USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=8 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 -145:sc= -0.455 (180deg=-2.73!) USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= -4.68! (180deg=-6.37!) USER MOD Single : A 26 ASN : amide:sc= -6.95! C(o=-6.9!,f=-17!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= -0.285 (180deg=-1.46!) USER MOD Single : A 33 GLN : amide:sc= -3.46! K(o=-3.5!,f=-0.66) USER MOD Single : A 36 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-0.46) USER MOD Single : A 46 HIS : no HD1:sc= -6.78! K(o=-6.8!,f=-2.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -13.6! C(o=-14!,f=-18!) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -3.33! (180deg=-4.12!) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= -0.551 (180deg=-0.964) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -5.22! C(o=-5.2!,f=-11!) USER MOD Single : A 82 ASN : amide:sc= -3.64 K(o=-3.6,f=-2.1!) USER MOD Single : A 87 LYS NZ :NH3+ -161:sc=-0.00214 (180deg=-0.105) USER MOD Single : A 88 TYR OH : rot -11:sc= -4.65! USER MOD Single : A 93 LYS NZ :NH3+ -150:sc= -1.54 (180deg=-2.16!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.429 K(o=0.43,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 62.021 55.180-128.410 1.00 3.57 N ATOM 2 CA GLY A 17 63.026 54.036-128.278 1.00 2.94 C ATOM 3 C GLY A 17 62.752 52.928-127.318 1.00 2.17 C ATOM 4 O GLY A 17 62.777 51.770-127.677 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.146 53.591-129.266 1.00 2.94 H new ATOM 0 HA3 GLY A 17 63.986 54.474-128.007 1.00 2.94 H new ATOM 8 N GLU A 18 62.466 53.259-126.086 1.00 1.64 N ATOM 9 CA GLU A 18 62.162 52.212-125.062 1.00 0.99 C ATOM 10 C GLU A 18 63.039 50.973-125.274 1.00 0.98 C ATOM 11 O GLU A 18 63.263 50.540-126.385 1.00 1.60 O ATOM 12 CB GLU A 18 60.689 51.811-125.173 1.00 1.22 C ATOM 13 CG GLU A 18 59.818 53.068-125.204 1.00 1.64 C ATOM 14 CD GLU A 18 58.358 52.680-124.962 1.00 2.48 C ATOM 15 OE1 GLU A 18 57.806 51.977-125.792 1.00 3.13 O ATOM 16 OE2 GLU A 18 57.816 53.094-123.950 1.00 3.09 O ATOM 0 H GLU A 18 62.429 54.218-125.741 1.00 1.64 H new ATOM 0 HA GLU A 18 62.368 52.621-124.073 1.00 0.99 H new ATOM 0 HB2 GLU A 18 60.529 51.222-126.076 1.00 1.22 H new ATOM 0 HB3 GLU A 18 60.408 51.182-124.328 1.00 1.22 H new ATOM 0 HG2 GLU A 18 60.150 53.773-124.441 1.00 1.64 H new ATOM 0 HG3 GLU A 18 59.918 53.569-126.167 1.00 1.64 H new ATOM 23 N GLU A 19 63.523 50.391-124.206 1.00 0.57 N ATOM 24 CA GLU A 19 64.370 49.166-124.337 1.00 0.55 C ATOM 25 C GLU A 19 64.247 48.625-125.762 1.00 0.56 C ATOM 26 O GLU A 19 65.166 48.704-126.553 1.00 0.63 O ATOM 27 CB GLU A 19 63.887 48.111-123.340 1.00 0.45 C ATOM 28 CG GLU A 19 62.358 48.055-123.359 1.00 0.38 C ATOM 29 CD GLU A 19 61.899 46.664-123.798 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.493 45.697-123.350 1.00 2.06 O ATOM 31 OE2 GLU A 19 60.960 46.590-124.574 1.00 1.96 O ATOM 0 H GLU A 19 63.369 50.711-123.250 1.00 0.57 H new ATOM 0 HA GLU A 19 65.412 49.409-124.129 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.301 47.136-123.597 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.240 48.353-122.338 1.00 0.45 H new ATOM 0 HG2 GLU A 19 61.964 48.283-122.369 1.00 0.38 H new ATOM 0 HG3 GLU A 19 61.965 48.810-124.040 1.00 0.38 H new ATOM 38 N PHE A 20 63.102 48.109-126.100 1.00 0.51 N ATOM 39 CA PHE A 20 62.877 47.594-127.479 1.00 0.54 C ATOM 40 C PHE A 20 61.864 48.513-128.148 1.00 0.55 C ATOM 41 O PHE A 20 61.531 49.553-127.614 1.00 0.57 O ATOM 42 CB PHE A 20 62.315 46.174-127.413 1.00 0.52 C ATOM 43 CG PHE A 20 63.263 45.304-126.630 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.604 45.206-127.011 1.00 0.80 C ATOM 45 CD2 PHE A 20 62.795 44.600-125.519 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.481 44.401-126.275 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.670 43.795-124.782 1.00 0.51 C ATOM 48 CZ PHE A 20 65.013 43.694-125.159 1.00 0.56 C ATOM 0 H PHE A 20 62.302 48.020-125.473 1.00 0.51 H new ATOM 0 HA PHE A 20 63.811 47.572-128.040 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.333 46.180-126.940 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.182 45.775-128.419 1.00 0.52 H new ATOM 0 HD1 PHE A 20 64.963 45.750-127.872 1.00 0.80 H new ATOM 0 HD2 PHE A 20 61.758 44.677-125.229 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.518 44.325-126.567 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.308 43.251-123.922 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.689 43.072-124.591 1.00 0.56 H new ATOM 58 N ARG A 21 61.351 48.168-129.293 1.00 0.57 N ATOM 59 CA ARG A 21 60.353 49.061-129.941 1.00 0.60 C ATOM 60 C ARG A 21 59.107 48.240-130.247 1.00 0.57 C ATOM 61 O ARG A 21 58.178 48.700-130.882 1.00 0.59 O ATOM 62 CB ARG A 21 60.931 49.602-131.245 1.00 0.69 C ATOM 63 CG ARG A 21 62.261 50.306-130.967 1.00 0.74 C ATOM 64 CD ARG A 21 62.635 51.180-132.165 1.00 0.82 C ATOM 65 NE ARG A 21 61.493 52.075-132.503 1.00 1.35 N ATOM 66 CZ ARG A 21 61.678 53.101-133.289 1.00 1.78 C ATOM 67 NH1 ARG A 21 62.862 53.341-133.780 1.00 2.06 N ATOM 68 NH2 ARG A 21 60.677 53.886-133.583 1.00 2.72 N ATOM 0 H ARG A 21 61.576 47.315-129.805 1.00 0.57 H new ATOM 0 HA ARG A 21 60.107 49.894-129.283 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.081 48.787-131.953 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.229 50.298-131.704 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.180 50.917-130.068 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.043 49.569-130.782 1.00 0.74 H new ATOM 0 HD2 ARG A 21 63.520 51.773-131.934 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.886 50.554-133.021 1.00 0.82 H new ATOM 0 HE ARG A 21 60.567 51.886-132.120 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.643 52.727-133.550 1.00 2.06 H new ATOM 0 HH12 ARG A 21 63.007 54.143-134.394 1.00 2.06 H new ATOM 0 HH21 ARG A 21 59.751 53.698-133.199 1.00 2.72 H new ATOM 0 HH22 ARG A 21 60.821 54.688-134.197 1.00 2.72 H new ATOM 82 N MET A 22 59.087 47.020-129.793 1.00 0.54 N ATOM 83 CA MET A 22 57.910 46.146-130.042 1.00 0.55 C ATOM 84 C MET A 22 57.136 45.948-128.739 1.00 0.49 C ATOM 85 O MET A 22 57.694 45.610-127.708 1.00 0.63 O ATOM 86 CB MET A 22 58.376 44.790-130.561 1.00 0.61 C ATOM 87 CG MET A 22 58.928 44.946-131.978 1.00 0.71 C ATOM 88 SD MET A 22 57.588 45.413-133.100 1.00 1.14 S ATOM 89 CE MET A 22 56.925 43.750-133.370 1.00 1.25 C ATOM 0 H MET A 22 59.840 46.588-129.257 1.00 0.54 H new ATOM 0 HA MET A 22 57.265 46.617-130.784 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.144 44.382-129.904 1.00 0.61 H new ATOM 0 HB3 MET A 22 57.546 44.084-130.559 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.710 45.705-131.993 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.383 44.012-132.307 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.564 43.664-134.395 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.710 43.013-133.199 1.00 1.25 H new ATOM 0 HE3 MET A 22 56.101 43.570-132.679 1.00 1.25 H new ATOM 99 N GLU A 23 55.853 46.157-128.780 1.00 0.47 N ATOM 100 CA GLU A 23 55.037 45.987-127.552 1.00 0.46 C ATOM 101 C GLU A 23 55.258 44.593-126.972 1.00 0.50 C ATOM 102 O GLU A 23 55.343 44.424-125.772 1.00 0.50 O ATOM 103 CB GLU A 23 53.556 46.174-127.890 1.00 0.50 C ATOM 104 CG GLU A 23 53.310 47.619-128.327 1.00 1.45 C ATOM 105 CD GLU A 23 52.948 48.467-127.106 1.00 2.02 C ATOM 106 OE1 GLU A 23 52.945 47.926-126.013 1.00 2.48 O ATOM 107 OE2 GLU A 23 52.679 49.644-127.285 1.00 2.68 O ATOM 0 H GLU A 23 55.334 46.438-129.612 1.00 0.47 H new ATOM 0 HA GLU A 23 55.338 46.733-126.816 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.264 45.488-128.685 1.00 0.50 H new ATOM 0 HB3 GLU A 23 52.941 45.936-127.022 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.201 48.020-128.811 1.00 1.45 H new ATOM 0 HG3 GLU A 23 52.505 47.656-129.061 1.00 1.45 H new ATOM 114 N LYS A 24 55.344 43.586-127.799 1.00 0.54 N ATOM 115 CA LYS A 24 55.545 42.213-127.265 1.00 0.59 C ATOM 116 C LYS A 24 56.845 42.139-126.469 1.00 0.53 C ATOM 117 O LYS A 24 56.852 41.723-125.326 1.00 0.55 O ATOM 118 CB LYS A 24 55.593 41.211-128.422 1.00 0.67 C ATOM 119 CG LYS A 24 56.704 41.603-129.396 1.00 0.64 C ATOM 120 CD LYS A 24 56.188 41.488-130.832 1.00 0.77 C ATOM 121 CE LYS A 24 55.657 40.074-131.073 1.00 1.46 C ATOM 122 NZ LYS A 24 56.386 39.114-130.197 1.00 2.09 N ATOM 0 H LYS A 24 55.284 43.656-128.815 1.00 0.54 H new ATOM 0 HA LYS A 24 54.713 41.968-126.605 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.770 40.206-128.039 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.633 41.191-128.939 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.033 42.623-129.197 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.570 40.956-129.256 1.00 0.64 H new ATOM 0 HD2 LYS A 24 55.398 42.219-131.005 1.00 0.77 H new ATOM 0 HD3 LYS A 24 56.989 41.712-131.536 1.00 0.77 H new ATOM 0 HE2 LYS A 24 54.588 40.035-130.863 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.787 39.799-132.120 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.359 38.166-130.623 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.375 39.419-130.095 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 55.934 39.086-129.261 1.00 2.09 H new ATOM 136 N LEU A 25 57.954 42.512-127.049 1.00 0.47 N ATOM 137 CA LEU A 25 59.247 42.434-126.317 1.00 0.42 C ATOM 138 C LEU A 25 59.230 43.298-125.062 1.00 0.39 C ATOM 139 O LEU A 25 59.844 42.960-124.070 1.00 0.55 O ATOM 140 CB LEU A 25 60.360 42.941-127.235 1.00 0.43 C ATOM 141 CG LEU A 25 60.899 41.803-128.092 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.028 42.278-129.543 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.276 41.399-127.564 1.00 1.03 C ATOM 0 H LEU A 25 58.018 42.869-128.002 1.00 0.47 H new ATOM 0 HA LEU A 25 59.413 41.397-126.024 1.00 0.42 H new ATOM 0 HB2 LEU A 25 59.979 43.737-127.874 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.166 43.369-126.639 1.00 0.43 H new ATOM 0 HG LEU A 25 60.221 40.951-128.050 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.414 41.466-130.159 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.049 42.582-129.915 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.713 43.125-129.589 1.00 0.92 H new ATOM 0 HD21 LEU A 25 62.673 40.584-128.170 1.00 1.03 H new ATOM 0 HD22 LEU A 25 62.951 42.253-127.617 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.187 41.071-126.528 1.00 1.03 H new ATOM 155 N ASN A 26 58.527 44.393-125.065 1.00 0.39 N ATOM 156 CA ASN A 26 58.497 45.215-123.828 1.00 0.37 C ATOM 157 C ASN A 26 57.681 44.455-122.789 1.00 0.40 C ATOM 158 O ASN A 26 58.129 44.188-121.691 1.00 0.40 O ATOM 159 CB ASN A 26 57.838 46.566-124.115 1.00 0.41 C ATOM 160 CG ASN A 26 58.416 47.155-125.401 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.049 46.459-126.171 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.226 48.417-125.671 1.00 0.45 N ATOM 0 H ASN A 26 57.983 44.749-125.851 1.00 0.39 H new ATOM 0 HA ASN A 26 59.509 45.396-123.466 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.759 46.443-124.212 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.007 47.249-123.282 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.608 48.819-126.527 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.695 49.002-125.026 1.00 0.45 H new ATOM 169 N GLN A 27 56.479 44.108-123.142 1.00 0.44 N ATOM 170 CA GLN A 27 55.610 43.368-122.199 1.00 0.50 C ATOM 171 C GLN A 27 56.415 42.240-121.562 1.00 0.47 C ATOM 172 O GLN A 27 56.418 42.084-120.357 1.00 0.48 O ATOM 173 CB GLN A 27 54.408 42.788-122.947 1.00 0.59 C ATOM 174 CG GLN A 27 53.460 43.921-123.346 1.00 0.58 C ATOM 175 CD GLN A 27 52.190 43.330-123.961 1.00 1.39 C ATOM 176 OE1 GLN A 27 51.215 43.106-123.272 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.159 43.066-125.239 1.00 2.02 N ATOM 0 H GLN A 27 56.060 44.308-124.050 1.00 0.44 H new ATOM 0 HA GLN A 27 55.250 44.045-121.424 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.743 42.250-123.834 1.00 0.59 H new ATOM 0 HB3 GLN A 27 53.886 42.068-122.316 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.208 44.523-122.473 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.948 44.584-124.060 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.977 43.254-125.819 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.317 42.672-125.658 1.00 2.02 H new ATOM 186 N LEU A 28 57.105 41.443-122.340 1.00 0.47 N ATOM 187 CA LEU A 28 57.899 40.335-121.731 1.00 0.47 C ATOM 188 C LEU A 28 59.101 40.924-120.992 1.00 0.39 C ATOM 189 O LEU A 28 59.568 40.387-120.007 1.00 0.50 O ATOM 190 CB LEU A 28 58.393 39.398-122.835 1.00 0.50 C ATOM 191 CG LEU A 28 57.321 38.349-123.137 1.00 0.62 C ATOM 192 CD1 LEU A 28 55.958 39.031-123.260 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.656 37.644-124.452 1.00 1.21 C ATOM 0 H LEU A 28 57.152 41.511-123.357 1.00 0.47 H new ATOM 0 HA LEU A 28 57.275 39.778-121.032 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.621 39.969-123.735 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.317 38.910-122.525 1.00 0.50 H new ATOM 0 HG LEU A 28 57.290 37.619-122.328 1.00 0.62 H new ATOM 0 HD11 LEU A 28 55.195 38.283-123.475 1.00 1.41 H new ATOM 0 HD12 LEU A 28 55.718 39.536-122.324 1.00 1.41 H new ATOM 0 HD13 LEU A 28 55.988 39.761-124.069 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.893 36.896-124.669 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.687 38.376-125.259 1.00 1.21 H new ATOM 0 HD23 LEU A 28 58.627 37.157-124.367 1.00 1.21 H new ATOM 205 N TRP A 29 59.593 42.034-121.461 1.00 0.37 N ATOM 206 CA TRP A 29 60.754 42.669-120.781 1.00 0.30 C ATOM 207 C TRP A 29 60.327 43.052-119.370 1.00 0.36 C ATOM 208 O TRP A 29 60.861 42.567-118.376 1.00 0.39 O ATOM 209 CB TRP A 29 61.189 43.919-121.545 1.00 0.32 C ATOM 210 CG TRP A 29 62.337 44.568-120.844 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.459 45.897-120.656 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.521 43.958-120.242 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.635 46.149-119.976 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.324 44.987-119.696 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.974 42.628-120.113 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.529 44.711-119.048 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.186 42.349-119.462 1.00 0.37 C ATOM 218 CH2 TRP A 29 65.962 43.387-118.929 1.00 0.41 C ATOM 0 H TRP A 29 59.244 42.528-122.282 1.00 0.37 H new ATOM 0 HA TRP A 29 61.593 41.974-120.748 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.476 43.653-122.562 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.356 44.618-121.621 1.00 0.32 H new ATOM 0 HD1 TRP A 29 61.752 46.644-120.984 1.00 0.32 H new ATOM 0 HE1 TRP A 29 63.955 47.081-119.713 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.384 41.819-120.518 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.123 45.516-118.641 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.523 41.327-119.371 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.892 43.165-118.427 1.00 0.41 H new ATOM 229 N GLU A 30 59.348 43.903-119.271 1.00 0.45 N ATOM 230 CA GLU A 30 58.842 44.318-117.939 1.00 0.56 C ATOM 231 C GLU A 30 58.419 43.077-117.159 1.00 0.50 C ATOM 232 O GLU A 30 58.642 42.972-115.970 1.00 0.52 O ATOM 233 CB GLU A 30 57.628 45.229-118.142 1.00 0.68 C ATOM 234 CG GLU A 30 58.096 46.676-118.303 1.00 0.86 C ATOM 235 CD GLU A 30 56.909 47.557-118.697 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.814 47.030-118.800 1.00 2.06 O ATOM 237 OE2 GLU A 30 57.116 48.744-118.891 1.00 2.33 O ATOM 0 H GLU A 30 58.873 44.332-120.065 1.00 0.45 H new ATOM 0 HA GLU A 30 59.618 44.848-117.387 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.069 44.916-119.024 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.952 45.147-117.291 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.534 47.033-117.371 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.874 46.735-119.064 1.00 0.86 H new ATOM 244 N LYS A 31 57.816 42.131-117.823 1.00 0.46 N ATOM 245 CA LYS A 31 57.387 40.893-117.120 1.00 0.45 C ATOM 246 C LYS A 31 58.604 40.280-116.429 1.00 0.43 C ATOM 247 O LYS A 31 58.575 39.980-115.248 1.00 0.46 O ATOM 248 CB LYS A 31 56.810 39.900-118.134 1.00 0.44 C ATOM 249 CG LYS A 31 55.321 39.667-117.854 1.00 0.91 C ATOM 250 CD LYS A 31 54.536 39.729-119.168 1.00 0.99 C ATOM 251 CE LYS A 31 54.767 38.443-119.965 1.00 1.36 C ATOM 252 NZ LYS A 31 54.428 37.266-119.116 1.00 2.08 N ATOM 0 H LYS A 31 57.603 42.162-118.820 1.00 0.46 H new ATOM 0 HA LYS A 31 56.620 41.128-116.382 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.942 40.283-119.146 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.351 38.955-118.078 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.177 38.697-117.378 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.949 40.421-117.160 1.00 0.91 H new ATOM 0 HD2 LYS A 31 53.473 39.856-118.963 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.853 40.593-119.752 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.152 38.445-120.865 1.00 1.36 H new ATOM 0 HE3 LYS A 31 55.806 38.384-120.289 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 54.139 36.472-119.723 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 55.261 36.990-118.557 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.648 37.514-118.475 1.00 2.08 H new ATOM 266 N ALA A 32 59.687 40.105-117.140 1.00 0.41 N ATOM 267 CA ALA A 32 60.883 39.526-116.480 1.00 0.41 C ATOM 268 C ALA A 32 61.229 40.405-115.287 1.00 0.41 C ATOM 269 O ALA A 32 61.187 39.964-114.152 1.00 0.42 O ATOM 270 CB ALA A 32 62.067 39.489-117.448 1.00 0.42 C ATOM 0 H ALA A 32 59.791 40.334-118.129 1.00 0.41 H new ATOM 0 HA ALA A 32 60.672 38.505-116.162 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.935 39.061-116.946 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.811 38.878-118.313 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.301 40.502-117.776 1.00 0.42 H new ATOM 276 N GLN A 33 61.572 41.652-115.502 1.00 0.43 N ATOM 277 CA GLN A 33 61.905 42.505-114.331 1.00 0.47 C ATOM 278 C GLN A 33 60.865 42.267-113.243 1.00 0.49 C ATOM 279 O GLN A 33 61.175 42.215-112.069 1.00 0.53 O ATOM 280 CB GLN A 33 61.889 43.978-114.746 1.00 0.51 C ATOM 281 CG GLN A 33 62.983 44.230-115.786 1.00 0.53 C ATOM 282 CD GLN A 33 62.747 45.584-116.457 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.684 46.256-116.841 1.00 1.17 O ATOM 284 NE2 GLN A 33 61.527 46.015-116.619 1.00 1.23 N ATOM 0 H GLN A 33 61.634 42.103-116.415 1.00 0.43 H new ATOM 0 HA GLN A 33 62.898 42.253-113.958 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.914 44.240-115.158 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.048 44.614-113.875 1.00 0.51 H new ATOM 0 HG2 GLN A 33 63.963 44.214-115.309 1.00 0.53 H new ATOM 0 HG3 GLN A 33 62.979 43.436-116.533 1.00 0.53 H new ATOM 0 HE21 GLN A 33 60.740 45.452-116.297 1.00 1.23 H new ATOM 0 HE22 GLN A 33 61.360 46.916-117.068 1.00 1.23 H new ATOM 293 N ARG A 34 59.630 42.110-113.627 1.00 0.49 N ATOM 294 CA ARG A 34 58.566 41.863-112.620 1.00 0.52 C ATOM 295 C ARG A 34 58.904 40.598-111.850 1.00 0.52 C ATOM 296 O ARG A 34 58.712 40.516-110.653 1.00 0.55 O ATOM 297 CB ARG A 34 57.224 41.691-113.323 1.00 0.56 C ATOM 298 CG ARG A 34 56.331 42.898-113.029 1.00 0.67 C ATOM 299 CD ARG A 34 54.954 42.682-113.657 1.00 1.59 C ATOM 300 NE ARG A 34 54.181 43.955-113.608 1.00 1.96 N ATOM 301 CZ ARG A 34 53.111 44.097-114.340 1.00 2.81 C ATOM 302 NH1 ARG A 34 52.717 43.125-115.117 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.433 45.211-114.296 1.00 3.58 N ATOM 0 H ARG A 34 59.313 42.142-114.596 1.00 0.49 H new ATOM 0 HA ARG A 34 58.503 42.708-111.935 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.375 41.591-114.398 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.739 40.776-112.983 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.233 43.037-111.952 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.785 43.805-113.428 1.00 0.67 H new ATOM 0 HD2 ARG A 34 55.061 42.349-114.689 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.418 41.898-113.123 1.00 1.59 H new ATOM 0 HE ARG A 34 54.489 44.715-113.002 1.00 1.96 H new ATOM 0 HH11 ARG A 34 53.246 42.254-115.152 1.00 3.42 H new ATOM 0 HH12 ARG A 34 51.880 43.237-115.689 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.740 45.971-113.689 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.596 45.322-114.869 1.00 3.58 H new ATOM 317 N LEU A 35 59.449 39.621-112.515 1.00 0.50 N ATOM 318 CA LEU A 35 59.842 38.388-111.792 1.00 0.54 C ATOM 319 C LEU A 35 61.114 38.720-111.030 1.00 0.55 C ATOM 320 O LEU A 35 61.547 38.003-110.149 1.00 0.61 O ATOM 321 CB LEU A 35 60.104 37.257-112.787 1.00 0.57 C ATOM 322 CG LEU A 35 58.782 36.568-113.127 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.084 37.335-114.250 1.00 1.20 C ATOM 324 CD2 LEU A 35 59.058 35.134-113.579 1.00 0.84 C ATOM 0 H LEU A 35 59.637 39.624-113.518 1.00 0.50 H new ATOM 0 HA LEU A 35 59.053 38.058-111.116 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.565 37.653-113.692 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.804 36.538-112.362 1.00 0.57 H new ATOM 0 HG LEU A 35 58.140 36.552-112.246 1.00 0.68 H new ATOM 0 HD11 LEU A 35 57.141 36.845-114.494 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.889 38.357-113.926 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.724 37.350-115.132 1.00 1.20 H new ATOM 0 HD21 LEU A 35 58.116 34.641-113.822 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.698 35.147-114.461 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.556 34.589-112.777 1.00 0.84 H new ATOM 336 N HIS A 36 61.703 39.831-111.375 1.00 0.53 N ATOM 337 CA HIS A 36 62.953 40.278-110.692 1.00 0.58 C ATOM 338 C HIS A 36 64.081 39.264-110.906 1.00 0.49 C ATOM 339 O HIS A 36 64.565 38.646-109.978 1.00 1.37 O ATOM 340 CB HIS A 36 62.689 40.440-109.193 1.00 0.98 C ATOM 341 CG HIS A 36 62.156 41.819-108.924 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.807 42.713-108.089 1.00 1.89 N ATOM 343 CD2 HIS A 36 61.034 42.473-109.371 1.00 1.60 C ATOM 344 CE1 HIS A 36 62.079 43.845-108.060 1.00 2.32 C ATOM 345 NE2 HIS A 36 60.987 43.751-108.824 1.00 2.17 N ATOM 0 H HIS A 36 61.369 40.456-112.109 1.00 0.53 H new ATOM 0 HA HIS A 36 63.258 41.233-111.119 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.974 39.690-108.856 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.609 40.278-108.631 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.299 42.058-110.045 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.345 44.722-107.489 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.272 44.463-108.974 1.00 2.17 H new ATOM 353 N LEU A 37 64.494 39.091-112.127 1.00 0.59 N ATOM 354 CA LEU A 37 65.586 38.113-112.397 1.00 0.43 C ATOM 355 C LEU A 37 66.922 38.836-112.214 1.00 0.44 C ATOM 356 O LEU A 37 67.128 39.903-112.759 1.00 0.42 O ATOM 357 CB LEU A 37 65.509 37.591-113.834 1.00 0.53 C ATOM 358 CG LEU A 37 64.073 37.207-114.185 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.220 38.471-114.281 1.00 0.66 C ATOM 360 CD2 LEU A 37 64.064 36.489-115.538 1.00 0.82 C ATOM 0 H LEU A 37 64.128 39.578-112.945 1.00 0.59 H new ATOM 0 HA LEU A 37 65.489 37.269-111.714 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.867 38.354-114.525 1.00 0.53 H new ATOM 0 HB3 LEU A 37 66.162 36.726-113.949 1.00 0.53 H new ATOM 0 HG LEU A 37 63.668 36.551-113.414 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.194 38.200-114.531 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.234 38.993-113.324 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.622 39.123-115.056 1.00 0.66 H new ATOM 0 HD21 LEU A 37 63.042 36.211-115.796 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.464 37.152-116.305 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.679 35.591-115.478 1.00 0.82 H new ATOM 372 N PRO A 38 67.823 38.275-111.445 1.00 0.57 N ATOM 373 CA PRO A 38 69.138 38.922-111.208 1.00 0.66 C ATOM 374 C PRO A 38 69.737 39.442-112.504 1.00 0.58 C ATOM 375 O PRO A 38 69.409 38.969-113.565 1.00 0.52 O ATOM 376 CB PRO A 38 69.969 37.771-110.643 1.00 0.81 C ATOM 377 CG PRO A 38 69.009 36.646-110.226 1.00 0.82 C ATOM 378 CD PRO A 38 67.611 36.965-110.776 1.00 0.69 C ATOM 0 HA PRO A 38 69.084 39.789-110.550 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.676 37.410-111.390 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.554 38.108-109.787 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.358 35.688-110.612 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.977 36.559-109.140 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.266 36.203-111.475 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.867 37.030-109.982 1.00 0.69 H new ATOM 386 N PRO A 39 70.606 40.403-112.428 1.00 0.62 N ATOM 387 CA PRO A 39 71.231 40.954-113.650 1.00 0.60 C ATOM 388 C PRO A 39 71.765 39.839-114.548 1.00 0.53 C ATOM 389 O PRO A 39 71.505 39.797-115.722 1.00 0.51 O ATOM 390 CB PRO A 39 72.368 41.807-113.082 1.00 0.74 C ATOM 391 CG PRO A 39 72.200 41.893-111.555 1.00 0.81 C ATOM 392 CD PRO A 39 71.031 40.996-111.136 1.00 0.74 C ATOM 0 HA PRO A 39 70.540 41.516-114.279 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.333 41.367-113.332 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.349 42.804-113.522 1.00 0.74 H new ATOM 0 HG2 PRO A 39 73.116 41.577-111.056 1.00 0.81 H new ATOM 0 HG3 PRO A 39 72.012 42.923-111.253 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.340 40.233-110.421 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.229 41.566-110.667 1.00 0.74 H new ATOM 400 N VAL A 40 72.540 38.962-113.991 1.00 0.52 N ATOM 401 CA VAL A 40 73.141 37.854-114.782 1.00 0.47 C ATOM 402 C VAL A 40 72.058 37.110-115.562 1.00 0.41 C ATOM 403 O VAL A 40 72.117 36.977-116.776 1.00 0.37 O ATOM 404 CB VAL A 40 73.840 36.884-113.823 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.830 35.879-113.264 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.949 36.137-114.567 1.00 0.50 C ATOM 0 H VAL A 40 72.790 38.963-113.002 1.00 0.52 H new ATOM 0 HA VAL A 40 73.860 38.265-115.490 1.00 0.47 H new ATOM 0 HB VAL A 40 74.272 37.450-112.998 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.336 35.194-112.584 1.00 0.50 H new ATOM 0 HG12 VAL A 40 72.046 36.412-112.726 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.387 35.314-114.084 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.445 35.448-113.884 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.517 35.578-115.397 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.676 36.853-114.951 1.00 0.50 H new ATOM 416 N ARG A 41 71.059 36.640-114.883 1.00 0.42 N ATOM 417 CA ARG A 41 69.969 35.916-115.584 1.00 0.40 C ATOM 418 C ARG A 41 69.152 36.924-116.371 1.00 0.34 C ATOM 419 O ARG A 41 68.479 36.589-117.329 1.00 0.30 O ATOM 420 CB ARG A 41 69.075 35.215-114.557 1.00 0.46 C ATOM 421 CG ARG A 41 69.092 33.706-114.808 1.00 0.87 C ATOM 422 CD ARG A 41 68.254 33.383-116.046 1.00 1.00 C ATOM 423 NE ARG A 41 67.334 32.245-115.749 1.00 1.53 N ATOM 424 CZ ARG A 41 67.750 31.218-115.055 1.00 2.18 C ATOM 425 NH1 ARG A 41 68.994 31.145-114.667 1.00 2.54 N ATOM 426 NH2 ARG A 41 66.922 30.251-114.766 1.00 3.12 N ATOM 0 H ARG A 41 70.948 36.725-113.873 1.00 0.42 H new ATOM 0 HA ARG A 41 70.387 35.168-116.257 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.426 35.430-113.548 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.056 35.594-114.628 1.00 0.46 H new ATOM 0 HG2 ARG A 41 70.117 33.362-114.950 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.696 33.178-113.940 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.679 34.259-116.346 1.00 1.00 H new ATOM 0 HD3 ARG A 41 68.906 33.128-116.882 1.00 1.00 H new ATOM 0 HE ARG A 41 66.373 32.269-116.090 1.00 1.53 H new ATOM 0 HH11 ARG A 41 69.647 31.891-114.905 1.00 2.54 H new ATOM 0 HH12 ARG A 41 69.313 30.341-114.126 1.00 2.54 H new ATOM 0 HH21 ARG A 41 65.953 30.298-115.081 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.244 29.449-114.225 1.00 3.12 H new ATOM 440 N LEU A 42 69.218 38.168-115.987 1.00 0.35 N ATOM 441 CA LEU A 42 68.451 39.190-116.733 1.00 0.30 C ATOM 442 C LEU A 42 69.247 39.572-117.968 1.00 0.31 C ATOM 443 O LEU A 42 68.703 40.029-118.942 1.00 0.49 O ATOM 444 CB LEU A 42 68.176 40.420-115.870 1.00 0.32 C ATOM 445 CG LEU A 42 66.902 41.100-116.383 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.672 40.374-115.843 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.866 42.552-115.904 1.00 0.60 C ATOM 0 H LEU A 42 69.764 38.514-115.198 1.00 0.35 H new ATOM 0 HA LEU A 42 67.483 38.779-117.020 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.057 40.131-114.826 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.018 41.110-115.915 1.00 0.32 H new ATOM 0 HG LEU A 42 66.900 41.067-117.473 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.770 40.863-116.212 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.685 39.337-116.178 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.681 40.404-114.753 1.00 0.43 H new ATOM 0 HD21 LEU A 42 65.959 43.034-116.270 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.875 42.576-114.814 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.738 43.083-116.286 1.00 0.60 H new ATOM 459 N ALA A 43 70.530 39.339-117.959 1.00 0.30 N ATOM 460 CA ALA A 43 71.336 39.631-119.164 1.00 0.30 C ATOM 461 C ALA A 43 71.065 38.467-120.095 1.00 0.29 C ATOM 462 O ALA A 43 71.049 38.587-121.296 1.00 0.28 O ATOM 463 CB ALA A 43 72.822 39.685-118.801 1.00 0.36 C ATOM 0 H ALA A 43 71.050 38.959-117.168 1.00 0.30 H new ATOM 0 HA ALA A 43 71.081 40.590-119.615 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.407 39.901-119.695 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.988 40.468-118.061 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.131 38.725-118.388 1.00 0.36 H new ATOM 469 N GLU A 44 70.828 37.329-119.514 1.00 0.30 N ATOM 470 CA GLU A 44 70.514 36.151-120.355 1.00 0.32 C ATOM 471 C GLU A 44 69.190 36.452-121.067 1.00 0.30 C ATOM 472 O GLU A 44 69.135 36.549-122.277 1.00 0.34 O ATOM 473 CB GLU A 44 70.370 34.903-119.481 1.00 0.37 C ATOM 474 CG GLU A 44 70.973 33.699-120.206 1.00 1.15 C ATOM 475 CD GLU A 44 70.990 32.492-119.267 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.715 32.676-118.092 1.00 2.80 O ATOM 477 OE2 GLU A 44 71.277 31.404-119.737 1.00 2.92 O ATOM 0 H GLU A 44 70.838 37.166-118.507 1.00 0.30 H new ATOM 0 HA GLU A 44 71.310 35.963-121.075 1.00 0.32 H new ATOM 0 HB2 GLU A 44 70.873 35.055-118.526 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.318 34.719-119.262 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.391 33.470-121.099 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.986 33.930-120.536 1.00 1.15 H new ATOM 484 N LEU A 45 68.121 36.589-120.328 1.00 0.28 N ATOM 485 CA LEU A 45 66.791 36.871-120.959 1.00 0.29 C ATOM 486 C LEU A 45 66.773 38.266-121.607 1.00 0.24 C ATOM 487 O LEU A 45 66.131 38.480-122.614 1.00 0.25 O ATOM 488 CB LEU A 45 65.698 36.801-119.889 1.00 0.34 C ATOM 489 CG LEU A 45 64.328 36.980-120.544 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.781 35.615-120.966 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.367 37.628-119.546 1.00 0.77 C ATOM 0 H LEU A 45 68.108 36.518-119.311 1.00 0.28 H new ATOM 0 HA LEU A 45 66.612 36.125-121.733 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.743 35.843-119.371 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.858 37.576-119.140 1.00 0.34 H new ATOM 0 HG LEU A 45 64.426 37.619-121.422 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.804 35.743-121.433 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.466 35.153-121.677 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.683 34.975-120.089 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.390 37.756-120.012 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.269 36.990-118.668 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.756 38.601-119.246 1.00 0.77 H new ATOM 503 N HIS A 46 67.493 39.205-121.058 1.00 0.21 N ATOM 504 CA HIS A 46 67.525 40.564-121.681 1.00 0.20 C ATOM 505 C HIS A 46 68.353 40.481-122.963 1.00 0.19 C ATOM 506 O HIS A 46 67.940 40.916-124.019 1.00 0.21 O ATOM 507 CB HIS A 46 68.163 41.579-120.728 1.00 0.23 C ATOM 508 CG HIS A 46 68.116 42.946-121.352 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.254 43.586-121.817 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.076 43.808-121.596 1.00 0.27 C ATOM 511 CE1 HIS A 46 68.876 44.779-122.313 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.558 44.964-122.204 1.00 0.31 N ATOM 0 H HIS A 46 68.056 39.095-120.214 1.00 0.21 H new ATOM 0 HA HIS A 46 66.508 40.890-121.898 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.633 41.583-119.775 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.195 41.298-120.517 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.041 43.618-121.353 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.555 45.498-122.746 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.020 45.778-122.502 1.00 0.31 H new ATOM 520 N ALA A 47 69.519 39.909-122.866 1.00 0.19 N ATOM 521 CA ALA A 47 70.401 39.764-124.057 1.00 0.22 C ATOM 522 C ALA A 47 69.662 38.979-125.136 1.00 0.21 C ATOM 523 O ALA A 47 69.453 39.455-126.232 1.00 0.22 O ATOM 524 CB ALA A 47 71.667 38.997-123.658 1.00 0.27 C ATOM 0 H ALA A 47 69.904 39.531-122.001 1.00 0.19 H new ATOM 0 HA ALA A 47 70.671 40.750-124.436 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.316 38.888-124.527 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.194 39.546-122.878 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.392 38.010-123.285 1.00 0.27 H new ATOM 530 N ASP A 48 69.252 37.784-124.825 1.00 0.22 N ATOM 531 CA ASP A 48 68.511 36.974-125.830 1.00 0.25 C ATOM 532 C ASP A 48 67.336 37.805-126.334 1.00 0.22 C ATOM 533 O ASP A 48 67.162 38.003-127.520 1.00 0.25 O ATOM 534 CB ASP A 48 67.994 35.690-125.177 1.00 0.28 C ATOM 535 CG ASP A 48 69.122 35.032-124.381 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.207 35.591-124.355 1.00 0.94 O ATOM 537 OD2 ASP A 48 68.883 33.980-123.810 1.00 0.84 O ATOM 0 H ASP A 48 69.397 37.333-123.922 1.00 0.22 H new ATOM 0 HA ASP A 48 69.167 36.705-126.658 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.155 35.916-124.519 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.625 35.004-125.940 1.00 0.28 H new ATOM 542 N LEU A 49 66.539 38.307-125.434 1.00 0.19 N ATOM 543 CA LEU A 49 65.387 39.143-125.862 1.00 0.19 C ATOM 544 C LEU A 49 65.904 40.194-126.845 1.00 0.18 C ATOM 545 O LEU A 49 65.272 40.488-127.839 1.00 0.19 O ATOM 546 CB LEU A 49 64.747 39.820-124.649 1.00 0.18 C ATOM 547 CG LEU A 49 63.761 38.851-123.992 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.081 39.535-122.806 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.698 38.431-125.012 1.00 0.89 C ATOM 0 H LEU A 49 66.635 38.175-124.427 1.00 0.19 H new ATOM 0 HA LEU A 49 64.629 38.523-126.340 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.516 40.115-123.935 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.231 40.730-124.956 1.00 0.18 H new ATOM 0 HG LEU A 49 64.301 37.971-123.643 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.380 38.843-122.340 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.835 39.833-122.077 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.543 40.417-123.154 1.00 1.06 H new ATOM 0 HD21 LEU A 49 61.996 37.741-124.543 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.161 39.313-125.362 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.179 37.940-125.858 1.00 0.89 H new ATOM 561 N LYS A 50 67.068 40.738-126.595 1.00 0.20 N ATOM 562 CA LYS A 50 67.630 41.737-127.546 1.00 0.21 C ATOM 563 C LYS A 50 67.898 41.013-128.859 1.00 0.23 C ATOM 564 O LYS A 50 67.398 41.377-129.900 1.00 0.24 O ATOM 565 CB LYS A 50 68.938 42.311-126.997 1.00 0.24 C ATOM 566 CG LYS A 50 68.698 42.905-125.607 1.00 0.36 C ATOM 567 CD LYS A 50 69.033 44.398-125.622 1.00 0.84 C ATOM 568 CE LYS A 50 70.550 44.581-125.567 1.00 1.09 C ATOM 569 NZ LYS A 50 70.890 46.005-125.850 1.00 1.84 N ATOM 0 H LYS A 50 67.647 40.534-125.780 1.00 0.20 H new ATOM 0 HA LYS A 50 66.932 42.561-127.691 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.695 41.529-126.943 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.320 43.079-127.670 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.659 42.758-125.312 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.314 42.391-124.869 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.632 44.862-126.523 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.565 44.895-124.772 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.926 44.295-124.585 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.032 43.929-126.296 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.922 46.130-125.813 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.544 46.263-126.796 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.441 46.617-125.139 1.00 1.84 H new ATOM 583 N ILE A 51 68.683 39.976-128.811 1.00 0.25 N ATOM 584 CA ILE A 51 68.963 39.232-130.063 1.00 0.27 C ATOM 585 C ILE A 51 67.627 39.099-130.790 1.00 0.26 C ATOM 586 O ILE A 51 67.454 39.581-131.901 1.00 0.25 O ATOM 587 CB ILE A 51 69.520 37.845-129.734 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.039 37.931-129.572 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.184 36.877-130.871 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.382 38.939-128.474 1.00 0.30 C ATOM 0 H ILE A 51 69.136 39.616-127.971 1.00 0.25 H new ATOM 0 HA ILE A 51 69.700 39.750-130.677 1.00 0.27 H new ATOM 0 HB ILE A 51 69.074 37.486-128.806 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.444 36.951-129.319 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.499 38.233-130.513 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.581 35.889-130.637 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.102 36.815-130.988 1.00 0.42 H new ATOM 0 HG23 ILE A 51 69.630 37.236-131.799 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.464 38.999-128.360 1.00 0.30 H new ATOM 0 HD12 ILE A 51 70.991 39.920-128.745 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.935 38.618-127.533 1.00 0.30 H new ATOM 602 N GLN A 52 66.658 38.486-130.164 1.00 0.26 N ATOM 603 CA GLN A 52 65.330 38.371-130.807 1.00 0.27 C ATOM 604 C GLN A 52 64.857 39.774-131.181 1.00 0.24 C ATOM 605 O GLN A 52 64.072 39.946-132.080 1.00 0.26 O ATOM 606 CB GLN A 52 64.344 37.740-129.823 1.00 0.32 C ATOM 607 CG GLN A 52 63.206 37.074-130.594 1.00 0.45 C ATOM 608 CD GLN A 52 63.728 35.810-131.282 1.00 0.62 C ATOM 609 OE1 GLN A 52 63.811 34.763-130.672 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.088 35.866-132.535 1.00 0.48 N ATOM 0 H GLN A 52 66.734 38.063-129.239 1.00 0.26 H new ATOM 0 HA GLN A 52 65.391 37.746-131.698 1.00 0.27 H new ATOM 0 HB2 GLN A 52 64.855 37.005-129.202 1.00 0.32 H new ATOM 0 HB3 GLN A 52 63.946 38.502-129.153 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.391 36.822-129.915 1.00 0.45 H new ATOM 0 HG3 GLN A 52 62.802 37.764-131.335 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.018 36.745-133.047 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.439 35.030-133.003 1.00 0.48 H new ATOM 619 N GLU A 53 65.327 40.781-130.486 1.00 0.23 N ATOM 620 CA GLU A 53 64.897 42.170-130.823 1.00 0.23 C ATOM 621 C GLU A 53 65.578 42.601-132.120 1.00 0.20 C ATOM 622 O GLU A 53 65.033 43.352-132.896 1.00 0.21 O ATOM 623 CB GLU A 53 65.284 43.149-129.718 1.00 0.25 C ATOM 624 CG GLU A 53 64.830 44.552-130.129 1.00 0.28 C ATOM 625 CD GLU A 53 66.006 45.525-130.009 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.123 45.107-130.265 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.770 46.671-129.663 1.00 1.09 O ATOM 0 H GLU A 53 65.983 40.701-129.709 1.00 0.23 H new ATOM 0 HA GLU A 53 63.813 42.178-130.933 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.817 42.861-128.776 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.362 43.132-129.558 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.457 44.540-131.153 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.007 44.880-129.494 1.00 0.28 H new ATOM 634 N ARG A 54 66.766 42.127-132.363 1.00 0.22 N ATOM 635 CA ARG A 54 67.470 42.503-133.617 1.00 0.22 C ATOM 636 C ARG A 54 66.783 41.797-134.776 1.00 0.20 C ATOM 637 O ARG A 54 66.676 42.313-135.874 1.00 0.21 O ATOM 638 CB ARG A 54 68.920 42.035-133.539 1.00 0.24 C ATOM 639 CG ARG A 54 69.711 42.980-132.639 1.00 0.27 C ATOM 640 CD ARG A 54 70.549 43.927-133.498 1.00 0.85 C ATOM 641 NE ARG A 54 70.735 45.218-132.778 1.00 1.55 N ATOM 642 CZ ARG A 54 71.650 46.060-133.174 1.00 2.09 C ATOM 643 NH1 ARG A 54 72.405 45.770-134.198 1.00 2.40 N ATOM 644 NH2 ARG A 54 71.810 47.192-132.545 1.00 3.03 N ATOM 0 H ARG A 54 67.279 41.496-131.748 1.00 0.22 H new ATOM 0 HA ARG A 54 67.443 43.584-133.757 1.00 0.22 H new ATOM 0 HB2 ARG A 54 68.965 41.019-133.147 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.360 42.011-134.536 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.030 43.552-132.008 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.358 42.408-131.974 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.518 43.477-133.715 1.00 0.85 H new ATOM 0 HD3 ARG A 54 70.056 44.100-134.455 1.00 0.85 H new ATOM 0 HE ARG A 54 70.147 45.444-131.976 1.00 1.55 H new ATOM 0 HH11 ARG A 54 72.280 44.885-134.689 1.00 2.40 H new ATOM 0 HH12 ARG A 54 73.120 46.428-134.507 1.00 2.40 H new ATOM 0 HH21 ARG A 54 71.220 47.418-131.744 1.00 3.03 H new ATOM 0 HH22 ARG A 54 72.525 47.851-132.854 1.00 3.03 H new ATOM 658 N ASP A 55 66.284 40.628-134.513 1.00 0.20 N ATOM 659 CA ASP A 55 65.564 39.866-135.572 1.00 0.21 C ATOM 660 C ASP A 55 64.108 40.339-135.622 1.00 0.21 C ATOM 661 O ASP A 55 63.506 40.448-136.677 1.00 0.20 O ATOM 662 CB ASP A 55 65.608 38.371-135.247 1.00 0.25 C ATOM 663 CG ASP A 55 67.054 37.878-135.307 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.877 38.583-135.865 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.315 36.802-134.793 1.00 0.94 O ATOM 0 H ASP A 55 66.342 40.162-133.608 1.00 0.20 H new ATOM 0 HA ASP A 55 66.040 40.036-136.538 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.192 38.191-134.256 1.00 0.25 H new ATOM 0 HB3 ASP A 55 64.994 37.816-135.956 1.00 0.25 H new ATOM 670 N GLU A 56 63.547 40.655-134.488 1.00 0.27 N ATOM 671 CA GLU A 56 62.145 41.145-134.455 1.00 0.32 C ATOM 672 C GLU A 56 62.122 42.541-135.046 1.00 0.30 C ATOM 673 O GLU A 56 61.345 42.843-135.925 1.00 0.31 O ATOM 674 CB GLU A 56 61.640 41.186-133.011 1.00 0.39 C ATOM 675 CG GLU A 56 61.062 39.822-132.632 1.00 0.44 C ATOM 676 CD GLU A 56 60.644 39.838-131.160 1.00 0.89 C ATOM 677 OE1 GLU A 56 61.472 39.511-130.327 1.00 1.72 O ATOM 678 OE2 GLU A 56 59.503 40.176-130.892 1.00 1.39 O ATOM 0 H GLU A 56 64.004 40.594-133.578 1.00 0.27 H new ATOM 0 HA GLU A 56 61.500 40.479-135.028 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.456 41.447-132.337 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.878 41.958-132.903 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.204 39.591-133.263 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.803 39.041-132.803 1.00 0.44 H new ATOM 685 N LEU A 57 62.996 43.394-134.600 1.00 0.30 N ATOM 686 CA LEU A 57 63.034 44.751-135.185 1.00 0.32 C ATOM 687 C LEU A 57 63.378 44.580-136.661 1.00 0.28 C ATOM 688 O LEU A 57 62.710 45.095-137.533 1.00 0.29 O ATOM 689 CB LEU A 57 64.106 45.598-134.495 1.00 0.36 C ATOM 690 CG LEU A 57 63.550 46.162-133.187 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.701 46.705-132.338 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.569 47.294-133.498 1.00 1.22 C ATOM 0 H LEU A 57 63.677 43.210-133.864 1.00 0.30 H new ATOM 0 HA LEU A 57 62.077 45.258-135.056 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.990 44.992-134.295 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.419 46.411-135.150 1.00 0.36 H new ATOM 0 HG LEU A 57 63.034 45.373-132.640 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.307 47.108-131.405 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.402 45.900-132.118 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.216 47.495-132.885 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.172 47.697-132.567 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.086 48.083-134.044 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.750 46.909-134.105 1.00 1.22 H new ATOM 704 N ALA A 58 64.397 43.811-136.953 1.00 0.25 N ATOM 705 CA ALA A 58 64.734 43.570-138.376 1.00 0.24 C ATOM 706 C ALA A 58 63.458 43.064-139.044 1.00 0.21 C ATOM 707 O ALA A 58 63.223 43.256-140.224 1.00 0.21 O ATOM 708 CB ALA A 58 65.834 42.513-138.482 1.00 0.24 C ATOM 0 H ALA A 58 64.999 43.348-136.272 1.00 0.25 H new ATOM 0 HA ALA A 58 65.098 44.479-138.855 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.075 42.343-139.531 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.724 42.860-137.957 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.488 41.582-138.033 1.00 0.24 H new ATOM 714 N TRP A 59 62.602 42.457-138.265 1.00 0.19 N ATOM 715 CA TRP A 59 61.323 41.984-138.841 1.00 0.18 C ATOM 716 C TRP A 59 60.421 43.194-139.079 1.00 0.20 C ATOM 717 O TRP A 59 60.049 43.483-140.200 1.00 0.30 O ATOM 718 CB TRP A 59 60.606 40.992-137.928 1.00 0.19 C ATOM 719 CG TRP A 59 59.421 40.490-138.681 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.450 39.498-139.598 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.047 40.959-138.626 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.185 39.334-140.122 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.279 40.209-139.548 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.398 41.953-137.873 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.913 40.440-139.716 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.025 42.186-138.038 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.284 41.432-138.958 1.00 0.39 C ATOM 0 H TRP A 59 62.735 42.273-137.271 1.00 0.19 H new ATOM 0 HA TRP A 59 61.543 41.465-139.774 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.268 40.170-137.656 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.298 41.474-137.000 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.323 38.926-139.876 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.947 38.653-140.843 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.960 42.541-137.163 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.346 39.857-140.426 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.536 42.951-137.453 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.227 41.617-139.081 1.00 0.39 H new ATOM 738 N LYS A 60 60.048 43.907-138.044 1.00 0.27 N ATOM 739 CA LYS A 60 59.161 45.079-138.274 1.00 0.30 C ATOM 740 C LYS A 60 59.684 45.813-139.507 1.00 0.29 C ATOM 741 O LYS A 60 58.931 46.346-140.302 1.00 0.31 O ATOM 742 CB LYS A 60 59.171 46.013-137.057 1.00 0.38 C ATOM 743 CG LYS A 60 60.359 46.975-137.140 1.00 0.42 C ATOM 744 CD LYS A 60 60.359 47.890-135.913 1.00 1.08 C ATOM 745 CE LYS A 60 59.090 48.743-135.913 1.00 1.53 C ATOM 746 NZ LYS A 60 58.677 49.020-137.318 1.00 2.27 N ATOM 0 H LYS A 60 60.313 43.731-137.075 1.00 0.27 H new ATOM 0 HA LYS A 60 58.133 44.751-138.427 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.239 46.577-137.014 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.231 45.427-136.140 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.292 46.414-137.189 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.296 47.570-138.051 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.409 47.294-135.002 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.241 48.531-135.924 1.00 1.08 H new ATOM 0 HE2 LYS A 60 58.291 48.225-135.383 1.00 1.53 H new ATOM 0 HE3 LYS A 60 59.268 49.679-135.384 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 57.994 49.805-137.331 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 59.512 49.279-137.881 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.236 48.170-137.724 1.00 2.27 H new ATOM 760 N LYS A 61 60.979 45.809-139.695 1.00 0.28 N ATOM 761 CA LYS A 61 61.553 46.471-140.894 1.00 0.30 C ATOM 762 C LYS A 61 61.317 45.565-142.099 1.00 0.27 C ATOM 763 O LYS A 61 61.159 46.028-143.209 1.00 0.35 O ATOM 764 CB LYS A 61 63.053 46.695-140.702 1.00 0.35 C ATOM 765 CG LYS A 61 63.310 47.296-139.318 1.00 0.40 C ATOM 766 CD LYS A 61 64.078 48.610-139.465 1.00 0.77 C ATOM 767 CE LYS A 61 64.039 49.376-138.142 1.00 1.42 C ATOM 768 NZ LYS A 61 63.898 48.413-137.014 1.00 2.43 N ATOM 0 H LYS A 61 61.658 45.376-139.069 1.00 0.28 H new ATOM 0 HA LYS A 61 61.076 47.439-141.049 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.588 45.751-140.804 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.433 47.362-141.476 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.364 47.471-138.805 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.880 46.596-138.706 1.00 0.40 H new ATOM 0 HD2 LYS A 61 65.111 48.410-139.751 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.639 49.213-140.259 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.950 49.962-138.022 1.00 1.42 H new ATOM 0 HE3 LYS A 61 63.206 50.078-138.141 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 64.124 48.892-136.119 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 62.921 48.059-136.980 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 64.551 47.616-137.155 1.00 2.43 H new ATOM 782 N LEU A 62 61.247 44.273-141.887 1.00 0.24 N ATOM 783 CA LEU A 62 60.966 43.356-143.025 1.00 0.24 C ATOM 784 C LEU A 62 59.555 43.646-143.516 1.00 0.24 C ATOM 785 O LEU A 62 59.337 44.053-144.640 1.00 0.26 O ATOM 786 CB LEU A 62 61.006 41.902-142.551 1.00 0.24 C ATOM 787 CG LEU A 62 62.430 41.353-142.618 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.579 40.216-141.605 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.697 40.811-144.022 1.00 0.41 C ATOM 0 H LEU A 62 61.372 43.821-140.981 1.00 0.24 H new ATOM 0 HA LEU A 62 61.708 43.506-143.809 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.633 41.837-141.529 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.347 41.294-143.170 1.00 0.24 H new ATOM 0 HG LEU A 62 63.140 42.147-142.389 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.594 39.820-141.649 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.380 40.594-140.602 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.870 39.423-141.842 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.713 40.418-144.073 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.988 40.014-144.245 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.581 41.614-144.750 1.00 0.41 H new ATOM 801 N LYS A 63 58.592 43.432-142.661 1.00 0.24 N ATOM 802 CA LYS A 63 57.182 43.686-143.047 1.00 0.26 C ATOM 803 C LYS A 63 57.053 45.123-143.545 1.00 0.29 C ATOM 804 O LYS A 63 56.262 45.415-144.419 1.00 0.30 O ATOM 805 CB LYS A 63 56.269 43.482-141.835 1.00 0.34 C ATOM 806 CG LYS A 63 56.233 44.765-140.998 1.00 0.46 C ATOM 807 CD LYS A 63 55.382 44.536-139.749 1.00 0.41 C ATOM 808 CE LYS A 63 54.416 45.708-139.567 1.00 0.58 C ATOM 809 NZ LYS A 63 53.223 45.508-140.437 1.00 1.20 N ATOM 0 H LYS A 63 58.726 43.091-141.709 1.00 0.24 H new ATOM 0 HA LYS A 63 56.889 42.993-143.836 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.263 43.222-142.164 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.631 42.651-141.230 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.245 45.055-140.714 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.820 45.584-141.587 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.825 43.603-139.841 1.00 0.41 H new ATOM 0 HD3 LYS A 63 56.023 44.440-138.872 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.110 45.782-138.523 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.912 46.645-139.821 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.566 46.305-140.314 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 53.523 45.458-141.431 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 52.746 44.622-140.174 1.00 1.20 H new ATOM 823 N LEU A 64 57.824 46.032-143.001 1.00 0.33 N ATOM 824 CA LEU A 64 57.740 47.447-143.451 1.00 0.43 C ATOM 825 C LEU A 64 58.301 47.583-144.866 1.00 0.52 C ATOM 826 O LEU A 64 57.681 48.161-145.735 1.00 0.75 O ATOM 827 CB LEU A 64 58.560 48.309-142.488 1.00 0.38 C ATOM 828 CG LEU A 64 57.680 48.743-141.315 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.531 49.492-140.288 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.572 49.665-141.825 1.00 1.23 C ATOM 0 H LEU A 64 58.507 45.851-142.265 1.00 0.33 H new ATOM 0 HA LEU A 64 56.699 47.772-143.457 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.420 47.747-142.123 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.949 49.185-143.008 1.00 0.38 H new ATOM 0 HG LEU A 64 57.237 47.863-140.848 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.904 49.801-139.452 1.00 1.10 H new ATOM 0 HD12 LEU A 64 59.323 48.837-139.925 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.974 50.372-140.755 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.944 49.975-140.990 1.00 1.23 H new ATOM 0 HD22 LEU A 64 57.016 50.544-142.291 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.965 49.133-142.558 1.00 1.23 H new ATOM 842 N ASP A 65 59.469 47.060-145.104 1.00 0.45 N ATOM 843 CA ASP A 65 60.071 47.164-146.463 1.00 0.60 C ATOM 844 C ASP A 65 59.357 46.204-147.416 1.00 0.96 C ATOM 845 O ASP A 65 59.561 46.237-148.613 1.00 0.98 O ATOM 846 CB ASP A 65 61.556 46.800-146.392 1.00 0.53 C ATOM 847 CG ASP A 65 62.308 47.872-145.600 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.718 48.906-145.332 1.00 1.31 O ATOM 849 OD2 ASP A 65 63.460 47.640-145.275 1.00 1.14 O ATOM 0 H ASP A 65 60.035 46.564-144.416 1.00 0.45 H new ATOM 0 HA ASP A 65 59.963 48.185-146.829 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.680 45.827-145.916 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.970 46.718-147.397 1.00 0.53 H new ATOM 854 N GLY A 66 58.515 45.355-146.896 1.00 1.30 N ATOM 855 CA GLY A 66 57.784 44.400-147.775 1.00 1.72 C ATOM 856 C GLY A 66 58.700 43.237-148.165 1.00 0.91 C ATOM 857 O GLY A 66 58.927 42.981-149.331 1.00 1.14 O ATOM 0 H GLY A 66 58.302 45.281-145.901 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.902 44.021-147.259 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.434 44.913-148.671 1.00 1.72 H new ATOM 861 N LEU A 67 59.216 42.518-147.204 1.00 0.37 N ATOM 862 CA LEU A 67 60.097 41.366-147.537 1.00 1.03 C ATOM 863 C LEU A 67 59.361 40.068-147.207 1.00 0.91 C ATOM 864 O LEU A 67 59.388 39.119-147.966 1.00 1.09 O ATOM 865 CB LEU A 67 61.399 41.462-146.741 1.00 1.69 C ATOM 866 CG LEU A 67 62.403 42.314-147.527 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.225 43.181-146.571 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.341 41.396-148.310 1.00 2.68 C ATOM 0 H LEU A 67 59.065 42.679-146.208 1.00 0.37 H new ATOM 0 HA LEU A 67 60.343 41.380-148.599 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.211 41.907-145.764 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.807 40.467-146.565 1.00 1.69 H new ATOM 0 HG LEU A 67 61.858 42.962-148.214 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.934 43.781-147.142 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.559 43.839-146.013 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.769 42.541-145.876 1.00 2.52 H new ATOM 0 HD21 LEU A 67 64.056 41.999-148.870 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.877 40.747-147.617 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.760 40.787-149.002 1.00 2.68 H new ATOM 880 N ASP A 68 58.646 40.041-146.118 1.00 0.69 N ATOM 881 CA ASP A 68 57.835 38.842-145.767 1.00 0.59 C ATOM 882 C ASP A 68 56.373 39.249-145.936 1.00 0.59 C ATOM 883 O ASP A 68 55.892 40.085-145.197 1.00 0.59 O ATOM 884 CB ASP A 68 58.104 38.441-144.310 1.00 0.53 C ATOM 885 CG ASP A 68 57.607 37.015-144.078 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.748 36.203-144.977 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.092 36.761-143.003 1.00 0.97 O ATOM 0 H ASP A 68 58.588 40.808-145.448 1.00 0.69 H new ATOM 0 HA ASP A 68 58.085 37.991-146.400 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.170 38.506-144.094 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.599 39.129-143.632 1.00 0.53 H new ATOM 892 N GLU A 69 55.640 38.714-146.876 1.00 0.63 N ATOM 893 CA GLU A 69 54.226 39.150-147.015 1.00 0.69 C ATOM 894 C GLU A 69 53.309 38.283-146.153 1.00 0.71 C ATOM 895 O GLU A 69 52.117 38.510-146.094 1.00 0.77 O ATOM 896 CB GLU A 69 53.802 39.032-148.480 1.00 0.73 C ATOM 897 CG GLU A 69 54.219 37.664-149.025 1.00 0.75 C ATOM 898 CD GLU A 69 55.651 37.741-149.558 1.00 1.36 C ATOM 899 OE1 GLU A 69 56.063 38.824-149.939 1.00 2.06 O ATOM 900 OE2 GLU A 69 56.310 36.715-149.575 1.00 1.82 O ATOM 0 H GLU A 69 55.954 38.007-147.541 1.00 0.63 H new ATOM 0 HA GLU A 69 54.144 40.185-146.684 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.723 39.157-148.568 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.263 39.825-149.068 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.152 36.912-148.239 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.540 37.355-149.820 1.00 0.75 H new ATOM 907 N ASP A 70 53.832 37.291-145.482 1.00 0.72 N ATOM 908 CA ASP A 70 52.955 36.432-144.638 1.00 0.78 C ATOM 909 C ASP A 70 53.463 36.479-143.199 1.00 0.69 C ATOM 910 O ASP A 70 52.869 35.923-142.297 1.00 0.84 O ATOM 911 CB ASP A 70 52.999 34.992-145.153 1.00 0.83 C ATOM 912 CG ASP A 70 52.668 34.974-146.646 1.00 0.95 C ATOM 913 OD1 ASP A 70 51.658 35.551-147.017 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.430 34.385-147.396 1.00 1.34 O ATOM 0 H ASP A 70 54.821 37.041-145.482 1.00 0.72 H new ATOM 0 HA ASP A 70 51.927 36.793-144.681 1.00 0.78 H new ATOM 0 HB2 ASP A 70 53.987 34.564-144.984 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.286 34.376-144.604 1.00 0.83 H new ATOM 919 N GLY A 71 54.550 37.165-142.980 1.00 0.50 N ATOM 920 CA GLY A 71 55.099 37.290-141.605 1.00 0.43 C ATOM 921 C GLY A 71 55.667 35.958-141.100 1.00 0.34 C ATOM 922 O GLY A 71 55.628 35.685-139.918 1.00 0.31 O ATOM 0 H GLY A 71 55.085 37.648-143.702 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.882 38.048-141.593 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.315 37.631-140.929 1.00 0.43 H new ATOM 926 N GLU A 72 56.218 35.128-141.950 1.00 0.36 N ATOM 927 CA GLU A 72 56.787 33.858-141.416 1.00 0.34 C ATOM 928 C GLU A 72 58.038 34.219-140.617 1.00 0.30 C ATOM 929 O GLU A 72 58.182 33.856-139.467 1.00 0.30 O ATOM 930 CB GLU A 72 57.162 32.930-142.574 1.00 0.40 C ATOM 931 CG GLU A 72 57.862 31.685-142.025 1.00 1.23 C ATOM 932 CD GLU A 72 56.872 30.863-141.199 1.00 1.97 C ATOM 933 OE1 GLU A 72 55.684 30.964-141.463 1.00 2.64 O ATOM 934 OE2 GLU A 72 57.316 30.147-140.317 1.00 2.68 O ATOM 0 H GLU A 72 56.297 35.268-142.957 1.00 0.36 H new ATOM 0 HA GLU A 72 56.061 33.345-140.786 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.268 32.643-143.128 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.817 33.450-143.273 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.254 31.084-142.846 1.00 1.23 H new ATOM 0 HG3 GLU A 72 58.713 31.976-141.408 1.00 1.23 H new ATOM 941 N LYS A 73 58.945 34.946-141.213 1.00 0.31 N ATOM 942 CA LYS A 73 60.167 35.328-140.454 1.00 0.33 C ATOM 943 C LYS A 73 59.693 35.825-139.091 1.00 0.29 C ATOM 944 O LYS A 73 60.379 35.721-138.087 1.00 0.29 O ATOM 945 CB LYS A 73 60.953 36.424-141.179 1.00 0.38 C ATOM 946 CG LYS A 73 60.179 36.903-142.405 1.00 0.55 C ATOM 947 CD LYS A 73 60.422 35.943-143.573 1.00 1.07 C ATOM 948 CE LYS A 73 61.916 35.901-143.898 1.00 1.38 C ATOM 949 NZ LYS A 73 62.101 35.842-145.376 1.00 2.36 N ATOM 0 H LYS A 73 58.894 35.286-142.173 1.00 0.31 H new ATOM 0 HA LYS A 73 60.839 34.475-140.356 1.00 0.33 H new ATOM 0 HB2 LYS A 73 61.133 37.260-140.504 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.928 36.043-141.481 1.00 0.38 H new ATOM 0 HG2 LYS A 73 59.114 36.954-142.178 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.495 37.910-142.677 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.067 34.945-143.317 1.00 1.07 H new ATOM 0 HD3 LYS A 73 59.858 36.267-144.447 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.412 36.783-143.494 1.00 1.38 H new ATOM 0 HE3 LYS A 73 62.377 35.032-143.428 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 63.117 35.813-145.598 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 61.641 34.987-145.750 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 61.675 36.684-145.813 1.00 2.36 H new ATOM 963 N GLU A 74 58.470 36.282-139.046 1.00 0.28 N ATOM 964 CA GLU A 74 57.876 36.711-137.757 1.00 0.28 C ATOM 965 C GLU A 74 57.477 35.426-137.047 1.00 0.26 C ATOM 966 O GLU A 74 57.611 35.275-135.866 1.00 0.27 O ATOM 967 CB GLU A 74 56.631 37.554-138.014 1.00 0.31 C ATOM 968 CG GLU A 74 56.398 38.477-136.823 1.00 0.37 C ATOM 969 CD GLU A 74 54.910 38.488-136.465 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.112 38.152-137.324 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.594 38.835-135.339 1.00 1.14 O ATOM 0 H GLU A 74 57.857 36.375-139.856 1.00 0.28 H new ATOM 0 HA GLU A 74 58.573 37.309-137.170 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.755 38.140-138.925 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.765 36.909-138.165 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.985 38.140-135.969 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.732 39.487-137.062 1.00 0.37 H new ATOM 978 N ALA A 75 57.004 34.500-137.819 1.00 0.25 N ATOM 979 CA ALA A 75 56.615 33.187-137.244 1.00 0.27 C ATOM 980 C ALA A 75 57.849 32.650-136.544 1.00 0.26 C ATOM 981 O ALA A 75 57.881 32.524-135.341 1.00 0.27 O ATOM 982 CB ALA A 75 56.163 32.227-138.347 1.00 0.30 C ATOM 0 H ALA A 75 56.868 34.592-138.826 1.00 0.25 H new ATOM 0 HA ALA A 75 55.780 33.291-136.552 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.882 31.271-137.905 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.305 32.651-138.869 1.00 0.30 H new ATOM 0 HB3 ALA A 75 56.979 32.074-139.053 1.00 0.30 H new ATOM 988 N ARG A 76 58.871 32.337-137.278 1.00 0.28 N ATOM 989 CA ARG A 76 60.097 31.817-136.624 1.00 0.31 C ATOM 990 C ARG A 76 60.402 32.693-135.412 1.00 0.28 C ATOM 991 O ARG A 76 60.638 32.203-134.327 1.00 0.30 O ATOM 992 CB ARG A 76 61.271 31.868-137.606 1.00 0.35 C ATOM 993 CG ARG A 76 61.071 30.816-138.699 1.00 0.66 C ATOM 994 CD ARG A 76 62.396 30.574-139.427 1.00 1.00 C ATOM 995 NE ARG A 76 62.805 29.142-139.286 1.00 1.51 N ATOM 996 CZ ARG A 76 62.701 28.523-138.139 1.00 2.03 C ATOM 997 NH1 ARG A 76 62.275 29.160-137.083 1.00 2.34 N ATOM 998 NH2 ARG A 76 63.036 27.265-138.048 1.00 3.14 N ATOM 0 H ARG A 76 58.913 32.417-138.294 1.00 0.28 H new ATOM 0 HA ARG A 76 59.946 30.783-136.313 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.343 32.860-138.051 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.208 31.686-137.079 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.710 29.886-138.261 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.312 31.151-139.406 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.292 30.829-140.482 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.169 31.223-139.017 1.00 1.00 H new ATOM 0 HE ARG A 76 63.170 28.641-140.096 1.00 1.51 H new ATOM 0 HH11 ARG A 76 62.021 30.146-137.150 1.00 2.34 H new ATOM 0 HH12 ARG A 76 62.196 28.672-136.191 1.00 2.34 H new ATOM 0 HH21 ARG A 76 63.378 26.767-138.870 1.00 3.14 H new ATOM 0 HH22 ARG A 76 62.956 26.779-137.155 1.00 3.14 H new ATOM 1012 N LEU A 77 60.394 33.983-135.585 1.00 0.30 N ATOM 1013 CA LEU A 77 60.681 34.882-134.429 1.00 0.31 C ATOM 1014 C LEU A 77 59.720 34.556-133.282 1.00 0.29 C ATOM 1015 O LEU A 77 60.127 34.183-132.202 1.00 0.30 O ATOM 1016 CB LEU A 77 60.495 36.338-134.855 1.00 0.35 C ATOM 1017 CG LEU A 77 61.758 36.823-135.568 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.424 38.041-136.429 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.815 37.208-134.529 1.00 0.38 C ATOM 0 H LEU A 77 60.203 34.454-136.469 1.00 0.30 H new ATOM 0 HA LEU A 77 61.708 34.732-134.097 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.633 36.428-135.516 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.294 36.961-133.983 1.00 0.35 H new ATOM 0 HG LEU A 77 62.144 36.025-136.202 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.325 38.386-136.937 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.672 37.768-137.169 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.036 38.839-135.796 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.715 37.554-135.037 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.428 38.005-133.894 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.055 36.340-133.915 1.00 0.38 H new ATOM 1031 N ILE A 78 58.448 34.685-133.521 1.00 0.29 N ATOM 1032 CA ILE A 78 57.434 34.381-132.472 1.00 0.32 C ATOM 1033 C ILE A 78 57.728 33.017-131.866 1.00 0.30 C ATOM 1034 O ILE A 78 57.719 32.844-130.670 1.00 0.32 O ATOM 1035 CB ILE A 78 56.050 34.360-133.103 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.700 35.774-133.548 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.023 33.875-132.079 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.822 35.709-134.790 1.00 0.37 C ATOM 0 H ILE A 78 58.060 34.993-134.412 1.00 0.29 H new ATOM 0 HA ILE A 78 57.473 35.144-131.694 1.00 0.32 H new ATOM 0 HB ILE A 78 56.041 33.685-133.959 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.180 36.301-132.748 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.609 36.336-133.761 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.033 33.861-132.535 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.285 32.869-131.750 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.018 34.548-131.222 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.570 36.720-135.111 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.359 35.198-135.589 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.907 35.162-134.561 1.00 0.37 H new ATOM 1050 N ARG A 79 58.010 32.055-132.689 1.00 0.29 N ATOM 1051 CA ARG A 79 58.337 30.699-132.151 1.00 0.32 C ATOM 1052 C ARG A 79 59.637 30.800-131.347 1.00 0.26 C ATOM 1053 O ARG A 79 59.845 30.081-130.390 1.00 0.26 O ATOM 1054 CB ARG A 79 58.517 29.710-133.305 1.00 0.38 C ATOM 1055 CG ARG A 79 59.456 28.584-132.869 1.00 0.39 C ATOM 1056 CD ARG A 79 59.262 27.373-133.785 1.00 0.39 C ATOM 1057 NE ARG A 79 60.009 27.585-135.056 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.240 26.579-135.853 1.00 2.14 C ATOM 1059 NH1 ARG A 79 59.816 25.385-135.537 1.00 2.28 N ATOM 1060 NH2 ARG A 79 60.894 26.765-136.966 1.00 3.27 N ATOM 0 H ARG A 79 58.030 32.140-133.705 1.00 0.29 H new ATOM 0 HA ARG A 79 57.527 30.345-131.513 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.551 29.299-133.600 1.00 0.38 H new ATOM 0 HB3 ARG A 79 58.925 30.222-134.176 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.491 28.923-132.911 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.253 28.307-131.835 1.00 0.39 H new ATOM 0 HD2 ARG A 79 59.616 26.469-133.290 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.202 27.228-133.994 1.00 0.39 H new ATOM 0 HE ARG A 79 60.340 28.518-135.303 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.304 25.239-134.667 1.00 2.28 H new ATOM 0 HH12 ARG A 79 59.997 24.598-136.160 1.00 2.28 H new ATOM 0 HH21 ARG A 79 61.225 27.698-137.213 1.00 3.27 H new ATOM 0 HH22 ARG A 79 61.074 25.978-137.589 1.00 3.27 H new ATOM 1074 N ASN A 80 60.506 31.706-131.717 1.00 0.23 N ATOM 1075 CA ASN A 80 61.784 31.872-130.965 1.00 0.21 C ATOM 1076 C ASN A 80 61.492 32.655-129.688 1.00 0.21 C ATOM 1077 O ASN A 80 62.197 32.549-128.703 1.00 0.22 O ATOM 1078 CB ASN A 80 62.794 32.636-131.821 1.00 0.23 C ATOM 1079 CG ASN A 80 62.948 31.939-133.174 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.824 32.562-134.209 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.214 30.661-133.209 1.00 1.15 N ATOM 0 H ASN A 80 60.384 32.338-132.508 1.00 0.23 H new ATOM 0 HA ASN A 80 62.203 30.896-130.719 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.460 33.664-131.965 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.757 32.682-131.312 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.318 30.186-134.106 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.318 30.138-132.340 1.00 1.15 H new ATOM 1088 N LEU A 81 60.409 33.380-129.674 1.00 0.23 N ATOM 1089 CA LEU A 81 60.021 34.103-128.438 1.00 0.28 C ATOM 1090 C LEU A 81 59.358 33.057-127.564 1.00 0.30 C ATOM 1091 O LEU A 81 59.728 32.828-126.432 1.00 0.31 O ATOM 1092 CB LEU A 81 59.028 35.224-128.764 1.00 0.35 C ATOM 1093 CG LEU A 81 59.790 36.497-129.135 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.122 36.478-130.627 1.00 1.28 C ATOM 1095 CD2 LEU A 81 58.920 37.717-128.823 1.00 1.26 C ATOM 0 H LEU A 81 59.778 33.501-130.466 1.00 0.23 H new ATOM 0 HA LEU A 81 60.878 34.567-127.950 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.382 34.922-129.588 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.383 35.412-127.906 1.00 0.35 H new ATOM 0 HG LEU A 81 60.714 36.549-128.559 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.665 37.386-130.890 1.00 1.28 H new ATOM 0 HD12 LEU A 81 60.739 35.608-130.851 1.00 1.28 H new ATOM 0 HD13 LEU A 81 59.199 36.427-131.205 1.00 1.28 H new ATOM 0 HD21 LEU A 81 59.460 38.626-129.086 1.00 1.26 H new ATOM 0 HD22 LEU A 81 57.997 37.663-129.401 1.00 1.26 H new ATOM 0 HD23 LEU A 81 58.682 37.732-127.759 1.00 1.26 H new ATOM 1107 N ASN A 82 58.405 32.384-128.132 1.00 0.35 N ATOM 1108 CA ASN A 82 57.712 31.293-127.420 1.00 0.42 C ATOM 1109 C ASN A 82 58.767 30.399-126.784 1.00 0.37 C ATOM 1110 O ASN A 82 58.810 30.233-125.582 1.00 0.38 O ATOM 1111 CB ASN A 82 56.886 30.510-128.448 1.00 0.51 C ATOM 1112 CG ASN A 82 55.503 31.150-128.587 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.566 30.509-129.020 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.336 32.396-128.236 1.00 0.98 N ATOM 0 H ASN A 82 58.072 32.551-129.082 1.00 0.35 H new ATOM 0 HA ASN A 82 57.051 31.673-126.641 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.395 30.506-129.412 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.787 29.471-128.135 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.418 32.832-128.325 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.123 32.933-127.873 1.00 0.98 H new ATOM 1121 N VAL A 83 59.635 29.840-127.577 1.00 0.35 N ATOM 1122 CA VAL A 83 60.705 28.981-127.008 1.00 0.36 C ATOM 1123 C VAL A 83 61.432 29.773-125.923 1.00 0.32 C ATOM 1124 O VAL A 83 61.561 29.331-124.805 1.00 0.35 O ATOM 1125 CB VAL A 83 61.694 28.603-128.113 1.00 0.38 C ATOM 1126 CG1 VAL A 83 62.792 27.712-127.535 1.00 0.42 C ATOM 1127 CG2 VAL A 83 60.955 27.849-129.221 1.00 0.44 C ATOM 0 H VAL A 83 59.649 29.941-128.592 1.00 0.35 H new ATOM 0 HA VAL A 83 60.275 28.072-126.586 1.00 0.36 H new ATOM 0 HB VAL A 83 62.142 29.508-128.524 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.495 27.444-128.323 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.319 28.249-126.746 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.347 26.807-127.123 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.658 27.579-130.009 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.507 26.945-128.809 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.173 28.485-129.635 1.00 0.44 H new ATOM 1137 N ILE A 84 61.908 30.943-126.250 1.00 0.27 N ATOM 1138 CA ILE A 84 62.623 31.746-125.226 1.00 0.30 C ATOM 1139 C ILE A 84 61.833 31.681-123.920 1.00 0.31 C ATOM 1140 O ILE A 84 62.369 31.382-122.869 1.00 0.37 O ATOM 1141 CB ILE A 84 62.732 33.194-125.679 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.870 33.314-126.687 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.026 34.087-124.473 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.646 34.551-127.546 1.00 0.37 C ATOM 0 H ILE A 84 61.833 31.372-127.172 1.00 0.27 H new ATOM 0 HA ILE A 84 63.627 31.347-125.082 1.00 0.30 H new ATOM 0 HB ILE A 84 61.795 33.507-126.139 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.826 33.385-126.168 1.00 0.37 H new ATOM 0 HG13 ILE A 84 63.913 32.423-127.314 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.104 35.124-124.799 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.219 33.994-123.746 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.965 33.780-124.013 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.456 34.643-128.269 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.697 34.460-128.074 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.624 35.436-126.910 1.00 0.37 H new ATOM 1156 N LEU A 85 60.559 31.966-123.975 1.00 0.35 N ATOM 1157 CA LEU A 85 59.735 31.929-122.734 1.00 0.42 C ATOM 1158 C LEU A 85 59.680 30.504-122.187 1.00 0.42 C ATOM 1159 O LEU A 85 59.766 30.286-120.997 1.00 0.47 O ATOM 1160 CB LEU A 85 58.321 32.416-123.044 1.00 0.54 C ATOM 1161 CG LEU A 85 58.277 33.935-122.902 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.492 34.309-121.435 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.388 34.556-123.749 1.00 0.61 C ATOM 0 H LEU A 85 60.055 32.222-124.824 1.00 0.35 H new ATOM 0 HA LEU A 85 60.187 32.580-121.985 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.035 32.124-124.054 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.606 31.953-122.364 1.00 0.54 H new ATOM 0 HG LEU A 85 57.309 34.307-123.239 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.462 35.393-121.328 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.706 33.862-120.827 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.462 33.939-121.104 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.358 35.641-123.649 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.355 34.186-123.408 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.244 34.284-124.795 1.00 0.61 H new ATOM 1175 N ALA A 86 59.544 29.530-123.040 1.00 0.47 N ATOM 1176 CA ALA A 86 59.494 28.124-122.555 1.00 0.58 C ATOM 1177 C ALA A 86 60.873 27.741-122.010 1.00 0.59 C ATOM 1178 O ALA A 86 61.027 26.775-121.289 1.00 0.73 O ATOM 1179 CB ALA A 86 59.125 27.197-123.714 1.00 0.64 C ATOM 0 H ALA A 86 59.465 29.646-124.050 1.00 0.47 H new ATOM 0 HA ALA A 86 58.745 28.028-121.768 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.088 26.167-123.359 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.149 27.479-124.109 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.874 27.283-124.501 1.00 0.64 H new ATOM 1185 N LYS A 87 61.877 28.496-122.365 1.00 0.50 N ATOM 1186 CA LYS A 87 63.259 28.198-121.896 1.00 0.60 C ATOM 1187 C LYS A 87 63.454 28.775-120.500 1.00 0.58 C ATOM 1188 O LYS A 87 63.939 28.112-119.604 1.00 0.71 O ATOM 1189 CB LYS A 87 64.257 28.847-122.850 1.00 0.61 C ATOM 1190 CG LYS A 87 65.591 28.102-122.785 1.00 0.82 C ATOM 1191 CD LYS A 87 66.658 28.901-123.535 1.00 0.99 C ATOM 1192 CE LYS A 87 66.771 28.380-124.969 1.00 1.63 C ATOM 1193 NZ LYS A 87 67.525 27.094-124.973 1.00 2.02 N ATOM 0 H LYS A 87 61.797 29.316-122.967 1.00 0.50 H new ATOM 0 HA LYS A 87 63.415 27.120-121.871 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.868 28.827-123.868 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.401 29.894-122.584 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.890 27.960-121.747 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.488 27.110-123.225 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.398 29.960-123.541 1.00 0.99 H new ATOM 0 HD3 LYS A 87 67.618 28.811-123.027 1.00 0.99 H new ATOM 0 HE2 LYS A 87 65.778 28.233-125.393 1.00 1.63 H new ATOM 0 HE3 LYS A 87 67.279 29.114-125.595 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 67.881 26.903-125.931 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.326 27.159-124.313 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 66.895 26.321-124.677 1.00 2.02 H new ATOM 1207 N TYR A 88 63.058 29.997-120.301 1.00 0.45 N ATOM 1208 CA TYR A 88 63.201 30.600-118.950 1.00 0.47 C ATOM 1209 C TYR A 88 62.057 30.079-118.093 1.00 0.54 C ATOM 1210 O TYR A 88 62.113 30.069-116.879 1.00 0.58 O ATOM 1211 CB TYR A 88 63.127 32.126-119.045 1.00 0.44 C ATOM 1212 CG TYR A 88 64.436 32.661-119.574 1.00 0.45 C ATOM 1213 CD1 TYR A 88 64.653 32.740-120.955 1.00 0.53 C ATOM 1214 CD2 TYR A 88 65.433 33.078-118.684 1.00 0.58 C ATOM 1215 CE1 TYR A 88 65.868 33.235-121.445 1.00 0.62 C ATOM 1216 CE2 TYR A 88 66.647 33.573-119.174 1.00 0.64 C ATOM 1217 CZ TYR A 88 66.864 33.652-120.555 1.00 0.61 C ATOM 1218 OH TYR A 88 68.061 34.140-121.038 1.00 0.73 O ATOM 0 H TYR A 88 62.644 30.602-121.010 1.00 0.45 H new ATOM 0 HA TYR A 88 64.163 30.333-118.513 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.309 32.421-119.702 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.917 32.552-118.064 1.00 0.44 H new ATOM 0 HD1 TYR A 88 63.884 32.419-121.642 1.00 0.53 H new ATOM 0 HD2 TYR A 88 65.265 33.018-117.619 1.00 0.58 H new ATOM 0 HE1 TYR A 88 66.036 33.295-122.510 1.00 0.62 H new ATOM 0 HE2 TYR A 88 67.416 33.894-118.487 1.00 0.64 H new ATOM 0 HH TYR A 88 68.118 33.971-122.002 1.00 0.73 H new ATOM 1228 N GLY A 89 61.004 29.673-118.738 1.00 0.59 N ATOM 1229 CA GLY A 89 59.819 29.174-117.991 1.00 0.69 C ATOM 1230 C GLY A 89 58.998 30.386-117.567 1.00 0.77 C ATOM 1231 O GLY A 89 58.527 30.479-116.451 1.00 1.09 O ATOM 0 H GLY A 89 60.911 29.665-119.754 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.224 28.508-118.617 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.130 28.598-117.119 1.00 0.69 H new ATOM 1235 N LEU A 90 58.831 31.318-118.462 1.00 0.65 N ATOM 1236 CA LEU A 90 58.052 32.538-118.146 1.00 0.75 C ATOM 1237 C LEU A 90 56.925 32.698-119.165 1.00 0.80 C ATOM 1238 O LEU A 90 56.619 33.791-119.597 1.00 1.31 O ATOM 1239 CB LEU A 90 58.982 33.745-118.231 1.00 0.82 C ATOM 1240 CG LEU A 90 59.080 34.405-116.865 1.00 1.03 C ATOM 1241 CD1 LEU A 90 60.242 35.400-116.868 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.769 35.137-116.573 1.00 1.68 C ATOM 0 H LEU A 90 59.207 31.282-119.409 1.00 0.65 H new ATOM 0 HA LEU A 90 57.627 32.461-117.145 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.971 33.433-118.568 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.605 34.457-118.965 1.00 0.82 H new ATOM 0 HG LEU A 90 59.255 33.652-116.096 1.00 1.03 H new ATOM 0 HD11 LEU A 90 60.316 35.876-115.890 1.00 1.50 H new ATOM 0 HD12 LEU A 90 61.171 34.874-117.087 1.00 1.50 H new ATOM 0 HD13 LEU A 90 60.068 36.160-117.629 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.829 35.614-115.595 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.598 35.895-117.337 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.945 34.424-116.579 1.00 1.68 H new ATOM 1254 N ASP A 91 56.301 31.621-119.558 1.00 0.77 N ATOM 1255 CA ASP A 91 55.205 31.730-120.547 1.00 0.87 C ATOM 1256 C ASP A 91 53.951 32.220-119.829 1.00 1.30 C ATOM 1257 O ASP A 91 53.890 33.339-119.358 1.00 1.70 O ATOM 1258 CB ASP A 91 54.949 30.356-121.169 1.00 1.04 C ATOM 1259 CG ASP A 91 56.283 29.723-121.572 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.304 30.187-121.094 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.259 28.787-122.354 1.00 0.84 O ATOM 0 H ASP A 91 56.506 30.675-119.235 1.00 0.77 H new ATOM 0 HA ASP A 91 55.473 32.432-121.337 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.429 29.714-120.458 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.302 30.454-122.041 1.00 1.04 H new ATOM 1266 N GLY A 92 52.948 31.399-119.747 1.00 1.77 N ATOM 1267 CA GLY A 92 51.694 31.827-119.065 1.00 2.22 C ATOM 1268 C GLY A 92 51.181 33.107-119.726 1.00 2.72 C ATOM 1269 O GLY A 92 51.058 34.140-119.097 1.00 3.30 O ATOM 0 H GLY A 92 52.938 30.450-120.121 1.00 1.77 H new ATOM 0 HA2 GLY A 92 50.942 31.041-119.132 1.00 2.22 H new ATOM 0 HA3 GLY A 92 51.882 31.999-118.005 1.00 2.22 H new ATOM 1273 N LYS A 93 50.888 33.048-120.996 1.00 3.13 N ATOM 1274 CA LYS A 93 50.392 34.259-121.709 1.00 3.96 C ATOM 1275 C LYS A 93 48.870 34.350-121.585 1.00 4.22 C ATOM 1276 O LYS A 93 48.267 35.307-122.024 1.00 4.63 O ATOM 1277 CB LYS A 93 50.779 34.174-123.186 1.00 4.60 C ATOM 1278 CG LYS A 93 50.819 35.580-123.786 1.00 4.79 C ATOM 1279 CD LYS A 93 51.058 35.485-125.294 1.00 5.91 C ATOM 1280 CE LYS A 93 52.321 34.662-125.561 1.00 6.60 C ATOM 1281 NZ LYS A 93 53.374 35.037-124.575 1.00 6.86 N ATOM 0 H LYS A 93 50.971 32.211-121.572 1.00 3.13 H new ATOM 0 HA LYS A 93 50.841 35.147-121.263 1.00 3.96 H new ATOM 0 HB2 LYS A 93 51.752 33.695-123.291 1.00 4.60 H new ATOM 0 HB3 LYS A 93 50.061 33.557-123.726 1.00 4.60 H new ATOM 0 HG2 LYS A 93 49.881 36.098-123.588 1.00 4.79 H new ATOM 0 HG3 LYS A 93 51.611 36.164-123.318 1.00 4.79 H new ATOM 0 HD2 LYS A 93 50.200 35.021-125.780 1.00 5.91 H new ATOM 0 HD3 LYS A 93 51.165 36.483-125.719 1.00 5.91 H new ATOM 0 HE2 LYS A 93 52.098 33.598-125.484 1.00 6.60 H new ATOM 0 HE3 LYS A 93 52.677 34.841-126.576 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 54.313 34.913-125.005 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 53.250 36.031-124.296 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 53.295 34.429-123.735 1.00 6.86 H new ATOM 1295 N LYS A 94 48.247 33.354-121.005 1.00 4.52 N ATOM 1296 CA LYS A 94 46.760 33.361-120.856 1.00 5.25 C ATOM 1297 C LYS A 94 46.153 32.428-121.904 1.00 5.64 C ATOM 1298 O LYS A 94 46.437 32.534-123.081 1.00 6.30 O ATOM 1299 CB LYS A 94 46.204 34.775-121.041 1.00 6.00 C ATOM 1300 CG LYS A 94 44.784 34.842-120.476 1.00 6.18 C ATOM 1301 CD LYS A 94 43.988 35.916-121.220 1.00 7.02 C ATOM 1302 CE LYS A 94 43.671 35.430-122.636 1.00 7.55 C ATOM 1303 NZ LYS A 94 42.268 35.793-122.983 1.00 7.75 N ATOM 0 H LYS A 94 48.711 32.529-120.625 1.00 4.52 H new ATOM 0 HA LYS A 94 46.500 33.019-119.854 1.00 5.25 H new ATOM 0 HB2 LYS A 94 46.843 35.498-120.534 1.00 6.00 H new ATOM 0 HB3 LYS A 94 46.199 35.040-122.098 1.00 6.00 H new ATOM 0 HG2 LYS A 94 44.294 33.874-120.580 1.00 6.18 H new ATOM 0 HG3 LYS A 94 44.816 35.071-119.411 1.00 6.18 H new ATOM 0 HD2 LYS A 94 43.064 36.135-120.684 1.00 7.02 H new ATOM 0 HD3 LYS A 94 44.560 36.843-121.262 1.00 7.02 H new ATOM 0 HE2 LYS A 94 44.361 35.880-123.350 1.00 7.55 H new ATOM 0 HE3 LYS A 94 43.805 34.350-122.700 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 42.052 35.463-123.945 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 41.616 35.344-122.308 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 42.155 36.826-122.938 1.00 7.75 H new ATOM 1317 N ASP A 95 45.322 31.511-121.488 1.00 5.55 N ATOM 1318 CA ASP A 95 44.707 30.568-122.464 1.00 6.18 C ATOM 1319 C ASP A 95 45.777 30.124-123.464 1.00 6.72 C ATOM 1320 O ASP A 95 46.938 30.452-123.322 1.00 7.02 O ATOM 1321 CB ASP A 95 43.569 31.271-123.209 1.00 6.12 C ATOM 1322 CG ASP A 95 42.785 30.246-124.029 1.00 6.05 C ATOM 1323 OD1 ASP A 95 43.159 29.085-124.005 1.00 6.23 O ATOM 1324 OD2 ASP A 95 41.823 30.639-124.669 1.00 6.22 O ATOM 0 H ASP A 95 45.043 31.375-120.516 1.00 5.55 H new ATOM 0 HA ASP A 95 44.308 29.700-121.939 1.00 6.18 H new ATOM 0 HB2 ASP A 95 42.907 31.767-122.499 1.00 6.12 H new ATOM 0 HB3 ASP A 95 43.972 32.044-123.863 1.00 6.12 H new ATOM 1329 N ALA A 96 45.407 29.377-124.468 1.00 7.12 N ATOM 1330 CA ALA A 96 46.419 28.921-125.463 1.00 7.86 C ATOM 1331 C ALA A 96 47.262 30.115-125.919 1.00 8.30 C ATOM 1332 O ALA A 96 47.203 31.185-125.346 1.00 8.93 O ATOM 1333 CB ALA A 96 45.708 28.308-126.671 1.00 8.22 C ATOM 0 H ALA A 96 44.452 29.064-124.642 1.00 7.12 H new ATOM 0 HA ALA A 96 47.066 28.173-125.005 1.00 7.86 H new ATOM 0 HB1 ALA A 96 46.448 27.975-127.398 1.00 8.22 H new ATOM 0 HB2 ALA A 96 45.109 27.457-126.347 1.00 8.22 H new ATOM 0 HB3 ALA A 96 45.060 29.055-127.129 1.00 8.22 H new ATOM 1339 N ARG A 97 48.045 29.942-126.947 1.00 8.23 N ATOM 1340 CA ARG A 97 48.888 31.069-127.437 1.00 8.95 C ATOM 1341 C ARG A 97 50.131 31.197-126.553 1.00 9.53 C ATOM 1342 O ARG A 97 50.433 32.256-126.041 1.00 9.76 O ATOM 1343 CB ARG A 97 48.086 32.370-127.382 1.00 8.85 C ATOM 1344 CG ARG A 97 48.395 33.216-128.618 1.00 8.58 C ATOM 1345 CD ARG A 97 49.884 33.567-128.637 1.00 8.65 C ATOM 1346 NE ARG A 97 50.237 34.156-129.959 1.00 9.34 N ATOM 1347 CZ ARG A 97 51.362 34.801-130.107 1.00 9.46 C ATOM 1348 NH1 ARG A 97 52.178 34.929-129.096 1.00 9.01 N ATOM 1349 NH2 ARG A 97 51.672 35.318-131.264 1.00 10.30 N ATOM 0 H ARG A 97 48.138 29.070-127.469 1.00 8.23 H new ATOM 0 HA ARG A 97 49.192 30.875-128.466 1.00 8.95 H new ATOM 0 HB2 ARG A 97 47.019 32.150-127.337 1.00 8.85 H new ATOM 0 HB3 ARG A 97 48.335 32.925-126.478 1.00 8.85 H new ATOM 0 HG2 ARG A 97 48.128 32.669-129.522 1.00 8.58 H new ATOM 0 HG3 ARG A 97 47.796 34.127-128.608 1.00 8.58 H new ATOM 0 HD2 ARG A 97 50.112 34.274-127.839 1.00 8.65 H new ATOM 0 HD3 ARG A 97 50.482 32.674-128.453 1.00 8.65 H new ATOM 0 HE ARG A 97 49.599 34.055-130.749 1.00 9.34 H new ATOM 0 HH11 ARG A 97 51.936 34.525-128.191 1.00 9.01 H new ATOM 0 HH12 ARG A 97 53.057 35.433-129.211 1.00 9.01 H new ATOM 0 HH21 ARG A 97 51.035 35.218-132.054 1.00 10.30 H new ATOM 0 HH22 ARG A 97 52.551 35.822-131.378 1.00 10.30 H new ATOM 1363 N GLN A 98 50.852 30.125-126.369 1.00 9.97 N ATOM 1364 CA GLN A 98 52.073 30.186-125.518 1.00 10.76 C ATOM 1365 C GLN A 98 53.124 31.066-126.196 1.00 10.99 C ATOM 1366 O GLN A 98 53.004 31.287-127.389 1.00 11.00 O ATOM 1367 CB GLN A 98 52.635 28.775-125.329 1.00 11.07 C ATOM 1368 CG GLN A 98 52.964 28.170-126.695 1.00 11.38 C ATOM 1369 CD GLN A 98 51.936 27.090-127.037 1.00 11.58 C ATOM 1370 OE1 GLN A 98 50.761 27.247-126.769 1.00 11.67 O ATOM 1371 NE2 GLN A 98 52.331 25.992-127.621 1.00 11.85 N ATOM 0 H GLN A 98 50.648 29.210-126.771 1.00 9.97 H new ATOM 0 HA GLN A 98 51.817 30.608-124.546 1.00 10.76 H new ATOM 0 HB2 GLN A 98 53.531 28.809-124.709 1.00 11.07 H new ATOM 0 HB3 GLN A 98 51.910 28.150-124.808 1.00 11.07 H new ATOM 0 HG2 GLN A 98 52.958 28.947-127.459 1.00 11.38 H new ATOM 0 HG3 GLN A 98 53.966 27.742-126.683 1.00 11.38 H new ATOM 0 HE21 GLN A 98 53.317 25.860-127.846 1.00 11.85 H new ATOM 0 HE22 GLN A 98 51.654 25.265-127.853 1.00 11.85 H new TER 1380 GLN A 98