP A 48 69.288 36.761-126.690 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.349 35.932-124.485 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.458 35.199-126.073 1.00 0.28 H new ATOM 542 N LEU A 49 66.776 38.495-125.421 1.00 0.19 N ATOM 543 CA LEU A 49 65.672 39.405-125.821 1.00 0.19 C ATOM 544 C LEU A 49 66.220 40.421-126.826 1.00 0.18 C ATOM 545 O LEU A 49 65.563 40.770-127.787 1.00 0.19 O ATOM 546 CB LEU A 49 65.115 40.123-124.591 1.00 0.18 C ATOM 547 CG LEU A 49 63.998 39.278-123.973 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.398 40.018-122.777 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.903 39.031-125.014 1.00 0.89 C ATOM 0 H LEU A 49 66.901 38.376-124.416 1.00 0.19 H new ATOM 0 HA LEU A 49 64.864 38.834-126.278 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.908 40.287-123.862 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.732 41.104-124.871 1.00 0.18 H new ATOM 0 HG LEU A 49 64.410 38.324-123.644 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.603 39.415-122.338 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.174 40.194-122.032 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.989 40.973-123.108 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.109 38.429-124.571 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.493 39.985-125.345 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.326 38.502-125.868 1.00 0.89 H new ATOM 561 N LYS A 50 67.430 40.881-126.630 1.00 0.20 N ATOM 562 CA LYS A 50 68.013 41.850-127.601 1.00 0.21 C ATOM 563 C LYS A 50 68.253 41.109-128.915 1.00 0.23 C ATOM 564 O LYS A 50 67.748 41.475-129.956 1.00 0.24 O ATOM 565 CB LYS A 50 69.346 42.381-127.065 1.00 0.24 C ATOM 566 CG LYS A 50 69.087 43.390-125.944 1.00 0.36 C ATOM 567 CD LYS A 50 70.287 43.424-124.995 1.00 0.84 C ATOM 568 CE LYS A 50 70.726 44.875-124.780 1.00 1.09 C ATOM 569 NZ LYS A 50 71.102 45.481-126.088 1.00 1.84 N ATOM 0 H LYS A 50 68.033 40.629-125.847 1.00 0.20 H new ATOM 0 HA LYS A 50 67.335 42.690-127.751 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.953 41.556-126.692 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.910 42.853-127.869 1.00 0.24 H new ATOM 0 HG2 LYS A 50 68.916 44.381-126.365 1.00 0.36 H new ATOM 0 HG3 LYS A 50 68.185 43.116-125.396 1.00 0.36 H new ATOM 0 HD2 LYS A 50 70.023 42.967-124.041 1.00 0.84 H new ATOM 0 HD3 LYS A 50 71.109 42.842-125.410 1.00 0.84 H new ATOM 0 HE2 LYS A 50 69.919 45.446-124.322 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.572 44.912-124.094 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.881 46.155-125.947 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.406 44.732-126.743 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.282 45.979-126.488 1.00 1.84 H new ATOM 583 N ILE A 51 69.018 40.059-128.867 1.00 0.25 N ATOM 584 CA ILE A 51 69.272 39.301-130.119 1.00 0.27 C ATOM 585 C ILE A 51 67.922 39.187-130.821 1.00 0.26 C ATOM 586 O ILE A 51 67.722 39.688-131.924 1.00 0.25 O ATOM 587 CB ILE A 51 69.809 37.906-129.793 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.321 37.984-129.574 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.512 36.960-130.958 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.618 38.974-128.449 1.00 0.30 C ATOM 0 H ILE A 51 69.473 39.696-128.029 1.00 0.25 H new ATOM 0 HA ILE A 51 70.012 39.801-130.744 1.00 0.27 H new ATOM 0 HB ILE A 51 69.327 37.532-128.890 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.715 37.000-129.321 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.817 38.299-130.492 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.894 35.966-130.726 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.435 36.906-131.118 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.995 37.333-131.861 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.695 39.032-128.290 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.238 39.959-128.721 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.134 38.639-127.532 1.00 0.30 H new ATOM 602 N GLN A 52 66.971 38.572-130.176 1.00 0.26 N ATOM 603 CA GLN A 52 65.627 38.470-130.780 1.00 0.27 C ATOM 604 C GLN A 52 65.177 39.875-131.169 1.00 0.24 C ATOM 605 O GLN A 52 64.419 40.049-132.090 1.00 0.26 O ATOM 606 CB GLN A 52 64.649 37.880-129.762 1.00 0.32 C ATOM 607 CG GLN A 52 63.480 37.226-130.498 1.00 0.45 C ATOM 608 CD GLN A 52 63.942 35.905-131.115 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.092 34.918-130.424 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.181 35.847-132.397 1.00 0.48 N ATOM 0 H GLN A 52 67.072 38.138-129.258 1.00 0.26 H new ATOM 0 HA GLN A 52 65.653 37.823-131.657 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.157 37.145-129.138 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.282 38.663-129.098 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.655 37.049-129.808 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.107 37.892-131.276 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.055 36.676-132.977 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.494 34.972-132.818 1.00 0.48 H new ATOM 619 N GLU A 53 65.629 40.885-130.462 1.00 0.23 N ATOM 620 CA GLU A 53 65.210 42.272-130.811 1.00 0.23 C ATOM 621 C GLU A 53 65.809 42.663-132.157 1.00 0.20 C ATOM 622 O GLU A 53 65.146 43.237-132.990 1.00 0.21 O ATOM 623 CB GLU A 53 65.697 43.267-129.760 1.00 0.25 C ATOM 624 CG GLU A 53 65.332 44.685-130.210 1.00 0.28 C ATOM 625 CD GLU A 53 66.521 45.618-129.965 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.274 45.355-129.042 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.659 46.579-130.704 1.00 1.04 O ATOM 0 H GLU A 53 66.263 40.806-129.667 1.00 0.23 H new ATOM 0 HA GLU A 53 64.121 42.297-130.854 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.240 43.049-128.795 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.776 43.179-129.629 1.00 0.25 H new ATOM 0 HG2 GLU A 53 65.067 44.686-131.267 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.459 45.039-129.662 1.00 0.28 H new ATOM 634 N ARG A 54 67.058 42.373-132.388 1.00 0.22 N ATOM 635 CA ARG A 54 67.665 42.747-133.691 1.00 0.22 C ATOM 636 C ARG A 54 66.929 42.019-134.806 1.00 0.20 C ATOM 637 O ARG A 54 66.745 42.533-135.894 1.00 0.21 O ATOM 638 CB ARG A 54 69.126 42.313-133.702 1.00 0.24 C ATOM 639 CG ARG A 54 69.950 43.275-132.851 1.00 0.27 C ATOM 640 CD ARG A 54 70.852 44.115-133.756 1.00 0.85 C ATOM 641 NE ARG A 54 70.064 44.604-134.923 1.00 1.55 N ATOM 642 CZ ARG A 54 70.531 45.567-135.668 1.00 2.09 C ATOM 643 NH1 ARG A 54 71.689 46.102-135.393 1.00 2.40 N ATOM 644 NH2 ARG A 54 69.841 45.996-136.689 1.00 3.03 N ATOM 0 H ARG A 54 67.680 41.896-131.735 1.00 0.22 H new ATOM 0 HA ARG A 54 67.595 43.825-133.837 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.218 41.298-133.315 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.505 42.299-134.724 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.290 43.924-132.275 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.554 42.718-132.135 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.260 44.959-133.199 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.698 43.520-134.098 1.00 0.85 H new ATOM 0 HE ARG A 54 69.159 44.185-135.139 1.00 1.55 H new ATOM 0 HH11 ARG A 54 72.229 45.767-134.595 1.00 2.40 H new ATOM 0 HH12 ARG A 54 72.054 46.855-135.976 1.00 2.40 H new ATOM 0 HH21 ARG A 54 68.936 45.578-136.905 1.00 3.03 H new ATOM 0 HH22 ARG A 54 70.207 46.749-137.271 1.00 3.03 H new ATOM 658 N ASP A 55 66.487 40.830-134.528 1.00 0.20 N ATOM 659 CA ASP A 55 65.743 40.057-135.565 1.00 0.21 C ATOM 660 C ASP A 55 64.272 40.491-135.583 1.00 0.21 C ATOM 661 O ASP A 55 63.643 40.574-136.627 1.00 0.20 O ATOM 662 CB ASP A 55 65.831 38.564-135.246 1.00 0.25 C ATOM 663 CG ASP A 55 67.284 38.101-135.365 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.125 38.929-135.679 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.532 36.928-135.143 1.00 0.84 O ATOM 0 H ASP A 55 66.606 40.357-133.632 1.00 0.20 H new ATOM 0 HA ASP A 55 66.185 40.249-136.543 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.459 38.374-134.239 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.200 37.997-135.931 1.00 0.25 H new ATOM 670 N GLU A 56 63.722 40.807-134.445 1.00 0.27 N ATOM 671 CA GLU A 56 62.308 41.255-134.400 1.00 0.32 C ATOM 672 C GLU A 56 62.228 42.631-135.029 1.00 0.30 C ATOM 673 O GLU A 56 61.439 42.871-135.914 1.00 0.31 O ATOM 674 CB GLU A 56 61.831 41.315-132.949 1.00 0.39 C ATOM 675 CG GLU A 56 61.301 39.941-132.531 1.00 0.44 C ATOM 676 CD GLU A 56 61.116 39.902-131.013 1.00 0.89 C ATOM 677 OE1 GLU A 56 62.095 39.667-130.323 1.00 1.72 O ATOM 678 OE2 GLU A 56 60.000 40.107-130.566 1.00 1.39 O ATOM 0 H GLU A 56 64.195 40.773-133.542 1.00 0.27 H new ATOM 0 HA GLU A 56 61.672 40.557-134.945 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.652 41.614-132.297 1.00 0.39 H new ATOM 0 HB3 GLU A 56 61.049 42.067-132.842 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.352 39.739-133.028 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.996 39.162-132.843 1.00 0.44 H new ATOM 685 N LEU A 57 63.065 43.530-134.608 1.00 0.30 N ATOM 686 CA LEU A 57 63.054 44.875-135.223 1.00 0.32 C ATOM 687 C LEU A 57 63.363 44.687-136.705 1.00 0.28 C ATOM 688 O LEU A 57 62.652 45.165-137.566 1.00 0.29 O ATOM 689 CB LEU A 57 64.125 45.756-134.574 1.00 0.36 C ATOM 690 CG LEU A 57 63.637 46.237-133.205 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.803 46.860-132.438 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.538 47.285-133.393 1.00 1.22 C ATOM 0 H LEU A 57 63.753 43.391-133.868 1.00 0.30 H new ATOM 0 HA LEU A 57 62.088 45.361-135.083 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.053 45.195-134.464 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.343 46.611-135.214 1.00 0.36 H new ATOM 0 HG LEU A 57 63.242 45.390-132.644 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.456 47.203-131.463 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.588 46.116-132.303 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.198 47.706-133.000 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.191 47.627-132.418 1.00 1.22 H new ATOM 0 HD22 LEU A 57 62.934 48.131-133.955 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.705 46.844-133.941 1.00 1.22 H new ATOM 704 N ALA A 58 64.402 43.954-137.016 1.00 0.25 N ATOM 705 CA ALA A 58 64.713 43.707-138.446 1.00 0.24 C ATOM 706 C ALA A 58 63.440 43.177-139.101 1.00 0.21 C ATOM 707 O ALA A 58 63.219 43.330-140.287 1.00 0.21 O ATOM 708 CB ALA A 58 65.830 42.668-138.564 1.00 0.24 C ATOM 0 H ALA A 58 65.039 43.522-136.346 1.00 0.25 H new ATOM 0 HA ALA A 58 65.047 44.623-138.933 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.053 42.492-139.616 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.724 43.036-138.060 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.510 41.735-138.100 1.00 0.24 H new ATOM 714 N TRP A 59 62.584 42.577-138.314 1.00 0.19 N ATOM 715 CA TRP A 59 61.310 42.068-138.885 1.00 0.18 C ATOM 716 C TRP A 59 60.299 43.217-139.004 1.00 0.20 C ATOM 717 O TRP A 59 59.753 43.460-140.062 1.00 0.30 O ATOM 718 CB TRP A 59 60.711 40.962-138.019 1.00 0.19 C ATOM 719 CG TRP A 59 59.498 40.456-138.724 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.500 39.504-139.684 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.115 40.875-138.565 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.210 39.315-140.132 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.315 40.135-139.467 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.483 41.814-137.732 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.935 40.323-139.540 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.095 42.005-137.802 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.322 41.261-138.704 1.00 0.39 C ATOM 0 H TRP A 59 62.713 42.421-137.314 1.00 0.19 H new ATOM 0 HA TRP A 59 61.528 41.655-139.870 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.432 40.158-137.869 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.451 41.345-137.032 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.372 38.977-140.042 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.948 38.653-140.863 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.070 42.392-137.034 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.344 39.748-140.237 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.619 42.729-137.157 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.254 41.412-138.753 1.00 0.39 H new ATOM 738 N LYS A 60 60.041 43.931-137.936 1.00 0.27 N ATOM 739 CA LYS A 60 59.062 45.051-138.039 1.00 0.30 C ATOM 740 C LYS A 60 59.370 45.774-139.346 1.00 0.29 C ATOM 741 O LYS A 60 58.494 46.208-140.071 1.00 0.31 O ATOM 742 CB LYS A 60 59.211 46.020-136.860 1.00 0.38 C ATOM 743 CG LYS A 60 60.307 47.045-137.162 1.00 0.42 C ATOM 744 CD LYS A 60 60.497 47.964-135.953 1.00 1.08 C ATOM 745 CE LYS A 60 59.354 48.978-135.900 1.00 1.53 C ATOM 746 NZ LYS A 60 59.691 50.057-134.928 1.00 2.27 N ATOM 0 H LYS A 60 60.458 43.790-137.016 1.00 0.27 H new ATOM 0 HA LYS A 60 58.040 44.672-138.019 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.265 46.530-136.675 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.458 45.468-135.953 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.242 46.535-137.394 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.038 47.633-138.040 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.519 47.376-135.035 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.454 48.482-136.023 1.00 1.08 H new ATOM 0 HE2 LYS A 60 59.186 49.404-136.889 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.429 48.484-135.604 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.914 50.747-134.892 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.831 49.643-133.984 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.564 50.535-135.229 1.00 2.27 H new ATOM 760 N LYS A 61 60.630 45.865-139.661 1.00 0.28 N ATOM 761 CA LYS A 61 61.029 46.515-140.932 1.00 0.30 C ATOM 762 C LYS A 61 60.651 45.578-142.078 1.00 0.27 C ATOM 763 O LYS A 61 60.020 45.978-143.024 1.00 0.35 O ATOM 764 CB LYS A 61 62.538 46.766-140.945 1.00 0.35 C ATOM 765 CG LYS A 61 62.964 47.395-139.616 1.00 0.40 C ATOM 766 CD LYS A 61 63.961 48.523-139.882 1.00 0.77 C ATOM 767 CE LYS A 61 65.288 47.931-140.359 1.00 1.42 C ATOM 768 NZ LYS A 61 65.089 47.265-141.678 1.00 2.43 N ATOM 0 H LYS A 61 61.400 45.516-139.090 1.00 0.28 H new ATOM 0 HA LYS A 61 60.522 47.474-141.039 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.072 45.829-141.103 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.800 47.426-141.772 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.092 47.783-139.089 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.416 46.640-138.973 1.00 0.40 H new ATOM 0 HD2 LYS A 61 63.563 49.204-140.635 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.116 49.106-138.975 1.00 0.77 H new ATOM 0 HE2 LYS A 61 66.039 48.716-140.446 1.00 1.42 H new ATOM 0 HE3 LYS A 61 65.661 47.212-139.629 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 65.991 47.241-142.194 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 64.750 46.293-141.529 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 64.387 47.796-142.232 1.00 2.43 H new ATOM 782 N LEU A 62 61.025 44.328-141.998 1.00 0.24 N ATOM 783 CA LEU A 62 60.668 43.386-143.092 1.00 0.24 C ATOM 784 C LEU A 62 59.208 43.605-143.456 1.00 0.24 C ATOM 785 O LEU A 62 58.871 43.971-144.565 1.00 0.26 O ATOM 786 CB LEU A 62 60.822 41.945-142.605 1.00 0.24 C ATOM 787 CG LEU A 62 62.272 41.485-142.756 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.571 40.412-141.710 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.474 40.891-144.151 1.00 0.41 C ATOM 0 H LEU A 62 61.558 43.924-141.228 1.00 0.24 H new ATOM 0 HA LEU A 62 61.319 43.560-143.949 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.517 41.872-141.561 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.164 41.289-143.175 1.00 0.24 H new ATOM 0 HG LEU A 62 62.940 42.335-142.617 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.604 40.081-141.814 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.421 40.825-140.712 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.902 39.564-141.857 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.508 40.562-144.260 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.807 40.040-144.284 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.252 41.647-144.904 1.00 0.41 H new ATOM 801 N LYS A 63 58.340 43.356-142.521 1.00 0.24 N ATOM 802 CA LYS A 63 56.884 43.515-142.788 1.00 0.26 C ATOM 803 C LYS A 63 56.596 44.935-143.284 1.00 0.29 C ATOM 804 O LYS A 63 55.776 45.140-144.156 1.00 0.30 O ATOM 805 CB LYS A 63 56.090 43.251-141.503 1.00 0.34 C ATOM 806 CG LYS A 63 56.034 44.525-140.652 1.00 0.46 C ATOM 807 CD LYS A 63 55.065 44.324-139.488 1.00 0.41 C ATOM 808 CE LYS A 63 54.051 45.470-139.462 1.00 0.58 C ATOM 809 NZ LYS A 63 54.774 46.773-139.466 1.00 1.20 N ATOM 0 H LYS A 63 58.575 43.047-141.578 1.00 0.24 H new ATOM 0 HA LYS A 63 56.584 42.799-143.553 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.080 42.924-141.750 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.556 42.445-140.936 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.028 44.765-140.273 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.713 45.369-141.263 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.548 43.370-139.592 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.613 44.289-138.547 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.391 45.405-140.327 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.422 45.393-138.575 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 54.382 47.390-138.726 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 55.784 46.610-139.281 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.661 47.230-140.393 1.00 1.20 H new ATOM 823 N LEU A 64 57.256 45.921-142.732 1.00 0.33 N ATOM 824 CA LEU A 64 57.016 47.330-143.163 1.00 0.43 C ATOM 825 C LEU A 64 57.432 47.528-144.622 1.00 0.52 C ATOM 826 O LEU A 64 56.683 48.039-145.432 1.00 0.75 O ATOM 827 CB LEU A 64 57.849 48.248-142.264 1.00 0.38 C ATOM 828 CG LEU A 64 57.046 48.612-141.015 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.973 49.248-139.979 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.943 49.605-141.391 1.00 1.23 C ATOM 0 H LEU A 64 57.955 45.809-141.997 1.00 0.33 H new ATOM 0 HA LEU A 64 55.955 47.564-143.078 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.776 47.751-141.980 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.125 49.152-142.807 1.00 0.38 H new ATOM 0 HG LEU A 64 56.598 47.711-140.596 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.400 49.507-139.089 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.759 48.542-139.712 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.422 50.149-140.397 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.369 49.866-140.502 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.392 50.506-141.810 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.282 49.152-142.129 1.00 1.23 H new ATOM 842 N ASP A 65 58.623 47.135-144.954 1.00 0.45 N ATOM 843 CA ASP A 65 59.111 47.300-146.348 1.00 0.60 C ATOM 844 C ASP A 65 58.477 46.236-147.243 1.00 0.96 C ATOM 845 O ASP A 65 58.665 46.236-148.443 1.00 0.98 O ATOM 846 CB ASP A 65 60.633 47.151-146.375 1.00 0.53 C ATOM 847 CG ASP A 65 61.284 48.507-146.093 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.676 49.513-146.422 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.377 48.517-145.553 1.00 1.14 O ATOM 0 H ASP A 65 59.288 46.701-144.314 1.00 0.45 H new ATOM 0 HA ASP A 65 58.836 48.289-146.714 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.951 46.421-145.630 1.00 0.53 H new ATOM 0 HB3 ASP A 65 60.955 46.776-147.346 1.00 0.53 H new ATOM 854 N GLY A 66 57.723 45.329-146.680 1.00 1.30 N ATOM 855 CA GLY A 66 57.082 44.278-147.517 1.00 1.72 C ATOM 856 C GLY A 66 58.125 43.241-147.935 1.00 0.91 C ATOM 857 O GLY A 66 58.390 43.056-149.106 1.00 1.14 O ATOM 0 H GLY A 66 57.525 45.272-145.681 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.279 43.795-146.959 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.630 44.729-148.400 1.00 1.72 H new ATOM 861 N LEU A 67 58.722 42.557-146.994 1.00 0.37 N ATOM 862 CA LEU A 67 59.738 41.539-147.366 1.00 1.03 C ATOM 863 C LEU A 67 59.188 40.138-147.099 1.00 0.91 C ATOM 864 O LEU A 67 59.390 39.233-147.883 1.00 1.09 O ATOM 865 CB LEU A 67 61.018 41.761-146.561 1.00 1.69 C ATOM 866 CG LEU A 67 61.897 42.796-147.270 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.102 44.005-146.359 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.254 42.171-147.598 1.00 2.68 C ATOM 0 H LEU A 67 58.550 42.660-145.994 1.00 0.37 H new ATOM 0 HA LEU A 67 59.968 41.635-148.427 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.773 42.104-145.556 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.560 40.821-146.453 1.00 1.69 H new ATOM 0 HG LEU A 67 61.409 43.115-148.191 1.00 1.79 H new ATOM 0 HD11 LEU A 67 62.728 44.740-146.865 1.00 2.52 H new ATOM 0 HD12 LEU A 67 61.136 44.451-146.124 1.00 2.52 H new ATOM 0 HD13 LEU A 67 62.589 43.687-145.437 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.881 42.906-148.103 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.740 41.852-146.676 1.00 2.68 H new ATOM 0 HD23 LEU A 67 63.110 41.309-148.249 1.00 2.68 H new ATOM 880 N ASP A 68 58.425 39.958-146.054 1.00 0.69 N ATOM 881 CA ASP A 68 57.787 38.635-145.803 1.00 0.59 C ATOM 882 C ASP A 68 56.293 38.844-146.005 1.00 0.59 C ATOM 883 O ASP A 68 55.659 39.468-145.178 1.00 0.59 O ATOM 884 CB ASP A 68 58.050 38.184-144.359 1.00 0.53 C ATOM 885 CG ASP A 68 57.734 36.690-144.245 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.348 36.111-145.247 1.00 0.97 O ATOM 887 OD2 ASP A 68 57.882 36.151-143.163 1.00 1.19 O ATOM 0 H ASP A 68 58.216 40.676-145.360 1.00 0.69 H new ATOM 0 HA ASP A 68 58.186 37.871-146.470 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.089 38.372-144.088 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.431 38.755-143.666 1.00 0.53 H new ATOM 892 N GLU A 69 55.690 38.401-147.075 1.00 0.63 N ATOM 893 CA GLU A 69 54.242 38.684-147.235 1.00 0.69 C ATOM 894 C GLU A 69 53.388 37.825-146.306 1.00 0.71 C ATOM 895 O GLU A 69 52.182 37.969-146.288 1.00 0.77 O ATOM 896 CB GLU A 69 53.838 38.409-148.684 1.00 0.73 C ATOM 897 CG GLU A 69 54.066 36.931-149.005 1.00 0.75 C ATOM 898 CD GLU A 69 53.723 36.668-150.473 1.00 1.36 C ATOM 899 OE1 GLU A 69 52.546 36.605-150.784 1.00 2.06 O ATOM 900 OE2 GLU A 69 54.645 36.536-151.261 1.00 1.82 O ATOM 0 H GLU A 69 56.127 37.868-147.827 1.00 0.63 H new ATOM 0 HA GLU A 69 54.072 39.729-146.976 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.790 38.668-148.836 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.422 39.033-149.360 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.104 36.661-148.809 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.447 36.308-148.359 1.00 0.75 H new ATOM 907 N ASP A 70 53.951 36.941-145.522 1.00 0.72 N ATOM 908 CA ASP A 70 53.089 36.127-144.619 1.00 0.78 C ATOM 909 C ASP A 70 53.641 36.239-143.195 1.00 0.69 C ATOM 910 O ASP A 70 53.208 35.557-142.288 1.00 0.84 O ATOM 911 CB ASP A 70 53.111 34.664-145.066 1.00 0.83 C ATOM 912 CG ASP A 70 52.664 34.569-146.526 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.753 35.291-146.894 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.241 33.775-147.251 1.00 1.34 O ATOM 0 H ASP A 70 54.952 36.751-145.469 1.00 0.72 H new ATOM 0 HA ASP A 70 52.062 36.490-144.653 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.115 34.254-144.955 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.452 34.070-144.433 1.00 0.83 H new ATOM 919 N GLY A 71 54.585 37.118-143.001 1.00 0.50 N ATOM 920 CA GLY A 71 55.173 37.322-141.648 1.00 0.43 C ATOM 921 C GLY A 71 55.743 36.017-141.081 1.00 0.34 C ATOM 922 O GLY A 71 55.629 35.755-139.900 1.00 0.31 O ATOM 0 H GLY A 71 54.978 37.711-143.732 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.962 38.072-141.702 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.410 37.711-140.973 1.00 0.43 H new ATOM 926 N GLU A 72 56.375 35.200-141.883 1.00 0.36 N ATOM 927 CA GLU A 72 56.949 33.947-141.312 1.00 0.34 C ATOM 928 C GLU A 72 58.199 34.319-140.514 1.00 0.30 C ATOM 929 O GLU A 72 58.342 33.965-139.362 1.00 0.30 O ATOM 930 CB GLU A 72 57.326 32.988-142.445 1.00 0.40 C ATOM 931 CG GLU A 72 57.883 31.692-141.854 1.00 1.23 C ATOM 932 CD GLU A 72 58.432 30.812-142.978 1.00 1.97 C ATOM 933 OE1 GLU A 72 58.364 31.234-144.121 1.00 2.64 O ATOM 934 OE2 GLU A 72 58.912 29.731-142.677 1.00 2.68 O ATOM 0 H GLU A 72 56.516 35.340-142.883 1.00 0.36 H new ATOM 0 HA GLU A 72 56.220 33.456-140.667 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.452 32.773-143.060 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.067 33.451-143.096 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.672 31.917-141.136 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.100 31.161-141.312 1.00 1.23 H new ATOM 941 N LYS A 73 59.103 35.043-141.117 1.00 0.31 N ATOM 942 CA LYS A 73 60.325 35.434-140.358 1.00 0.33 C ATOM 943 C LYS A 73 59.845 35.942-139.002 1.00 0.29 C ATOM 944 O LYS A 73 60.543 35.890-138.000 1.00 0.29 O ATOM 945 CB LYS A 73 61.122 36.521-141.087 1.00 0.38 C ATOM 946 CG LYS A 73 60.349 37.016-142.309 1.00 0.55 C ATOM 947 CD LYS A 73 60.565 36.050-143.479 1.00 1.07 C ATOM 948 CE LYS A 73 62.062 35.928-143.777 1.00 1.38 C ATOM 949 NZ LYS A 73 62.265 35.775-145.245 1.00 2.36 N ATOM 0 H LYS A 73 59.052 35.374-142.080 1.00 0.31 H new ATOM 0 HA LYS A 73 60.996 34.582-140.253 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.318 37.353-140.411 1.00 0.38 H new ATOM 0 HB3 LYS A 73 62.090 36.126-141.396 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.287 37.089-142.075 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.684 38.016-142.583 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.152 35.071-143.236 1.00 1.07 H new ATOM 0 HD3 LYS A 73 60.037 36.409-144.362 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.589 36.812-143.416 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.480 35.070-143.250 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.282 35.692-145.448 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 61.775 34.919-145.576 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 61.880 36.607-145.737 1.00 2.36 H new ATOM 963 N GLU A 74 58.605 36.344-138.956 1.00 0.28 N ATOM 964 CA GLU A 74 58.002 36.778-137.675 1.00 0.28 C ATOM 965 C GLU A 74 57.618 35.498-136.954 1.00 0.26 C ATOM 966 O GLU A 74 57.861 35.311-135.796 1.00 0.27 O ATOM 967 CB GLU A 74 56.739 37.587-137.955 1.00 0.31 C ATOM 968 CG GLU A 74 56.474 38.532-136.790 1.00 0.37 C ATOM 969 CD GLU A 74 54.997 38.468-136.398 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.199 38.078-137.234 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.688 38.809-135.268 1.00 1.14 O ATOM 0 H GLU A 74 57.982 36.389-139.762 1.00 0.28 H new ATOM 0 HA GLU A 74 58.687 37.394-137.092 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.855 38.154-138.879 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.890 36.919-138.096 1.00 0.31 H new ATOM 0 HG2 GLU A 74 57.098 38.259-135.939 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.742 39.551-137.068 1.00 0.37 H new ATOM 978 N ALA A 75 57.050 34.607-137.699 1.00 0.25 N ATOM 979 CA ALA A 75 56.675 33.297-137.117 1.00 0.27 C ATOM 980 C ALA A 75 57.913 32.794-136.406 1.00 0.26 C ATOM 981 O ALA A 75 57.943 32.675-135.200 1.00 0.27 O ATOM 982 CB ALA A 75 56.248 32.321-138.215 1.00 0.30 C ATOM 0 H ALA A 75 56.828 34.726-138.687 1.00 0.25 H new ATOM 0 HA ALA A 75 55.831 33.389-136.434 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.977 31.365-137.767 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.390 32.728-138.750 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.073 32.174-138.912 1.00 0.30 H new ATOM 988 N ARG A 76 58.943 32.505-137.136 1.00 0.28 N ATOM 989 CA ARG A 76 60.180 32.018-136.478 1.00 0.31 C ATOM 990 C ARG A 76 60.472 32.909-135.274 1.00 0.28 C ATOM 991 O ARG A 76 60.748 32.429-134.193 1.00 0.30 O ATOM 992 CB ARG A 76 61.348 32.073-137.464 1.00 0.35 C ATOM 993 CG ARG A 76 61.105 31.074-138.596 1.00 0.66 C ATOM 994 CD ARG A 76 62.387 30.900-139.410 1.00 1.00 C ATOM 995 NE ARG A 76 62.099 30.083-140.622 1.00 1.51 N ATOM 996 CZ ARG A 76 62.953 30.053-141.606 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.063 30.736-141.529 1.00 2.34 N ATOM 998 NH2 ARG A 76 62.700 29.338-142.669 1.00 3.14 N ATOM 0 H ARG A 76 58.985 32.583-138.152 1.00 0.28 H new ATOM 0 HA ARG A 76 60.048 30.986-136.152 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.450 33.080-137.869 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.282 31.839-136.952 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.789 30.115-138.186 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.299 31.427-139.239 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.781 31.874-139.700 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.152 30.414-138.804 1.00 1.00 H new ATOM 0 HE ARG A 76 61.233 29.547-140.682 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.262 31.293-140.698 1.00 2.34 H new ATOM 0 HH12 ARG A 76 64.731 30.712-142.299 1.00 2.34 H new ATOM 0 HH21 ARG A 76 61.834 28.803-142.729 1.00 3.14 H new ATOM 0 HH22 ARG A 76 63.369 29.315-143.439 1.00 3.14 H new ATOM 1012 N LEU A 77 60.413 34.201-135.444 1.00 0.30 N ATOM 1013 CA LEU A 77 60.689 35.105-134.289 1.00 0.31 C ATOM 1014 C LEU A 77 59.750 34.763-133.130 1.00 0.29 C ATOM 1015 O LEU A 77 60.181 34.406-132.053 1.00 0.30 O ATOM 1016 CB LEU A 77 60.476 36.558-134.714 1.00 0.35 C ATOM 1017 CG LEU A 77 61.664 37.015-135.562 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.317 38.328-136.261 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.882 37.225-134.660 1.00 0.38 C ATOM 0 H LEU A 77 60.188 34.668-136.323 1.00 0.30 H new ATOM 0 HA LEU A 77 61.721 34.972-133.965 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.551 36.651-135.283 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.375 37.195-133.835 1.00 0.35 H new ATOM 0 HG LEU A 77 61.890 36.255-136.309 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.164 38.653-136.865 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.449 38.180-136.903 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.090 39.089-135.514 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.730 37.551-135.263 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.655 37.985-133.913 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.131 36.289-134.161 1.00 0.38 H new ATOM 1031 N ILE A 78 58.469 34.862-133.349 1.00 0.29 N ATOM 1032 CA ILE A 78 57.488 34.537-132.276 1.00 0.32 C ATOM 1033 C ILE A 78 57.828 33.178-131.687 1.00 0.30 C ATOM 1034 O ILE A 78 57.860 32.995-130.494 1.00 0.32 O ATOM 1035 CB ILE A 78 56.088 34.491-132.871 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.702 35.895-133.316 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.097 33.996-131.815 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.988 35.821-134.660 1.00 0.37 C ATOM 0 H ILE A 78 58.056 35.157-134.234 1.00 0.29 H new ATOM 0 HA ILE A 78 57.529 35.298-131.497 1.00 0.32 H new ATOM 0 HB ILE A 78 56.068 33.812-133.723 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.054 36.359-132.572 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.591 36.520-133.398 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.095 33.964-132.243 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.384 32.997-131.487 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.105 34.674-130.962 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.711 36.825-134.980 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.651 35.374-135.400 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.090 35.211-134.562 1.00 0.37 H new ATOM 1050 N ARG A 79 58.107 32.228-132.528 1.00 0.29 N ATOM 1051 CA ARG A 79 58.481 30.877-132.011 1.00 0.32 C ATOM 1052 C ARG A 79 59.771 31.015-131.191 1.00 0.26 C ATOM 1053 O ARG A 79 59.981 30.313-130.223 1.00 0.26 O ATOM 1054 CB ARG A 79 58.711 29.917-133.179 1.00 0.38 C ATOM 1055 CG ARG A 79 59.613 28.766-132.725 1.00 0.39 C ATOM 1056 CD ARG A 79 59.531 27.614-133.728 1.00 0.39 C ATOM 1057 NE ARG A 79 58.105 27.360-134.107 1.00 1.50 N ATOM 1058 CZ ARG A 79 57.169 27.274-133.197 1.00 2.14 C ATOM 1059 NH1 ARG A 79 57.474 27.299-131.929 1.00 2.28 N ATOM 1060 NH2 ARG A 79 55.923 27.131-133.561 1.00 3.27 N ATOM 0 H ARG A 79 58.094 32.321-133.544 1.00 0.29 H new ATOM 0 HA ARG A 79 57.679 30.480-131.388 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.758 29.527-133.536 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.171 30.446-134.013 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.643 29.112-132.639 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.308 28.422-131.737 1.00 0.39 H new ATOM 0 HD2 ARG A 79 60.114 27.854-134.617 1.00 0.39 H new ATOM 0 HD3 ARG A 79 59.966 26.713-133.295 1.00 0.39 H new ATOM 0 HE ARG A 79 57.859 27.252-135.091 1.00 1.50 H new ATOM 0 HH11 ARG A 79 58.448 27.386-131.640 1.00 2.28 H new ATOM 0 HH12 ARG A 79 56.738 27.231-131.226 1.00 2.28 H new ATOM 0 HH21 ARG A 79 55.683 27.087-134.551 1.00 3.27 H new ATOM 0 HH22 ARG A 79 55.190 27.064-132.855 1.00 3.27 H new ATOM 1074 N ASN A 80 60.626 31.934-131.563 1.00 0.23 N ATOM 1075 CA ASN A 80 61.890 32.139-130.795 1.00 0.21 C ATOM 1076 C ASN A 80 61.561 32.913-129.522 1.00 0.21 C ATOM 1077 O ASN A 80 62.273 32.856-128.538 1.00 0.22 O ATOM 1078 CB ASN A 80 62.888 32.930-131.643 1.00 0.23 C ATOM 1079 CG ASN A 80 62.956 32.326-133.047 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.940 33.042-134.029 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.030 31.031-133.184 1.00 1.15 N ATOM 0 H ASN A 80 60.503 32.551-132.366 1.00 0.23 H new ATOM 0 HA ASN A 80 62.335 31.177-130.541 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.585 33.975-131.700 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.874 32.909-131.178 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.075 30.618-134.116 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.043 30.431-132.359 1.00 1.15 H new ATOM 1088 N LEU A 81 60.435 33.570-129.512 1.00 0.23 N ATOM 1089 CA LEU A 81 60.005 34.282-128.282 1.00 0.28 C ATOM 1090 C LEU A 81 59.404 33.206-127.398 1.00 0.30 C ATOM 1091 O LEU A 81 59.788 33.005-126.263 1.00 0.31 O ATOM 1092 CB LEU A 81 58.952 35.339-128.625 1.00 0.35 C ATOM 1093 CG LEU A 81 59.630 36.540-129.287 1.00 0.44 C ATOM 1094 CD1 LEU A 81 58.628 37.257-130.195 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.120 37.506-128.208 1.00 1.26 C ATOM 0 H LEU A 81 59.796 33.643-130.303 1.00 0.23 H new ATOM 0 HA LEU A 81 60.831 34.800-127.794 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.202 34.917-129.294 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.431 35.655-127.721 1.00 0.35 H new ATOM 0 HG LEU A 81 60.477 36.197-129.881 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.112 38.113-130.666 1.00 1.28 H new ATOM 0 HD12 LEU A 81 58.277 36.569-130.964 1.00 1.28 H new ATOM 0 HD13 LEU A 81 57.781 37.601-129.602 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.603 38.362-128.678 1.00 1.26 H new ATOM 0 HD22 LEU A 81 59.272 37.849-127.614 1.00 1.26 H new ATOM 0 HD23 LEU A 81 60.834 36.997-127.561 1.00 1.26 H new ATOM 1107 N ASN A 82 58.489 32.477-127.962 1.00 0.35 N ATOM 1108 CA ASN A 82 57.856 31.351-127.250 1.00 0.42 C ATOM 1109 C ASN A 82 58.957 30.507-126.619 1.00 0.37 C ATOM 1110 O ASN A 82 59.009 30.335-125.418 1.00 0.38 O ATOM 1111 CB ASN A 82 57.072 30.533-128.286 1.00 0.51 C ATOM 1112 CG ASN A 82 55.657 31.100-128.420 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.709 30.519-127.928 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.473 32.217-129.069 1.00 0.98 N ATOM 0 H ASN A 82 58.148 32.622-128.912 1.00 0.35 H new ATOM 0 HA ASN A 82 57.180 31.692-126.466 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.580 30.564-129.250 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.029 29.487-127.982 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.534 32.603-129.164 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.269 32.704-129.482 1.00 0.98 H new ATOM 1121 N VAL A 83 59.851 29.998-127.415 1.00 0.35 N ATOM 1122 CA VAL A 83 60.962 29.188-126.853 1.00 0.36 C ATOM 1123 C VAL A 83 61.663 30.012-125.775 1.00 0.32 C ATOM 1124 O VAL A 83 61.850 29.565-124.665 1.00 0.35 O ATOM 1125 CB VAL A 83 61.956 28.838-127.961 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.996 27.854-127.420 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.210 28.197-129.132 1.00 0.44 C ATOM 0 H VAL A 83 59.861 30.108-128.429 1.00 0.35 H new ATOM 0 HA VAL A 83 60.572 28.265-126.425 1.00 0.36 H new ATOM 0 HB VAL A 83 62.455 29.745-128.301 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.705 27.604-128.209 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.528 28.310-126.585 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.496 26.947-127.080 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.918 27.947-129.922 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.711 27.290-128.792 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.468 28.897-129.518 1.00 0.44 H new ATOM 1137 N ILE A 84 62.052 31.219-126.093 1.00 0.27 N ATOM 1138 CA ILE A 84 62.734 32.049-125.068 1.00 0.30 C ATOM 1139 C ILE A 84 61.972 31.912-123.753 1.00 0.31 C ATOM 1140 O ILE A 84 62.544 31.630-122.713 1.00 0.37 O ATOM 1141 CB ILE A 84 62.749 33.511-125.494 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.928 33.742-126.435 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.907 34.395-124.253 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.623 34.930-127.338 1.00 0.37 C ATOM 0 H ILE A 84 61.928 31.657-127.006 1.00 0.27 H new ATOM 0 HA ILE A 84 63.764 31.711-124.950 1.00 0.30 H new ATOM 0 HB ILE A 84 61.818 33.760-126.003 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.835 33.930-125.861 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.109 32.851-127.036 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.918 35.443-124.552 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.073 34.221-123.573 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.842 34.151-123.749 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.462 35.099-128.012 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.725 34.723-127.921 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.463 35.819-126.728 1.00 0.37 H new ATOM 1156 N LEU A 85 60.677 32.099-123.784 1.00 0.35 N ATOM 1157 CA LEU A 85 59.895 31.966-122.525 1.00 0.42 C ATOM 1158 C LEU A 85 59.998 30.526-122.037 1.00 0.42 C ATOM 1159 O LEU A 85 60.457 30.266-120.955 1.00 0.47 O ATOM 1160 CB LEU A 85 58.423 32.302-122.772 1.00 0.54 C ATOM 1161 CG LEU A 85 58.209 33.820-122.796 1.00 0.61 C ATOM 1162 CD1 LEU A 85 57.828 34.302-121.397 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.490 34.524-123.245 1.00 0.61 C ATOM 0 H LEU A 85 60.136 32.335-124.616 1.00 0.35 H new ATOM 0 HA LEU A 85 60.295 32.655-121.781 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.100 31.869-123.719 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.807 31.855-121.991 1.00 0.54 H new ATOM 0 HG LEU A 85 57.408 34.056-123.497 1.00 0.61 H new ATOM 0 HD11 LEU A 85 57.676 35.381-121.413 1.00 0.69 H new ATOM 0 HD12 LEU A 85 56.908 33.810-121.081 1.00 0.69 H new ATOM 0 HD13 LEU A 85 58.628 34.059-120.698 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.327 35.602-123.259 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.297 34.288-122.552 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.760 34.185-124.245 1.00 0.61 H new ATOM 1175 N ALA A 86 59.585 29.585-122.834 1.00 0.47 N ATOM 1176 CA ALA A 86 59.675 28.161-122.408 1.00 0.58 C ATOM 1177 C ALA A 86 61.081 27.890-121.866 1.00 0.59 C ATOM 1178 O ALA A 86 61.327 26.902-121.201 1.00 0.73 O ATOM 1179 CB ALA A 86 59.409 27.257-123.612 1.00 0.64 C ATOM 0 H ALA A 86 59.189 29.738-123.761 1.00 0.47 H new ATOM 0 HA ALA A 86 58.937 27.958-121.632 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.474 26.213-123.305 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.412 27.458-124.005 1.00 0.64 H new ATOM 0 HB3 ALA A 86 60.151 27.454-124.386 1.00 0.64 H new ATOM 1185 N LYS A 87 62.009 28.754-122.169 1.00 0.50 N ATOM 1186 CA LYS A 87 63.412 28.558-121.707 1.00 0.60 C ATOM 1187 C LYS A 87 63.595 29.126-120.306 1.00 0.58 C ATOM 1188 O LYS A 87 64.180 28.501-119.443 1.00 0.71 O ATOM 1189 CB LYS A 87 64.346 29.294-122.658 1.00 0.61 C ATOM 1190 CG LYS A 87 65.734 28.653-122.615 1.00 0.82 C ATOM 1191 CD LYS A 87 66.707 29.479-123.459 1.00 0.99 C ATOM 1192 CE LYS A 87 68.099 28.845-123.400 1.00 1.63 C ATOM 1193 NZ LYS A 87 69.074 29.722-124.107 1.00 2.02 N ATOM 0 H LYS A 87 61.854 29.596-122.723 1.00 0.50 H new ATOM 0 HA LYS A 87 63.637 27.491-121.691 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.950 29.258-123.673 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.411 30.345-122.378 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.088 28.596-121.586 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.686 27.632-122.993 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.360 29.526-124.491 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.746 30.504-123.089 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.404 28.707-122.363 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.081 27.858-123.861 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 70.020 29.292-124.067 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.785 29.832-125.100 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 69.098 30.655-123.648 1.00 2.02 H new ATOM 1207 N TYR A 88 63.100 30.303-120.067 1.00 0.45 N ATOM 1208 CA TYR A 88 63.252 30.896-118.710 1.00 0.47 C ATOM 1209 C TYR A 88 62.133 30.369-117.824 1.00 0.54 C ATOM 1210 O TYR A 88 62.217 30.358-116.612 1.00 0.58 O ATOM 1211 CB TYR A 88 63.198 32.418-118.811 1.00 0.44 C ATOM 1212 CG TYR A 88 64.445 32.888-119.517 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.656 32.961-118.820 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.396 33.231-120.873 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.819 33.378-119.478 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.559 33.646-121.532 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.771 33.721-120.834 1.00 0.61 C ATOM 1218 OH TYR A 88 67.917 34.129-121.483 1.00 0.73 O ATOM 0 H TYR A 88 62.600 30.879-120.745 1.00 0.45 H new ATOM 0 HA TYR A 88 64.212 30.618-118.275 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.310 32.731-119.360 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.133 32.863-117.818 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.693 32.695-117.774 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.461 33.175-121.411 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.753 33.435-118.939 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.522 33.908-122.579 1.00 0.62 H new ATOM 0 HH TYR A 88 67.879 33.849-122.421 1.00 0.73 H new ATOM 1228 N GLY A 89 61.081 29.947-118.444 1.00 0.59 N ATOM 1229 CA GLY A 89 59.920 29.426-117.678 1.00 0.69 C ATOM 1230 C GLY A 89 59.004 30.595-117.330 1.00 0.77 C ATOM 1231 O GLY A 89 58.503 30.700-116.228 1.00 1.09 O ATOM 0 H GLY A 89 60.969 29.938-119.458 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.380 28.684-118.267 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.259 28.927-116.770 1.00 0.69 H new ATOM 1235 N LEU A 90 58.762 31.461-118.273 1.00 0.65 N ATOM 1236 CA LEU A 90 57.853 32.616-118.014 1.00 0.75 C ATOM 1237 C LEU A 90 56.565 32.413-118.821 1.00 0.80 C ATOM 1238 O LEU A 90 55.651 33.211-118.761 1.00 1.31 O ATOM 1239 CB LEU A 90 58.527 33.920-118.454 1.00 0.82 C ATOM 1240 CG LEU A 90 59.000 34.717-117.232 1.00 1.03 C ATOM 1241 CD1 LEU A 90 60.506 34.969-117.337 1.00 1.50 C ATOM 1242 CD2 LEU A 90 58.265 36.060-117.193 1.00 1.68 C ATOM 0 H LEU A 90 59.154 31.421-119.214 1.00 0.65 H new ATOM 0 HA LEU A 90 57.628 32.676-116.949 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.375 33.698-119.102 1.00 0.82 H new ATOM 0 HB3 LEU A 90 57.828 34.519-119.038 1.00 0.82 H new ATOM 0 HG LEU A 90 58.788 34.153-116.324 1.00 1.03 H new ATOM 0 HD11 LEU A 90 60.842 35.535-116.468 1.00 1.50 H new ATOM 0 HD12 LEU A 90 61.033 34.015-117.374 1.00 1.50 H new ATOM 0 HD13 LEU A 90 60.718 35.536-118.244 1.00 1.50 H new ATOM 0 HD21 LEU A 90 58.597 36.631-116.326 1.00 1.68 H new ATOM 0 HD22 LEU A 90 58.483 36.620-118.102 1.00 1.68 H new ATOM 0 HD23 LEU A 90 57.191 35.885-117.123 1.00 1.68 H new ATOM 1254 N ASP A 91 56.486 31.340-119.566 1.00 0.77 N ATOM 1255 CA ASP A 91 55.261 31.067-120.366 1.00 0.87 C ATOM 1256 C ASP A 91 54.756 29.667-120.025 1.00 1.30 C ATOM 1257 O ASP A 91 54.990 28.726-120.758 1.00 1.70 O ATOM 1258 CB ASP A 91 55.567 31.106-121.863 1.00 1.04 C ATOM 1259 CG ASP A 91 55.570 32.556-122.353 1.00 0.99 C ATOM 1260 OD1 ASP A 91 55.347 33.437-121.539 1.00 0.84 O ATOM 1261 OD2 ASP A 91 55.793 32.757-123.535 1.00 1.42 O ATOM 0 H ASP A 91 57.223 30.640-119.653 1.00 0.77 H new ATOM 0 HA ASP A 91 54.517 31.828-120.131 1.00 0.87 H new ATOM 0 HB2 ASP A 91 56.535 30.644-122.058 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.822 30.529-122.411 1.00 1.04 H new ATOM 1266 N GLY A 92 54.066 29.502-118.934 1.00 1.77 N ATOM 1267 CA GLY A 92 53.563 28.144-118.582 1.00 2.22 C ATOM 1268 C GLY A 92 53.933 27.816-117.134 1.00 2.72 C ATOM 1269 O GLY A 92 55.079 27.905-116.742 1.00 3.30 O ATOM 0 H GLY A 92 53.829 30.242-118.273 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.481 28.102-118.709 1.00 2.22 H new ATOM 0 HA3 GLY A 92 53.992 27.401-119.254 1.00 2.22 H new ATOM 1273 N LYS A 93 52.971 27.433-116.338 1.00 3.13 N ATOM 1274 CA LYS A 93 53.266 27.096-114.915 1.00 3.96 C ATOM 1275 C LYS A 93 53.377 28.381-114.092 1.00 4.22 C ATOM 1276 O LYS A 93 52.672 29.343-114.327 1.00 4.63 O ATOM 1277 CB LYS A 93 54.585 26.323-114.835 1.00 4.60 C ATOM 1278 CG LYS A 93 54.572 25.416-113.603 1.00 4.79 C ATOM 1279 CD LYS A 93 53.934 24.072-113.963 1.00 5.91 C ATOM 1280 CE LYS A 93 54.225 23.057-112.857 1.00 6.60 C ATOM 1281 NZ LYS A 93 53.996 21.678-113.375 1.00 6.86 N ATOM 0 H LYS A 93 51.993 27.339-116.612 1.00 3.13 H new ATOM 0 HA LYS A 93 52.459 26.481-114.516 1.00 3.96 H new ATOM 0 HB2 LYS A 93 54.725 25.727-115.737 1.00 4.60 H new ATOM 0 HB3 LYS A 93 55.423 27.018-114.779 1.00 4.60 H new ATOM 0 HG2 LYS A 93 55.589 25.262-113.241 1.00 4.79 H new ATOM 0 HG3 LYS A 93 54.014 25.890-112.795 1.00 4.79 H new ATOM 0 HD2 LYS A 93 52.858 24.190-114.089 1.00 5.91 H new ATOM 0 HD3 LYS A 93 54.328 23.713-114.914 1.00 5.91 H new ATOM 0 HE2 LYS A 93 55.254 23.162-112.514 1.00 6.60 H new ATOM 0 HE3 LYS A 93 53.582 23.245-111.997 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 54.194 20.987-112.623 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 53.007 21.582-113.682 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 54.627 21.501-114.182 1.00 6.86 H new ATOM 1295 N LYS A 94 54.258 28.404-113.129 1.00 4.52 N ATOM 1296 CA LYS A 94 54.421 29.625-112.288 1.00 5.25 C ATOM 1297 C LYS A 94 55.509 29.374-111.241 1.00 5.64 C ATOM 1298 O LYS A 94 55.239 29.273-110.062 1.00 6.30 O ATOM 1299 CB LYS A 94 53.099 29.942-111.582 1.00 6.00 C ATOM 1300 CG LYS A 94 53.261 31.205-110.732 1.00 6.18 C ATOM 1301 CD LYS A 94 53.052 32.442-111.608 1.00 7.02 C ATOM 1302 CE LYS A 94 53.249 33.703-110.765 1.00 7.55 C ATOM 1303 NZ LYS A 94 53.657 34.833-111.647 1.00 7.75 N ATOM 0 H LYS A 94 54.874 27.628-112.888 1.00 4.52 H new ATOM 0 HA LYS A 94 54.705 30.467-112.919 1.00 5.25 H new ATOM 0 HB2 LYS A 94 52.308 30.085-112.318 1.00 6.00 H new ATOM 0 HB3 LYS A 94 52.801 29.104-110.953 1.00 6.00 H new ATOM 0 HG2 LYS A 94 52.541 31.200-109.914 1.00 6.18 H new ATOM 0 HG3 LYS A 94 54.254 31.228-110.283 1.00 6.18 H new ATOM 0 HD2 LYS A 94 53.756 32.434-112.440 1.00 7.02 H new ATOM 0 HD3 LYS A 94 52.050 32.432-112.038 1.00 7.02 H new ATOM 0 HE2 LYS A 94 52.326 33.951-110.242 1.00 7.55 H new ATOM 0 HE3 LYS A 94 54.010 33.529-110.004 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 53.791 35.690-111.073 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 54.548 34.595-112.127 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 52.917 35.004-112.357 1.00 7.75 H new ATOM 1317 N ASP A 95 56.739 29.269-111.666 1.00 5.55 N ATOM 1318 CA ASP A 95 57.840 29.020-110.692 1.00 6.18 C ATOM 1319 C ASP A 95 59.173 29.489-111.278 1.00 6.72 C ATOM 1320 O ASP A 95 59.376 29.483-112.475 1.00 7.02 O ATOM 1321 CB ASP A 95 57.918 27.523-110.386 1.00 6.12 C ATOM 1322 CG ASP A 95 58.813 27.297-109.165 1.00 6.05 C ATOM 1323 OD1 ASP A 95 58.355 27.552-108.064 1.00 6.22 O ATOM 1324 OD2 ASP A 95 59.942 26.874-109.353 1.00 6.23 O ATOM 0 H ASP A 95 57.028 29.344-112.641 1.00 5.55 H new ATOM 0 HA ASP A 95 57.638 29.574-109.775 1.00 6.18 H new ATOM 0 HB2 ASP A 95 56.920 27.127-110.197 1.00 6.12 H new ATOM 0 HB3 ASP A 95 58.316 26.985-111.247 1.00 6.12 H new ATOM 1329 N ALA A 96 60.084 29.893-110.435 1.00 7.12 N ATOM 1330 CA ALA A 96 61.411 30.360-110.928 1.00 7.86 C ATOM 1331 C ALA A 96 62.497 29.899-109.955 1.00 8.30 C ATOM 1332 O ALA A 96 62.257 29.742-108.774 1.00 8.93 O ATOM 1333 CB ALA A 96 61.416 31.888-111.013 1.00 8.22 C ATOM 0 H ALA A 96 59.966 29.920-109.422 1.00 7.12 H new ATOM 0 HA ALA A 96 61.603 29.944-111.917 1.00 7.86 H new ATOM 0 HB1 ALA A 96 62.386 32.229-111.373 1.00 8.22 H new ATOM 0 HB2 ALA A 96 60.637 32.217-111.701 1.00 8.22 H new ATOM 0 HB3 ALA A 96 61.228 32.308-110.025 1.00 8.22 H new ATOM 1339 N ARG A 97 63.689 29.676-110.437 1.00 8.23 N ATOM 1340 CA ARG A 97 64.782 29.223-109.531 1.00 8.95 C ATOM 1341 C ARG A 97 66.129 29.717-110.064 1.00 9.53 C ATOM 1342 O ARG A 97 66.191 30.500-110.990 1.00 9.76 O ATOM 1343 CB ARG A 97 64.789 27.694-109.468 1.00 8.85 C ATOM 1344 CG ARG A 97 63.535 27.207-108.738 1.00 8.58 C ATOM 1345 CD ARG A 97 63.691 25.726-108.387 1.00 8.65 C ATOM 1346 NE ARG A 97 62.347 25.083-108.331 1.00 9.34 N ATOM 1347 CZ ARG A 97 62.245 23.782-108.345 1.00 9.46 C ATOM 1348 NH1 ARG A 97 63.318 23.043-108.408 1.00 9.01 N ATOM 1349 NH2 ARG A 97 61.068 23.220-108.296 1.00 10.30 N ATOM 0 H ARG A 97 63.953 29.787-111.416 1.00 8.23 H new ATOM 0 HA ARG A 97 64.617 29.629-108.533 1.00 8.95 H new ATOM 0 HB2 ARG A 97 64.821 27.278-110.475 1.00 8.85 H new ATOM 0 HB3 ARG A 97 65.683 27.345-108.951 1.00 8.85 H new ATOM 0 HG2 ARG A 97 63.379 27.792-107.832 1.00 8.58 H new ATOM 0 HG3 ARG A 97 62.656 27.352-109.366 1.00 8.58 H new ATOM 0 HD2 ARG A 97 64.313 25.229-109.131 1.00 8.65 H new ATOM 0 HD3 ARG A 97 64.197 25.620-107.427 1.00 8.65 H new ATOM 0 HE ARG A 97 61.507 25.660-108.282 1.00 9.34 H new ATOM 0 HH11 ARG A 97 64.238 23.482-108.446 1.00 9.01 H new ATOM 0 HH12 ARG A 97 63.237 22.026-108.419 1.00 9.01 H new ATOM 0 HH21 ARG A 97 60.229 23.798-108.247 1.00 10.30 H new ATOM 0 HH22 ARG A 97 60.987 22.203-108.307 1.00 10.30 H new ATOM 1363 N GLN A 98 67.206 29.263-109.486 1.00 9.97 N ATOM 1364 CA GLN A 98 68.548 29.705-109.957 1.00 10.76 C ATOM 1365 C GLN A 98 68.978 28.847-111.149 1.00 10.99 C ATOM 1366 CB GLN A 98 69.563 29.548-108.822 1.00 11.07 C ATOM 1367 CG GLN A 98 69.545 28.104-108.318 1.00 11.38 C ATOM 1368 CD GLN A 98 68.641 28.003-107.088 1.00 11.58 C ATOM 1369 OE1 GLN A 98 68.397 28.987-106.416 1.00 11.67 O ATOM 1370 NE2 GLN A 98 68.129 26.848-106.761 1.00 11.85 N ATOM 0 H GLN A 98 67.215 28.604-108.707 1.00 9.97 H new ATOM 0 HA GLN A 98 68.501 30.751-110.261 1.00 10.76 H new ATOM 0 HB2 GLN A 98 70.561 29.809-109.174 1.00 11.07 H new ATOM 0 HB3 GLN A 98 69.323 30.232-108.008 1.00 11.07 H new ATOM 0 HG2 GLN A 98 69.185 27.438-109.103 1.00 11.38 H new ATOM 0 HG3 GLN A 98 70.556 27.783-108.067 1.00 11.38 H new ATOM 0 HE21 GLN A 98 68.333 26.022-107.324 1.00 11.85 H new ATOM 0 HE22 GLN A 98 67.525 26.771-105.943 1.00 11.85 H new TER 1379 GLN A 98