USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=9 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 : amide:sc= -11.4! C(o=-17!,f=-12!) USER MOD Set 1.2: A 80 ASN : amide:sc= -5.16! C(o=-17!,f=-12!) USER MOD Single : A 22 MET CE :methyl 152:sc= -1.21 (180deg=-2.23) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.16) USER MOD Single : A 26 ASN : amide:sc= -4.81! C(o=-4.8!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -0.275 K(o=-0.27,f=-2.6!) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 0.989 (180deg=0.0149) USER MOD Single : A 33 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.19) USER MOD Single : A 36 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-2.1!) USER MOD Single : A 46 HIS : no HD1:sc= -4.56! K(o=-4.6!,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -2.31! (180deg=-2.97!) USER MOD Single : A 60 LYS NZ :NH3+ -149:sc= -0.166 (180deg=-0.865) 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+ -160:sc= -4.9! (180deg=-5.6!) USER MOD Single : A 82 ASN : amide:sc= 0.848 K(o=0.85,f=-0.007) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 123:sc= -12.6! USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0276) USER MOD Single : A 94 LYS NZ :NH3+ -105:sc= -2.07 (180deg=-6.24!) USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 63.048 56.264-121.716 1.00 3.57 N ATOM 2 CA GLY A 17 62.802 55.189-120.658 1.00 2.94 C ATOM 3 C GLY A 17 62.409 53.816-121.085 1.00 2.17 C ATOM 4 O GLY A 17 61.923 53.026-120.300 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.713 55.099-120.066 1.00 2.94 H new ATOM 0 HA3 GLY A 17 62.023 55.559-119.991 1.00 2.94 H new ATOM 8 N GLU A 18 62.604 53.495-122.335 1.00 1.64 N ATOM 9 CA GLU A 18 62.232 52.137-122.822 1.00 0.99 C ATOM 10 C GLU A 18 63.492 51.386-123.253 1.00 0.98 C ATOM 11 O GLU A 18 64.586 51.915-123.212 1.00 1.60 O ATOM 12 CB GLU A 18 61.282 52.266-124.014 1.00 1.22 C ATOM 13 CG GLU A 18 59.988 52.950-123.566 1.00 1.64 C ATOM 14 CD GLU A 18 60.178 54.467-123.589 1.00 2.48 C ATOM 15 OE1 GLU A 18 61.189 54.910-124.111 1.00 3.09 O ATOM 16 OE2 GLU A 18 59.312 55.161-123.083 1.00 3.13 O ATOM 0 H GLU A 18 63.005 54.114-123.039 1.00 1.64 H new ATOM 0 HA GLU A 18 61.738 51.587-122.021 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.755 52.844-124.808 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.061 51.281-124.425 1.00 1.22 H new ATOM 0 HG2 GLU A 18 59.167 52.666-124.224 1.00 1.64 H new ATOM 0 HG3 GLU A 18 59.720 52.622-122.562 1.00 1.64 H new ATOM 23 N GLU A 19 63.352 50.156-123.662 1.00 0.57 N ATOM 24 CA GLU A 19 64.543 49.370-124.093 1.00 0.55 C ATOM 25 C GLU A 19 64.438 49.080-125.592 1.00 0.56 C ATOM 26 O GLU A 19 65.342 49.358-126.355 1.00 0.63 O ATOM 27 CB GLU A 19 64.599 48.057-123.301 1.00 0.45 C ATOM 28 CG GLU A 19 63.204 47.432-123.229 1.00 0.38 C ATOM 29 CD GLU A 19 62.294 48.295-122.350 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.767 49.299-121.844 1.00 2.06 O ATOM 31 OE2 GLU A 19 61.138 47.935-122.198 1.00 1.96 O ATOM 0 H GLU A 19 62.463 49.660-123.717 1.00 0.57 H new ATOM 0 HA GLU A 19 65.454 49.938-123.902 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.293 47.364-123.777 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.975 48.245-122.295 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.782 47.345-124.230 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.268 46.423-122.822 1.00 0.38 H new ATOM 38 N PHE A 20 63.336 48.533-126.015 1.00 0.51 N ATOM 39 CA PHE A 20 63.151 48.232-127.462 1.00 0.54 C ATOM 40 C PHE A 20 62.013 49.112-127.968 1.00 0.55 C ATOM 41 O PHE A 20 61.493 49.925-127.231 1.00 0.57 O ATOM 42 CB PHE A 20 62.770 46.762-127.628 1.00 0.52 C ATOM 43 CG PHE A 20 63.677 45.921-126.766 1.00 0.52 C ATOM 44 CD1 PHE A 20 65.011 45.714-127.134 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.179 45.359-125.588 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.846 44.937-126.319 1.00 0.82 C ATOM 47 CE2 PHE A 20 64.011 44.585-124.772 1.00 0.51 C ATOM 48 CZ PHE A 20 65.345 44.373-125.137 1.00 0.56 C ATOM 0 H PHE A 20 62.549 48.279-125.418 1.00 0.51 H new ATOM 0 HA PHE A 20 64.067 48.425-128.020 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.729 46.608-127.342 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.861 46.465-128.673 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.396 46.152-128.043 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.149 45.522-125.307 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.875 44.773-126.602 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.624 44.152-123.862 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.989 43.775-124.509 1.00 0.56 H new ATOM 58 N ARG A 21 61.601 48.978-129.198 1.00 0.57 N ATOM 59 CA ARG A 21 60.485 49.831-129.692 1.00 0.60 C ATOM 60 C ARG A 21 59.335 48.913-130.084 1.00 0.57 C ATOM 61 O ARG A 21 58.375 49.311-130.714 1.00 0.59 O ATOM 62 CB ARG A 21 60.949 50.594-130.926 1.00 0.69 C ATOM 63 CG ARG A 21 62.282 51.288-130.632 1.00 0.74 C ATOM 64 CD ARG A 21 62.955 51.678-131.949 1.00 0.82 C ATOM 65 NE ARG A 21 64.393 51.277-131.918 1.00 1.35 N ATOM 66 CZ ARG A 21 65.109 51.448-130.837 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.590 52.027-129.789 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.352 51.053-130.813 1.00 2.72 N ATOM 0 H ARG A 21 61.985 48.321-129.877 1.00 0.57 H new ATOM 0 HA ARG A 21 60.172 50.537-128.922 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.062 49.910-131.767 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.199 51.331-131.213 1.00 0.69 H new ATOM 0 HG2 ARG A 21 62.116 52.174-130.020 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.932 50.624-130.062 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.450 51.192-132.784 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.871 52.753-132.107 1.00 0.82 H new ATOM 0 HE ARG A 21 64.821 50.866-132.748 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.622 52.348-129.811 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.152 52.158-128.948 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.763 50.612-131.636 1.00 2.72 H new ATOM 0 HH22 ARG A 21 66.913 51.185-129.971 1.00 2.72 H new ATOM 82 N MET A 22 59.443 47.682-129.697 1.00 0.54 N ATOM 83 CA MET A 22 58.384 46.688-130.011 1.00 0.55 C ATOM 84 C MET A 22 57.528 46.472-128.768 1.00 0.49 C ATOM 85 O MET A 22 58.036 46.270-127.683 1.00 0.63 O ATOM 86 CB MET A 22 59.034 45.366-130.409 1.00 0.61 C ATOM 87 CG MET A 22 59.417 45.402-131.887 1.00 0.71 C ATOM 88 SD MET A 22 57.932 45.196-132.902 1.00 1.14 S ATOM 89 CE MET A 22 57.894 46.861-133.612 1.00 1.25 C ATOM 0 H MET A 22 60.232 47.313-129.167 1.00 0.54 H new ATOM 0 HA MET A 22 57.765 47.051-130.832 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.919 45.187-129.799 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.346 44.541-130.222 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.904 46.348-132.124 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.133 44.611-132.107 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.411 46.829-134.589 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.336 47.525-132.952 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.913 47.232-133.723 1.00 1.25 H new ATOM 99 N GLU A 23 56.236 46.515-128.906 1.00 0.47 N ATOM 100 CA GLU A 23 55.370 46.313-127.717 1.00 0.46 C ATOM 101 C GLU A 23 55.593 44.909-127.160 1.00 0.50 C ATOM 102 O GLU A 23 55.696 44.721-125.964 1.00 0.50 O ATOM 103 CB GLU A 23 53.901 46.487-128.108 1.00 0.50 C ATOM 104 CG GLU A 23 53.601 47.973-128.320 1.00 1.45 C ATOM 105 CD GLU A 23 52.105 48.161-128.573 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.391 47.172-128.549 1.00 2.48 O ATOM 107 OE2 GLU A 23 51.697 49.292-128.785 1.00 2.68 O ATOM 0 H GLU A 23 55.745 46.680-129.784 1.00 0.47 H new ATOM 0 HA GLU A 23 55.624 47.050-126.956 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.688 45.929-129.019 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.256 46.083-127.328 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.907 48.545-127.444 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.174 48.353-129.165 1.00 1.45 H new ATOM 114 N LYS A 24 55.672 43.917-128.002 1.00 0.54 N ATOM 115 CA LYS A 24 55.893 42.538-127.491 1.00 0.59 C ATOM 116 C LYS A 24 57.156 42.515-126.634 1.00 0.53 C ATOM 117 O LYS A 24 57.154 42.021-125.523 1.00 0.55 O ATOM 118 CB LYS A 24 56.053 41.572-128.668 1.00 0.67 C ATOM 119 CG LYS A 24 57.496 41.616-129.175 1.00 0.64 C ATOM 120 CD LYS A 24 57.607 40.803-130.466 1.00 0.77 C ATOM 121 CE LYS A 24 56.874 39.472-130.298 1.00 1.46 C ATOM 122 NZ LYS A 24 57.280 38.539-131.388 1.00 2.09 N ATOM 0 H LYS A 24 55.594 44.001-129.015 1.00 0.54 H new ATOM 0 HA LYS A 24 55.038 42.231-126.889 1.00 0.59 H new ATOM 0 HB2 LYS A 24 55.797 40.559-128.358 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.367 41.843-129.470 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.798 42.648-129.355 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.171 41.213-128.420 1.00 0.64 H new ATOM 0 HD2 LYS A 24 57.180 41.363-131.298 1.00 0.77 H new ATOM 0 HD3 LYS A 24 58.655 40.625-130.707 1.00 0.77 H new ATOM 0 HE2 LYS A 24 57.107 39.036-129.326 1.00 1.46 H new ATOM 0 HE3 LYS A 24 55.796 39.632-130.325 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 56.732 37.659-131.314 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.098 38.983-132.311 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 58.294 38.324-131.301 1.00 2.09 H new ATOM 136 N LEU A 25 58.238 43.040-127.136 1.00 0.47 N ATOM 137 CA LEU A 25 59.504 43.043-126.354 1.00 0.42 C ATOM 138 C LEU A 25 59.331 43.888-125.096 1.00 0.39 C ATOM 139 O LEU A 25 59.546 43.431-124.000 1.00 0.55 O ATOM 140 CB LEU A 25 60.619 43.653-127.205 1.00 0.43 C ATOM 141 CG LEU A 25 61.228 42.590-128.121 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.041 43.007-129.581 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.721 42.471-127.819 1.00 1.03 C ATOM 0 H LEU A 25 58.300 43.469-128.059 1.00 0.47 H new ATOM 0 HA LEU A 25 59.757 42.020-126.077 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.222 44.474-127.802 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.391 44.072-126.560 1.00 0.43 H new ATOM 0 HG LEU A 25 60.736 41.632-127.951 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.475 42.250-130.234 1.00 0.92 H new ATOM 0 HD12 LEU A 25 59.977 43.107-129.798 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.537 43.962-129.753 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.164 41.715-128.467 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.206 43.431-127.997 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.860 42.182-126.777 1.00 1.03 H new ATOM 155 N ASN A 26 58.952 45.123-125.249 1.00 0.39 N ATOM 156 CA ASN A 26 58.779 45.981-124.045 1.00 0.37 C ATOM 157 C ASN A 26 57.889 45.231-123.058 1.00 0.40 C ATOM 158 O ASN A 26 58.256 44.972-121.929 1.00 0.40 O ATOM 159 CB ASN A 26 58.120 47.304-124.429 1.00 0.41 C ATOM 160 CG ASN A 26 58.760 47.837-125.712 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.546 47.156-126.341 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.459 49.036-126.128 1.00 0.45 N ATOM 0 H ASN A 26 58.756 45.573-126.143 1.00 0.39 H new ATOM 0 HA ASN A 26 59.749 46.199-123.598 1.00 0.37 H new ATOM 0 HB2 ASN A 26 57.050 47.161-124.576 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.237 48.029-123.623 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.883 49.401-126.981 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.799 49.608-125.601 1.00 0.45 H new ATOM 169 N GLN A 27 56.716 44.885-123.493 1.00 0.44 N ATOM 170 CA GLN A 27 55.771 44.152-122.614 1.00 0.50 C ATOM 171 C GLN A 27 56.497 42.981-121.948 1.00 0.47 C ATOM 172 O GLN A 27 56.440 42.808-120.746 1.00 0.48 O ATOM 173 CB GLN A 27 54.605 43.620-123.450 1.00 0.59 C ATOM 174 CG GLN A 27 53.664 44.772-123.807 1.00 0.58 C ATOM 175 CD GLN A 27 52.591 44.910-122.725 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.272 43.955-122.045 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.018 46.066-122.535 1.00 2.02 N ATOM 0 H GLN A 27 56.367 45.081-124.431 1.00 0.44 H new ATOM 0 HA GLN A 27 55.390 44.827-121.847 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.980 43.149-124.358 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.065 42.854-122.893 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.227 45.701-123.896 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.198 44.588-124.775 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.286 46.868-123.106 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.302 46.168-121.816 1.00 2.02 H new ATOM 186 N LEU A 28 57.157 42.158-122.718 1.00 0.47 N ATOM 187 CA LEU A 28 57.857 40.978-122.127 1.00 0.47 C ATOM 188 C LEU A 28 58.980 41.423-121.189 1.00 0.39 C ATOM 189 O LEU A 28 59.132 40.894-120.106 1.00 0.50 O ATOM 190 CB LEU A 28 58.449 40.127-123.254 1.00 0.50 C ATOM 191 CG LEU A 28 57.340 39.296-123.902 1.00 0.62 C ATOM 192 CD1 LEU A 28 57.882 38.611-125.158 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.856 38.233-122.912 1.00 1.21 C ATOM 0 H LEU A 28 57.242 42.251-123.730 1.00 0.47 H new ATOM 0 HA LEU A 28 57.135 40.397-121.553 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.920 40.768-123.999 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.226 39.472-122.860 1.00 0.50 H new ATOM 0 HG LEU A 28 56.509 39.948-124.173 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.092 38.019-125.619 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.229 39.366-125.863 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.713 37.959-124.887 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.066 37.640-123.372 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.687 37.582-122.642 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.470 38.719-122.016 1.00 1.21 H new ATOM 205 N TRP A 29 59.768 42.384-121.579 1.00 0.37 N ATOM 206 CA TRP A 29 60.869 42.850-120.699 1.00 0.30 C ATOM 207 C TRP A 29 60.260 43.336-119.391 1.00 0.36 C ATOM 208 O TRP A 29 60.518 42.796-118.328 1.00 0.39 O ATOM 209 CB TRP A 29 61.568 44.005-121.421 1.00 0.32 C ATOM 210 CG TRP A 29 62.763 44.483-120.667 1.00 0.29 C ATOM 211 CD1 TRP A 29 63.044 45.783-120.458 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.843 43.724-120.045 1.00 0.29 C ATOM 213 NE1 TRP A 29 64.218 45.882-119.746 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.750 44.643-119.463 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.125 42.349-119.922 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.891 44.217-118.789 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.275 41.920-119.241 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.154 42.854-118.676 1.00 0.41 C ATOM 0 H TRP A 29 59.695 42.868-122.474 1.00 0.37 H new ATOM 0 HA TRP A 29 61.585 42.056-120.485 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.871 43.682-122.417 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.867 44.829-121.553 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.444 46.615-120.795 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.642 46.765-119.462 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.453 41.622-120.354 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.568 44.939-118.356 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.484 40.864-119.152 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.036 42.516-118.152 1.00 0.41 H new ATOM 229 N GLU A 30 59.451 44.350-119.460 1.00 0.45 N ATOM 230 CA GLU A 30 58.822 44.864-118.221 1.00 0.56 C ATOM 231 C GLU A 30 58.325 43.660-117.426 1.00 0.50 C ATOM 232 O GLU A 30 58.517 43.564-116.230 1.00 0.52 O ATOM 233 CB GLU A 30 57.642 45.771-118.579 1.00 0.68 C ATOM 234 CG GLU A 30 58.143 47.199-118.801 1.00 0.86 C ATOM 235 CD GLU A 30 56.953 48.123-119.063 1.00 1.53 C ATOM 236 OE1 GLU A 30 55.850 47.616-119.184 1.00 2.33 O ATOM 237 OE2 GLU A 30 57.164 49.322-119.136 1.00 2.06 O ATOM 0 H GLU A 30 59.199 44.843-120.317 1.00 0.45 H new ATOM 0 HA GLU A 30 59.537 45.442-117.636 1.00 0.56 H new ATOM 0 HB2 GLU A 30 57.148 45.404-119.479 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.902 45.755-117.779 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.697 47.541-117.927 1.00 0.86 H new ATOM 0 HG3 GLU A 30 58.831 47.227-119.646 1.00 0.86 H new ATOM 244 N LYS A 31 57.691 42.733-118.091 1.00 0.46 N ATOM 245 CA LYS A 31 57.182 41.523-117.393 1.00 0.45 C ATOM 246 C LYS A 31 58.334 40.821-116.669 1.00 0.43 C ATOM 247 O LYS A 31 58.239 40.515-115.497 1.00 0.46 O ATOM 248 CB LYS A 31 56.567 40.568-118.419 1.00 0.44 C ATOM 249 CG LYS A 31 55.410 39.800-117.778 1.00 0.91 C ATOM 250 CD LYS A 31 54.913 38.726-118.748 1.00 0.99 C ATOM 251 CE LYS A 31 54.331 39.392-119.996 1.00 1.36 C ATOM 252 NZ LYS A 31 53.421 40.500-119.590 1.00 2.08 N ATOM 0 H LYS A 31 57.504 42.764-119.093 1.00 0.46 H new ATOM 0 HA LYS A 31 56.426 41.816-116.665 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.210 41.128-119.283 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.323 39.871-118.781 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.737 39.340-116.845 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.599 40.484-117.529 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.734 38.064-119.026 1.00 0.99 H new ATOM 0 HD3 LYS A 31 54.155 38.109-118.266 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.134 39.778-120.623 1.00 1.36 H new ATOM 0 HE3 LYS A 31 53.786 38.659-120.591 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.778 40.727-120.376 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.865 40.207-118.761 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.984 41.341-119.349 1.00 2.08 H new ATOM 266 N ALA A 32 59.421 40.554-117.346 1.00 0.41 N ATOM 267 CA ALA A 32 60.552 39.864-116.661 1.00 0.41 C ATOM 268 C ALA A 32 60.967 40.668-115.438 1.00 0.41 C ATOM 269 O ALA A 32 60.960 40.167-114.333 1.00 0.42 O ATOM 270 CB ALA A 32 61.759 39.717-117.589 1.00 0.42 C ATOM 0 H ALA A 32 59.573 40.780-118.329 1.00 0.41 H new ATOM 0 HA ALA A 32 60.215 38.869-116.370 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.566 39.210-117.059 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.476 39.132-118.464 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.097 40.704-117.906 1.00 0.42 H new ATOM 276 N GLN A 33 61.316 41.918-115.597 1.00 0.43 N ATOM 277 CA GLN A 33 61.710 42.703-114.405 1.00 0.47 C ATOM 278 C GLN A 33 60.609 42.575-113.360 1.00 0.49 C ATOM 279 O GLN A 33 60.871 42.346-112.201 1.00 0.53 O ATOM 280 CB GLN A 33 61.909 44.169-114.798 1.00 0.51 C ATOM 281 CG GLN A 33 63.126 44.287-115.723 1.00 0.53 C ATOM 282 CD GLN A 33 63.228 45.719-116.252 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.826 46.571-115.625 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.664 46.022-117.390 1.00 1.23 N ATOM 0 H GLN A 33 61.343 42.417-116.486 1.00 0.43 H new ATOM 0 HA GLN A 33 62.648 42.328-113.995 1.00 0.47 H new ATOM 0 HB2 GLN A 33 61.018 44.546-115.300 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.055 44.779-113.907 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.034 44.022-115.182 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.034 43.587-116.553 1.00 0.53 H new ATOM 0 HE21 GLN A 33 62.162 45.307-117.917 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.726 46.973-117.752 1.00 1.23 H new ATOM 293 N ARG A 34 59.374 42.687-113.768 1.00 0.49 N ATOM 294 CA ARG A 34 58.264 42.532-112.788 1.00 0.52 C ATOM 295 C ARG A 34 58.481 41.212-112.060 1.00 0.52 C ATOM 296 O ARG A 34 58.297 41.102-110.864 1.00 0.55 O ATOM 297 CB ARG A 34 56.923 42.506-113.521 1.00 0.56 C ATOM 298 CG ARG A 34 56.135 43.774-113.190 1.00 0.67 C ATOM 299 CD ARG A 34 54.702 43.636-113.708 1.00 1.59 C ATOM 300 NE ARG A 34 53.968 42.641-112.878 1.00 1.96 N ATOM 301 CZ ARG A 34 52.666 42.574-112.938 1.00 2.81 C ATOM 302 NH1 ARG A 34 52.008 43.377-113.728 1.00 3.42 N ATOM 303 NH2 ARG A 34 52.023 41.703-112.209 1.00 3.58 N ATOM 0 H ARG A 34 59.088 42.877-114.728 1.00 0.49 H new ATOM 0 HA ARG A 34 58.253 43.364-112.084 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.086 42.437-114.597 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.353 41.624-113.228 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.129 43.940-112.113 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.615 44.641-113.643 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.196 44.601-113.671 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.710 43.320-114.751 1.00 1.59 H new ATOM 0 HE ARG A 34 54.483 42.012-112.262 1.00 1.96 H new ATOM 0 HH11 ARG A 34 52.511 44.057-114.298 1.00 3.42 H new ATOM 0 HH12 ARG A 34 50.990 43.325-113.775 1.00 3.42 H new ATOM 0 HH21 ARG A 34 52.538 41.075-111.592 1.00 3.58 H new ATOM 0 HH22 ARG A 34 51.005 41.651-112.256 1.00 3.58 H new ATOM 317 N LEU A 35 58.927 40.225-112.781 1.00 0.50 N ATOM 318 CA LEU A 35 59.226 38.918-112.147 1.00 0.54 C ATOM 319 C LEU A 35 60.581 39.069-111.472 1.00 0.55 C ATOM 320 O LEU A 35 61.039 38.214-110.740 1.00 0.61 O ATOM 321 CB LEU A 35 59.296 37.820-113.211 1.00 0.57 C ATOM 322 CG LEU A 35 57.952 37.715-113.933 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.935 36.454-114.798 1.00 1.20 C ATOM 324 CD2 LEU A 35 56.825 37.639-112.901 1.00 0.84 C ATOM 0 H LEU A 35 59.097 40.269-113.786 1.00 0.50 H new ATOM 0 HA LEU A 35 58.452 38.641-111.432 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.087 38.043-113.926 1.00 0.57 H new ATOM 0 HB3 LEU A 35 59.546 36.866-112.747 1.00 0.57 H new ATOM 0 HG LEU A 35 57.809 38.591-114.565 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.977 36.379-115.313 1.00 1.20 H new ATOM 0 HD12 LEU A 35 58.739 36.506-115.533 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.077 35.577-114.166 1.00 1.20 H new ATOM 0 HD21 LEU A 35 55.866 37.564-113.414 1.00 0.84 H new ATOM 0 HD22 LEU A 35 56.968 36.762-112.270 1.00 0.84 H new ATOM 0 HD23 LEU A 35 56.837 38.537-112.283 1.00 0.84 H new ATOM 336 N HIS A 36 61.225 40.175-111.739 1.00 0.53 N ATOM 337 CA HIS A 36 62.565 40.438-111.147 1.00 0.58 C ATOM 338 C HIS A 36 63.425 39.181-111.238 1.00 0.49 C ATOM 339 O HIS A 36 63.342 38.312-110.394 1.00 1.37 O ATOM 340 CB HIS A 36 62.419 40.826-109.673 1.00 0.98 C ATOM 341 CG HIS A 36 62.209 42.309-109.559 1.00 1.43 C ATOM 342 ND1 HIS A 36 63.163 43.153-109.012 1.00 1.89 N ATOM 343 CD2 HIS A 36 61.159 43.111-109.916 1.00 1.60 C ATOM 344 CE1 HIS A 36 62.670 44.404-109.057 1.00 2.32 C ATOM 345 NE2 HIS A 36 61.450 44.436-109.600 1.00 2.17 N ATOM 0 H HIS A 36 60.874 40.913-112.349 1.00 0.53 H new ATOM 0 HA HIS A 36 63.036 41.252-111.698 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.578 40.294-109.229 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.310 40.531-109.119 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.243 42.768-110.374 1.00 1.60 H new ATOM 0 HE1 HIS A 36 63.196 45.276-108.698 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.859 45.254-109.751 1.00 2.17 H new ATOM 353 N LEU A 37 64.273 39.071-112.228 1.00 0.59 N ATOM 354 CA LEU A 37 65.142 37.870-112.313 1.00 0.43 C ATOM 355 C LEU A 37 66.568 38.311-111.977 1.00 0.44 C ATOM 356 O LEU A 37 66.945 39.431-112.260 1.00 0.42 O ATOM 357 CB LEU A 37 65.127 37.303-113.736 1.00 0.53 C ATOM 358 CG LEU A 37 63.693 37.221-114.255 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.336 38.523-114.975 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.579 36.056-115.240 1.00 0.82 C ATOM 0 H LEU A 37 64.398 39.757-112.973 1.00 0.59 H new ATOM 0 HA LEU A 37 64.786 37.103-111.625 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.724 37.935-114.394 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.582 36.313-113.746 1.00 0.53 H new ATOM 0 HG LEU A 37 63.011 37.066-113.419 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.313 38.465-115.346 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.424 39.359-114.281 1.00 0.66 H new ATOM 0 HD13 LEU A 37 64.017 38.674-115.812 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.557 35.994-115.613 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.261 36.217-116.075 1.00 0.82 H new ATOM 0 HD23 LEU A 37 63.838 35.126-114.735 1.00 0.82 H new ATOM 372 N PRO A 38 67.371 37.458-111.399 1.00 0.57 N ATOM 373 CA PRO A 38 68.766 37.844-111.077 1.00 0.66 C ATOM 374 C PRO A 38 69.431 38.490-112.286 1.00 0.58 C ATOM 375 O PRO A 38 69.169 38.106-113.400 1.00 0.52 O ATOM 376 CB PRO A 38 69.413 36.498-110.756 1.00 0.81 C ATOM 377 CG PRO A 38 68.299 35.450-110.602 1.00 0.82 C ATOM 378 CD PRO A 38 66.965 36.077-111.041 1.00 0.69 C ATOM 0 HA PRO A 38 68.848 38.569-110.268 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.100 36.208-111.551 1.00 0.81 H new ATOM 0 HB3 PRO A 38 69.998 36.567-109.839 1.00 0.81 H new ATOM 0 HG2 PRO A 38 68.521 34.572-111.208 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.236 35.115-109.567 1.00 0.82 H new ATOM 0 HD2 PRO A 38 66.526 35.549-111.888 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.226 36.065-110.240 1.00 0.69 H new ATOM 386 N PRO A 39 70.279 39.454-112.087 1.00 0.62 N ATOM 387 CA PRO A 39 70.953 40.112-113.231 1.00 0.60 C ATOM 388 C PRO A 39 71.566 39.075-114.173 1.00 0.53 C ATOM 389 O PRO A 39 71.336 39.077-115.355 1.00 0.51 O ATOM 390 CB PRO A 39 72.031 40.949-112.539 1.00 0.74 C ATOM 391 CG PRO A 39 71.794 40.901-111.020 1.00 0.81 C ATOM 392 CD PRO A 39 70.631 39.944-110.732 1.00 0.74 C ATOM 0 HA PRO A 39 70.284 40.703-113.856 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.021 40.563-112.779 1.00 0.74 H new ATOM 0 HB3 PRO A 39 71.996 41.979-112.894 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.695 40.565-110.508 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.565 41.897-110.642 1.00 0.81 H new ATOM 0 HD2 PRO A 39 70.929 39.130-110.070 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.794 40.454-110.254 1.00 0.74 H new ATOM 400 N VAL A 40 72.371 38.216-113.635 1.00 0.52 N ATOM 401 CA VAL A 40 73.052 37.181-114.463 1.00 0.47 C ATOM 402 C VAL A 40 72.016 36.479-115.344 1.00 0.41 C ATOM 403 O VAL A 40 72.140 36.404-116.561 1.00 0.37 O ATOM 404 CB VAL A 40 73.702 36.155-113.527 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.681 35.087-113.125 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.890 35.495-114.230 1.00 0.50 C ATOM 0 H VAL A 40 72.594 38.181-112.640 1.00 0.52 H new ATOM 0 HA VAL A 40 73.811 37.644-115.094 1.00 0.47 H new ATOM 0 HB VAL A 40 74.051 36.666-112.630 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.154 34.364-112.460 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.844 35.559-112.611 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.318 34.577-114.017 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.349 34.767-113.562 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.545 34.992-115.133 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.624 36.256-114.497 1.00 0.50 H new ATOM 416 N ARG A 41 70.971 36.005-114.743 1.00 0.42 N ATOM 417 CA ARG A 41 69.904 35.340-115.529 1.00 0.40 C ATOM 418 C ARG A 41 69.173 36.410-116.321 1.00 0.34 C ATOM 419 O ARG A 41 68.529 36.138-117.314 1.00 0.30 O ATOM 420 CB ARG A 41 68.927 34.630-114.587 1.00 0.46 C ATOM 421 CG ARG A 41 67.892 33.863-115.415 1.00 0.87 C ATOM 422 CD ARG A 41 66.722 33.444-114.521 1.00 1.00 C ATOM 423 NE ARG A 41 67.235 32.934-113.212 1.00 1.53 N ATOM 424 CZ ARG A 41 68.216 32.070-113.163 1.00 2.18 C ATOM 425 NH1 ARG A 41 68.692 31.551-114.259 1.00 2.54 N ATOM 426 NH2 ARG A 41 68.696 31.700-112.007 1.00 3.12 N ATOM 0 H ARG A 41 70.807 36.049-113.737 1.00 0.42 H new ATOM 0 HA ARG A 41 70.334 34.597-116.201 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.467 33.945-113.934 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.430 35.357-113.945 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.532 34.487-116.233 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.352 32.983-115.864 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.058 34.293-114.355 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.134 32.671-115.016 1.00 1.00 H new ATOM 0 HE ARG A 41 66.813 33.265-112.344 1.00 1.53 H new ATOM 0 HH11 ARG A 41 68.300 31.818-115.162 1.00 2.54 H new ATOM 0 HH12 ARG A 41 69.457 30.878-114.214 1.00 2.54 H new ATOM 0 HH21 ARG A 41 68.306 32.084-111.146 1.00 3.12 H new ATOM 0 HH22 ARG A 41 69.461 31.027-111.964 1.00 3.12 H new ATOM 440 N LEU A 42 69.273 37.635-115.884 1.00 0.35 N ATOM 441 CA LEU A 42 68.588 38.727-116.614 1.00 0.30 C ATOM 442 C LEU A 42 69.429 39.108-117.822 1.00 0.31 C ATOM 443 O LEU A 42 68.922 39.595-118.808 1.00 0.49 O ATOM 444 CB LEU A 42 68.396 39.940-115.713 1.00 0.32 C ATOM 445 CG LEU A 42 67.186 40.722-116.216 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.914 40.142-115.604 1.00 0.43 C ATOM 447 CD2 LEU A 42 67.319 42.192-115.809 1.00 0.60 C ATOM 0 H LEU A 42 69.797 37.922-115.057 1.00 0.35 H new ATOM 0 HA LEU A 42 67.604 38.384-116.935 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.243 39.626-114.681 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.287 40.568-115.726 1.00 0.32 H new ATOM 0 HG LEU A 42 67.136 40.648-117.302 1.00 0.29 H new ATOM 0 HD11 LEU A 42 65.050 40.701-115.963 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.815 39.096-115.893 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.967 40.215-114.518 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.454 42.749-116.169 1.00 0.60 H new ATOM 0 HD22 LEU A 42 67.371 42.265-114.723 1.00 0.60 H new ATOM 0 HD23 LEU A 42 68.227 42.610-116.245 1.00 0.60 H new ATOM 459 N ALA A 43 70.706 38.853-117.779 1.00 0.30 N ATOM 460 CA ALA A 43 71.556 39.153-118.948 1.00 0.30 C ATOM 461 C ALA A 43 71.277 38.034-119.932 1.00 0.29 C ATOM 462 O ALA A 43 71.272 38.206-121.127 1.00 0.28 O ATOM 463 CB ALA A 43 73.028 39.136-118.532 1.00 0.36 C ATOM 0 H ALA A 43 71.193 38.449-116.979 1.00 0.30 H new ATOM 0 HA ALA A 43 71.348 40.134-119.375 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.653 39.358-119.397 1.00 0.36 H new ATOM 0 HB2 ALA A 43 73.197 39.887-117.760 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.285 38.151-118.142 1.00 0.36 H new ATOM 469 N GLU A 44 71.018 36.880-119.399 1.00 0.30 N ATOM 470 CA GLU A 44 70.693 35.741-120.293 1.00 0.32 C ATOM 471 C GLU A 44 69.380 36.088-121.011 1.00 0.30 C ATOM 472 O GLU A 44 69.335 36.228-122.218 1.00 0.34 O ATOM 473 CB GLU A 44 70.524 34.461-119.471 1.00 0.37 C ATOM 474 CG GLU A 44 70.613 33.246-120.395 1.00 1.15 C ATOM 475 CD GLU A 44 69.642 32.166-119.912 1.00 2.05 C ATOM 476 OE1 GLU A 44 69.819 31.691-118.803 1.00 2.80 O ATOM 477 OE2 GLU A 44 68.737 31.833-120.661 1.00 2.92 O ATOM 0 H GLU A 44 71.016 36.676-118.400 1.00 0.30 H new ATOM 0 HA GLU A 44 71.493 35.572-121.014 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.296 34.405-118.703 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.563 34.471-118.957 1.00 0.37 H new ATOM 0 HG2 GLU A 44 70.372 33.535-121.418 1.00 1.15 H new ATOM 0 HG3 GLU A 44 71.631 32.857-120.405 1.00 1.15 H new ATOM 484 N LEU A 45 68.312 36.213-120.270 1.00 0.28 N ATOM 485 CA LEU A 45 66.980 36.538-120.881 1.00 0.29 C ATOM 486 C LEU A 45 66.997 37.926-121.545 1.00 0.24 C ATOM 487 O LEU A 45 66.383 38.133-122.572 1.00 0.25 O ATOM 488 CB LEU A 45 65.911 36.519-119.783 1.00 0.34 C ATOM 489 CG LEU A 45 64.560 36.962-120.359 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.709 35.732-120.678 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.831 37.827-119.329 1.00 0.77 C ATOM 0 H LEU A 45 68.301 36.104-119.256 1.00 0.28 H new ATOM 0 HA LEU A 45 66.758 35.794-121.646 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.826 35.516-119.364 1.00 0.34 H new ATOM 0 HB3 LEU A 45 66.203 37.181-118.968 1.00 0.34 H new ATOM 0 HG LEU A 45 64.725 37.535-121.271 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.750 36.049-121.087 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.227 35.111-121.408 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.543 35.158-119.766 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.870 38.144-119.735 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.668 37.250-118.419 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.435 38.705-119.098 1.00 0.77 H new ATOM 503 N HIS A 46 67.701 38.869-120.983 1.00 0.21 N ATOM 504 CA HIS A 46 67.749 40.225-121.609 1.00 0.20 C ATOM 505 C HIS A 46 68.649 40.176-122.844 1.00 0.19 C ATOM 506 O HIS A 46 68.283 40.615-123.917 1.00 0.21 O ATOM 507 CB HIS A 46 68.309 41.243-120.614 1.00 0.23 C ATOM 508 CG HIS A 46 68.245 42.621-121.218 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.376 43.280-121.673 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.195 43.476-121.450 1.00 0.27 C ATOM 511 CE1 HIS A 46 68.985 44.475-122.152 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.665 44.645-122.040 1.00 0.31 N ATOM 0 H HIS A 46 68.242 38.764-120.125 1.00 0.21 H new ATOM 0 HA HIS A 46 66.741 40.524-121.895 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.737 41.214-119.686 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.339 40.992-120.361 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.162 43.272-121.211 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.657 45.207-122.575 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.119 45.458-122.326 1.00 0.31 H new ATOM 520 N ALA A 47 69.826 39.641-122.694 1.00 0.19 N ATOM 521 CA ALA A 47 70.770 39.547-123.841 1.00 0.22 C ATOM 522 C ALA A 47 70.073 38.856-125.006 1.00 0.21 C ATOM 523 O ALA A 47 69.948 39.402-126.083 1.00 0.22 O ATOM 524 CB ALA A 47 71.991 38.721-123.425 1.00 0.27 C ATOM 0 H ALA A 47 70.179 39.260-121.816 1.00 0.19 H new ATOM 0 HA ALA A 47 71.087 40.546-124.139 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.685 38.650-124.263 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.487 39.204-122.583 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.671 37.721-123.133 1.00 0.27 H new ATOM 530 N ASP A 48 69.612 37.659-124.792 1.00 0.22 N ATOM 531 CA ASP A 48 68.915 36.929-125.883 1.00 0.25 C ATOM 532 C ASP A 48 67.714 37.755-126.336 1.00 0.22 C ATOM 533 O ASP A 48 67.502 37.970-127.513 1.00 0.25 O ATOM 534 CB ASP A 48 68.440 35.567-125.371 1.00 0.28 C ATOM 535 CG ASP A 48 69.652 34.712-124.997 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.750 35.068-125.393 1.00 0.84 O ATOM 537 OD2 ASP A 48 69.462 33.715-124.320 1.00 0.94 O ATOM 0 H ASP A 48 69.687 37.154-123.909 1.00 0.22 H new ATOM 0 HA ASP A 48 69.596 36.775-126.720 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.793 35.698-124.504 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.849 35.064-126.137 1.00 0.28 H new ATOM 542 N LEU A 49 66.930 38.231-125.408 1.00 0.19 N ATOM 543 CA LEU A 49 65.755 39.050-125.798 1.00 0.19 C ATOM 544 C LEU A 49 66.221 40.137-126.767 1.00 0.18 C ATOM 545 O LEU A 49 65.541 40.466-127.717 1.00 0.19 O ATOM 546 CB LEU A 49 65.119 39.685-124.558 1.00 0.18 C ATOM 547 CG LEU A 49 64.056 38.738-123.994 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.376 39.393-122.791 1.00 1.06 C ATOM 549 CD2 LEU A 49 63.007 38.443-125.071 1.00 0.89 C ATOM 0 H LEU A 49 67.053 38.088-124.406 1.00 0.19 H new ATOM 0 HA LEU A 49 65.007 38.420-126.280 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.882 39.884-123.805 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.669 40.643-124.816 1.00 0.18 H new ATOM 0 HG LEU A 49 64.530 37.807-123.684 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.619 38.719-122.389 1.00 1.06 H new ATOM 0 HD12 LEU A 49 64.120 39.603-122.022 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.904 40.325-123.103 1.00 1.06 H new ATOM 0 HD21 LEU A 49 62.251 37.769-124.668 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.534 39.374-125.383 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.489 37.976-125.930 1.00 0.89 H new ATOM 561 N LYS A 50 67.391 40.682-126.552 1.00 0.20 N ATOM 562 CA LYS A 50 67.897 41.723-127.489 1.00 0.21 C ATOM 563 C LYS A 50 68.214 41.041-128.817 1.00 0.23 C ATOM 564 O LYS A 50 67.689 41.390-129.849 1.00 0.24 O ATOM 565 CB LYS A 50 69.169 42.359-126.923 1.00 0.24 C ATOM 566 CG LYS A 50 68.825 43.168-125.669 1.00 0.36 C ATOM 567 CD LYS A 50 69.225 44.631-125.872 1.00 0.84 C ATOM 568 CE LYS A 50 70.714 44.803-125.564 1.00 1.09 C ATOM 569 NZ LYS A 50 71.508 43.878-126.422 1.00 1.84 N ATOM 0 H LYS A 50 68.011 40.452-125.775 1.00 0.20 H new ATOM 0 HA LYS A 50 67.149 42.504-127.627 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.897 41.585-126.680 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.628 43.006-127.671 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.757 43.099-125.462 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.345 42.755-124.805 1.00 0.36 H new ATOM 0 HD2 LYS A 50 69.018 44.936-126.898 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.632 45.274-125.222 1.00 0.84 H new ATOM 0 HE2 LYS A 50 71.017 45.834-125.745 1.00 1.09 H new ATOM 0 HE3 LYS A 50 70.905 44.594-124.511 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.496 44.202-126.460 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 71.474 42.918-126.023 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 71.110 43.868-127.383 1.00 1.84 H new ATOM 583 N ILE A 51 69.066 40.061-128.789 1.00 0.25 N ATOM 584 CA ILE A 51 69.394 39.367-130.061 1.00 0.27 C ATOM 585 C ILE A 51 68.069 39.158-130.790 1.00 0.26 C ATOM 586 O ILE A 51 67.841 39.678-131.880 1.00 0.25 O ATOM 587 CB ILE A 51 70.045 38.013-129.770 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.551 38.205-129.584 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.794 37.062-130.940 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.799 39.167-128.422 1.00 0.30 C ATOM 0 H ILE A 51 69.543 39.714-127.957 1.00 0.25 H new ATOM 0 HA ILE A 51 70.093 39.951-130.660 1.00 0.27 H new ATOM 0 HB ILE A 51 69.615 37.590-128.862 1.00 0.33 H new ATOM 0 HG12 ILE A 51 72.030 37.246-129.385 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.994 38.599-130.498 1.00 0.36 H new ATOM 0 HG21 ILE A 51 70.258 36.098-130.731 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.721 36.926-131.075 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.224 37.482-131.849 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.872 39.306-128.287 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.333 40.128-128.640 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.369 38.754-127.510 1.00 0.30 H new ATOM 602 N GLN A 52 67.164 38.444-130.181 1.00 0.26 N ATOM 603 CA GLN A 52 65.845 38.250-130.818 1.00 0.27 C ATOM 604 C GLN A 52 65.283 39.628-131.156 1.00 0.24 C ATOM 605 O GLN A 52 64.548 39.784-132.102 1.00 0.26 O ATOM 606 CB GLN A 52 64.906 37.533-129.846 1.00 0.32 C ATOM 607 CG GLN A 52 63.814 36.808-130.635 1.00 0.45 C ATOM 608 CD GLN A 52 64.456 35.751-131.535 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.916 34.732-131.061 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.511 35.954-132.822 1.00 0.48 N ATOM 0 H GLN A 52 67.285 37.991-129.275 1.00 0.26 H new ATOM 0 HA GLN A 52 65.940 37.646-131.720 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.466 36.821-129.241 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.458 38.251-129.160 1.00 0.32 H new ATOM 0 HG2 GLN A 52 63.107 36.339-129.951 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.251 37.521-131.237 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.125 36.810-133.220 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.940 35.257-133.430 1.00 0.48 H new ATOM 619 N GLU A 53 65.631 40.635-130.388 1.00 0.23 N ATOM 620 CA GLU A 53 65.113 41.998-130.693 1.00 0.23 C ATOM 621 C GLU A 53 65.695 42.464-132.020 1.00 0.20 C ATOM 622 O GLU A 53 64.976 42.858-132.908 1.00 0.21 O ATOM 623 CB GLU A 53 65.510 42.998-129.610 1.00 0.25 C ATOM 624 CG GLU A 53 64.981 44.381-130.004 1.00 0.28 C ATOM 625 CD GLU A 53 66.150 45.353-130.178 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.264 44.888-130.354 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.910 46.549-130.135 1.00 1.09 O ATOM 0 H GLU A 53 66.243 40.569-129.575 1.00 0.23 H new ATOM 0 HA GLU A 53 64.025 41.947-130.740 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.099 42.696-128.647 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.594 43.025-129.499 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.412 44.312-130.931 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.299 44.751-129.238 1.00 0.28 H new ATOM 634 N ARG A 54 66.988 42.410-132.185 1.00 0.22 N ATOM 635 CA ARG A 54 67.577 42.840-133.476 1.00 0.22 C ATOM 636 C ARG A 54 66.841 42.124-134.593 1.00 0.20 C ATOM 637 O ARG A 54 66.641 42.650-135.672 1.00 0.21 O ATOM 638 CB ARG A 54 69.048 42.440-133.513 1.00 0.24 C ATOM 639 CG ARG A 54 69.858 43.405-132.652 1.00 0.27 C ATOM 640 CD ARG A 54 71.271 43.541-133.222 1.00 0.85 C ATOM 641 NE ARG A 54 71.196 44.014-134.633 1.00 1.55 N ATOM 642 CZ ARG A 54 72.262 44.482-135.222 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.394 44.537-134.574 1.00 2.40 N ATOM 644 NH2 ARG A 54 72.198 44.895-136.458 1.00 3.03 N ATOM 0 H ARG A 54 67.656 42.088-131.484 1.00 0.22 H new ATOM 0 HA ARG A 54 67.490 43.920-133.592 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.168 41.420-133.147 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.415 42.456-134.539 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.371 44.380-132.624 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.903 43.042-131.625 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.850 44.243-132.622 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.787 42.582-133.176 1.00 0.85 H new ATOM 0 HE ARG A 54 70.311 43.972-135.139 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.445 44.214-133.608 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.228 44.903-135.034 1.00 2.40 H new ATOM 0 HH21 ARG A 54 71.314 44.852-136.965 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.032 45.261-136.917 1.00 3.03 H new ATOM 658 N ASP A 55 66.409 40.930-134.321 1.00 0.20 N ATOM 659 CA ASP A 55 65.655 40.164-135.352 1.00 0.21 C ATOM 660 C ASP A 55 64.188 40.620-135.359 1.00 0.21 C ATOM 661 O ASP A 55 63.549 40.690-136.397 1.00 0.20 O ATOM 662 CB ASP A 55 65.724 38.670-135.031 1.00 0.25 C ATOM 663 CG ASP A 55 67.166 38.180-135.186 1.00 0.29 C ATOM 664 OD1 ASP A 55 67.958 38.907-135.760 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.450 37.085-134.728 1.00 0.94 O ATOM 0 H ASP A 55 66.543 40.449-133.432 1.00 0.20 H new ATOM 0 HA ASP A 55 66.096 40.345-136.332 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.375 38.489-134.014 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.066 38.113-135.698 1.00 0.25 H new ATOM 670 N GLU A 56 63.652 40.969-134.219 1.00 0.27 N ATOM 671 CA GLU A 56 62.243 41.438-134.179 1.00 0.32 C ATOM 672 C GLU A 56 62.172 42.785-134.871 1.00 0.30 C ATOM 673 O GLU A 56 61.370 42.996-135.752 1.00 0.31 O ATOM 674 CB GLU A 56 61.777 41.575-132.728 1.00 0.39 C ATOM 675 CG GLU A 56 61.683 40.189-132.089 1.00 0.44 C ATOM 676 CD GLU A 56 60.280 39.620-132.309 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.506 40.257-133.004 1.00 1.39 O ATOM 678 OE2 GLU A 56 60.003 38.556-131.779 1.00 1.72 O ATOM 0 H GLU A 56 64.130 40.948-133.318 1.00 0.27 H new ATOM 0 HA GLU A 56 61.596 40.720-134.683 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.474 42.199-132.168 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.807 42.070-132.692 1.00 0.39 H new ATOM 0 HG2 GLU A 56 62.429 39.524-132.525 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.898 40.253-131.022 1.00 0.44 H new ATOM 685 N LEU A 57 63.032 43.690-134.506 1.00 0.30 N ATOM 686 CA LEU A 57 63.035 45.006-135.177 1.00 0.32 C ATOM 687 C LEU A 57 63.310 44.757-136.655 1.00 0.28 C ATOM 688 O LEU A 57 62.598 45.225-137.520 1.00 0.29 O ATOM 689 CB LEU A 57 64.140 45.893-134.589 1.00 0.36 C ATOM 690 CG LEU A 57 63.606 46.644-133.367 1.00 0.50 C ATOM 691 CD1 LEU A 57 62.716 45.715-132.541 1.00 1.08 C ATOM 692 CD2 LEU A 57 64.782 47.118-132.509 1.00 1.22 C ATOM 0 H LEU A 57 63.731 43.571-133.772 1.00 0.30 H new ATOM 0 HA LEU A 57 62.080 45.512-135.036 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.997 45.282-134.306 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.488 46.602-135.340 1.00 0.36 H new ATOM 0 HG LEU A 57 63.023 47.504-133.697 1.00 0.50 H new ATOM 0 HD11 LEU A 57 62.337 46.252-131.672 1.00 1.08 H new ATOM 0 HD12 LEU A 57 61.879 45.376-133.151 1.00 1.08 H new ATOM 0 HD13 LEU A 57 63.297 44.854-132.211 1.00 1.08 H new ATOM 0 HD21 LEU A 57 64.404 47.653-131.638 1.00 1.22 H new ATOM 0 HD22 LEU A 57 65.364 46.256-132.181 1.00 1.22 H new ATOM 0 HD23 LEU A 57 65.416 47.782-133.096 1.00 1.22 H new ATOM 704 N ALA A 58 64.324 43.987-136.956 1.00 0.25 N ATOM 705 CA ALA A 58 64.607 43.685-138.380 1.00 0.24 C ATOM 706 C ALA A 58 63.315 43.174-139.010 1.00 0.21 C ATOM 707 O ALA A 58 63.089 43.313-140.196 1.00 0.21 O ATOM 708 CB ALA A 58 65.691 42.608-138.476 1.00 0.24 C ATOM 0 H ALA A 58 64.959 43.561-136.281 1.00 0.25 H new ATOM 0 HA ALA A 58 64.959 44.577-138.898 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.895 42.390-139.524 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.602 42.965-137.995 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.349 41.702-137.977 1.00 0.24 H new ATOM 714 N TRP A 59 62.451 42.599-138.213 1.00 0.19 N ATOM 715 CA TRP A 59 61.167 42.104-138.775 1.00 0.18 C ATOM 716 C TRP A 59 60.151 43.250-138.858 1.00 0.20 C ATOM 717 O TRP A 59 59.550 43.473-139.890 1.00 0.30 O ATOM 718 CB TRP A 59 60.586 40.979-137.927 1.00 0.19 C ATOM 719 CG TRP A 59 59.358 40.489-138.619 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.334 39.529-139.571 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.985 40.934-138.450 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.038 39.373-140.017 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.164 40.211-139.346 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.378 41.889-137.615 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.788 40.429-139.411 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.993 42.109-137.675 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.200 41.381-138.572 1.00 0.39 C ATOM 0 H TRP A 59 62.579 42.454-137.212 1.00 0.19 H new ATOM 0 HA TRP A 59 61.371 41.716-139.773 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.310 40.172-137.812 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.346 41.337-136.926 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.191 38.974-139.925 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.758 38.721-140.750 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.982 42.457-136.923 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.181 39.866-140.105 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.537 42.843-137.027 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.135 41.555-138.615 1.00 0.39 H new ATOM 738 N LYS A 60 59.957 43.988-137.795 1.00 0.27 N ATOM 739 CA LYS A 60 58.981 45.110-137.877 1.00 0.30 C ATOM 740 C LYS A 60 59.244 45.799-139.211 1.00 0.29 C ATOM 741 O LYS A 60 58.345 46.207-139.925 1.00 0.31 O ATOM 742 CB LYS A 60 59.192 46.098-136.724 1.00 0.38 C ATOM 743 CG LYS A 60 60.286 47.103-137.097 1.00 0.42 C ATOM 744 CD LYS A 60 60.750 47.846-135.844 1.00 1.08 C ATOM 745 CE LYS A 60 59.817 49.029-135.577 1.00 1.53 C ATOM 746 NZ LYS A 60 59.967 50.037-136.665 1.00 2.27 N ATOM 0 H LYS A 60 60.421 43.866-136.895 1.00 0.27 H new ATOM 0 HA LYS A 60 57.956 44.746-137.805 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.262 46.623-136.508 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.473 45.560-135.818 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.128 46.585-137.557 1.00 0.42 H new ATOM 0 HG3 LYS A 60 59.907 47.812-137.833 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.753 47.171-134.988 1.00 1.08 H new ATOM 0 HD3 LYS A 60 61.773 48.198-135.975 1.00 1.08 H new ATOM 0 HE2 LYS A 60 58.784 48.686-135.525 1.00 1.53 H new ATOM 0 HE3 LYS A 60 60.052 49.481-134.613 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 59.794 50.989-136.283 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 60.931 49.989-137.052 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 59.281 49.837-137.420 1.00 2.27 H new ATOM 760 N LYS A 61 60.496 45.888-139.558 1.00 0.28 N ATOM 761 CA LYS A 61 60.866 46.507-140.852 1.00 0.30 C ATOM 762 C LYS A 61 60.510 45.534-141.976 1.00 0.27 C ATOM 763 O LYS A 61 59.881 45.904-142.936 1.00 0.35 O ATOM 764 CB LYS A 61 62.363 46.809-140.888 1.00 0.35 C ATOM 765 CG LYS A 61 62.779 47.498-139.588 1.00 0.40 C ATOM 766 CD LYS A 61 63.759 48.630-139.902 1.00 0.77 C ATOM 767 CE LYS A 61 64.195 49.305-138.601 1.00 1.42 C ATOM 768 NZ LYS A 61 65.484 50.018-138.820 1.00 2.43 N ATOM 0 H LYS A 61 61.280 45.556-138.996 1.00 0.28 H new ATOM 0 HA LYS A 61 60.322 47.443-140.977 1.00 0.30 H new ATOM 0 HB2 LYS A 61 62.927 45.886-141.019 1.00 0.35 H new ATOM 0 HB3 LYS A 61 62.595 47.448-141.740 1.00 0.35 H new ATOM 0 HG2 LYS A 61 61.901 47.894-139.077 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.243 46.778-138.914 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.628 48.237-140.429 1.00 0.77 H new ATOM 0 HD3 LYS A 61 63.289 49.359-140.562 1.00 0.77 H new ATOM 0 HE2 LYS A 61 63.430 50.007-138.269 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.308 48.561-137.813 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 65.781 50.477-137.936 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.211 49.337-139.118 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 65.361 50.738-139.560 1.00 2.43 H new ATOM 782 N LEU A 62 60.903 44.290-141.877 1.00 0.24 N ATOM 783 CA LEU A 62 60.567 43.335-142.967 1.00 0.24 C ATOM 784 C LEU A 62 59.106 43.527-143.342 1.00 0.24 C ATOM 785 O LEU A 62 58.770 43.883-144.454 1.00 0.26 O ATOM 786 CB LEU A 62 60.737 41.896-142.471 1.00 0.24 C ATOM 787 CG LEU A 62 62.211 41.488-142.501 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.462 40.419-141.437 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.547 40.910-143.874 1.00 0.41 C ATOM 0 H LEU A 62 61.435 43.901-141.098 1.00 0.24 H new ATOM 0 HA LEU A 62 61.223 43.515-143.819 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.350 41.807-141.456 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.154 41.219-143.095 1.00 0.24 H new ATOM 0 HG LEU A 62 62.834 42.360-142.304 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.512 40.126-141.456 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.215 40.819-140.454 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.839 39.548-141.642 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.597 40.618-143.899 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.923 40.037-144.064 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.361 41.662-144.641 1.00 0.41 H new ATOM 801 N LYS A 63 58.236 43.260-142.414 1.00 0.24 N ATOM 802 CA LYS A 63 56.780 43.386-142.695 1.00 0.26 C ATOM 803 C LYS A 63 56.448 44.809-143.152 1.00 0.29 C ATOM 804 O LYS A 63 55.626 45.008-144.025 1.00 0.30 O ATOM 805 CB LYS A 63 55.978 43.048-141.436 1.00 0.34 C ATOM 806 CG LYS A 63 56.441 43.925-140.273 1.00 0.46 C ATOM 807 CD LYS A 63 55.231 44.330-139.428 1.00 0.41 C ATOM 808 CE LYS A 63 54.608 45.604-140.002 1.00 0.58 C ATOM 809 NZ LYS A 63 53.124 45.461-140.032 1.00 1.20 N ATOM 0 H LYS A 63 58.470 42.958-141.468 1.00 0.24 H new ATOM 0 HA LYS A 63 56.515 42.690-143.491 1.00 0.26 H new ATOM 0 HB2 LYS A 63 54.915 43.203-141.619 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.108 41.996-141.183 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.162 43.384-139.660 1.00 0.46 H new ATOM 0 HG3 LYS A 63 56.947 44.813-140.652 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.495 43.526-139.419 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.535 44.496-138.395 1.00 0.41 H new ATOM 0 HE2 LYS A 63 54.889 46.465-139.395 1.00 0.58 H new ATOM 0 HE3 LYS A 63 54.987 45.786-141.008 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 52.700 46.327-140.422 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 52.865 44.649-140.629 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 52.770 45.307-139.066 1.00 1.20 H new ATOM 823 N LEU A 64 57.072 45.805-142.580 1.00 0.33 N ATOM 824 CA LEU A 64 56.783 47.208-142.993 1.00 0.43 C ATOM 825 C LEU A 64 57.195 47.430-144.452 1.00 0.52 C ATOM 826 O LEU A 64 56.437 47.929-145.259 1.00 0.75 O ATOM 827 CB LEU A 64 57.586 48.144-142.085 1.00 0.38 C ATOM 828 CG LEU A 64 56.774 48.463-140.829 1.00 0.50 C ATOM 829 CD1 LEU A 64 57.600 49.352-139.897 1.00 1.10 C ATOM 830 CD2 LEU A 64 55.491 49.196-141.223 1.00 1.23 C ATOM 0 H LEU A 64 57.770 45.706-141.843 1.00 0.33 H new ATOM 0 HA LEU A 64 55.715 47.408-142.904 1.00 0.43 H new ATOM 0 HB2 LEU A 64 58.532 47.677-141.810 1.00 0.38 H new ATOM 0 HB3 LEU A 64 57.828 49.064-142.617 1.00 0.38 H new ATOM 0 HG LEU A 64 56.521 47.535-140.317 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.020 49.579-139.002 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.515 48.832-139.614 1.00 1.10 H new ATOM 0 HD13 LEU A 64 57.854 50.280-140.410 1.00 1.10 H new ATOM 0 HD21 LEU A 64 54.912 49.423-140.328 1.00 1.23 H new ATOM 0 HD22 LEU A 64 55.745 50.124-141.736 1.00 1.23 H new ATOM 0 HD23 LEU A 64 54.900 48.564-141.886 1.00 1.23 H new ATOM 842 N ASP A 65 58.398 47.069-144.779 1.00 0.45 N ATOM 843 CA ASP A 65 58.896 47.256-146.168 1.00 0.60 C ATOM 844 C ASP A 65 58.337 46.164-147.081 1.00 0.96 C ATOM 845 O ASP A 65 58.532 46.197-148.281 1.00 0.98 O ATOM 846 CB ASP A 65 60.424 47.188-146.171 1.00 0.53 C ATOM 847 CG ASP A 65 60.992 48.459-145.539 1.00 0.53 C ATOM 848 OD1 ASP A 65 60.204 49.288-145.112 1.00 1.14 O ATOM 849 OD2 ASP A 65 62.205 48.584-145.492 1.00 1.31 O ATOM 0 H ASP A 65 59.068 46.647-144.136 1.00 0.45 H new ATOM 0 HA ASP A 65 58.568 48.228-146.536 1.00 0.60 H new ATOM 0 HB2 ASP A 65 60.761 46.312-145.617 1.00 0.53 H new ATOM 0 HB3 ASP A 65 60.792 47.081-147.191 1.00 0.53 H new ATOM 854 N GLY A 66 57.642 45.197-146.542 1.00 1.30 N ATOM 855 CA GLY A 66 57.082 44.122-147.407 1.00 1.72 C ATOM 856 C GLY A 66 58.183 43.129-147.785 1.00 0.91 C ATOM 857 O GLY A 66 58.472 42.928-148.947 1.00 1.14 O ATOM 0 H GLY A 66 57.440 45.107-145.546 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.278 43.605-146.884 1.00 1.72 H new ATOM 0 HA3 GLY A 66 56.648 44.557-148.307 1.00 1.72 H new ATOM 861 N LEU A 67 58.800 42.501-146.819 1.00 0.37 N ATOM 862 CA LEU A 67 59.873 41.525-147.147 1.00 1.03 C ATOM 863 C LEU A 67 59.357 40.103-146.936 1.00 0.91 C ATOM 864 O LEU A 67 59.582 39.230-147.750 1.00 1.09 O ATOM 865 CB LEU A 67 61.085 41.771-146.256 1.00 1.69 C ATOM 866 CG LEU A 67 61.893 42.952-146.800 1.00 1.79 C ATOM 867 CD1 LEU A 67 62.633 42.522-148.069 1.00 2.52 C ATOM 868 CD2 LEU A 67 60.948 44.108-147.132 1.00 2.68 C ATOM 0 H LEU A 67 58.607 42.622-145.825 1.00 0.37 H new ATOM 0 HA LEU A 67 60.165 41.650-148.190 1.00 1.03 H new ATOM 0 HB2 LEU A 67 60.762 41.978-145.236 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.708 40.878-146.219 1.00 1.69 H new ATOM 0 HG LEU A 67 62.613 43.275-146.048 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.209 43.362-148.457 1.00 2.52 H new ATOM 0 HD12 LEU A 67 63.307 41.698-147.836 1.00 2.52 H new ATOM 0 HD13 LEU A 67 61.911 42.199-148.819 1.00 2.52 H new ATOM 0 HD21 LEU A 67 61.524 44.949-147.519 1.00 2.68 H new ATOM 0 HD22 LEU A 67 60.228 43.785-147.883 1.00 2.68 H new ATOM 0 HD23 LEU A 67 60.418 44.416-146.230 1.00 2.68 H new ATOM 880 N ASP A 68 58.596 39.874-145.899 1.00 0.69 N ATOM 881 CA ASP A 68 57.980 38.537-145.680 1.00 0.59 C ATOM 882 C ASP A 68 56.484 38.741-145.890 1.00 0.59 C ATOM 883 O ASP A 68 55.841 39.350-145.057 1.00 0.59 O ATOM 884 CB ASP A 68 58.249 38.079-144.237 1.00 0.53 C ATOM 885 CG ASP A 68 58.178 36.553-144.165 1.00 0.64 C ATOM 886 OD1 ASP A 68 58.373 35.921-145.191 1.00 1.19 O ATOM 887 OD2 ASP A 68 57.930 36.041-143.086 1.00 0.97 O ATOM 0 H ASP A 68 58.373 40.568-145.186 1.00 0.69 H new ATOM 0 HA ASP A 68 58.384 37.781-146.353 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.231 38.424-143.912 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.516 38.520-143.561 1.00 0.53 H new ATOM 892 N GLU A 69 55.894 38.319-146.975 1.00 0.63 N ATOM 893 CA GLU A 69 54.447 38.606-147.146 1.00 0.69 C ATOM 894 C GLU A 69 53.576 37.621-146.370 1.00 0.71 C ATOM 895 O GLU A 69 52.369 37.752-146.365 1.00 0.77 O ATOM 896 CB GLU A 69 54.091 38.525-148.631 1.00 0.73 C ATOM 897 CG GLU A 69 53.820 37.069-149.013 1.00 0.75 C ATOM 898 CD GLU A 69 53.745 36.946-150.536 1.00 1.36 C ATOM 899 OE1 GLU A 69 53.472 37.946-151.179 1.00 2.06 O ATOM 900 OE2 GLU A 69 53.962 35.853-151.033 1.00 1.82 O ATOM 0 H GLU A 69 56.340 37.801-147.732 1.00 0.63 H new ATOM 0 HA GLU A 69 54.255 39.606-146.756 1.00 0.69 H new ATOM 0 HB2 GLU A 69 53.213 39.136-148.839 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.907 38.924-149.234 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.610 36.427-148.624 1.00 0.75 H new ATOM 0 HG3 GLU A 69 52.886 36.732-148.564 1.00 0.75 H new ATOM 907 N ASP A 70 54.132 36.647-145.698 1.00 0.72 N ATOM 908 CA ASP A 70 53.261 35.711-144.934 1.00 0.78 C ATOM 909 C ASP A 70 53.646 35.812-143.460 1.00 0.69 C ATOM 910 O ASP A 70 53.191 35.055-142.624 1.00 0.84 O ATOM 911 CB ASP A 70 53.482 34.280-145.429 1.00 0.83 C ATOM 912 CG ASP A 70 52.846 34.114-146.811 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.002 34.926-147.153 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.214 33.178-147.502 1.00 1.34 O ATOM 0 H ASP A 70 55.134 36.462-145.646 1.00 0.72 H new ATOM 0 HA ASP A 70 52.211 35.968-145.072 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.549 34.062-145.479 1.00 0.83 H new ATOM 0 HB3 ASP A 70 53.044 33.570-144.728 1.00 0.83 H new ATOM 919 N GLY A 71 54.476 36.767-143.147 1.00 0.50 N ATOM 920 CA GLY A 71 54.906 36.970-141.737 1.00 0.43 C ATOM 921 C GLY A 71 55.634 35.733-141.202 1.00 0.34 C ATOM 922 O GLY A 71 55.673 35.509-140.009 1.00 0.31 O ATOM 0 H GLY A 71 54.879 37.423-143.816 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.562 37.838-141.675 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.037 37.182-141.115 1.00 0.43 H new ATOM 926 N GLU A 72 56.227 34.928-142.049 1.00 0.36 N ATOM 927 CA GLU A 72 56.946 33.737-141.511 1.00 0.34 C ATOM 928 C GLU A 72 58.143 34.236-140.703 1.00 0.30 C ATOM 929 O GLU A 72 58.331 33.876-139.560 1.00 0.30 O ATOM 930 CB GLU A 72 57.432 32.861-142.668 1.00 0.40 C ATOM 931 CG GLU A 72 58.077 31.590-142.110 1.00 1.23 C ATOM 932 CD GLU A 72 58.687 30.782-143.256 1.00 1.97 C ATOM 933 OE1 GLU A 72 58.519 31.186-144.395 1.00 2.68 O ATOM 934 OE2 GLU A 72 59.311 29.771-142.976 1.00 2.64 O ATOM 0 H GLU A 72 56.244 35.040-143.063 1.00 0.36 H new ATOM 0 HA GLU A 72 56.283 33.145-140.881 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.596 32.602-143.318 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.151 33.410-143.276 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.847 31.849-141.383 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.332 30.992-141.585 1.00 1.23 H new ATOM 941 N LYS A 73 58.948 35.077-141.288 1.00 0.31 N ATOM 942 CA LYS A 73 60.120 35.608-140.541 1.00 0.33 C ATOM 943 C LYS A 73 59.620 36.033-139.161 1.00 0.29 C ATOM 944 O LYS A 73 60.328 35.976-138.165 1.00 0.29 O ATOM 945 CB LYS A 73 60.701 36.810-141.290 1.00 0.38 C ATOM 946 CG LYS A 73 61.204 36.359-142.662 1.00 0.55 C ATOM 947 CD LYS A 73 61.961 37.506-143.334 1.00 1.07 C ATOM 948 CE LYS A 73 63.455 37.378-143.031 1.00 1.38 C ATOM 949 NZ LYS A 73 63.671 37.458-141.559 1.00 2.36 N ATOM 0 H LYS A 73 58.846 35.418-142.244 1.00 0.31 H new ATOM 0 HA LYS A 73 60.903 34.856-140.447 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.941 37.583-141.405 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.518 37.249-140.717 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.857 35.493-142.554 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.364 36.050-143.285 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.794 37.484-144.411 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.587 38.464-142.973 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.835 36.431-143.414 1.00 1.38 H new ATOM 0 HE3 LYS A 73 64.008 38.171-143.534 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.661 37.710-141.367 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.044 38.183-141.155 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.458 36.536-141.126 1.00 2.36 H new ATOM 963 N GLU A 74 58.361 36.361-139.089 1.00 0.28 N ATOM 964 CA GLU A 74 57.749 36.703-137.784 1.00 0.28 C ATOM 965 C GLU A 74 57.472 35.369-137.107 1.00 0.26 C ATOM 966 O GLU A 74 57.658 35.188-135.937 1.00 0.27 O ATOM 967 CB GLU A 74 56.434 37.447-138.008 1.00 0.31 C ATOM 968 CG GLU A 74 56.132 38.311-136.788 1.00 0.37 C ATOM 969 CD GLU A 74 54.645 38.212-136.442 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.876 37.855-137.320 1.00 1.11 O ATOM 971 OE2 GLU A 74 54.301 38.495-135.307 1.00 1.14 O ATOM 0 H GLU A 74 57.728 36.406-139.887 1.00 0.28 H new ATOM 0 HA GLU A 74 58.397 37.342-137.184 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.502 38.069-138.901 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.624 36.737-138.175 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.735 37.984-135.941 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.400 39.348-136.989 1.00 0.37 H new ATOM 978 N ALA A 75 57.049 34.436-137.897 1.00 0.25 N ATOM 979 CA ALA A 75 56.783 33.079-137.360 1.00 0.27 C ATOM 980 C ALA A 75 58.061 32.641-136.672 1.00 0.26 C ATOM 981 O ALA A 75 58.103 32.482-135.470 1.00 0.27 O ATOM 982 CB ALA A 75 56.418 32.108-138.486 1.00 0.30 C ATOM 0 H ALA A 75 56.874 34.551-138.895 1.00 0.25 H new ATOM 0 HA ALA A 75 55.941 33.088-136.668 1.00 0.27 H new ATOM 0 HB1 ALA A 75 56.228 31.120-138.067 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.524 32.464-138.998 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.243 32.048-139.196 1.00 0.30 H new ATOM 988 N ARG A 76 59.111 32.451-137.410 1.00 0.28 N ATOM 989 CA ARG A 76 60.378 32.030-136.763 1.00 0.31 C ATOM 990 C ARG A 76 60.602 32.891-135.526 1.00 0.28 C ATOM 991 O ARG A 76 60.894 32.394-134.458 1.00 0.30 O ATOM 992 CB ARG A 76 61.544 32.212-137.738 1.00 0.35 C ATOM 993 CG ARG A 76 61.345 31.297-138.949 1.00 0.66 C ATOM 994 CD ARG A 76 62.585 31.359-139.842 1.00 1.00 C ATOM 995 NE ARG A 76 62.831 32.769-140.255 1.00 1.51 N ATOM 996 CZ ARG A 76 63.984 33.109-140.762 1.00 2.03 C ATOM 997 NH1 ARG A 76 64.921 32.212-140.908 1.00 2.34 N ATOM 998 NH2 ARG A 76 64.199 34.344-141.124 1.00 3.14 N ATOM 0 H ARG A 76 59.149 32.567-138.423 1.00 0.28 H new ATOM 0 HA ARG A 76 60.319 30.979-136.479 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.603 33.252-138.060 1.00 0.35 H new ATOM 0 HB3 ARG A 76 62.486 31.977-137.243 1.00 0.35 H new ATOM 0 HG2 ARG A 76 61.171 30.273-138.620 1.00 0.66 H new ATOM 0 HG3 ARG A 76 60.463 31.605-139.511 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.451 30.969-139.307 1.00 1.00 H new ATOM 0 HD3 ARG A 76 62.444 30.731-140.722 1.00 1.00 H new ATOM 0 HE ARG A 76 62.098 33.469-140.141 1.00 1.51 H new ATOM 0 HH11 ARG A 76 64.751 31.247-140.626 1.00 2.34 H new ATOM 0 HH12 ARG A 76 65.823 32.476-141.304 1.00 2.34 H new ATOM 0 HH21 ARG A 76 63.466 35.044-141.011 1.00 3.14 H new ATOM 0 HH22 ARG A 76 65.101 34.610-141.520 1.00 3.14 H new ATOM 1012 N LEU A 77 60.467 34.181-135.656 1.00 0.30 N ATOM 1013 CA LEU A 77 60.675 35.058-134.468 1.00 0.31 C ATOM 1014 C LEU A 77 59.751 34.613-133.331 1.00 0.29 C ATOM 1015 O LEU A 77 60.195 34.261-132.259 1.00 0.30 O ATOM 1016 CB LEU A 77 60.371 36.507-134.839 1.00 0.35 C ATOM 1017 CG LEU A 77 61.599 37.123-135.504 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.219 38.458-136.137 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.690 37.348-134.455 1.00 0.38 C ATOM 0 H LEU A 77 60.225 34.663-136.522 1.00 0.30 H new ATOM 0 HA LEU A 77 61.712 34.980-134.141 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.517 36.550-135.514 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.102 37.074-133.948 1.00 0.35 H new ATOM 0 HG LEU A 77 61.971 36.448-136.275 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.096 38.898-136.612 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.443 38.298-136.885 1.00 0.51 H new ATOM 0 HD13 LEU A 77 60.846 39.133-135.367 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.567 37.788-134.930 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.319 38.022-133.683 1.00 0.38 H new ATOM 0 HD23 LEU A 77 62.963 36.394-134.003 1.00 0.38 H new ATOM 1031 N ILE A 78 58.472 34.622-133.566 1.00 0.29 N ATOM 1032 CA ILE A 78 57.498 34.200-132.519 1.00 0.32 C ATOM 1033 C ILE A 78 57.918 32.852-131.954 1.00 0.30 C ATOM 1034 O ILE A 78 57.926 32.644-130.765 1.00 0.32 O ATOM 1035 CB ILE A 78 56.115 34.075-133.141 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.639 35.465-133.542 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.145 33.473-132.124 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.817 35.369-134.820 1.00 0.37 C ATOM 0 H ILE A 78 58.052 34.907-134.450 1.00 0.29 H new ATOM 0 HA ILE A 78 57.476 34.941-131.720 1.00 0.32 H new ATOM 0 HB ILE A 78 56.156 33.426-134.016 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.039 35.901-132.743 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.494 36.124-133.695 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.156 33.385-132.573 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.497 32.486-131.826 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.090 34.119-131.248 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.475 36.363-135.108 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.431 34.951-135.617 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.955 34.724-134.650 1.00 0.37 H new ATOM 1050 N ARG A 79 58.284 31.942-132.804 1.00 0.29 N ATOM 1051 CA ARG A 79 58.733 30.607-132.297 1.00 0.32 C ATOM 1052 C ARG A 79 59.996 30.808-131.455 1.00 0.26 C ATOM 1053 O ARG A 79 60.186 30.167-130.444 1.00 0.26 O ATOM 1054 CB ARG A 79 59.043 29.675-133.469 1.00 0.38 C ATOM 1055 CG ARG A 79 58.026 29.901-134.585 1.00 0.39 C ATOM 1056 CD ARG A 79 57.407 28.563-134.991 1.00 0.39 C ATOM 1057 NE ARG A 79 58.486 27.554-135.179 1.00 1.50 N ATOM 1058 CZ ARG A 79 58.191 26.283-135.231 1.00 2.14 C ATOM 1059 NH1 ARG A 79 56.950 25.896-135.117 1.00 2.28 N ATOM 1060 NH2 ARG A 79 59.137 25.399-135.395 1.00 3.27 N ATOM 0 H ARG A 79 58.295 32.054-133.818 1.00 0.29 H new ATOM 0 HA ARG A 79 57.943 30.158-131.694 1.00 0.32 H new ATOM 0 HB2 ARG A 79 60.051 29.862-133.839 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.012 28.637-133.139 1.00 0.38 H new ATOM 0 HG2 ARG A 79 57.248 30.586-134.249 1.00 0.39 H new ATOM 0 HG3 ARG A 79 58.510 30.365-135.444 1.00 0.39 H new ATOM 0 HD2 ARG A 79 56.709 28.226-134.225 1.00 0.39 H new ATOM 0 HD3 ARG A 79 56.838 28.678-135.913 1.00 0.39 H new ATOM 0 HE ARG A 79 59.456 27.856-135.267 1.00 1.50 H new ATOM 0 HH11 ARG A 79 56.210 26.586-134.987 1.00 2.28 H new ATOM 0 HH12 ARG A 79 56.720 24.903-135.158 1.00 2.28 H new ATOM 0 HH21 ARG A 79 60.107 25.701-135.483 1.00 3.27 H new ATOM 0 HH22 ARG A 79 58.906 24.406-135.436 1.00 3.27 H new ATOM 1074 N ASN A 80 60.855 31.707-131.859 1.00 0.23 N ATOM 1075 CA ASN A 80 62.099 31.961-131.071 1.00 0.21 C ATOM 1076 C ASN A 80 61.730 32.716-129.795 1.00 0.21 C ATOM 1077 O ASN A 80 62.425 32.657-128.797 1.00 0.22 O ATOM 1078 CB ASN A 80 63.076 32.796-131.902 1.00 0.23 C ATOM 1079 CG ASN A 80 63.180 32.208-133.310 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.577 32.886-134.237 1.00 1.06 O ATOM 1081 ND2 ASN A 80 62.836 30.966-133.512 1.00 1.15 N ATOM 0 H ASN A 80 60.750 32.276-132.699 1.00 0.23 H new ATOM 0 HA ASN A 80 62.573 31.014-130.815 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.735 33.830-131.953 1.00 0.23 H new ATOM 0 HB3 ASN A 80 64.057 32.806-131.427 1.00 0.23 H new ATOM 0 HD21 ASN A 80 62.900 30.565-134.448 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.503 30.396-132.734 1.00 1.15 H new ATOM 1088 N LEU A 81 60.593 33.353-129.796 1.00 0.23 N ATOM 1089 CA LEU A 81 60.132 34.039-128.562 1.00 0.28 C ATOM 1090 C LEU A 81 59.555 32.941-127.694 1.00 0.30 C ATOM 1091 O LEU A 81 59.922 32.758-126.556 1.00 0.31 O ATOM 1092 CB LEU A 81 59.053 35.076-128.894 1.00 0.35 C ATOM 1093 CG LEU A 81 59.704 36.419-129.243 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.600 36.871-128.089 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.547 36.270-130.512 1.00 1.26 C ATOM 0 H LEU A 81 59.966 33.427-130.597 1.00 0.23 H new ATOM 0 HA LEU A 81 60.942 34.573-128.066 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.448 34.728-129.731 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.381 35.198-128.044 1.00 0.35 H new ATOM 0 HG LEU A 81 58.924 37.162-129.411 1.00 0.44 H new ATOM 0 HD11 LEU A 81 61.062 37.826-128.339 1.00 1.28 H new ATOM 0 HD12 LEU A 81 60.001 36.984-127.186 1.00 1.28 H new ATOM 0 HD13 LEU A 81 61.377 36.126-127.918 1.00 1.28 H new ATOM 0 HD21 LEU A 81 61.008 37.227-130.757 1.00 1.26 H new ATOM 0 HD22 LEU A 81 61.325 35.524-130.347 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.909 35.953-131.337 1.00 1.26 H new ATOM 1107 N ASN A 82 58.678 32.181-128.270 1.00 0.35 N ATOM 1108 CA ASN A 82 58.070 31.036-127.564 1.00 0.42 C ATOM 1109 C ASN A 82 59.181 30.199-126.943 1.00 0.37 C ATOM 1110 O ASN A 82 59.225 29.999-125.750 1.00 0.38 O ATOM 1111 CB ASN A 82 57.288 30.216-128.598 1.00 0.51 C ATOM 1112 CG ASN A 82 55.863 30.760-128.714 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.931 30.166-128.208 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.654 31.873-129.361 1.00 0.98 N ATOM 0 H ASN A 82 58.350 32.311-129.227 1.00 0.35 H new ATOM 0 HA ASN A 82 57.398 31.364-126.771 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.786 30.263-129.566 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.265 29.167-128.303 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.708 32.246-129.443 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.437 32.371-129.785 1.00 0.98 H new ATOM 1121 N VAL A 83 60.092 29.723-127.739 1.00 0.35 N ATOM 1122 CA VAL A 83 61.212 28.917-127.184 1.00 0.36 C ATOM 1123 C VAL A 83 61.879 29.715-126.060 1.00 0.32 C ATOM 1124 O VAL A 83 62.037 29.238-124.958 1.00 0.35 O ATOM 1125 CB VAL A 83 62.231 28.630-128.289 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.204 27.549-127.819 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.501 28.144-129.544 1.00 0.44 C ATOM 0 H VAL A 83 60.111 29.856-128.750 1.00 0.35 H new ATOM 0 HA VAL A 83 60.836 27.971-126.794 1.00 0.36 H new ATOM 0 HB VAL A 83 62.782 29.542-128.518 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.929 27.345-128.607 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.725 27.892-126.925 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.652 26.638-127.589 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.227 27.940-130.331 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.949 27.233-129.314 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.807 28.913-129.882 1.00 0.44 H new ATOM 1137 N ILE A 84 62.262 30.932-126.336 1.00 0.27 N ATOM 1138 CA ILE A 84 62.910 31.755-125.273 1.00 0.30 C ATOM 1139 C ILE A 84 62.056 31.695-124.002 1.00 0.31 C ATOM 1140 O ILE A 84 62.531 31.381-122.924 1.00 0.37 O ATOM 1141 CB ILE A 84 63.020 33.204-125.730 1.00 0.34 C ATOM 1142 CG1 ILE A 84 64.272 33.361-126.589 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.125 34.115-124.505 1.00 0.44 C ATOM 1144 CD1 ILE A 84 64.077 34.529-127.546 1.00 0.37 C ATOM 0 H ILE A 84 62.156 31.389-127.242 1.00 0.27 H new ATOM 0 HA ILE A 84 63.908 31.364-125.075 1.00 0.30 H new ATOM 0 HB ILE A 84 62.139 33.477-126.310 1.00 0.34 H new ATOM 0 HG12 ILE A 84 65.143 33.535-125.956 1.00 0.37 H new ATOM 0 HG13 ILE A 84 64.462 32.445-127.148 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.204 35.153-124.829 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.237 33.995-123.885 1.00 0.44 H new ATOM 0 HG23 ILE A 84 64.010 33.847-123.927 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.968 34.647-128.163 1.00 0.37 H new ATOM 0 HD12 ILE A 84 63.216 34.335-128.186 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.907 35.442-126.976 1.00 0.37 H new ATOM 1156 N LEU A 85 60.793 31.996-124.129 1.00 0.35 N ATOM 1157 CA LEU A 85 59.888 31.968-122.947 1.00 0.42 C ATOM 1158 C LEU A 85 59.895 30.567-122.345 1.00 0.42 C ATOM 1159 O LEU A 85 60.232 30.377-121.197 1.00 0.47 O ATOM 1160 CB LEU A 85 58.473 32.338-123.398 1.00 0.54 C ATOM 1161 CG LEU A 85 58.310 33.859-123.366 1.00 0.61 C ATOM 1162 CD1 LEU A 85 57.992 34.310-121.941 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.609 34.526-123.830 1.00 0.61 C ATOM 0 H LEU A 85 60.347 32.262-125.007 1.00 0.35 H new ATOM 0 HA LEU A 85 60.226 32.681-122.195 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.291 31.963-124.405 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.737 31.869-122.745 1.00 0.54 H new ATOM 0 HG LEU A 85 57.495 34.147-124.031 1.00 0.61 H new ATOM 0 HD11 LEU A 85 57.876 35.394-121.920 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.067 33.840-121.608 1.00 0.69 H new ATOM 0 HD13 LEU A 85 58.806 34.019-121.277 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.490 35.609-123.806 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.424 34.236-123.167 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.838 34.208-124.847 1.00 0.61 H new ATOM 1175 N ALA A 86 59.540 29.587-123.116 1.00 0.47 N ATOM 1176 CA ALA A 86 59.538 28.192-122.605 1.00 0.58 C ATOM 1177 C ALA A 86 60.923 27.866-122.035 1.00 0.59 C ATOM 1178 O ALA A 86 61.102 26.910-121.307 1.00 0.73 O ATOM 1179 CB ALA A 86 59.232 27.243-123.764 1.00 0.64 C ATOM 0 H ALA A 86 59.248 29.691-124.088 1.00 0.47 H new ATOM 0 HA ALA A 86 58.785 28.079-121.825 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.228 26.215-123.401 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.255 27.484-124.183 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.995 27.352-124.535 1.00 0.64 H new ATOM 1185 N LYS A 87 61.907 28.648-122.389 1.00 0.50 N ATOM 1186 CA LYS A 87 63.296 28.394-121.907 1.00 0.60 C ATOM 1187 C LYS A 87 63.477 28.948-120.501 1.00 0.58 C ATOM 1188 O LYS A 87 64.037 28.305-119.634 1.00 0.71 O ATOM 1189 CB LYS A 87 64.271 29.103-122.839 1.00 0.61 C ATOM 1190 CG LYS A 87 65.634 28.411-122.784 1.00 0.82 C ATOM 1191 CD LYS A 87 66.597 29.101-123.753 1.00 0.99 C ATOM 1192 CE LYS A 87 67.864 28.256-123.902 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.734 28.847-124.957 1.00 2.02 N ATOM 0 H LYS A 87 61.807 29.460-122.998 1.00 0.50 H new ATOM 0 HA LYS A 87 63.481 27.320-121.895 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.887 29.091-123.859 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.371 30.149-122.548 1.00 0.61 H new ATOM 0 HG2 LYS A 87 66.032 28.449-121.770 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.530 27.358-123.046 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.120 29.234-124.724 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.851 30.095-123.384 1.00 0.99 H new ATOM 0 HE2 LYS A 87 68.400 28.215-122.954 1.00 1.63 H new ATOM 0 HE3 LYS A 87 67.602 27.231-124.164 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.595 28.273-125.059 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.220 28.864-125.861 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.994 29.817-124.689 1.00 2.02 H new ATOM 1207 N TYR A 88 62.997 30.131-120.260 1.00 0.45 N ATOM 1208 CA TYR A 88 63.138 30.707-118.896 1.00 0.47 C ATOM 1209 C TYR A 88 61.994 30.178-118.042 1.00 0.54 C ATOM 1210 O TYR A 88 62.066 30.115-116.831 1.00 0.58 O ATOM 1211 CB TYR A 88 63.096 32.232-118.973 1.00 0.44 C ATOM 1212 CG TYR A 88 64.428 32.722-119.484 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.499 32.882-118.598 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.597 32.999-120.845 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.740 33.325-119.072 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.837 33.439-121.320 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.908 33.602-120.434 1.00 0.61 C ATOM 1218 OH TYR A 88 68.132 34.033-120.903 1.00 0.73 O ATOM 0 H TYR A 88 62.517 30.721-120.940 1.00 0.45 H new ATOM 0 HA TYR A 88 64.091 30.419-118.452 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.294 32.556-119.636 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.888 32.655-117.990 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.369 32.664-117.548 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.770 32.873-121.529 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.566 33.453-118.388 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.968 33.653-122.370 1.00 0.62 H new ATOM 0 HH TYR A 88 68.447 33.424-121.603 1.00 0.73 H new ATOM 1228 N GLY A 89 60.934 29.804-118.691 1.00 0.59 N ATOM 1229 CA GLY A 89 59.750 29.277-117.958 1.00 0.69 C ATOM 1230 C GLY A 89 58.947 30.449-117.397 1.00 0.77 C ATOM 1231 O GLY A 89 58.451 30.409-116.288 1.00 1.09 O ATOM 0 H GLY A 89 60.833 29.840-119.705 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.129 28.681-118.626 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.070 28.619-117.150 1.00 0.69 H new ATOM 1235 N LEU A 90 58.806 31.487-118.170 1.00 0.65 N ATOM 1236 CA LEU A 90 58.021 32.665-117.710 1.00 0.75 C ATOM 1237 C LEU A 90 56.917 32.931-118.733 1.00 0.80 C ATOM 1238 O LEU A 90 56.448 34.039-118.895 1.00 1.31 O ATOM 1239 CB LEU A 90 58.945 33.885-117.576 1.00 0.82 C ATOM 1240 CG LEU A 90 59.118 34.571-118.932 1.00 1.03 C ATOM 1241 CD1 LEU A 90 58.145 35.749-119.051 1.00 1.50 C ATOM 1242 CD2 LEU A 90 60.552 35.089-119.059 1.00 1.68 C ATOM 0 H LEU A 90 59.203 31.571-119.106 1.00 0.65 H new ATOM 0 HA LEU A 90 57.576 32.471-116.734 1.00 0.75 H new ATOM 0 HB2 LEU A 90 58.528 34.588-116.856 1.00 0.82 H new ATOM 0 HB3 LEU A 90 59.916 33.574-117.192 1.00 0.82 H new ATOM 0 HG LEU A 90 58.911 33.852-119.725 1.00 1.03 H new ATOM 0 HD11 LEU A 90 58.275 36.232-120.020 1.00 1.50 H new ATOM 0 HD12 LEU A 90 57.121 35.386-118.961 1.00 1.50 H new ATOM 0 HD13 LEU A 90 58.346 36.468-118.257 1.00 1.50 H new ATOM 0 HD21 LEU A 90 60.678 35.578-120.025 1.00 1.68 H new ATOM 0 HD22 LEU A 90 60.753 35.804-118.261 1.00 1.68 H new ATOM 0 HD23 LEU A 90 61.249 34.254-118.982 1.00 1.68 H new ATOM 1254 N ASP A 91 56.503 31.902-119.423 1.00 0.77 N ATOM 1255 CA ASP A 91 55.431 32.055-120.447 1.00 0.87 C ATOM 1256 C ASP A 91 54.173 32.631-119.789 1.00 1.30 C ATOM 1257 O ASP A 91 53.097 32.597-120.351 1.00 1.70 O ATOM 1258 CB ASP A 91 55.113 30.680-121.040 1.00 1.04 C ATOM 1259 CG ASP A 91 56.416 29.954-121.381 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.468 30.521-121.136 1.00 0.84 O ATOM 1261 OD2 ASP A 91 56.339 28.839-121.870 1.00 1.42 O ATOM 0 H ASP A 91 56.865 30.954-119.319 1.00 0.77 H new ATOM 0 HA ASP A 91 55.765 32.730-121.235 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.532 30.092-120.329 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.502 30.792-121.936 1.00 1.04 H new ATOM 1266 N GLY A 92 54.301 33.154-118.601 1.00 1.77 N ATOM 1267 CA GLY A 92 53.115 33.728-117.905 1.00 2.22 C ATOM 1268 C GLY A 92 52.545 34.883-118.729 1.00 2.72 C ATOM 1269 O GLY A 92 52.932 35.105-119.859 1.00 3.30 O ATOM 0 H GLY A 92 55.177 33.209-118.081 1.00 1.77 H new ATOM 0 HA2 GLY A 92 52.356 32.959-117.765 1.00 2.22 H new ATOM 0 HA3 GLY A 92 53.398 34.081-116.913 1.00 2.22 H new ATOM 1273 N LYS A 93 51.626 35.623-118.169 1.00 3.13 N ATOM 1274 CA LYS A 93 51.030 36.768-118.915 1.00 3.96 C ATOM 1275 C LYS A 93 50.889 37.965-117.975 1.00 4.22 C ATOM 1276 O LYS A 93 50.148 38.890-118.240 1.00 4.63 O ATOM 1277 CB LYS A 93 49.649 36.372-119.444 1.00 4.60 C ATOM 1278 CG LYS A 93 49.650 34.893-119.837 1.00 4.79 C ATOM 1279 CD LYS A 93 49.291 34.040-118.618 1.00 5.91 C ATOM 1280 CE LYS A 93 49.787 32.609-118.831 1.00 6.60 C ATOM 1281 NZ LYS A 93 49.858 31.908-117.517 1.00 6.86 N ATOM 0 H LYS A 93 51.262 35.484-117.226 1.00 3.13 H new ATOM 0 HA LYS A 93 51.676 37.033-119.752 1.00 3.96 H new ATOM 0 HB2 LYS A 93 48.891 36.555-118.682 1.00 4.60 H new ATOM 0 HB3 LYS A 93 49.389 36.987-120.306 1.00 4.60 H new ATOM 0 HG2 LYS A 93 48.933 34.719-120.640 1.00 4.79 H new ATOM 0 HG3 LYS A 93 50.631 34.608-120.218 1.00 4.79 H new ATOM 0 HD2 LYS A 93 49.742 34.462-117.720 1.00 5.91 H new ATOM 0 HD3 LYS A 93 48.212 34.043-118.464 1.00 5.91 H new ATOM 0 HE2 LYS A 93 49.115 32.076-119.504 1.00 6.60 H new ATOM 0 HE3 LYS A 93 50.769 32.619-119.303 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 50.275 30.964-117.649 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 50.448 32.459-116.861 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 48.900 31.811-117.123 1.00 6.86 H new ATOM 1295 N LYS A 94 51.590 37.949-116.873 1.00 4.52 N ATOM 1296 CA LYS A 94 51.499 39.079-115.904 1.00 5.25 C ATOM 1297 C LYS A 94 51.223 40.387-116.648 1.00 5.64 C ATOM 1298 O LYS A 94 51.493 40.514-117.826 1.00 6.30 O ATOM 1299 CB LYS A 94 52.817 39.198-115.137 1.00 6.00 C ATOM 1300 CG LYS A 94 52.597 38.804-113.675 1.00 6.18 C ATOM 1301 CD LYS A 94 53.824 39.194-112.850 1.00 7.02 C ATOM 1302 CE LYS A 94 53.986 38.218-111.682 1.00 7.55 C ATOM 1303 NZ LYS A 94 54.025 36.823-112.203 1.00 7.75 N ATOM 0 H LYS A 94 52.225 37.198-116.601 1.00 4.52 H new ATOM 0 HA LYS A 94 50.683 38.887-115.207 1.00 5.25 H new ATOM 0 HB2 LYS A 94 53.572 38.554-115.588 1.00 6.00 H new ATOM 0 HB3 LYS A 94 53.193 40.219-115.196 1.00 6.00 H new ATOM 0 HG2 LYS A 94 51.710 39.301-113.283 1.00 6.18 H new ATOM 0 HG3 LYS A 94 52.421 37.731-113.599 1.00 6.18 H new ATOM 0 HD2 LYS A 94 54.716 39.179-113.476 1.00 7.02 H new ATOM 0 HD3 LYS A 94 53.715 40.212-112.475 1.00 7.02 H new ATOM 0 HE2 LYS A 94 54.902 38.439-111.134 1.00 7.55 H new ATOM 0 HE3 LYS A 94 53.159 38.333-110.981 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 53.119 36.353-112.005 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 54.189 36.840-113.230 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 54.795 36.300-111.738 1.00 7.75 H new ATOM 1317 N ASP A 95 50.691 41.361-115.964 1.00 5.55 N ATOM 1318 CA ASP A 95 50.396 42.665-116.623 1.00 6.18 C ATOM 1319 C ASP A 95 49.326 42.461-117.698 1.00 6.72 C ATOM 1320 O ASP A 95 49.598 42.531-118.880 1.00 7.02 O ATOM 1321 CB ASP A 95 51.671 43.209-117.271 1.00 6.12 C ATOM 1322 CG ASP A 95 51.480 44.689-117.607 1.00 6.05 C ATOM 1323 OD1 ASP A 95 50.402 45.200-117.354 1.00 6.23 O ATOM 1324 OD2 ASP A 95 52.416 45.287-118.113 1.00 6.22 O ATOM 0 H ASP A 95 50.447 41.311-114.975 1.00 5.55 H new ATOM 0 HA ASP A 95 50.035 43.375-115.879 1.00 6.18 H new ATOM 0 HB2 ASP A 95 52.517 43.085-116.595 1.00 6.12 H new ATOM 0 HB3 ASP A 95 51.901 42.646-118.176 1.00 6.12 H new ATOM 1329 N ALA A 96 48.109 42.210-117.296 1.00 7.12 N ATOM 1330 CA ALA A 96 47.024 42.002-118.295 1.00 7.86 C ATOM 1331 C ALA A 96 46.692 43.332-118.971 1.00 8.30 C ATOM 1332 O ALA A 96 46.940 43.523-120.145 1.00 8.93 O ATOM 1333 CB ALA A 96 45.777 41.464-117.589 1.00 8.22 C ATOM 0 H ALA A 96 47.821 42.140-116.320 1.00 7.12 H new ATOM 0 HA ALA A 96 47.355 41.285-119.046 1.00 7.86 H new ATOM 0 HB1 ALA A 96 44.983 41.312-118.320 1.00 8.22 H new ATOM 0 HB2 ALA A 96 46.013 40.516-117.106 1.00 8.22 H new ATOM 0 HB3 ALA A 96 45.446 42.181-116.838 1.00 8.22 H new ATOM 1339 N ARG A 97 46.136 44.251-118.237 1.00 8.23 N ATOM 1340 CA ARG A 97 45.787 45.572-118.830 1.00 8.95 C ATOM 1341 C ARG A 97 45.234 46.490-117.738 1.00 9.53 C ATOM 1342 O ARG A 97 45.623 47.635-117.620 1.00 9.76 O ATOM 1343 CB ARG A 97 44.728 45.381-119.919 1.00 8.85 C ATOM 1344 CG ARG A 97 44.325 46.744-120.485 1.00 8.58 C ATOM 1345 CD ARG A 97 43.345 46.549-121.641 1.00 8.65 C ATOM 1346 NE ARG A 97 42.321 45.537-121.260 1.00 9.34 N ATOM 1347 CZ ARG A 97 41.222 45.427-121.956 1.00 9.46 C ATOM 1348 NH1 ARG A 97 41.019 46.206-122.983 1.00 9.01 N ATOM 1349 NH2 ARG A 97 40.325 44.538-121.623 1.00 10.30 N ATOM 0 H ARG A 97 45.907 44.146-117.249 1.00 8.23 H new ATOM 0 HA ARG A 97 46.679 46.021-119.266 1.00 8.95 H new ATOM 0 HB2 ARG A 97 45.119 44.747-120.714 1.00 8.85 H new ATOM 0 HB3 ARG A 97 43.855 44.874-119.507 1.00 8.85 H new ATOM 0 HG2 ARG A 97 43.867 47.352-119.705 1.00 8.58 H new ATOM 0 HG3 ARG A 97 45.208 47.281-120.830 1.00 8.58 H new ATOM 0 HD2 ARG A 97 42.863 47.495-121.886 1.00 8.65 H new ATOM 0 HD3 ARG A 97 43.879 46.223-122.533 1.00 8.65 H new ATOM 0 HE ARG A 97 42.478 44.930-120.456 1.00 9.34 H new ATOM 0 HH11 ARG A 97 41.719 46.901-123.242 1.00 9.01 H new ATOM 0 HH12 ARG A 97 40.160 46.120-123.527 1.00 9.01 H new ATOM 0 HH21 ARG A 97 40.483 43.930-120.819 1.00 10.30 H new ATOM 0 HH22 ARG A 97 39.466 44.452-122.166 1.00 10.30 H new ATOM 1363 N GLN A 98 44.328 45.997-116.938 1.00 9.97 N ATOM 1364 CA GLN A 98 43.752 46.841-115.854 1.00 10.76 C ATOM 1365 C GLN A 98 44.865 47.661-115.200 1.00 10.99 C ATOM 1366 O GLN A 98 44.554 48.686-114.616 1.00 11.00 O ATOM 1367 CB GLN A 98 43.095 45.944-114.803 1.00 11.07 C ATOM 1368 CG GLN A 98 42.135 44.970-115.490 1.00 11.38 C ATOM 1369 CD GLN A 98 41.577 43.989-114.458 1.00 11.58 C ATOM 1370 OE1 GLN A 98 41.983 43.998-113.312 1.00 11.67 O ATOM 1371 NE2 GLN A 98 40.657 43.135-114.818 1.00 11.85 N ATOM 0 H GLN A 98 43.962 45.046-116.989 1.00 9.97 H new ATOM 0 HA GLN A 98 43.005 47.513-116.276 1.00 10.76 H new ATOM 0 HB2 GLN A 98 43.857 45.392-114.253 1.00 11.07 H new ATOM 0 HB3 GLN A 98 42.555 46.552-114.077 1.00 11.07 H new ATOM 0 HG2 GLN A 98 41.321 45.519-115.963 1.00 11.38 H new ATOM 0 HG3 GLN A 98 42.655 44.427-116.280 1.00 11.38 H new ATOM 0 HE21 GLN A 98 40.316 43.127-115.779 1.00 11.85 H new ATOM 0 HE22 GLN A 98 40.279 42.476-114.138 1.00 11.85 H new TER 1380 GLN A 98