USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN :FLIP amide:sc= -14.3! C(o=-20!,f=-18!) USER MOD Set 1.2: A 80 ASN : amide:sc= -4.18! C(o=-18!,f=-20!) USER MOD Set 2.1: A 22 MET CE :methyl -165:sc= -1.41 (180deg=0) USER MOD Set 2.2: A 24 LYS NZ :NH3+ -159:sc= -13! (180deg=-10.9!) USER MOD Single : A 26 ASN : amide:sc= -8.71! C(o=-8.7!,f=-22!) USER MOD Single : A 27 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.05) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -1.4 (180deg=-2.12) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.222 F(o=-3.2!,f=-0.22) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.87! C(o=-5.3!,f=-2.9!) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -8.76! C(o=-12!,f=-8.8!) USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= -2.62! (180deg=-2.98) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.147) USER MOD Single : A 82 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -20:sc= -6.02! USER MOD Single : A 93 LYS NZ :NH3+ 144:sc= -0.275 (180deg=-1.46!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.417 K(o=-0.42,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 64.320 57.220-124.969 1.00 3.57 N ATOM 2 CA GLY A 17 64.591 55.858-125.607 1.00 2.94 C ATOM 3 C GLY A 17 63.723 54.699-125.254 1.00 2.17 C ATOM 4 O GLY A 17 63.550 54.371-124.097 1.00 2.41 O ATOM 0 HA2 GLY A 17 64.540 55.987-126.688 1.00 2.94 H new ATOM 0 HA3 GLY A 17 65.618 55.583-125.367 1.00 2.94 H new ATOM 8 N GLU A 18 63.156 54.050-126.234 1.00 1.64 N ATOM 9 CA GLU A 18 62.276 52.884-125.945 1.00 0.99 C ATOM 10 C GLU A 18 63.099 51.595-126.016 1.00 0.98 C ATOM 11 O GLU A 18 63.504 51.166-127.078 1.00 1.60 O ATOM 12 CB GLU A 18 61.150 52.825-126.977 1.00 1.22 C ATOM 13 CG GLU A 18 59.864 53.386-126.364 1.00 1.64 C ATOM 14 CD GLU A 18 60.047 54.876-126.069 1.00 2.48 C ATOM 15 OE1 GLU A 18 60.865 55.495-126.730 1.00 3.09 O ATOM 16 OE2 GLU A 18 59.365 55.373-125.187 1.00 3.13 O ATOM 0 H GLU A 18 63.265 54.277-127.222 1.00 1.64 H new ATOM 0 HA GLU A 18 61.849 52.990-124.948 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.424 53.399-127.862 1.00 1.22 H new ATOM 0 HB3 GLU A 18 60.992 51.796-127.300 1.00 1.22 H new ATOM 0 HG2 GLU A 18 59.028 53.240-127.049 1.00 1.64 H new ATOM 0 HG3 GLU A 18 59.622 52.850-125.446 1.00 1.64 H new ATOM 23 N GLU A 19 63.350 50.978-124.893 1.00 0.57 N ATOM 24 CA GLU A 19 64.147 49.718-124.901 1.00 0.55 C ATOM 25 C GLU A 19 63.848 48.941-126.190 1.00 0.56 C ATOM 26 O GLU A 19 64.610 48.970-127.137 1.00 0.63 O ATOM 27 CB GLU A 19 63.780 48.868-123.673 1.00 0.45 C ATOM 28 CG GLU A 19 62.258 48.788-123.527 1.00 0.38 C ATOM 29 CD GLU A 19 61.773 47.380-123.879 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.453 46.431-123.522 1.00 2.06 O ATOM 31 OE2 GLU A 19 60.728 47.273-124.500 1.00 1.96 O ATOM 0 H GLU A 19 63.039 51.291-123.973 1.00 0.57 H new ATOM 0 HA GLU A 19 65.211 49.953-124.861 1.00 0.55 H new ATOM 0 HB2 GLU A 19 64.197 47.866-123.776 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.217 49.304-122.775 1.00 0.45 H new ATOM 0 HG2 GLU A 19 61.969 49.037-122.506 1.00 0.38 H new ATOM 0 HG3 GLU A 19 61.783 49.520-124.180 1.00 0.38 H new ATOM 38 N PHE A 20 62.745 48.250-126.228 1.00 0.51 N ATOM 39 CA PHE A 20 62.411 47.478-127.455 1.00 0.54 C ATOM 40 C PHE A 20 61.404 48.245-128.304 1.00 0.55 C ATOM 41 O PHE A 20 60.725 49.147-127.856 1.00 0.57 O ATOM 42 CB PHE A 20 61.840 46.101-127.115 1.00 0.52 C ATOM 43 CG PHE A 20 62.921 45.224-126.520 1.00 0.52 C ATOM 44 CD1 PHE A 20 63.767 45.735-125.536 1.00 0.49 C ATOM 45 CD2 PHE A 20 63.060 43.892-126.937 1.00 0.80 C ATOM 46 CE1 PHE A 20 64.751 44.925-124.960 1.00 0.51 C ATOM 47 CE2 PHE A 20 64.050 43.081-126.363 1.00 0.82 C ATOM 48 CZ PHE A 20 64.892 43.598-125.371 1.00 0.56 C ATOM 0 H PHE A 20 62.066 48.186-125.470 1.00 0.51 H new ATOM 0 HA PHE A 20 63.336 47.339-128.015 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.015 46.204-126.410 1.00 0.52 H new ATOM 0 HB3 PHE A 20 61.435 45.634-128.013 1.00 0.52 H new ATOM 0 HD1 PHE A 20 63.662 46.761-125.217 1.00 0.49 H new ATOM 0 HD2 PHE A 20 62.406 43.492-127.698 1.00 0.80 H new ATOM 0 HE1 PHE A 20 65.402 45.326-124.197 1.00 0.51 H new ATOM 0 HE2 PHE A 20 64.163 42.057-126.687 1.00 0.82 H new ATOM 0 HZ PHE A 20 65.650 42.971-124.924 1.00 0.56 H new ATOM 58 N ARG A 21 61.341 47.875-129.538 1.00 0.57 N ATOM 59 CA ARG A 21 60.412 48.555-130.482 1.00 0.60 C ATOM 60 C ARG A 21 59.114 47.764-130.593 1.00 0.57 C ATOM 61 O ARG A 21 58.164 48.204-131.210 1.00 0.59 O ATOM 62 CB ARG A 21 61.064 48.684-131.858 1.00 0.69 C ATOM 63 CG ARG A 21 62.158 49.757-131.812 1.00 0.74 C ATOM 64 CD ARG A 21 61.595 51.060-131.241 1.00 0.82 C ATOM 65 NE ARG A 21 62.365 52.213-131.787 1.00 1.35 N ATOM 66 CZ ARG A 21 61.900 53.426-131.668 1.00 1.78 C ATOM 67 NH1 ARG A 21 60.759 53.631-131.068 1.00 2.06 N ATOM 68 NH2 ARG A 21 62.576 54.434-132.148 1.00 2.72 N ATOM 0 H ARG A 21 61.896 47.123-129.946 1.00 0.57 H new ATOM 0 HA ARG A 21 60.189 49.552-130.102 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.491 47.728-132.160 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.314 48.947-132.604 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.990 49.412-131.199 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.551 49.930-132.814 1.00 0.74 H new ATOM 0 HD2 ARG A 21 60.541 51.158-131.499 1.00 0.82 H new ATOM 0 HD3 ARG A 21 61.657 51.050-130.153 1.00 0.82 H new ATOM 0 HE ARG A 21 63.257 52.054-132.255 1.00 1.35 H new ATOM 0 HH11 ARG A 21 60.231 52.843-130.692 1.00 2.06 H new ATOM 0 HH12 ARG A 21 60.395 54.579-130.975 1.00 2.06 H new ATOM 0 HH21 ARG A 21 63.468 54.273-132.616 1.00 2.72 H new ATOM 0 HH22 ARG A 21 62.212 55.382-132.055 1.00 2.72 H new ATOM 82 N MET A 22 59.055 46.603-130.008 1.00 0.54 N ATOM 83 CA MET A 22 57.803 45.805-130.096 1.00 0.55 C ATOM 84 C MET A 22 57.087 45.833-128.751 1.00 0.49 C ATOM 85 O MET A 22 57.660 45.521-127.726 1.00 0.63 O ATOM 86 CB MET A 22 58.137 44.358-130.450 1.00 0.61 C ATOM 87 CG MET A 22 58.754 44.299-131.849 1.00 0.71 C ATOM 88 SD MET A 22 57.481 44.658-133.086 1.00 1.14 S ATOM 89 CE MET A 22 56.932 42.954-133.350 1.00 1.25 C ATOM 0 H MET A 22 59.813 46.174-129.477 1.00 0.54 H new ATOM 0 HA MET A 22 57.161 46.232-130.867 1.00 0.55 H new ATOM 0 HB2 MET A 22 58.831 43.945-129.718 1.00 0.61 H new ATOM 0 HB3 MET A 22 57.235 43.747-130.414 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.568 45.019-131.930 1.00 0.71 H new ATOM 0 HG3 MET A 22 59.182 43.313-132.028 1.00 0.71 H new ATOM 0 HE1 MET A 22 56.337 42.901-134.262 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.801 42.302-133.445 1.00 1.25 H new ATOM 0 HE3 MET A 22 56.327 42.631-132.503 1.00 1.25 H new ATOM 99 N GLU A 23 55.839 46.201-128.738 1.00 0.47 N ATOM 100 CA GLU A 23 55.102 46.242-127.449 1.00 0.46 C ATOM 101 C GLU A 23 55.145 44.860-126.803 1.00 0.50 C ATOM 102 O GLU A 23 55.250 44.731-125.599 1.00 0.50 O ATOM 103 CB GLU A 23 53.649 46.654-127.692 1.00 0.50 C ATOM 104 CG GLU A 23 53.607 48.090-128.219 1.00 1.45 C ATOM 105 CD GLU A 23 52.164 48.467-128.559 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.689 48.037-129.596 1.00 2.68 O ATOM 107 OE2 GLU A 23 51.560 49.182-127.776 1.00 2.48 O ATOM 0 H GLU A 23 55.300 46.474-129.560 1.00 0.47 H new ATOM 0 HA GLU A 23 55.569 46.971-126.787 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.183 45.978-128.409 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.079 46.578-126.766 1.00 0.50 H new ATOM 0 HG2 GLU A 23 54.006 48.775-127.471 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.236 48.182-129.104 1.00 1.45 H new ATOM 114 N LYS A 24 55.075 43.825-127.590 1.00 0.54 N ATOM 115 CA LYS A 24 55.125 42.459-127.007 1.00 0.59 C ATOM 116 C LYS A 24 56.431 42.309-126.232 1.00 0.53 C ATOM 117 O LYS A 24 56.442 41.913-125.082 1.00 0.55 O ATOM 118 CB LYS A 24 55.058 41.416-128.126 1.00 0.67 C ATOM 119 CG LYS A 24 56.456 41.186-128.701 1.00 0.64 C ATOM 120 CD LYS A 24 56.358 40.256-129.913 1.00 0.77 C ATOM 121 CE LYS A 24 57.661 40.309-130.710 1.00 1.46 C ATOM 122 NZ LYS A 24 58.117 41.722-130.827 1.00 2.09 N ATOM 0 H LYS A 24 54.986 43.865-128.605 1.00 0.54 H new ATOM 0 HA LYS A 24 54.278 42.307-126.338 1.00 0.59 H new ATOM 0 HB2 LYS A 24 54.655 40.480-127.740 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.382 41.754-128.912 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.903 42.137-128.993 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.106 40.748-127.943 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.162 39.235-129.585 1.00 0.77 H new ATOM 0 HD3 LYS A 24 55.521 40.554-130.545 1.00 0.77 H new ATOM 0 HE2 LYS A 24 58.426 39.709-130.217 1.00 1.46 H new ATOM 0 HE3 LYS A 24 57.511 39.881-131.701 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 58.768 41.811-131.633 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.295 42.341-130.976 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 58.607 42.002-129.953 1.00 2.09 H new ATOM 136 N LEU A 25 57.532 42.629-126.848 1.00 0.47 N ATOM 137 CA LEU A 25 58.841 42.514-126.152 1.00 0.42 C ATOM 138 C LEU A 25 58.833 43.371-124.894 1.00 0.39 C ATOM 139 O LEU A 25 59.073 42.896-123.814 1.00 0.55 O ATOM 140 CB LEU A 25 59.948 43.019-127.076 1.00 0.43 C ATOM 141 CG LEU A 25 60.450 41.880-127.967 1.00 0.57 C ATOM 142 CD1 LEU A 25 60.906 42.442-129.318 1.00 0.92 C ATOM 143 CD2 LEU A 25 61.630 41.181-127.283 1.00 1.03 C ATOM 0 H LEU A 25 57.582 42.967-127.809 1.00 0.47 H new ATOM 0 HA LEU A 25 59.014 41.471-125.887 1.00 0.42 H new ATOM 0 HB2 LEU A 25 59.573 43.836-127.693 1.00 0.43 H new ATOM 0 HB3 LEU A 25 60.772 43.419-126.485 1.00 0.43 H new ATOM 0 HG LEU A 25 59.643 41.165-128.127 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.263 41.628-129.949 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.068 42.940-129.807 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.712 43.159-129.161 1.00 0.92 H new ATOM 0 HD21 LEU A 25 61.989 40.369-127.916 1.00 1.03 H new ATOM 0 HD22 LEU A 25 62.434 41.899-127.122 1.00 1.03 H new ATOM 0 HD23 LEU A 25 61.307 40.777-126.324 1.00 1.03 H new ATOM 155 N ASN A 26 58.578 44.638-125.039 1.00 0.39 N ATOM 156 CA ASN A 26 58.580 45.524-123.841 1.00 0.37 C ATOM 157 C ASN A 26 57.767 44.845-122.748 1.00 0.40 C ATOM 158 O ASN A 26 58.249 44.564-121.669 1.00 0.40 O ATOM 159 CB ASN A 26 57.951 46.879-124.166 1.00 0.41 C ATOM 160 CG ASN A 26 58.339 47.302-125.584 1.00 0.55 C ATOM 161 OD1 ASN A 26 58.923 46.536-126.320 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.038 48.503-125.998 1.00 0.45 N ATOM 0 H ASN A 26 58.370 45.098-125.925 1.00 0.39 H new ATOM 0 HA ASN A 26 59.607 45.692-123.517 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.866 46.817-124.079 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.286 47.628-123.448 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.294 48.797-126.941 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.547 49.148-125.379 1.00 0.45 H new ATOM 169 N GLN A 27 56.523 44.602-123.022 1.00 0.44 N ATOM 170 CA GLN A 27 55.646 43.964-122.005 1.00 0.50 C ATOM 171 C GLN A 27 56.386 42.792-121.371 1.00 0.47 C ATOM 172 O GLN A 27 56.406 42.653-120.165 1.00 0.48 O ATOM 173 CB GLN A 27 54.359 43.468-122.667 1.00 0.59 C ATOM 174 CG GLN A 27 53.347 44.612-122.734 1.00 0.58 C ATOM 175 CD GLN A 27 52.318 44.451-121.614 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.120 45.350-120.822 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.651 43.334-121.514 1.00 2.02 N ATOM 0 H GLN A 27 56.071 44.818-123.910 1.00 0.44 H new ATOM 0 HA GLN A 27 55.389 44.693-121.236 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.572 43.098-123.670 1.00 0.59 H new ATOM 0 HB3 GLN A 27 53.944 42.634-122.101 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.858 45.570-122.637 1.00 0.58 H new ATOM 0 HG3 GLN A 27 52.848 44.614-123.703 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.818 42.579-122.179 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.963 43.216-120.770 1.00 2.02 H new ATOM 186 N LEU A 28 57.014 41.953-122.151 1.00 0.47 N ATOM 187 CA LEU A 28 57.760 40.811-121.544 1.00 0.47 C ATOM 188 C LEU A 28 59.042 41.347-120.908 1.00 0.39 C ATOM 189 O LEU A 28 59.611 40.748-120.017 1.00 0.50 O ATOM 190 CB LEU A 28 58.120 39.794-122.632 1.00 0.50 C ATOM 191 CG LEU A 28 56.975 38.795-122.814 1.00 0.62 C ATOM 192 CD1 LEU A 28 55.743 39.514-123.371 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.408 37.700-123.793 1.00 1.21 C ATOM 0 H LEU A 28 57.044 42.006-123.169 1.00 0.47 H new ATOM 0 HA LEU A 28 57.142 40.324-120.790 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.317 40.309-123.572 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.034 39.266-122.360 1.00 0.50 H new ATOM 0 HG LEU A 28 56.728 38.351-121.850 1.00 0.62 H new ATOM 0 HD11 LEU A 28 54.931 38.798-123.499 1.00 1.41 H new ATOM 0 HD12 LEU A 28 55.433 40.295-122.677 1.00 1.41 H new ATOM 0 HD13 LEU A 28 55.987 39.961-124.335 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.594 36.987-123.924 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.656 38.149-124.755 1.00 1.21 H new ATOM 0 HD23 LEU A 28 58.283 37.183-123.398 1.00 1.21 H new ATOM 205 N TRP A 29 59.484 42.486-121.357 1.00 0.37 N ATOM 206 CA TRP A 29 60.712 43.084-120.780 1.00 0.30 C ATOM 207 C TRP A 29 60.380 43.488-119.363 1.00 0.36 C ATOM 208 O TRP A 29 60.940 42.977-118.397 1.00 0.39 O ATOM 209 CB TRP A 29 61.138 44.305-121.599 1.00 0.32 C ATOM 210 CG TRP A 29 62.422 44.882-121.068 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.736 46.200-121.098 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.564 44.207-120.440 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.981 46.380-120.534 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.533 45.187-120.111 1.00 0.33 C ATOM 215 CE3 TRP A 29 63.861 42.862-120.123 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.739 44.848-119.492 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.072 42.524-119.500 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.008 43.513-119.185 1.00 0.41 C ATOM 0 H TRP A 29 59.045 43.028-122.101 1.00 0.37 H new ATOM 0 HA TRP A 29 61.538 42.373-120.795 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.266 44.021-122.644 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.354 45.061-121.568 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.111 46.984-121.499 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.440 47.286-120.440 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.149 42.087-120.363 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.460 45.616-119.252 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.282 41.492-119.262 1.00 0.37 H new ATOM 0 HH2 TRP A 29 66.938 43.245-118.705 1.00 0.41 H new ATOM 229 N GLU A 30 59.439 44.370-119.207 1.00 0.45 N ATOM 230 CA GLU A 30 59.028 44.772-117.851 1.00 0.56 C ATOM 231 C GLU A 30 58.566 43.525-117.109 1.00 0.50 C ATOM 232 O GLU A 30 58.750 43.396-115.920 1.00 0.52 O ATOM 233 CB GLU A 30 57.864 45.759-117.970 1.00 0.68 C ATOM 234 CG GLU A 30 58.412 47.180-118.114 1.00 0.86 C ATOM 235 CD GLU A 30 57.253 48.157-118.324 1.00 1.53 C ATOM 236 OE1 GLU A 30 56.119 47.708-118.322 1.00 2.06 O ATOM 237 OE2 GLU A 30 57.520 49.337-118.481 1.00 2.33 O ATOM 0 H GLU A 30 58.938 44.829-119.968 1.00 0.45 H new ATOM 0 HA GLU A 30 59.852 45.242-117.314 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.246 45.507-118.832 1.00 0.68 H new ATOM 0 HB3 GLU A 30 57.225 45.692-117.090 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.976 47.455-117.223 1.00 0.86 H new ATOM 0 HG3 GLU A 30 59.102 47.231-118.957 1.00 0.86 H new ATOM 244 N LYS A 31 57.961 42.600-117.808 1.00 0.46 N ATOM 245 CA LYS A 31 57.488 41.356-117.145 1.00 0.45 C ATOM 246 C LYS A 31 58.658 40.719-116.405 1.00 0.43 C ATOM 247 O LYS A 31 58.574 40.436-115.226 1.00 0.46 O ATOM 248 CB LYS A 31 56.949 40.385-118.198 1.00 0.44 C ATOM 249 CG LYS A 31 56.112 39.302-117.515 1.00 0.91 C ATOM 250 CD LYS A 31 55.485 38.396-118.577 1.00 0.99 C ATOM 251 CE LYS A 31 54.563 39.222-119.477 1.00 1.36 C ATOM 252 NZ LYS A 31 53.900 40.285-118.669 1.00 2.08 N ATOM 0 H LYS A 31 57.776 42.655-118.809 1.00 0.46 H new ATOM 0 HA LYS A 31 56.690 41.591-116.440 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.342 40.923-118.927 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.775 39.930-118.745 1.00 0.44 H new ATOM 0 HG2 LYS A 31 56.737 38.714-116.843 1.00 0.91 H new ATOM 0 HG3 LYS A 31 55.332 39.760-116.906 1.00 0.91 H new ATOM 0 HD2 LYS A 31 56.266 37.924-119.174 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.921 37.595-118.099 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.136 39.671-120.288 1.00 1.36 H new ATOM 0 HE3 LYS A 31 53.813 38.578-119.936 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 53.049 40.618-119.165 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 53.631 39.899-117.741 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 54.557 41.080-118.536 1.00 2.08 H new ATOM 266 N ALA A 32 59.762 40.502-117.071 1.00 0.41 N ATOM 267 CA ALA A 32 60.918 39.899-116.360 1.00 0.41 C ATOM 268 C ALA A 32 61.304 40.822-115.217 1.00 0.41 C ATOM 269 O ALA A 32 61.342 40.412-114.073 1.00 0.42 O ATOM 270 CB ALA A 32 62.120 39.725-117.288 1.00 0.42 C ATOM 0 H ALA A 32 59.909 40.713-118.058 1.00 0.41 H new ATOM 0 HA ALA A 32 60.631 38.913-115.995 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.947 39.281-116.733 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.848 39.072-118.117 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.424 40.697-117.676 1.00 0.42 H new ATOM 276 N GLN A 33 61.591 42.073-115.487 1.00 0.43 N ATOM 277 CA GLN A 33 61.967 42.976-114.367 1.00 0.47 C ATOM 278 C GLN A 33 60.912 42.882-113.265 1.00 0.49 C ATOM 279 O GLN A 33 61.210 43.038-112.102 1.00 0.53 O ATOM 280 CB GLN A 33 62.053 44.416-114.881 1.00 0.51 C ATOM 281 CG GLN A 33 63.140 44.512-115.956 1.00 0.53 C ATOM 282 CD GLN A 33 63.048 45.870-116.655 1.00 0.75 C ATOM 283 OE1 GLN A 33 61.889 46.460-116.758 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 64.042 46.400-117.112 1.00 1.23 N flip ATOM 0 H GLN A 33 61.581 42.496-116.415 1.00 0.43 H new ATOM 0 HA GLN A 33 62.936 42.679-113.965 1.00 0.47 H new ATOM 0 HB2 GLN A 33 61.092 44.724-115.292 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.280 45.094-114.058 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.125 44.389-115.505 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.020 43.708-116.682 1.00 0.53 H new ATOM 0 HE21 GLN A 33 64.948 45.939-117.032 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.970 47.306-117.576 1.00 1.23 H new ATOM 293 N ARG A 34 59.683 42.616-113.620 1.00 0.49 N ATOM 294 CA ARG A 34 58.613 42.498-112.590 1.00 0.52 C ATOM 295 C ARG A 34 58.850 41.220-111.797 1.00 0.52 C ATOM 296 O ARG A 34 58.699 41.182-110.592 1.00 0.55 O ATOM 297 CB ARG A 34 57.247 42.430-113.271 1.00 0.56 C ATOM 298 CG ARG A 34 56.154 42.764-112.254 1.00 0.67 C ATOM 299 CD ARG A 34 54.881 41.983-112.586 1.00 1.59 C ATOM 300 NE ARG A 34 54.723 41.867-114.069 1.00 1.96 N ATOM 301 CZ ARG A 34 54.922 42.898-114.848 1.00 2.81 C ATOM 302 NH1 ARG A 34 55.180 44.070-114.339 1.00 3.42 N ATOM 303 NH2 ARG A 34 54.834 42.758-116.143 1.00 3.58 N ATOM 0 H ARG A 34 59.374 42.475-114.582 1.00 0.49 H new ATOM 0 HA ARG A 34 58.635 43.363-111.927 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.209 43.131-114.105 1.00 0.56 H new ATOM 0 HB3 ARG A 34 57.083 41.434-113.683 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.492 42.515-111.248 1.00 0.67 H new ATOM 0 HG3 ARG A 34 55.948 43.834-112.266 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.927 40.990-112.138 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.014 42.486-112.158 1.00 1.59 H new ATOM 0 HE ARG A 34 54.456 40.971-114.478 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.228 44.187-113.327 1.00 3.42 H new ATOM 0 HH12 ARG A 34 55.334 44.870-114.953 1.00 3.42 H new ATOM 0 HH21 ARG A 34 54.611 41.847-116.543 1.00 3.58 H new ATOM 0 HH22 ARG A 34 54.988 43.560-116.754 1.00 3.58 H new ATOM 317 N LEU A 35 59.273 40.188-112.466 1.00 0.50 N ATOM 318 CA LEU A 35 59.582 38.925-111.752 1.00 0.54 C ATOM 319 C LEU A 35 60.945 39.129-111.113 1.00 0.55 C ATOM 320 O LEU A 35 61.433 38.315-110.354 1.00 0.61 O ATOM 321 CB LEU A 35 59.644 37.761-112.741 1.00 0.57 C ATOM 322 CG LEU A 35 58.334 37.675-113.522 1.00 0.68 C ATOM 323 CD1 LEU A 35 58.423 36.537-114.539 1.00 1.20 C ATOM 324 CD2 LEU A 35 57.181 37.404-112.554 1.00 0.84 C ATOM 0 H LEU A 35 59.418 40.165-113.475 1.00 0.50 H new ATOM 0 HA LEU A 35 58.818 38.690-111.011 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.479 37.899-113.428 1.00 0.57 H new ATOM 0 HB3 LEU A 35 59.822 36.827-112.207 1.00 0.57 H new ATOM 0 HG LEU A 35 58.158 38.616-114.043 1.00 0.68 H new ATOM 0 HD11 LEU A 35 57.489 36.474-115.097 1.00 1.20 H new ATOM 0 HD12 LEU A 35 59.246 36.728-115.228 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.598 35.596-114.018 1.00 1.20 H new ATOM 0 HD21 LEU A 35 56.246 37.342-113.110 1.00 0.84 H new ATOM 0 HD22 LEU A 35 57.356 36.462-112.034 1.00 0.84 H new ATOM 0 HD23 LEU A 35 57.118 38.214-111.827 1.00 0.84 H new ATOM 336 N HIS A 36 61.557 40.235-111.437 1.00 0.53 N ATOM 337 CA HIS A 36 62.898 40.552-110.882 1.00 0.58 C ATOM 338 C HIS A 36 63.771 39.303-110.930 1.00 0.49 C ATOM 339 O HIS A 36 63.792 38.533-109.990 1.00 1.37 O ATOM 340 CB HIS A 36 62.763 40.992-109.422 1.00 0.98 C ATOM 341 CG HIS A 36 62.506 42.469-109.360 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.430 43.221-109.741 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 63.432 43.363-108.846 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 61.674 44.564-109.472 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.895 44.594-108.932 1.00 2.17 N flip ATOM 0 H HIS A 36 61.178 40.939-112.070 1.00 0.53 H new ATOM 0 HA HIS A 36 63.347 41.352-111.471 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.947 40.451-108.943 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.673 40.748-108.873 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.576 42.853-110.160 1.00 1.89 H new ATOM 0 HD2 HIS A 36 64.406 43.117-108.449 1.00 1.60 H new ATOM 0 HE1 HIS A 36 61.018 45.401-109.659 1.00 2.32 H new ATOM 353 N LEU A 37 64.509 39.077-111.986 1.00 0.59 N ATOM 354 CA LEU A 37 65.372 37.871-112.019 1.00 0.43 C ATOM 355 C LEU A 37 66.819 38.323-111.811 1.00 0.44 C ATOM 356 O LEU A 37 67.182 39.417-112.194 1.00 0.42 O ATOM 357 CB LEU A 37 65.254 37.188-113.385 1.00 0.53 C ATOM 358 CG LEU A 37 63.782 37.068-113.782 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.353 38.320-114.550 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.601 35.840-114.676 1.00 0.82 C ATOM 0 H LEU A 37 64.548 39.670-112.815 1.00 0.59 H new ATOM 0 HA LEU A 37 65.068 37.169-111.242 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.797 37.762-114.136 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.711 36.199-113.348 1.00 0.53 H new ATOM 0 HG LEU A 37 63.171 36.966-112.885 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.304 38.232-114.832 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.487 39.198-113.918 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.962 38.423-115.448 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.553 35.750-114.962 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.214 35.948-115.571 1.00 0.82 H new ATOM 0 HD23 LEU A 37 63.907 34.946-114.133 1.00 0.82 H new ATOM 372 N PRO A 38 67.651 37.503-111.227 1.00 0.57 N ATOM 373 CA PRO A 38 69.067 37.889-111.015 1.00 0.66 C ATOM 374 C PRO A 38 69.669 38.466-112.294 1.00 0.58 C ATOM 375 O PRO A 38 69.354 38.019-113.371 1.00 0.52 O ATOM 376 CB PRO A 38 69.719 36.554-110.655 1.00 0.81 C ATOM 377 CG PRO A 38 68.606 35.532-110.370 1.00 0.82 C ATOM 378 CD PRO A 38 67.254 36.155-110.752 1.00 0.69 C ATOM 0 HA PRO A 38 69.204 38.659-110.256 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.351 36.208-111.473 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.361 36.669-109.782 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.776 34.619-110.941 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.609 35.254-109.316 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.747 35.583-111.529 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.575 36.207-109.901 1.00 0.69 H new ATOM 386 N PRO A 39 70.514 39.450-112.187 1.00 0.62 N ATOM 387 CA PRO A 39 71.129 40.064-113.392 1.00 0.60 C ATOM 388 C PRO A 39 71.710 39.009-114.338 1.00 0.53 C ATOM 389 O PRO A 39 71.496 39.034-115.525 1.00 0.51 O ATOM 390 CB PRO A 39 72.235 40.933-112.788 1.00 0.74 C ATOM 391 CG PRO A 39 72.067 40.953-111.261 1.00 0.81 C ATOM 392 CD PRO A 39 70.923 40.008-110.876 1.00 0.74 C ATOM 0 HA PRO A 39 70.416 40.618-114.002 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.215 40.537-113.055 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.180 41.946-113.187 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.992 40.642-110.776 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.852 41.965-110.918 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.254 39.229-110.189 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.105 40.538-110.388 1.00 0.74 H new ATOM 400 N VAL A 40 72.474 38.113-113.804 1.00 0.52 N ATOM 401 CA VAL A 40 73.121 37.062-114.639 1.00 0.47 C ATOM 402 C VAL A 40 72.071 36.387-115.525 1.00 0.41 C ATOM 403 O VAL A 40 72.195 36.320-116.743 1.00 0.37 O ATOM 404 CB VAL A 40 73.759 36.018-113.716 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.716 34.982-113.297 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.909 35.323-114.448 1.00 0.50 C ATOM 0 H VAL A 40 72.686 38.057-112.808 1.00 0.52 H new ATOM 0 HA VAL A 40 73.884 37.514-115.272 1.00 0.47 H new ATOM 0 HB VAL A 40 74.142 36.516-112.825 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.179 34.244-112.641 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.902 35.478-112.768 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.322 34.484-114.183 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.362 34.581-113.791 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.527 34.831-115.342 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.658 36.062-114.733 1.00 0.50 H new ATOM 416 N ARG A 41 71.019 35.920-114.933 1.00 0.42 N ATOM 417 CA ARG A 41 69.948 35.271-115.727 1.00 0.40 C ATOM 418 C ARG A 41 69.139 36.362-116.407 1.00 0.34 C ATOM 419 O ARG A 41 68.476 36.138-117.402 1.00 0.30 O ATOM 420 CB ARG A 41 69.040 34.459-114.799 1.00 0.46 C ATOM 421 CG ARG A 41 69.288 32.963-115.006 1.00 0.87 C ATOM 422 CD ARG A 41 68.251 32.404-115.982 1.00 1.00 C ATOM 423 NE ARG A 41 68.676 31.052-116.439 1.00 1.53 N ATOM 424 CZ ARG A 41 67.818 30.263-117.027 1.00 2.18 C ATOM 425 NH1 ARG A 41 66.588 30.658-117.211 1.00 2.54 N ATOM 426 NH2 ARG A 41 68.190 29.078-117.430 1.00 3.12 N ATOM 0 H ARG A 41 70.851 35.959-113.928 1.00 0.42 H new ATOM 0 HA ARG A 41 70.380 34.601-116.470 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.233 34.728-113.760 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.995 34.695-115.001 1.00 0.46 H new ATOM 0 HG2 ARG A 41 70.293 32.801-115.395 1.00 0.87 H new ATOM 0 HG3 ARG A 41 69.226 32.438-114.053 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.276 32.346-115.499 1.00 1.00 H new ATOM 0 HD3 ARG A 41 68.144 33.071-116.837 1.00 1.00 H new ATOM 0 HE ARG A 41 69.637 30.743-116.293 1.00 1.53 H new ATOM 0 HH11 ARG A 41 66.297 31.583-116.895 1.00 2.54 H new ATOM 0 HH12 ARG A 41 65.918 30.042-117.670 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.151 28.769-117.285 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.519 28.462-117.889 1.00 3.12 H new ATOM 440 N LEU A 42 69.198 37.552-115.880 1.00 0.35 N ATOM 441 CA LEU A 42 68.439 38.660-116.503 1.00 0.30 C ATOM 442 C LEU A 42 69.186 39.113-117.742 1.00 0.31 C ATOM 443 O LEU A 42 68.609 39.668-118.649 1.00 0.49 O ATOM 444 CB LEU A 42 68.292 39.830-115.538 1.00 0.32 C ATOM 445 CG LEU A 42 67.061 40.640-115.943 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.840 40.143-115.170 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.297 42.119-115.636 1.00 0.60 C ATOM 0 H LEU A 42 69.736 37.801-115.050 1.00 0.35 H new ATOM 0 HA LEU A 42 67.440 38.310-116.763 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.187 39.467-114.516 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.183 40.457-115.564 1.00 0.32 H new ATOM 0 HG LEU A 42 66.884 40.517-117.011 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.964 40.723-115.461 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.670 39.090-115.396 1.00 0.43 H new ATOM 0 HD13 LEU A 42 66.014 40.261-114.100 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.418 42.695-115.925 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.478 42.245-114.569 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.163 42.473-116.195 1.00 0.60 H new ATOM 459 N ALA A 43 70.459 38.837-117.819 1.00 0.30 N ATOM 460 CA ALA A 43 71.223 39.201-119.028 1.00 0.30 C ATOM 461 C ALA A 43 71.018 38.051-119.995 1.00 0.29 C ATOM 462 O ALA A 43 70.971 38.210-121.189 1.00 0.28 O ATOM 463 CB ALA A 43 72.705 39.339-118.675 1.00 0.36 C ATOM 0 H ALA A 43 70.999 38.372-117.089 1.00 0.30 H new ATOM 0 HA ALA A 43 70.896 40.149-119.455 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.268 39.608-119.569 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.829 40.116-117.921 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.076 38.392-118.284 1.00 0.36 H new ATOM 469 N GLU A 44 70.852 36.887-119.451 1.00 0.30 N ATOM 470 CA GLU A 44 70.587 35.730-120.339 1.00 0.32 C ATOM 471 C GLU A 44 69.301 36.071-121.104 1.00 0.30 C ATOM 472 O GLU A 44 69.294 36.212-122.310 1.00 0.34 O ATOM 473 CB GLU A 44 70.394 34.456-119.513 1.00 0.37 C ATOM 474 CG GLU A 44 71.747 33.982-118.979 1.00 1.15 C ATOM 475 CD GLU A 44 72.574 33.403-120.127 1.00 2.05 C ATOM 476 OE1 GLU A 44 71.987 32.794-121.005 1.00 2.80 O ATOM 477 OE2 GLU A 44 73.782 33.578-120.108 1.00 2.92 O ATOM 0 H GLU A 44 70.887 36.686-118.452 1.00 0.30 H new ATOM 0 HA GLU A 44 71.420 35.549-121.018 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.711 34.647-118.685 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.941 33.678-120.127 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.279 34.814-118.517 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.601 33.228-118.206 1.00 1.15 H new ATOM 484 N LEU A 45 68.217 36.217-120.391 1.00 0.28 N ATOM 485 CA LEU A 45 66.912 36.566-121.038 1.00 0.29 C ATOM 486 C LEU A 45 66.996 37.971-121.659 1.00 0.24 C ATOM 487 O LEU A 45 66.698 38.172-122.813 1.00 0.25 O ATOM 488 CB LEU A 45 65.809 36.559-119.974 1.00 0.34 C ATOM 489 CG LEU A 45 64.475 36.952-120.613 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.608 35.705-120.798 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.749 37.944-119.702 1.00 0.77 C ATOM 0 H LEU A 45 68.176 36.109-119.378 1.00 0.28 H new ATOM 0 HA LEU A 45 66.690 35.837-121.817 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.730 35.569-119.524 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.059 37.255-119.173 1.00 0.34 H new ATOM 0 HG LEU A 45 64.659 37.413-121.583 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.658 35.986-121.253 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.124 34.996-121.445 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.423 35.243-119.828 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.798 38.226-120.155 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.566 37.481-118.732 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.365 38.833-119.569 1.00 0.77 H new ATOM 503 N HIS A 46 67.385 38.935-120.880 1.00 0.21 N ATOM 504 CA HIS A 46 67.473 40.328-121.423 1.00 0.20 C ATOM 505 C HIS A 46 68.322 40.302-122.701 1.00 0.19 C ATOM 506 O HIS A 46 67.930 40.804-123.737 1.00 0.21 O ATOM 507 CB HIS A 46 68.108 41.279-120.408 1.00 0.23 C ATOM 508 CG HIS A 46 68.130 42.670-120.983 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.141 43.466-121.515 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.297 43.415-121.065 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.685 44.680-121.920 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.986 44.598-121.627 1.00 0.31 N flip ATOM 0 H HIS A 46 67.645 38.829-119.899 1.00 0.21 H new ATOM 0 HA HIS A 46 66.467 40.688-121.637 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.543 41.266-119.476 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.121 40.954-120.171 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.159 43.205-121.599 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.278 43.103-120.737 1.00 0.27 H new ATOM 0 HE1 HIS A 46 67.167 45.511-122.374 1.00 0.35 H new ATOM 520 N ALA A 47 69.485 39.718-122.624 1.00 0.19 N ATOM 521 CA ALA A 47 70.390 39.644-123.811 1.00 0.22 C ATOM 522 C ALA A 47 69.685 38.946-124.972 1.00 0.21 C ATOM 523 O ALA A 47 69.524 39.505-126.039 1.00 0.22 O ATOM 524 CB ALA A 47 71.639 38.838-123.438 1.00 0.27 C ATOM 0 H ALA A 47 69.854 39.282-121.779 1.00 0.19 H new ATOM 0 HA ALA A 47 70.663 40.655-124.112 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.305 38.779-124.299 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.155 39.328-122.613 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.346 37.832-123.136 1.00 0.27 H new ATOM 530 N ASP A 48 69.265 37.732-124.773 1.00 0.22 N ATOM 531 CA ASP A 48 68.573 36.996-125.870 1.00 0.25 C ATOM 532 C ASP A 48 67.400 37.838-126.361 1.00 0.22 C ATOM 533 O ASP A 48 67.226 38.059-127.542 1.00 0.25 O ATOM 534 CB ASP A 48 68.060 35.654-125.345 1.00 0.28 C ATOM 535 CG ASP A 48 69.246 34.772-124.949 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.369 35.227-125.088 1.00 0.94 O ATOM 537 OD2 ASP A 48 69.010 33.657-124.513 1.00 0.84 O ATOM 0 H ASP A 48 69.369 37.215-123.900 1.00 0.22 H new ATOM 0 HA ASP A 48 69.267 36.814-126.690 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.409 35.813-124.485 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.463 35.157-126.110 1.00 0.28 H new ATOM 542 N LEU A 49 66.605 38.320-125.455 1.00 0.19 N ATOM 543 CA LEU A 49 65.453 39.164-125.854 1.00 0.19 C ATOM 544 C LEU A 49 65.964 40.247-126.798 1.00 0.18 C ATOM 545 O LEU A 49 65.331 40.576-127.780 1.00 0.19 O ATOM 546 CB LEU A 49 64.819 39.798-124.615 1.00 0.18 C ATOM 547 CG LEU A 49 63.891 38.780-123.949 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.270 39.395-122.695 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.781 38.388-124.927 1.00 0.89 C ATOM 0 H LEU A 49 66.704 38.165-124.452 1.00 0.19 H new ATOM 0 HA LEU A 49 64.695 38.560-126.354 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.594 40.114-123.916 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.259 40.690-124.894 1.00 0.18 H new ATOM 0 HG LEU A 49 64.464 37.895-123.672 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.609 38.668-122.222 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.060 39.675-121.998 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.697 40.281-122.970 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.119 37.663-124.454 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.210 39.274-125.204 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.223 37.947-125.821 1.00 0.89 H new ATOM 561 N LYS A 50 67.123 40.789-126.526 1.00 0.20 N ATOM 562 CA LYS A 50 67.677 41.827-127.437 1.00 0.21 C ATOM 563 C LYS A 50 68.028 41.157-128.762 1.00 0.23 C ATOM 564 O LYS A 50 67.542 41.535-129.807 1.00 0.24 O ATOM 565 CB LYS A 50 68.934 42.448-126.822 1.00 0.24 C ATOM 566 CG LYS A 50 68.610 42.994-125.430 1.00 0.36 C ATOM 567 CD LYS A 50 68.364 44.501-125.519 1.00 0.84 C ATOM 568 CE LYS A 50 69.691 45.246-125.354 1.00 1.09 C ATOM 569 NZ LYS A 50 70.735 44.589-126.191 1.00 1.84 N ATOM 0 H LYS A 50 67.703 40.559-125.719 1.00 0.20 H new ATOM 0 HA LYS A 50 66.943 42.617-127.594 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.725 41.701-126.755 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.305 43.250-127.461 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.729 42.494-125.027 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.434 42.789-124.746 1.00 0.36 H new ATOM 0 HD2 LYS A 50 67.912 44.750-126.479 1.00 0.84 H new ATOM 0 HD3 LYS A 50 67.662 44.812-124.746 1.00 0.84 H new ATOM 0 HE2 LYS A 50 69.575 46.289-125.650 1.00 1.09 H new ATOM 0 HE3 LYS A 50 69.994 45.244-124.307 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.598 45.169-126.188 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.949 43.648-125.804 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.387 44.491-127.166 1.00 1.84 H new ATOM 583 N ILE A 51 68.859 40.153-128.728 1.00 0.25 N ATOM 584 CA ILE A 51 69.210 39.466-129.999 1.00 0.27 C ATOM 585 C ILE A 51 67.911 39.271-130.771 1.00 0.26 C ATOM 586 O ILE A 51 67.736 39.778-131.868 1.00 0.25 O ATOM 587 CB ILE A 51 69.844 38.106-129.703 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.339 38.291-129.435 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.654 37.179-130.905 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.527 39.244-128.257 1.00 0.30 C ATOM 0 H ILE A 51 69.304 39.783-127.888 1.00 0.25 H new ATOM 0 HA ILE A 51 69.925 40.055-130.574 1.00 0.27 H new ATOM 0 HB ILE A 51 69.367 37.666-128.827 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.803 37.329-129.217 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.833 38.689-130.322 1.00 0.36 H new ATOM 0 HG21 ILE A 51 70.106 36.210-130.693 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.589 37.048-131.099 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.131 37.618-131.782 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.591 39.378-128.064 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.077 40.208-128.494 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.047 38.827-127.372 1.00 0.30 H new ATOM 602 N GLN A 52 66.977 38.569-130.193 1.00 0.26 N ATOM 603 CA GLN A 52 65.678 38.380-130.874 1.00 0.27 C ATOM 604 C GLN A 52 65.113 39.762-131.190 1.00 0.24 C ATOM 605 O GLN A 52 64.351 39.931-132.110 1.00 0.26 O ATOM 606 CB GLN A 52 64.719 37.625-129.954 1.00 0.32 C ATOM 607 CG GLN A 52 63.663 36.910-130.797 1.00 0.45 C ATOM 608 CD GLN A 52 64.250 35.607-131.339 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.229 35.379-132.624 1.00 1.00 O flip ATOM 610 NE2 GLN A 52 64.735 34.786-130.585 1.00 0.48 N flip ATOM 0 H GLN A 52 67.062 38.121-129.281 1.00 0.26 H new ATOM 0 HA GLN A 52 65.806 37.803-131.790 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.269 36.902-129.351 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.240 38.318-129.262 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.779 36.702-130.194 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.344 37.549-131.620 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.752 34.963-129.581 1.00 0.48 H new ATOM 0 HE22 GLN A 52 65.125 33.920-130.957 1.00 0.48 H new ATOM 619 N GLU A 53 65.478 40.753-130.417 1.00 0.23 N ATOM 620 CA GLU A 53 64.954 42.119-130.686 1.00 0.23 C ATOM 621 C GLU A 53 65.599 42.672-131.956 1.00 0.20 C ATOM 622 O GLU A 53 64.988 43.425-132.682 1.00 0.21 O ATOM 623 CB GLU A 53 65.253 43.063-129.529 1.00 0.25 C ATOM 624 CG GLU A 53 64.500 44.370-129.771 1.00 0.28 C ATOM 625 CD GLU A 53 64.931 45.413-128.739 1.00 0.33 C ATOM 626 OE1 GLU A 53 65.123 45.039-127.593 1.00 1.09 O ATOM 627 OE2 GLU A 53 65.065 46.567-129.112 1.00 1.04 O ATOM 0 H GLU A 53 66.110 40.674-129.620 1.00 0.23 H new ATOM 0 HA GLU A 53 63.873 42.048-130.808 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.944 42.616-128.584 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.325 43.249-129.458 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.702 44.736-130.778 1.00 0.28 H new ATOM 0 HG3 GLU A 53 63.426 44.200-129.703 1.00 0.28 H new ATOM 634 N ARG A 54 66.823 42.314-132.243 1.00 0.22 N ATOM 635 CA ARG A 54 67.469 42.828-133.482 1.00 0.22 C ATOM 636 C ARG A 54 66.885 42.073-134.667 1.00 0.20 C ATOM 637 O ARG A 54 66.718 42.601-135.749 1.00 0.21 O ATOM 638 CB ARG A 54 68.970 42.563-133.414 1.00 0.24 C ATOM 639 CG ARG A 54 69.627 43.589-132.493 1.00 0.27 C ATOM 640 CD ARG A 54 70.505 44.532-133.318 1.00 0.85 C ATOM 641 NE ARG A 54 71.037 45.611-132.438 1.00 1.55 N ATOM 642 CZ ARG A 54 72.031 46.353-132.844 1.00 2.09 C ATOM 643 NH1 ARG A 54 72.557 46.152-134.021 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.498 47.297-132.073 1.00 3.03 N ATOM 0 H ARG A 54 67.399 41.692-131.676 1.00 0.22 H new ATOM 0 HA ARG A 54 67.294 43.899-133.585 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.156 41.555-133.044 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.406 42.622-134.411 1.00 0.24 H new ATOM 0 HG2 ARG A 54 68.863 44.158-131.962 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.229 43.082-131.738 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.328 43.978-133.770 1.00 0.85 H new ATOM 0 HD3 ARG A 54 69.926 44.965-134.134 1.00 0.85 H new ATOM 0 HE ARG A 54 70.624 45.769-131.519 1.00 1.55 H new ATOM 0 HH11 ARG A 54 72.191 45.415-134.624 1.00 2.40 H new ATOM 0 HH12 ARG A 54 73.334 46.732-134.338 1.00 2.40 H new ATOM 0 HH21 ARG A 54 72.086 47.455-131.153 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.275 47.877-132.390 1.00 3.03 H new ATOM 658 N ASP A 55 66.547 40.840-134.442 1.00 0.20 N ATOM 659 CA ASP A 55 65.933 40.023-135.528 1.00 0.21 C ATOM 660 C ASP A 55 64.462 40.423-135.652 1.00 0.21 C ATOM 661 O ASP A 55 63.922 40.582-136.736 1.00 0.20 O ATOM 662 CB ASP A 55 66.034 38.537-135.174 1.00 0.25 C ATOM 663 CG ASP A 55 67.506 38.122-135.127 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.319 38.827-135.701 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.795 37.105-134.518 1.00 0.94 O ATOM 0 H ASP A 55 66.668 40.357-133.552 1.00 0.20 H new ATOM 0 HA ASP A 55 66.452 40.196-136.471 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.561 38.349-134.210 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.500 37.939-135.913 1.00 0.25 H new ATOM 670 N GLU A 56 63.823 40.650-134.540 1.00 0.27 N ATOM 671 CA GLU A 56 62.410 41.088-134.570 1.00 0.32 C ATOM 672 C GLU A 56 62.394 42.486-135.150 1.00 0.30 C ATOM 673 O GLU A 56 61.613 42.799-136.017 1.00 0.31 O ATOM 674 CB GLU A 56 61.839 41.108-133.150 1.00 0.39 C ATOM 675 CG GLU A 56 61.690 39.674-132.638 1.00 0.44 C ATOM 676 CD GLU A 56 61.673 39.677-131.107 1.00 0.89 C ATOM 677 OE1 GLU A 56 62.742 39.659-130.522 1.00 1.72 O ATOM 678 OE2 GLU A 56 60.589 39.698-130.548 1.00 1.39 O ATOM 0 H GLU A 56 64.225 40.549-133.608 1.00 0.27 H new ATOM 0 HA GLU A 56 61.804 40.408-135.169 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.497 41.674-132.490 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.872 41.610-133.143 1.00 0.39 H new ATOM 0 HG2 GLU A 56 60.770 39.234-133.022 1.00 0.44 H new ATOM 0 HG3 GLU A 56 62.513 39.059-133.002 1.00 0.44 H new ATOM 685 N LEU A 57 63.281 43.322-134.694 1.00 0.30 N ATOM 686 CA LEU A 57 63.354 44.696-135.240 1.00 0.32 C ATOM 687 C LEU A 57 63.562 44.614-136.747 1.00 0.28 C ATOM 688 O LEU A 57 62.876 45.258-137.519 1.00 0.29 O ATOM 689 CB LEU A 57 64.549 45.432-134.629 1.00 0.36 C ATOM 690 CG LEU A 57 64.142 46.104-133.323 1.00 0.50 C ATOM 691 CD1 LEU A 57 65.390 46.356-132.474 1.00 1.08 C ATOM 692 CD2 LEU A 57 63.472 47.439-133.639 1.00 1.22 C ATOM 0 H LEU A 57 63.960 43.109-133.963 1.00 0.30 H new ATOM 0 HA LEU A 57 62.432 45.228-135.005 1.00 0.32 H new ATOM 0 HB2 LEU A 57 65.363 44.730-134.447 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.922 46.179-135.330 1.00 0.36 H new ATOM 0 HG LEU A 57 63.451 45.462-132.777 1.00 0.50 H new ATOM 0 HD11 LEU A 57 65.103 46.837-131.539 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.881 45.407-132.258 1.00 1.08 H new ATOM 0 HD13 LEU A 57 66.076 47.004-133.019 1.00 1.08 H new ATOM 0 HD21 LEU A 57 63.177 47.927-132.710 1.00 1.22 H new ATOM 0 HD22 LEU A 57 64.171 48.078-134.179 1.00 1.22 H new ATOM 0 HD23 LEU A 57 62.589 47.266-134.254 1.00 1.22 H new ATOM 704 N ALA A 58 64.486 43.800-137.184 1.00 0.25 N ATOM 705 CA ALA A 58 64.705 43.667-138.641 1.00 0.24 C ATOM 706 C ALA A 58 63.415 43.150-139.252 1.00 0.21 C ATOM 707 O ALA A 58 63.115 43.384-140.407 1.00 0.21 O ATOM 708 CB ALA A 58 65.838 42.672-138.907 1.00 0.24 C ATOM 0 H ALA A 58 65.091 43.228-136.595 1.00 0.25 H new ATOM 0 HA ALA A 58 64.980 44.627-139.077 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.995 42.578-139.982 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.754 43.029-138.436 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.573 41.699-138.493 1.00 0.24 H new ATOM 714 N TRP A 59 62.607 42.498-138.461 1.00 0.19 N ATOM 715 CA TRP A 59 61.315 42.026-139.003 1.00 0.18 C ATOM 716 C TRP A 59 60.336 43.199-139.039 1.00 0.20 C ATOM 717 O TRP A 59 59.714 43.465-140.048 1.00 0.30 O ATOM 718 CB TRP A 59 60.733 40.903-138.154 1.00 0.19 C ATOM 719 CG TRP A 59 59.490 40.445-138.832 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.443 39.528-139.820 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.128 40.891-138.615 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.135 39.388-140.240 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.281 40.207-139.516 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.552 41.815-137.728 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.905 40.436-139.537 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.172 42.048-137.743 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.349 41.361-138.644 1.00 0.39 C ATOM 0 H TRP A 59 62.786 42.278-137.481 1.00 0.19 H new ATOM 0 HA TRP A 59 61.481 41.636-140.007 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.445 40.083-138.059 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.515 41.255-137.146 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.291 38.990-140.218 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.835 38.762-140.987 1.00 0.30 H new ATOM 0 HE3 TRP A 59 58.178 42.350-137.029 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.275 39.905-140.235 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.740 42.761-137.056 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.285 41.545-138.650 1.00 0.39 H new ATOM 738 N LYS A 60 60.202 43.921-137.956 1.00 0.27 N ATOM 739 CA LYS A 60 59.273 45.074-137.988 1.00 0.30 C ATOM 740 C LYS A 60 59.655 45.883-139.224 1.00 0.29 C ATOM 741 O LYS A 60 58.837 46.527-139.858 1.00 0.31 O ATOM 742 CB LYS A 60 59.418 45.923-136.717 1.00 0.38 C ATOM 743 CG LYS A 60 60.568 46.920-136.875 1.00 0.42 C ATOM 744 CD LYS A 60 60.016 48.263-137.357 1.00 1.08 C ATOM 745 CE LYS A 60 59.380 49.007-136.180 1.00 1.53 C ATOM 746 NZ LYS A 60 60.330 50.040-135.676 1.00 2.27 N ATOM 0 H LYS A 60 60.687 43.762-137.073 1.00 0.27 H new ATOM 0 HA LYS A 60 58.234 44.748-138.030 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.489 46.457-136.520 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.603 45.277-135.859 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.086 47.048-135.924 1.00 0.42 H new ATOM 0 HG3 LYS A 60 61.299 46.538-137.588 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.817 48.863-137.790 1.00 1.08 H new ATOM 0 HD3 LYS A 60 59.277 48.104-138.142 1.00 1.08 H new ATOM 0 HE2 LYS A 60 58.448 49.477-136.493 1.00 1.53 H new ATOM 0 HE3 LYS A 60 59.132 48.306-135.383 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 59.900 50.547-134.876 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 61.208 49.580-135.362 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.545 50.715-136.438 1.00 2.27 H new ATOM 760 N LYS A 61 60.903 45.786-139.608 1.00 0.28 N ATOM 761 CA LYS A 61 61.362 46.487-140.833 1.00 0.30 C ATOM 762 C LYS A 61 61.038 45.602-142.036 1.00 0.27 C ATOM 763 O LYS A 61 60.801 46.086-143.127 1.00 0.35 O ATOM 764 CB LYS A 61 62.869 46.735-140.770 1.00 0.35 C ATOM 765 CG LYS A 61 63.218 47.469-139.474 1.00 0.40 C ATOM 766 CD LYS A 61 64.127 48.660-139.788 1.00 0.77 C ATOM 767 CE LYS A 61 64.698 49.225-138.487 1.00 1.42 C ATOM 768 NZ LYS A 61 65.950 49.978-138.780 1.00 2.43 N ATOM 0 H LYS A 61 61.621 45.249-139.121 1.00 0.28 H new ATOM 0 HA LYS A 61 60.859 47.450-140.919 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.405 45.787-140.818 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.186 47.325-141.630 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.308 47.813-138.982 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.717 46.790-138.783 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.937 48.349-140.448 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.565 49.431-140.315 1.00 0.77 H new ATOM 0 HE2 LYS A 61 63.969 49.881-138.012 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.903 48.416-137.786 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.339 50.363-137.895 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.646 49.339-139.215 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.740 50.759-139.434 1.00 2.43 H new ATOM 782 N LEU A 62 60.976 44.303-141.842 1.00 0.24 N ATOM 783 CA LEU A 62 60.614 43.412-142.979 1.00 0.24 C ATOM 784 C LEU A 62 59.178 43.724-143.374 1.00 0.24 C ATOM 785 O LEU A 62 58.900 44.158-144.474 1.00 0.26 O ATOM 786 CB LEU A 62 60.674 41.941-142.550 1.00 0.24 C ATOM 787 CG LEU A 62 62.122 41.462-142.436 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.136 40.037-141.880 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.773 41.460-143.816 1.00 0.41 C ATOM 0 H LEU A 62 61.159 43.832-140.956 1.00 0.24 H new ATOM 0 HA LEU A 62 61.309 43.576-143.802 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.170 41.817-141.592 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.139 41.325-143.273 1.00 0.24 H new ATOM 0 HG LEU A 62 62.672 42.130-141.773 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.166 39.689-141.796 1.00 0.24 H new ATOM 0 HD12 LEU A 62 61.668 40.026-140.896 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.584 39.379-142.551 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.805 41.118-143.731 1.00 0.41 H new ATOM 0 HD22 LEU A 62 62.222 40.791-144.477 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.758 42.469-144.227 1.00 0.41 H new ATOM 801 N LYS A 63 58.257 43.498-142.474 1.00 0.24 N ATOM 802 CA LYS A 63 56.836 43.774-142.791 1.00 0.26 C ATOM 803 C LYS A 63 56.687 45.252-143.155 1.00 0.29 C ATOM 804 O LYS A 63 55.946 45.596-144.053 1.00 0.30 O ATOM 805 CB LYS A 63 55.948 43.436-141.589 1.00 0.34 C ATOM 806 CG LYS A 63 55.905 44.620-140.623 1.00 0.46 C ATOM 807 CD LYS A 63 54.937 44.314-139.480 1.00 0.41 C ATOM 808 CE LYS A 63 53.906 45.440-139.367 1.00 0.58 C ATOM 809 NZ LYS A 63 52.959 45.135-138.259 1.00 1.20 N ATOM 0 H LYS A 63 58.432 43.135-141.537 1.00 0.24 H new ATOM 0 HA LYS A 63 56.524 43.155-143.632 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.940 43.195-141.927 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.333 42.553-141.079 1.00 0.34 H new ATOM 0 HG2 LYS A 63 56.901 44.815-140.227 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.589 45.521-141.149 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.435 43.364-139.660 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.485 44.213-138.543 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.407 46.390-139.180 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.362 45.546-140.306 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.258 45.899-138.181 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 52.472 44.237-138.456 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 53.485 45.055-137.365 1.00 1.20 H new ATOM 823 N LEU A 64 57.394 46.142-142.489 1.00 0.33 N ATOM 824 CA LEU A 64 57.278 47.583-142.849 1.00 0.43 C ATOM 825 C LEU A 64 57.634 47.780-144.319 1.00 0.52 C ATOM 826 O LEU A 64 57.037 48.583-145.007 1.00 0.75 O ATOM 827 CB LEU A 64 58.244 48.408-141.986 1.00 0.38 C ATOM 828 CG LEU A 64 57.572 48.849-140.679 1.00 0.50 C ATOM 829 CD1 LEU A 64 56.869 50.189-140.895 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.547 47.808-140.233 1.00 1.23 C ATOM 0 H LEU A 64 58.035 45.930-141.724 1.00 0.33 H new ATOM 0 HA LEU A 64 56.253 47.911-142.674 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.132 47.817-141.761 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.576 49.284-142.542 1.00 0.38 H new ATOM 0 HG LEU A 64 58.335 48.951-139.907 1.00 0.50 H new ATOM 0 HD11 LEU A 64 56.391 50.503-139.967 1.00 1.10 H new ATOM 0 HD12 LEU A 64 57.600 50.939-141.199 1.00 1.10 H new ATOM 0 HD13 LEU A 64 56.114 50.082-141.674 1.00 1.10 H new ATOM 0 HD21 LEU A 64 56.078 48.134-139.305 1.00 1.23 H new ATOM 0 HD22 LEU A 64 55.785 47.694-141.004 1.00 1.23 H new ATOM 0 HD23 LEU A 64 57.046 46.852-140.072 1.00 1.23 H new ATOM 842 N ASP A 65 58.614 47.073-144.809 1.00 0.45 N ATOM 843 CA ASP A 65 59.009 47.250-146.233 1.00 0.60 C ATOM 844 C ASP A 65 58.360 46.179-147.115 1.00 0.96 C ATOM 845 O ASP A 65 58.546 46.171-148.316 1.00 0.98 O ATOM 846 CB ASP A 65 60.531 47.148-146.351 1.00 0.53 C ATOM 847 CG ASP A 65 61.171 48.433-145.822 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.448 49.397-145.631 1.00 1.31 O ATOM 849 OD2 ASP A 65 62.375 48.431-145.617 1.00 1.14 O ATOM 0 H ASP A 65 59.156 46.384-144.288 1.00 0.45 H new ATOM 0 HA ASP A 65 58.670 48.230-146.569 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.893 46.289-145.786 1.00 0.53 H new ATOM 0 HB3 ASP A 65 60.816 46.989-147.391 1.00 0.53 H new ATOM 854 N GLY A 66 57.597 45.274-146.555 1.00 1.30 N ATOM 855 CA GLY A 66 56.957 44.232-147.410 1.00 1.72 C ATOM 856 C GLY A 66 58.012 43.226-147.874 1.00 0.91 C ATOM 857 O GLY A 66 58.286 43.104-149.052 1.00 1.14 O ATOM 0 H GLY A 66 57.392 45.212-145.558 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.174 43.720-146.851 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.481 44.698-148.273 1.00 1.72 H new ATOM 861 N LEU A 67 58.613 42.505-146.964 1.00 0.37 N ATOM 862 CA LEU A 67 59.650 41.519-147.374 1.00 1.03 C ATOM 863 C LEU A 67 59.174 40.095-147.084 1.00 0.91 C ATOM 864 O LEU A 67 59.565 39.156-147.747 1.00 1.09 O ATOM 865 CB LEU A 67 60.938 41.793-146.608 1.00 1.69 C ATOM 866 CG LEU A 67 61.762 42.835-147.360 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.062 43.096-146.601 1.00 2.52 C ATOM 868 CD2 LEU A 67 62.083 42.310-148.760 1.00 2.68 C ATOM 0 H LEU A 67 58.431 42.557-145.962 1.00 0.37 H new ATOM 0 HA LEU A 67 59.830 41.617-148.445 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.708 42.150-145.604 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.510 40.872-146.496 1.00 1.69 H new ATOM 0 HG LEU A 67 61.196 43.763-147.440 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.653 43.840-147.136 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.832 43.465-145.602 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.630 42.169-146.523 1.00 2.52 H new ATOM 0 HD21 LEU A 67 62.671 43.051-149.301 1.00 2.68 H new ATOM 0 HD22 LEU A 67 62.652 41.384-148.680 1.00 2.68 H new ATOM 0 HD23 LEU A 67 61.155 42.120-149.299 1.00 2.68 H new ATOM 880 N ASP A 68 58.310 39.924-146.124 1.00 0.69 N ATOM 881 CA ASP A 68 57.781 38.565-145.815 1.00 0.59 C ATOM 882 C ASP A 68 56.320 38.513-146.283 1.00 0.59 C ATOM 883 O ASP A 68 55.516 39.338-145.893 1.00 0.59 O ATOM 884 CB ASP A 68 57.874 38.324-144.302 1.00 0.53 C ATOM 885 CG ASP A 68 57.721 36.831-144.018 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.553 36.081-144.966 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.791 36.461-142.860 1.00 0.97 O ATOM 0 H ASP A 68 57.944 40.672-145.535 1.00 0.69 H new ATOM 0 HA ASP A 68 58.357 37.791-146.323 1.00 0.59 H new ATOM 0 HB2 ASP A 68 58.832 38.682-143.923 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.097 38.886-143.784 1.00 0.53 H new ATOM 892 N GLU A 69 55.956 37.572-147.122 1.00 0.63 N ATOM 893 CA GLU A 69 54.542 37.511-147.606 1.00 0.69 C ATOM 894 C GLU A 69 53.695 36.674-146.646 1.00 0.71 C ATOM 895 O GLU A 69 52.482 36.669-146.713 1.00 0.77 O ATOM 896 CB GLU A 69 54.509 36.874-148.996 1.00 0.73 C ATOM 897 CG GLU A 69 54.870 35.392-148.887 1.00 0.75 C ATOM 898 CD GLU A 69 54.988 34.790-150.288 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.959 34.586-150.912 1.00 2.06 O ATOM 900 OE2 GLU A 69 56.105 34.542-150.713 1.00 1.82 O ATOM 0 H GLU A 69 56.573 36.848-147.490 1.00 0.63 H new ATOM 0 HA GLU A 69 54.137 38.522-147.652 1.00 0.69 H new ATOM 0 HB2 GLU A 69 53.518 36.986-149.436 1.00 0.73 H new ATOM 0 HB3 GLU A 69 55.211 37.382-149.657 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.811 35.275-148.349 1.00 0.75 H new ATOM 0 HG3 GLU A 69 54.108 34.862-148.315 1.00 0.75 H new ATOM 907 N ASP A 70 54.324 35.985-145.740 1.00 0.72 N ATOM 908 CA ASP A 70 53.566 35.165-144.751 1.00 0.78 C ATOM 909 C ASP A 70 54.074 35.563-143.374 1.00 0.69 C ATOM 910 O ASP A 70 53.814 34.929-142.371 1.00 0.84 O ATOM 911 CB ASP A 70 53.830 33.677-144.995 1.00 0.83 C ATOM 912 CG ASP A 70 53.069 33.222-146.242 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.236 33.978-146.713 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.333 32.124-146.705 1.00 1.34 O ATOM 0 H ASP A 70 55.338 35.952-145.639 1.00 0.72 H new ATOM 0 HA ASP A 70 52.493 35.335-144.839 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.898 33.503-145.124 1.00 0.83 H new ATOM 0 HB3 ASP A 70 53.514 33.094-144.130 1.00 0.83 H new ATOM 919 N GLY A 71 54.827 36.618-143.362 1.00 0.50 N ATOM 920 CA GLY A 71 55.413 37.102-142.090 1.00 0.43 C ATOM 921 C GLY A 71 56.099 35.917-141.417 1.00 0.34 C ATOM 922 O GLY A 71 56.403 35.946-140.241 1.00 0.31 O ATOM 0 H GLY A 71 55.064 37.171-144.186 1.00 0.50 H new ATOM 0 HA2 GLY A 71 56.129 37.902-142.278 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.638 37.513-141.443 1.00 0.43 H new ATOM 926 N GLU A 72 56.354 34.869-142.164 1.00 0.36 N ATOM 927 CA GLU A 72 57.026 33.688-141.564 1.00 0.34 C ATOM 928 C GLU A 72 58.233 34.191-140.788 1.00 0.30 C ATOM 929 O GLU A 72 58.423 33.870-139.634 1.00 0.30 O ATOM 930 CB GLU A 72 57.482 32.733-142.669 1.00 0.40 C ATOM 931 CG GLU A 72 56.289 31.904-143.151 1.00 1.23 C ATOM 932 CD GLU A 72 56.080 30.715-142.211 1.00 1.97 C ATOM 933 OE1 GLU A 72 56.966 30.450-141.416 1.00 2.68 O ATOM 934 OE2 GLU A 72 55.037 30.089-142.304 1.00 2.64 O ATOM 0 H GLU A 72 56.126 34.786-143.155 1.00 0.36 H new ATOM 0 HA GLU A 72 56.342 33.152-140.906 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.906 33.297-143.500 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.268 32.076-142.296 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.391 32.521-143.179 1.00 1.23 H new ATOM 0 HG3 GLU A 72 56.465 31.551-144.167 1.00 1.23 H new ATOM 941 N LYS A 73 59.047 34.996-141.405 1.00 0.31 N ATOM 942 CA LYS A 73 60.224 35.532-140.683 1.00 0.33 C ATOM 943 C LYS A 73 59.730 36.001-139.313 1.00 0.29 C ATOM 944 O LYS A 73 60.426 35.931-138.310 1.00 0.29 O ATOM 945 CB LYS A 73 60.814 36.694-141.490 1.00 0.38 C ATOM 946 CG LYS A 73 60.875 36.303-142.972 1.00 0.55 C ATOM 947 CD LYS A 73 61.522 37.424-143.787 1.00 1.07 C ATOM 948 CE LYS A 73 61.607 37.003-145.255 1.00 1.38 C ATOM 949 NZ LYS A 73 62.360 38.033-146.025 1.00 2.36 N ATOM 0 H LYS A 73 58.948 35.303-142.372 1.00 0.31 H new ATOM 0 HA LYS A 73 61.005 34.783-140.557 1.00 0.33 H new ATOM 0 HB2 LYS A 73 60.203 37.587-141.363 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.812 36.936-141.125 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.446 35.382-143.090 1.00 0.55 H new ATOM 0 HG3 LYS A 73 59.870 36.105-143.345 1.00 0.55 H new ATOM 0 HD2 LYS A 73 60.938 38.340-143.693 1.00 1.07 H new ATOM 0 HD3 LYS A 73 62.518 37.640-143.401 1.00 1.07 H new ATOM 0 HE2 LYS A 73 62.103 36.036-145.339 1.00 1.38 H new ATOM 0 HE3 LYS A 73 60.606 36.884-145.669 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 61.826 38.286-146.881 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 62.491 38.880-145.436 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.289 37.653-146.297 1.00 2.36 H new ATOM 963 N GLU A 74 58.482 36.379-139.263 1.00 0.28 N ATOM 964 CA GLU A 74 57.866 36.765-137.967 1.00 0.28 C ATOM 965 C GLU A 74 57.553 35.455-137.259 1.00 0.26 C ATOM 966 O GLU A 74 57.697 35.310-136.077 1.00 0.27 O ATOM 967 CB GLU A 74 56.565 37.524-138.220 1.00 0.31 C ATOM 968 CG GLU A 74 56.271 38.426-137.025 1.00 0.37 C ATOM 969 CD GLU A 74 54.773 38.402-136.718 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.017 37.996-137.586 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.406 38.790-135.622 1.00 1.14 O ATOM 0 H GLU A 74 57.861 36.437-140.070 1.00 0.28 H new ATOM 0 HA GLU A 74 58.525 37.405-137.380 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.648 38.120-139.129 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.744 36.823-138.372 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.836 38.090-136.155 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.592 39.445-137.239 1.00 0.37 H new ATOM 978 N ALA A 75 57.137 34.505-138.033 1.00 0.25 N ATOM 979 CA ALA A 75 56.827 33.170-137.464 1.00 0.27 C ATOM 980 C ALA A 75 58.093 32.685-136.783 1.00 0.26 C ATOM 981 O ALA A 75 58.137 32.539-135.582 1.00 0.27 O ATOM 982 CB ALA A 75 56.404 32.193-138.562 1.00 0.30 C ATOM 0 H ALA A 75 56.997 34.592-139.040 1.00 0.25 H new ATOM 0 HA ALA A 75 55.998 33.234-136.759 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.182 31.222-138.119 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.515 32.574-139.065 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.213 32.086-139.285 1.00 0.30 H new ATOM 988 N ARG A 76 59.127 32.433-137.525 1.00 0.28 N ATOM 989 CA ARG A 76 60.374 31.960-136.881 1.00 0.31 C ATOM 990 C ARG A 76 60.645 32.827-135.660 1.00 0.28 C ATOM 991 O ARG A 76 60.881 32.331-134.576 1.00 0.30 O ATOM 992 CB ARG A 76 61.542 32.066-137.864 1.00 0.35 C ATOM 993 CG ARG A 76 61.214 31.277-139.134 1.00 0.66 C ATOM 994 CD ARG A 76 61.470 29.789-138.891 1.00 1.00 C ATOM 995 NE ARG A 76 61.422 29.058-140.189 1.00 1.51 N ATOM 996 CZ ARG A 76 61.900 27.846-140.274 1.00 2.03 C ATOM 997 NH1 ARG A 76 62.419 27.274-139.222 1.00 2.34 N ATOM 998 NH2 ARG A 76 61.858 27.207-141.411 1.00 3.14 N ATOM 0 H ARG A 76 59.164 32.533-138.539 1.00 0.28 H new ATOM 0 HA ARG A 76 60.266 30.917-136.582 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.730 33.111-138.111 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.452 31.678-137.407 1.00 0.35 H new ATOM 0 HG2 ARG A 76 60.173 31.437-139.415 1.00 0.66 H new ATOM 0 HG3 ARG A 76 61.826 31.631-139.963 1.00 0.66 H new ATOM 0 HD2 ARG A 76 62.442 29.649-138.418 1.00 1.00 H new ATOM 0 HD3 ARG A 76 60.722 29.387-138.207 1.00 1.00 H new ATOM 0 HE ARG A 76 61.016 29.505-141.011 1.00 1.51 H new ATOM 0 HH11 ARG A 76 62.451 27.774-138.333 1.00 2.34 H new ATOM 0 HH12 ARG A 76 62.792 26.327-139.288 1.00 2.34 H new ATOM 0 HH21 ARG A 76 61.452 27.654-142.233 1.00 3.14 H new ATOM 0 HH22 ARG A 76 62.231 26.260-141.478 1.00 3.14 H new ATOM 1012 N LEU A 77 60.609 34.120-135.816 1.00 0.30 N ATOM 1013 CA LEU A 77 60.863 34.998-134.641 1.00 0.31 C ATOM 1014 C LEU A 77 59.906 34.610-133.512 1.00 0.29 C ATOM 1015 O LEU A 77 60.316 34.207-132.443 1.00 0.30 O ATOM 1016 CB LEU A 77 60.642 36.457-135.036 1.00 0.35 C ATOM 1017 CG LEU A 77 61.871 36.961-135.792 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.515 38.236-136.554 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.996 37.258-134.798 1.00 0.38 C ATOM 0 H LEU A 77 60.417 34.602-136.694 1.00 0.30 H new ATOM 0 HA LEU A 77 61.892 34.876-134.302 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.753 36.547-135.660 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.471 37.065-134.148 1.00 0.35 H new ATOM 0 HG LEU A 77 62.201 36.198-136.497 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.392 38.595-137.093 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.715 38.025-137.263 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.184 39.000-135.850 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.872 37.617-135.337 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.666 38.020-134.092 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.252 36.348-134.255 1.00 0.38 H new ATOM 1031 N ILE A 78 58.632 34.724-133.752 1.00 0.29 N ATOM 1032 CA ILE A 78 57.624 34.362-132.715 1.00 0.32 C ATOM 1033 C ILE A 78 57.981 33.012-132.110 1.00 0.30 C ATOM 1034 O ILE A 78 58.010 32.846-130.915 1.00 0.32 O ATOM 1035 CB ILE A 78 56.249 34.272-133.363 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.808 35.674-133.763 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.248 33.683-132.366 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.905 35.587-134.987 1.00 0.37 C ATOM 0 H ILE A 78 58.239 35.056-134.633 1.00 0.29 H new ATOM 0 HA ILE A 78 57.616 35.122-131.933 1.00 0.32 H new ATOM 0 HB ILE A 78 56.293 33.630-134.243 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.277 36.150-132.938 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.678 36.293-133.982 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.265 33.620-132.832 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.574 32.686-132.069 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.192 34.323-131.486 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.587 36.589-135.277 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.452 35.128-135.811 1.00 0.37 H new ATOM 0 HD13 ILE A 78 54.029 34.982-134.751 1.00 0.37 H new ATOM 1050 N ARG A 79 58.275 32.055-132.935 1.00 0.29 N ATOM 1051 CA ARG A 79 58.660 30.716-132.394 1.00 0.32 C ATOM 1052 C ARG A 79 59.928 30.890-131.552 1.00 0.26 C ATOM 1053 O ARG A 79 60.171 30.153-130.617 1.00 0.26 O ATOM 1054 CB ARG A 79 58.929 29.747-133.548 1.00 0.38 C ATOM 1055 CG ARG A 79 59.873 28.638-133.077 1.00 0.39 C ATOM 1056 CD ARG A 79 59.673 27.393-133.943 1.00 0.39 C ATOM 1057 NE ARG A 79 60.317 27.604-135.271 1.00 1.50 N ATOM 1058 CZ ARG A 79 60.535 26.586-136.059 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.189 25.385-135.684 1.00 2.28 N ATOM 1060 NH2 ARG A 79 61.100 26.771-137.221 1.00 3.27 N ATOM 0 H ARG A 79 58.268 32.133-133.952 1.00 0.29 H new ATOM 0 HA ARG A 79 57.855 30.309-131.782 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.992 29.316-133.900 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.370 30.281-134.390 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.907 28.975-133.141 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.679 28.401-132.031 1.00 0.39 H new ATOM 0 HD2 ARG A 79 60.105 26.521-133.451 1.00 0.39 H new ATOM 0 HD3 ARG A 79 58.609 27.192-134.070 1.00 0.39 H new ATOM 0 HE ARG A 79 60.587 28.543-135.564 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.748 25.242-134.775 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.359 24.590-136.300 1.00 2.28 H new ATOM 0 HH21 ARG A 79 61.371 27.710-137.513 1.00 3.27 H new ATOM 0 HH22 ARG A 79 61.271 25.976-137.837 1.00 3.27 H new ATOM 1074 N ASN A 80 60.726 31.879-131.865 1.00 0.23 N ATOM 1075 CA ASN A 80 61.965 32.123-131.070 1.00 0.21 C ATOM 1076 C ASN A 80 61.579 32.885-129.803 1.00 0.21 C ATOM 1077 O ASN A 80 62.231 32.791-128.781 1.00 0.22 O ATOM 1078 CB ASN A 80 62.953 32.949-131.893 1.00 0.23 C ATOM 1079 CG ASN A 80 63.077 32.350-133.294 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.668 31.230-133.527 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.629 33.052-134.245 1.00 1.15 N ATOM 0 H ASN A 80 60.572 32.528-132.637 1.00 0.23 H new ATOM 0 HA ASN A 80 62.437 31.176-130.808 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.614 33.983-131.957 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.927 32.963-131.404 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.717 32.660-135.183 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.973 33.992-134.051 1.00 1.15 H new ATOM 1088 N LEU A 81 60.474 33.576-129.845 1.00 0.23 N ATOM 1089 CA LEU A 81 59.993 34.275-128.625 1.00 0.28 C ATOM 1090 C LEU A 81 59.385 33.188-127.761 1.00 0.30 C ATOM 1091 O LEU A 81 59.767 32.968-126.632 1.00 0.31 O ATOM 1092 CB LEU A 81 58.928 35.315-128.988 1.00 0.35 C ATOM 1093 CG LEU A 81 59.598 36.645-129.340 1.00 0.44 C ATOM 1094 CD1 LEU A 81 59.465 36.905-130.841 1.00 1.28 C ATOM 1095 CD2 LEU A 81 58.914 37.777-128.568 1.00 1.26 C ATOM 0 H LEU A 81 59.885 33.686-130.671 1.00 0.23 H new ATOM 0 HA LEU A 81 60.798 34.805-128.116 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.335 34.962-129.832 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.242 35.453-128.152 1.00 0.35 H new ATOM 0 HG LEU A 81 60.653 36.601-129.071 1.00 0.44 H new ATOM 0 HD11 LEU A 81 59.943 37.853-131.090 1.00 1.28 H new ATOM 0 HD12 LEU A 81 59.948 36.099-131.394 1.00 1.28 H new ATOM 0 HD13 LEU A 81 58.410 36.949-131.111 1.00 1.28 H new ATOM 0 HD21 LEU A 81 59.389 38.726-128.817 1.00 1.26 H new ATOM 0 HD22 LEU A 81 57.859 37.817-128.840 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.006 37.595-127.497 1.00 1.26 H new ATOM 1107 N ASN A 82 58.468 32.473-128.334 1.00 0.35 N ATOM 1108 CA ASN A 82 57.828 31.341-127.636 1.00 0.42 C ATOM 1109 C ASN A 82 58.917 30.479-127.009 1.00 0.37 C ATOM 1110 O ASN A 82 58.970 30.304-125.808 1.00 0.38 O ATOM 1111 CB ASN A 82 57.038 30.539-128.680 1.00 0.51 C ATOM 1112 CG ASN A 82 55.626 31.114-128.805 1.00 0.62 C ATOM 1113 OD1 ASN A 82 55.446 32.401-128.690 1.00 1.27 O flip ATOM 1114 ND2 ASN A 82 54.677 30.383-129.010 1.00 0.98 N flip ATOM 0 H ASN A 82 58.128 32.632-129.282 1.00 0.35 H new ATOM 0 HA ASN A 82 57.155 31.682-126.849 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.545 30.579-129.644 1.00 0.51 H new ATOM 0 HB3 ASN A 82 56.990 29.490-128.388 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.818 29.377-129.100 1.00 0.98 H new ATOM 0 HD22 ASN A 82 53.739 30.776-129.092 1.00 0.98 H new ATOM 1121 N VAL A 83 59.799 29.954-127.808 1.00 0.35 N ATOM 1122 CA VAL A 83 60.896 29.122-127.251 1.00 0.36 C ATOM 1123 C VAL A 83 61.582 29.906-126.133 1.00 0.32 C ATOM 1124 O VAL A 83 61.777 29.410-125.051 1.00 0.35 O ATOM 1125 CB VAL A 83 61.909 28.810-128.354 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.203 28.287-127.729 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.330 27.750-129.292 1.00 0.44 C ATOM 0 H VAL A 83 59.808 30.065-128.822 1.00 0.35 H new ATOM 0 HA VAL A 83 60.495 28.187-126.859 1.00 0.36 H new ATOM 0 HB VAL A 83 62.122 29.718-128.918 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.924 28.065-128.516 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.616 29.043-127.061 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.993 27.379-127.163 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.051 27.527-130.078 1.00 0.44 H new ATOM 0 HG22 VAL A 83 61.116 26.842-128.728 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.409 28.124-129.740 1.00 0.44 H new ATOM 1137 N ILE A 84 61.954 31.127-126.400 1.00 0.27 N ATOM 1138 CA ILE A 84 62.632 31.935-125.347 1.00 0.30 C ATOM 1139 C ILE A 84 61.809 31.874-124.059 1.00 0.31 C ATOM 1140 O ILE A 84 62.301 31.515-123.003 1.00 0.37 O ATOM 1141 CB ILE A 84 62.762 33.384-125.784 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.930 33.502-126.760 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.034 34.249-124.550 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.715 34.710-127.664 1.00 0.37 C ATOM 0 H ILE A 84 61.819 31.598-127.295 1.00 0.27 H new ATOM 0 HA ILE A 84 63.629 31.527-125.180 1.00 0.30 H new ATOM 0 HB ILE A 84 61.845 33.717-126.270 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.867 33.606-126.212 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.010 32.595-127.359 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.129 35.292-124.851 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.208 34.148-123.846 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.959 33.923-124.074 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.548 34.795-128.361 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.786 34.587-128.221 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.656 35.613-127.057 1.00 0.37 H new ATOM 1156 N LEU A 85 60.554 32.226-124.133 1.00 0.35 N ATOM 1157 CA LEU A 85 59.708 32.186-122.910 1.00 0.42 C ATOM 1158 C LEU A 85 59.763 30.782-122.325 1.00 0.42 C ATOM 1159 O LEU A 85 60.160 30.584-121.196 1.00 0.47 O ATOM 1160 CB LEU A 85 58.271 32.551-123.272 1.00 0.54 C ATOM 1161 CG LEU A 85 58.114 34.066-123.210 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.117 34.510-121.749 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.284 34.726-123.944 1.00 0.61 C ATOM 0 H LEU A 85 60.082 32.537-124.982 1.00 0.35 H new ATOM 0 HA LEU A 85 60.075 32.902-122.174 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.031 32.188-124.271 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.576 32.072-122.583 1.00 0.54 H new ATOM 0 HG LEU A 85 57.176 34.359-123.681 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.005 35.593-121.698 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.290 34.034-121.222 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.059 34.220-121.283 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.175 35.810-123.902 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.221 34.437-123.469 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.290 34.402-124.985 1.00 0.61 H new ATOM 1175 N ALA A 86 59.394 29.803-123.095 1.00 0.47 N ATOM 1176 CA ALA A 86 59.455 28.407-122.595 1.00 0.58 C ATOM 1177 C ALA A 86 60.888 28.124-122.142 1.00 0.59 C ATOM 1178 O ALA A 86 61.160 27.170-121.440 1.00 0.73 O ATOM 1179 CB ALA A 86 59.079 27.451-123.727 1.00 0.64 C ATOM 0 H ALA A 86 59.052 29.909-124.050 1.00 0.47 H new ATOM 0 HA ALA A 86 58.764 28.268-121.764 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.122 26.424-123.365 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.068 27.673-124.070 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.778 27.574-124.554 1.00 0.64 H new ATOM 1185 N LYS A 87 61.807 28.946-122.571 1.00 0.50 N ATOM 1186 CA LYS A 87 63.236 28.746-122.214 1.00 0.60 C ATOM 1187 C LYS A 87 63.473 29.150-120.771 1.00 0.58 C ATOM 1188 O LYS A 87 64.066 28.415-120.006 1.00 0.71 O ATOM 1189 CB LYS A 87 64.108 29.614-123.115 1.00 0.61 C ATOM 1190 CG LYS A 87 65.510 29.007-123.212 1.00 0.82 C ATOM 1191 CD LYS A 87 66.401 29.918-124.058 1.00 0.99 C ATOM 1192 CE LYS A 87 67.809 29.324-124.139 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.629 30.122-125.093 1.00 2.02 N ATOM 0 H LYS A 87 61.623 29.757-123.161 1.00 0.50 H new ATOM 0 HA LYS A 87 63.489 27.694-122.344 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.663 29.687-124.107 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.166 30.627-122.716 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.936 28.887-122.216 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.458 28.014-123.659 1.00 0.82 H new ATOM 0 HD2 LYS A 87 65.982 30.026-125.059 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.440 30.915-123.619 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.274 29.326-123.153 1.00 1.63 H new ATOM 0 HE3 LYS A 87 67.759 28.285-124.466 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.586 29.719-125.149 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.188 30.098-126.034 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.686 31.106-124.762 1.00 2.02 H new ATOM 1207 N TYR A 88 63.022 30.305-120.376 1.00 0.45 N ATOM 1208 CA TYR A 88 63.242 30.720-118.965 1.00 0.47 C ATOM 1209 C TYR A 88 62.074 30.224-118.120 1.00 0.54 C ATOM 1210 O TYR A 88 62.135 30.175-116.907 1.00 0.58 O ATOM 1211 CB TYR A 88 63.324 32.246-118.889 1.00 0.44 C ATOM 1212 CG TYR A 88 64.579 32.712-119.587 1.00 0.45 C ATOM 1213 CD1 TYR A 88 64.597 32.847-120.979 1.00 0.53 C ATOM 1214 CD2 TYR A 88 65.727 33.006-118.841 1.00 0.58 C ATOM 1215 CE1 TYR A 88 65.761 33.275-121.627 1.00 0.62 C ATOM 1216 CE2 TYR A 88 66.892 33.435-119.489 1.00 0.64 C ATOM 1217 CZ TYR A 88 66.908 33.570-120.882 1.00 0.61 C ATOM 1218 OH TYR A 88 68.057 33.993-121.521 1.00 0.73 O ATOM 0 H TYR A 88 62.517 30.972-120.960 1.00 0.45 H new ATOM 0 HA TYR A 88 64.174 30.295-118.592 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.447 32.693-119.356 1.00 0.44 H new ATOM 0 HB3 TYR A 88 63.331 32.570-117.848 1.00 0.44 H new ATOM 0 HD1 TYR A 88 63.711 32.621-121.554 1.00 0.53 H new ATOM 0 HD2 TYR A 88 65.714 32.902-117.766 1.00 0.58 H new ATOM 0 HE1 TYR A 88 65.774 33.378-122.702 1.00 0.62 H new ATOM 0 HE2 TYR A 88 67.778 33.662-118.914 1.00 0.64 H new ATOM 0 HH TYR A 88 68.023 33.729-122.464 1.00 0.73 H new ATOM 1228 N GLY A 89 61.003 29.876-118.766 1.00 0.59 N ATOM 1229 CA GLY A 89 59.804 29.401-118.021 1.00 0.69 C ATOM 1230 C GLY A 89 59.004 30.623-117.578 1.00 0.77 C ATOM 1231 O GLY A 89 58.522 30.705-116.465 1.00 1.09 O ATOM 0 H GLY A 89 60.902 29.899-119.781 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.194 28.756-118.654 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.103 28.809-117.156 1.00 0.69 H new ATOM 1235 N LEU A 90 58.859 31.569-118.459 1.00 0.65 N ATOM 1236 CA LEU A 90 58.093 32.799-118.135 1.00 0.75 C ATOM 1237 C LEU A 90 56.822 32.829-118.988 1.00 0.80 C ATOM 1238 O LEU A 90 56.324 33.880-119.341 1.00 1.31 O ATOM 1239 CB LEU A 90 58.957 34.015-118.457 1.00 0.82 C ATOM 1240 CG LEU A 90 58.877 35.013-117.308 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.987 36.052-117.468 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.513 35.702-117.339 1.00 1.68 C ATOM 0 H LEU A 90 59.244 31.541-119.403 1.00 0.65 H new ATOM 0 HA LEU A 90 57.823 32.812-117.079 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.991 33.708-118.615 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.618 34.481-119.382 1.00 0.82 H new ATOM 0 HG LEU A 90 59.000 34.498-116.356 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.935 36.769-116.649 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.956 35.554-117.453 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.862 36.575-118.416 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.448 36.418-116.520 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.391 36.225-118.288 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.726 34.956-117.232 1.00 1.68 H new ATOM 1254 N ASP A 91 56.305 31.681-119.334 1.00 0.77 N ATOM 1255 CA ASP A 91 55.078 31.638-120.180 1.00 0.87 C ATOM 1256 C ASP A 91 53.836 31.489-119.296 1.00 1.30 C ATOM 1257 O ASP A 91 52.764 31.186-119.777 1.00 1.70 O ATOM 1258 CB ASP A 91 55.149 30.431-121.119 1.00 1.04 C ATOM 1259 CG ASP A 91 56.531 30.358-121.767 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.507 30.498-121.050 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.590 30.164-122.969 1.00 0.84 O ATOM 0 H ASP A 91 56.680 30.771-119.067 1.00 0.77 H new ATOM 0 HA ASP A 91 55.015 32.563-120.753 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.949 29.515-120.564 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.381 30.512-121.888 1.00 1.04 H new ATOM 1266 N GLY A 92 53.963 31.681-118.011 1.00 1.77 N ATOM 1267 CA GLY A 92 52.769 31.523-117.130 1.00 2.22 C ATOM 1268 C GLY A 92 52.041 30.237-117.528 1.00 2.72 C ATOM 1269 O GLY A 92 52.660 29.225-117.792 1.00 3.30 O ATOM 0 H GLY A 92 54.829 31.937-117.537 1.00 1.77 H new ATOM 0 HA2 GLY A 92 53.073 31.479-116.084 1.00 2.22 H new ATOM 0 HA3 GLY A 92 52.106 32.382-117.233 1.00 2.22 H new ATOM 1273 N LYS A 93 50.738 30.263-117.594 1.00 3.13 N ATOM 1274 CA LYS A 93 49.999 29.034-117.997 1.00 3.96 C ATOM 1275 C LYS A 93 50.213 28.806-119.495 1.00 4.22 C ATOM 1276 O LYS A 93 50.895 29.569-120.150 1.00 4.63 O ATOM 1277 CB LYS A 93 48.506 29.216-117.713 1.00 4.60 C ATOM 1278 CG LYS A 93 48.317 29.746-116.290 1.00 4.79 C ATOM 1279 CD LYS A 93 46.850 30.124-116.077 1.00 5.91 C ATOM 1280 CE LYS A 93 46.720 30.974-114.812 1.00 6.60 C ATOM 1281 NZ LYS A 93 47.618 32.159-114.916 1.00 6.86 N ATOM 0 H LYS A 93 50.157 31.076-117.388 1.00 3.13 H new ATOM 0 HA LYS A 93 50.365 28.176-117.433 1.00 3.96 H new ATOM 0 HB2 LYS A 93 48.070 29.910-118.432 1.00 4.60 H new ATOM 0 HB3 LYS A 93 47.984 28.266-117.831 1.00 4.60 H new ATOM 0 HG2 LYS A 93 48.617 28.989-115.566 1.00 4.79 H new ATOM 0 HG3 LYS A 93 48.955 30.615-116.126 1.00 4.79 H new ATOM 0 HD2 LYS A 93 46.477 30.677-116.939 1.00 5.91 H new ATOM 0 HD3 LYS A 93 46.241 29.224-115.988 1.00 5.91 H new ATOM 0 HE2 LYS A 93 45.687 31.297-114.683 1.00 6.60 H new ATOM 0 HE3 LYS A 93 46.981 30.382-113.935 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 47.161 32.981-114.471 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 48.516 31.958-114.432 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 47.804 32.367-115.918 1.00 6.86 H new ATOM 1295 N LYS A 94 49.646 27.770-120.050 1.00 4.52 N ATOM 1296 CA LYS A 94 49.837 27.519-121.506 1.00 5.25 C ATOM 1297 C LYS A 94 48.995 28.510-122.313 1.00 5.64 C ATOM 1298 O LYS A 94 47.940 28.178-122.816 1.00 6.30 O ATOM 1299 CB LYS A 94 49.400 26.091-121.838 1.00 6.00 C ATOM 1300 CG LYS A 94 49.741 25.167-120.667 1.00 6.18 C ATOM 1301 CD LYS A 94 51.230 25.289-120.337 1.00 7.02 C ATOM 1302 CE LYS A 94 51.587 24.312-119.217 1.00 7.55 C ATOM 1303 NZ LYS A 94 52.994 24.545-118.783 1.00 7.75 N ATOM 0 H LYS A 94 49.062 27.091-119.562 1.00 4.52 H new ATOM 0 HA LYS A 94 50.889 27.647-121.760 1.00 5.25 H new ATOM 0 HB2 LYS A 94 48.328 26.064-122.036 1.00 6.00 H new ATOM 0 HB3 LYS A 94 49.900 25.748-122.744 1.00 6.00 H new ATOM 0 HG2 LYS A 94 49.142 25.431-119.796 1.00 6.18 H new ATOM 0 HG3 LYS A 94 49.497 24.135-120.921 1.00 6.18 H new ATOM 0 HD2 LYS A 94 51.828 25.077-121.223 1.00 7.02 H new ATOM 0 HD3 LYS A 94 51.463 26.309-120.032 1.00 7.02 H new ATOM 0 HE2 LYS A 94 50.909 24.445-118.374 1.00 7.55 H new ATOM 0 HE3 LYS A 94 51.467 23.286-119.564 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 53.237 23.880-118.021 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 53.635 24.397-119.589 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 53.093 25.520-118.436 1.00 7.75 H new ATOM 1317 N ASP A 95 49.456 29.723-122.445 1.00 5.55 N ATOM 1318 CA ASP A 95 48.684 30.730-123.226 1.00 6.18 C ATOM 1319 C ASP A 95 48.303 30.127-124.580 1.00 6.72 C ATOM 1320 O ASP A 95 48.802 29.088-124.966 1.00 7.02 O ATOM 1321 CB ASP A 95 49.540 31.979-123.442 1.00 6.12 C ATOM 1322 CG ASP A 95 50.778 31.613-124.265 1.00 6.05 C ATOM 1323 OD1 ASP A 95 50.636 31.426-125.461 1.00 6.22 O ATOM 1324 OD2 ASP A 95 51.847 31.524-123.682 1.00 6.23 O ATOM 0 H ASP A 95 50.332 30.060-122.047 1.00 5.55 H new ATOM 0 HA ASP A 95 47.782 31.006-122.680 1.00 6.18 H new ATOM 0 HB2 ASP A 95 48.961 32.745-123.958 1.00 6.12 H new ATOM 0 HB3 ASP A 95 49.840 32.398-122.481 1.00 6.12 H new ATOM 1329 N ALA A 96 47.427 30.763-125.307 1.00 7.12 N ATOM 1330 CA ALA A 96 47.025 30.215-126.634 1.00 7.86 C ATOM 1331 C ALA A 96 46.419 31.331-127.485 1.00 8.30 C ATOM 1332 O ALA A 96 46.647 31.411-128.676 1.00 8.93 O ATOM 1333 CB ALA A 96 45.991 29.104-126.434 1.00 8.22 C ATOM 0 H ALA A 96 46.973 31.637-125.041 1.00 7.12 H new ATOM 0 HA ALA A 96 47.901 29.809-127.140 1.00 7.86 H new ATOM 0 HB1 ALA A 96 45.696 28.702-127.404 1.00 8.22 H new ATOM 0 HB2 ALA A 96 46.425 28.308-125.828 1.00 8.22 H new ATOM 0 HB3 ALA A 96 45.115 29.509-125.928 1.00 8.22 H new ATOM 1339 N ARG A 97 45.650 32.192-126.883 1.00 8.23 N ATOM 1340 CA ARG A 97 45.027 33.306-127.654 1.00 8.95 C ATOM 1341 C ARG A 97 44.467 34.347-126.683 1.00 9.53 C ATOM 1342 O ARG A 97 44.955 35.456-126.598 1.00 9.76 O ATOM 1343 CB ARG A 97 43.893 32.755-128.521 1.00 8.85 C ATOM 1344 CG ARG A 97 43.245 33.901-129.304 1.00 8.58 C ATOM 1345 CD ARG A 97 41.722 33.833-129.163 1.00 8.65 C ATOM 1346 NE ARG A 97 41.284 32.411-129.017 1.00 9.34 N ATOM 1347 CZ ARG A 97 41.806 31.472-129.759 1.00 9.46 C ATOM 1348 NH1 ARG A 97 42.659 31.772-130.699 1.00 9.01 N ATOM 1349 NH2 ARG A 97 41.455 30.228-129.576 1.00 10.30 N ATOM 0 H ARG A 97 45.424 32.174-125.888 1.00 8.23 H new ATOM 0 HA ARG A 97 45.779 33.771-128.292 1.00 8.95 H new ATOM 0 HB2 ARG A 97 44.280 32.003-129.209 1.00 8.85 H new ATOM 0 HB3 ARG A 97 43.149 32.262-127.895 1.00 8.85 H new ATOM 0 HG2 ARG A 97 43.611 34.859-128.933 1.00 8.58 H new ATOM 0 HG3 ARG A 97 43.525 33.838-130.356 1.00 8.58 H new ATOM 0 HD2 ARG A 97 41.403 34.411-128.296 1.00 8.65 H new ATOM 0 HD3 ARG A 97 41.248 34.280-130.036 1.00 8.65 H new ATOM 0 HE ARG A 97 40.569 32.172-128.330 1.00 9.34 H new ATOM 0 HH11 ARG A 97 42.922 32.745-130.858 1.00 9.01 H new ATOM 0 HH12 ARG A 97 43.063 31.034-131.275 1.00 9.01 H new ATOM 0 HH21 ARG A 97 40.774 29.991-128.854 1.00 10.30 H new ATOM 0 HH22 ARG A 97 41.862 29.493-130.155 1.00 10.30 H new ATOM 1363 N GLN A 98 43.444 33.999-125.950 1.00 9.97 N ATOM 1364 CA GLN A 98 42.853 34.968-124.986 1.00 10.76 C ATOM 1365 C GLN A 98 43.974 35.677-124.221 1.00 10.99 C ATOM 1366 O GLN A 98 44.360 35.177-123.177 1.00 11.00 O ATOM 1367 CB GLN A 98 41.955 34.221-123.997 1.00 11.07 C ATOM 1368 CG GLN A 98 40.783 33.590-124.750 1.00 11.38 C ATOM 1369 CD GLN A 98 39.717 34.654-125.019 1.00 11.58 C ATOM 1370 OE1 GLN A 98 39.928 35.556-125.804 1.00 11.67 O ATOM 1371 NE2 GLN A 98 38.572 34.586-124.397 1.00 11.85 N ATOM 0 H GLN A 98 42.993 33.085-125.978 1.00 9.97 H new ATOM 0 HA GLN A 98 42.262 35.705-125.530 1.00 10.76 H new ATOM 0 HB2 GLN A 98 42.527 33.450-123.481 1.00 11.07 H new ATOM 0 HB3 GLN A 98 41.585 34.907-123.235 1.00 11.07 H new ATOM 0 HG2 GLN A 98 41.130 33.161-125.690 1.00 11.38 H new ATOM 0 HG3 GLN A 98 40.358 32.774-124.165 1.00 11.38 H new ATOM 0 HE21 GLN A 98 38.394 33.829-123.737 1.00 11.85 H new ATOM 0 HE22 GLN A 98 37.855 35.290-124.570 1.00 11.85 H new TER 1380 GLN A 98