USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -13! C(o=-20!,f=-20!) USER MOD Set 1.2: A 80 ASN : amide:sc= -7.1! C(o=-20!,f=-21!) USER MOD Single : A 22 MET CE :methyl 142:sc= -0.472 (180deg=-2.78!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -5.05! C(o=-5!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= -1.84! K(o=-1.8!,f=-0.034) USER MOD Single : A 31 LYS NZ :NH3+ -134:sc= -0.157 (180deg=-1.08) USER MOD Single : A 33 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.41) USER MOD Single : A 36 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-0.4) USER MOD Single : A 46 HIS : no HD1:sc= -5.05! K(o=-5!,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -1.62 (180deg=-2.71) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= -12.9! (180deg=-13.5!) USER MOD Single : A 73 LYS NZ :NH3+ -126:sc= -0.197 (180deg=-2.86!) USER MOD Single : A 82 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.2) USER MOD Single : A 87 LYS NZ :NH3+ 153:sc= 0.0972 (180deg=0.00482) USER MOD Single : A 88 TYR OH : rot 169:sc= -13.7! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc=-0.00461 (180deg=-0.214) USER MOD Single : A 98 GLN : amide:sc= -0.932 K(o=-0.93,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 62.589 56.707-121.151 1.00 3.57 N ATOM 2 CA GLY A 17 63.518 55.599-121.650 1.00 2.94 C ATOM 3 C GLY A 17 63.065 54.181-121.584 1.00 2.17 C ATOM 4 O GLY A 17 62.714 53.679-120.536 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.759 55.818-122.690 1.00 2.94 H new ATOM 0 HA3 GLY A 17 64.448 55.672-121.085 1.00 2.94 H new ATOM 8 N GLU A 18 63.063 53.498-122.696 1.00 1.64 N ATOM 9 CA GLU A 18 62.621 52.075-122.696 1.00 0.99 C ATOM 10 C GLU A 18 63.788 51.179-123.115 1.00 0.98 C ATOM 11 O GLU A 18 64.929 51.596-123.133 1.00 1.60 O ATOM 12 CB GLU A 18 61.462 51.900-123.679 1.00 1.22 C ATOM 13 CG GLU A 18 60.176 52.443-123.055 1.00 1.64 C ATOM 14 CD GLU A 18 59.104 52.588-124.137 1.00 2.48 C ATOM 15 OE1 GLU A 18 59.196 53.525-124.912 1.00 3.13 O ATOM 16 OE2 GLU A 18 58.210 51.759-124.171 1.00 3.09 O ATOM 0 H GLU A 18 63.348 53.864-123.604 1.00 1.64 H new ATOM 0 HA GLU A 18 62.291 51.797-121.695 1.00 0.99 H new ATOM 0 HB2 GLU A 18 61.678 52.426-124.609 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.340 50.846-123.930 1.00 1.22 H new ATOM 0 HG2 GLU A 18 59.828 51.770-122.271 1.00 1.64 H new ATOM 0 HG3 GLU A 18 60.367 53.408-122.586 1.00 1.64 H new ATOM 23 N GLU A 19 63.512 49.949-123.453 1.00 0.57 N ATOM 24 CA GLU A 19 64.605 49.027-123.871 1.00 0.55 C ATOM 25 C GLU A 19 64.505 48.771-125.376 1.00 0.56 C ATOM 26 O GLU A 19 65.459 48.936-126.110 1.00 0.63 O ATOM 27 CB GLU A 19 64.478 47.703-123.104 1.00 0.45 C ATOM 28 CG GLU A 19 63.015 47.252-123.074 1.00 0.38 C ATOM 29 CD GLU A 19 62.184 48.254-122.271 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.771 49.008-121.513 1.00 1.96 O ATOM 31 OE2 GLU A 19 60.973 48.250-122.428 1.00 2.06 O ATOM 0 H GLU A 19 62.576 49.543-123.458 1.00 0.57 H new ATOM 0 HA GLU A 19 65.572 49.478-123.648 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.093 46.938-123.578 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.850 47.826-122.087 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.627 47.174-124.090 1.00 0.38 H new ATOM 0 HG3 GLU A 19 62.939 46.261-122.627 1.00 0.38 H new ATOM 38 N PHE A 20 63.354 48.379-125.840 1.00 0.51 N ATOM 39 CA PHE A 20 63.177 48.119-127.297 1.00 0.54 C ATOM 40 C PHE A 20 62.089 49.052-127.814 1.00 0.55 C ATOM 41 O PHE A 20 61.680 49.966-127.127 1.00 0.57 O ATOM 42 CB PHE A 20 62.746 46.669-127.506 1.00 0.52 C ATOM 43 CG PHE A 20 63.616 45.771-126.666 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.934 45.503-127.051 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.102 45.216-125.493 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.737 44.673-126.257 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.902 44.388-124.697 1.00 0.51 C ATOM 48 CZ PHE A 20 65.219 44.115-125.079 1.00 0.56 C ATOM 0 H PHE A 20 62.522 48.226-125.271 1.00 0.51 H new ATOM 0 HA PHE A 20 64.111 48.292-127.831 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.699 46.544-127.230 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.832 46.399-128.558 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.332 45.935-127.958 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.084 45.426-125.199 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.754 44.463-126.552 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.503 43.961-123.789 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.837 43.475-124.467 1.00 0.56 H new ATOM 58 N ARG A 21 61.596 48.846-129.005 1.00 0.57 N ATOM 59 CA ARG A 21 60.524 49.737-129.523 1.00 0.60 C ATOM 60 C ARG A 21 59.358 48.855-129.951 1.00 0.57 C ATOM 61 O ARG A 21 58.405 49.299-130.562 1.00 0.59 O ATOM 62 CB ARG A 21 61.045 50.497-130.737 1.00 0.69 C ATOM 63 CG ARG A 21 62.252 51.347-130.336 1.00 0.74 C ATOM 64 CD ARG A 21 62.823 52.040-131.574 1.00 0.82 C ATOM 65 NE ARG A 21 64.276 52.303-131.372 1.00 1.35 N ATOM 66 CZ ARG A 21 65.032 52.608-132.391 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.516 52.684-133.587 1.00 2.06 N ATOM 68 NH2 ARG A 21 66.304 52.839-132.213 1.00 2.72 N ATOM 0 H ARG A 21 61.889 48.102-129.638 1.00 0.57 H new ATOM 0 HA ARG A 21 60.212 50.449-128.759 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.327 49.796-131.523 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.259 51.133-131.144 1.00 0.69 H new ATOM 0 HG2 ARG A 21 61.957 52.089-129.594 1.00 0.74 H new ATOM 0 HG3 ARG A 21 63.014 50.720-129.873 1.00 0.74 H new ATOM 0 HD2 ARG A 21 62.675 51.415-132.454 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.295 52.976-131.756 1.00 0.82 H new ATOM 0 HE ARG A 21 64.680 52.245-130.437 1.00 1.35 H new ATOM 0 HH11 ARG A 21 63.521 52.505-133.726 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.107 52.922-134.383 1.00 2.06 H new ATOM 0 HH21 ARG A 21 66.707 52.781-131.278 1.00 2.72 H new ATOM 0 HH22 ARG A 21 66.895 53.077-133.009 1.00 2.72 H new ATOM 82 N MET A 22 59.437 47.603-129.612 1.00 0.54 N ATOM 83 CA MET A 22 58.350 46.650-129.964 1.00 0.55 C ATOM 84 C MET A 22 57.515 46.382-128.716 1.00 0.49 C ATOM 85 O MET A 22 58.037 46.262-127.624 1.00 0.63 O ATOM 86 CB MET A 22 58.959 45.339-130.463 1.00 0.61 C ATOM 87 CG MET A 22 59.707 45.588-131.774 1.00 0.71 C ATOM 88 SD MET A 22 58.519 45.976-133.082 1.00 1.14 S ATOM 89 CE MET A 22 58.129 44.272-133.547 1.00 1.25 C ATOM 0 H MET A 22 60.218 47.193-129.100 1.00 0.54 H new ATOM 0 HA MET A 22 57.723 47.073-130.749 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.641 44.935-129.715 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.175 44.597-130.615 1.00 0.61 H new ATOM 0 HG2 MET A 22 60.412 46.411-131.652 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.289 44.707-132.046 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.067 44.192-133.780 1.00 1.25 H new ATOM 0 HE2 MET A 22 58.715 43.990-134.422 1.00 1.25 H new ATOM 0 HE3 MET A 22 58.369 43.605-132.719 1.00 1.25 H new ATOM 99 N GLU A 23 56.225 46.302-128.856 1.00 0.47 N ATOM 100 CA GLU A 23 55.372 46.061-127.664 1.00 0.46 C ATOM 101 C GLU A 23 55.628 44.662-127.107 1.00 0.50 C ATOM 102 O GLU A 23 55.748 44.483-125.913 1.00 0.50 O ATOM 103 CB GLU A 23 53.897 46.201-128.048 1.00 0.50 C ATOM 104 CG GLU A 23 53.597 47.660-128.396 1.00 1.45 C ATOM 105 CD GLU A 23 52.106 47.816-128.703 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.433 46.803-128.800 1.00 2.68 O ATOM 107 OE2 GLU A 23 51.663 48.945-128.835 1.00 2.48 O ATOM 0 H GLU A 23 55.725 46.393-129.741 1.00 0.47 H new ATOM 0 HA GLU A 23 55.619 46.797-126.899 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.669 45.559-128.899 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.263 45.875-127.224 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.878 48.308-127.566 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.190 47.969-129.256 1.00 1.45 H new ATOM 114 N LYS A 24 55.712 43.662-127.941 1.00 0.54 N ATOM 115 CA LYS A 24 55.961 42.292-127.416 1.00 0.59 C ATOM 116 C LYS A 24 57.196 42.305-126.524 1.00 0.53 C ATOM 117 O LYS A 24 57.162 41.863-125.392 1.00 0.55 O ATOM 118 CB LYS A 24 56.187 41.335-128.586 1.00 0.67 C ATOM 119 CG LYS A 24 57.232 41.929-129.532 1.00 0.64 C ATOM 120 CD LYS A 24 57.237 41.146-130.846 1.00 0.77 C ATOM 121 CE LYS A 24 56.194 41.737-131.796 1.00 1.46 C ATOM 122 NZ LYS A 24 56.151 40.933-133.050 1.00 2.09 N ATOM 0 H LYS A 24 55.620 43.734-128.954 1.00 0.54 H new ATOM 0 HA LYS A 24 55.099 41.962-126.836 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.523 40.366-128.218 1.00 0.67 H new ATOM 0 HB3 LYS A 24 55.251 41.167-129.119 1.00 0.67 H new ATOM 0 HG2 LYS A 24 57.010 42.979-129.723 1.00 0.64 H new ATOM 0 HG3 LYS A 24 58.219 41.891-129.070 1.00 0.64 H new ATOM 0 HD2 LYS A 24 58.226 41.188-131.303 1.00 0.77 H new ATOM 0 HD3 LYS A 24 57.018 40.095-130.656 1.00 0.77 H new ATOM 0 HE2 LYS A 24 55.213 41.740-131.320 1.00 1.46 H new ATOM 0 HE3 LYS A 24 56.441 42.774-132.025 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 55.442 41.335-133.696 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.085 40.952-133.507 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 55.896 39.950-132.824 1.00 2.09 H new ATOM 136 N LEU A 25 58.292 42.801-127.022 1.00 0.47 N ATOM 137 CA LEU A 25 59.539 42.837-126.209 1.00 0.42 C ATOM 138 C LEU A 25 59.325 43.684-124.957 1.00 0.39 C ATOM 139 O LEU A 25 59.535 43.236-123.855 1.00 0.55 O ATOM 140 CB LEU A 25 60.653 43.473-127.039 1.00 0.43 C ATOM 141 CG LEU A 25 61.279 42.434-127.966 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.277 42.967-129.401 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.719 42.177-127.521 1.00 1.03 C ATOM 0 H LEU A 25 58.379 43.185-127.963 1.00 0.47 H new ATOM 0 HA LEU A 25 59.806 41.820-125.920 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.253 44.300-127.625 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.415 43.889-126.380 1.00 0.43 H new ATOM 0 HG LEU A 25 60.708 41.507-127.924 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.724 42.227-130.065 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.252 43.164-129.715 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.854 43.891-129.447 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.176 41.436-128.177 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.287 43.106-127.572 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.722 41.806-126.496 1.00 1.03 H new ATOM 155 N ASN A 26 58.918 44.907-125.123 1.00 0.39 N ATOM 156 CA ASN A 26 58.710 45.764-123.921 1.00 0.37 C ATOM 157 C ASN A 26 57.830 44.990-122.943 1.00 0.40 C ATOM 158 O ASN A 26 58.189 44.751-121.807 1.00 0.40 O ATOM 159 CB ASN A 26 58.024 47.070-124.313 1.00 0.41 C ATOM 160 CG ASN A 26 58.697 47.636-125.565 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.517 46.981-126.176 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.386 48.834-125.973 1.00 0.45 N ATOM 0 H ASN A 26 58.722 45.348-126.022 1.00 0.39 H new ATOM 0 HA ASN A 26 59.669 46.009-123.464 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.965 46.896-124.502 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.088 47.788-123.495 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.831 49.221-126.805 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.697 49.385-125.460 1.00 0.45 H new ATOM 169 N GLN A 27 56.677 44.604-123.395 1.00 0.44 N ATOM 170 CA GLN A 27 55.744 43.844-122.525 1.00 0.50 C ATOM 171 C GLN A 27 56.506 42.711-121.837 1.00 0.47 C ATOM 172 O GLN A 27 56.477 42.574-120.627 1.00 0.48 O ATOM 173 CB GLN A 27 54.615 43.257-123.376 1.00 0.59 C ATOM 174 CG GLN A 27 53.641 44.369-123.770 1.00 0.58 C ATOM 175 CD GLN A 27 52.401 43.754-124.421 1.00 1.39 C ATOM 176 OE1 GLN A 27 51.607 44.450-125.023 1.00 2.21 O ATOM 177 NE2 GLN A 27 52.199 42.468-124.326 1.00 2.02 N ATOM 0 H GLN A 27 56.336 44.783-124.339 1.00 0.44 H new ATOM 0 HA GLN A 27 55.321 44.510-121.773 1.00 0.50 H new ATOM 0 HB2 GLN A 27 55.026 42.786-124.269 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.091 42.481-122.818 1.00 0.59 H new ATOM 0 HG2 GLN A 27 53.355 44.945-122.890 1.00 0.58 H new ATOM 0 HG3 GLN A 27 54.122 45.061-124.461 1.00 0.58 H new ATOM 0 HE21 GLN A 27 52.865 41.883-123.821 1.00 2.02 H new ATOM 0 HE22 GLN A 27 51.375 42.048-124.757 1.00 2.02 H new ATOM 186 N LEU A 28 57.173 41.880-122.594 1.00 0.47 N ATOM 187 CA LEU A 28 57.914 40.739-121.982 1.00 0.47 C ATOM 188 C LEU A 28 58.988 41.242-121.018 1.00 0.39 C ATOM 189 O LEU A 28 59.112 40.756-119.912 1.00 0.50 O ATOM 190 CB LEU A 28 58.574 39.914-123.088 1.00 0.50 C ATOM 191 CG LEU A 28 57.563 38.912-123.648 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.062 38.379-124.993 1.00 1.41 C ATOM 193 CD2 LEU A 28 57.401 37.748-122.669 1.00 1.21 C ATOM 0 H LEU A 28 57.236 41.943-123.610 1.00 0.47 H new ATOM 0 HA LEU A 28 57.207 40.124-121.425 1.00 0.47 H new ATOM 0 HB2 LEU A 28 58.930 40.570-123.882 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.444 39.388-122.694 1.00 0.50 H new ATOM 0 HG LEU A 28 56.602 39.407-123.787 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.341 37.665-125.391 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.177 39.207-125.692 1.00 1.41 H new ATOM 0 HD13 LEU A 28 59.024 37.885-124.854 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.680 37.034-123.068 1.00 1.21 H new ATOM 0 HD22 LEU A 28 58.362 37.254-122.529 1.00 1.21 H new ATOM 0 HD23 LEU A 28 57.045 38.126-121.711 1.00 1.21 H new ATOM 205 N TRP A 29 59.765 42.211-121.414 1.00 0.37 N ATOM 206 CA TRP A 29 60.822 42.745-120.519 1.00 0.30 C ATOM 207 C TRP A 29 60.179 43.165-119.202 1.00 0.36 C ATOM 208 O TRP A 29 60.489 42.646-118.143 1.00 0.39 O ATOM 209 CB TRP A 29 61.427 43.959-121.231 1.00 0.32 C ATOM 210 CG TRP A 29 62.593 44.513-120.489 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.779 45.826-120.255 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.742 43.826-119.915 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.960 45.997-119.569 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.591 44.796-119.330 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.128 42.475-119.836 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.777 44.442-118.695 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.323 42.117-119.195 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.144 43.099-118.626 1.00 0.41 C ATOM 0 H TRP A 29 59.710 42.658-122.329 1.00 0.37 H new ATOM 0 HA TRP A 29 61.594 42.005-120.306 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.739 43.673-122.236 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.666 44.732-121.341 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.109 46.618-120.557 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.324 46.903-119.274 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.501 41.710-120.271 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.409 45.202-118.259 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.612 41.078-119.140 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.062 42.815-118.133 1.00 0.41 H new ATOM 229 N GLU A 30 59.288 44.109-119.266 1.00 0.45 N ATOM 230 CA GLU A 30 58.621 44.574-118.028 1.00 0.56 C ATOM 231 C GLU A 30 58.224 43.340-117.218 1.00 0.50 C ATOM 232 O GLU A 30 58.439 43.267-116.024 1.00 0.52 O ATOM 233 CB GLU A 30 57.368 45.376-118.390 1.00 0.68 C ATOM 234 CG GLU A 30 57.750 46.840-118.623 1.00 0.86 C ATOM 235 CD GLU A 30 58.292 47.440-117.325 1.00 1.53 C ATOM 236 OE1 GLU A 30 58.045 46.863-116.279 1.00 2.33 O ATOM 237 OE2 GLU A 30 58.944 48.469-117.399 1.00 2.06 O ATOM 0 H GLU A 30 58.994 44.578-120.123 1.00 0.45 H new ATOM 0 HA GLU A 30 59.290 45.211-117.450 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.905 44.963-119.286 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.633 45.304-117.589 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.501 46.910-119.410 1.00 0.86 H new ATOM 0 HG3 GLU A 30 56.881 47.404-118.961 1.00 0.86 H new ATOM 244 N LYS A 31 57.651 42.364-117.869 1.00 0.46 N ATOM 245 CA LYS A 31 57.241 41.124-117.151 1.00 0.45 C ATOM 246 C LYS A 31 58.453 40.500-116.448 1.00 0.43 C ATOM 247 O LYS A 31 58.416 40.212-115.265 1.00 0.46 O ATOM 248 CB LYS A 31 56.669 40.123-118.159 1.00 0.44 C ATOM 249 CG LYS A 31 55.208 39.827-117.817 1.00 0.91 C ATOM 250 CD LYS A 31 54.729 38.621-118.628 1.00 0.99 C ATOM 251 CE LYS A 31 54.479 39.044-120.076 1.00 1.36 C ATOM 252 NZ LYS A 31 53.406 40.078-120.113 1.00 2.08 N ATOM 0 H LYS A 31 57.449 42.372-118.869 1.00 0.46 H new ATOM 0 HA LYS A 31 56.485 41.374-116.406 1.00 0.45 H new ATOM 0 HB2 LYS A 31 56.742 40.527-119.169 1.00 0.44 H new ATOM 0 HB3 LYS A 31 57.251 39.201-118.142 1.00 0.44 H new ATOM 0 HG2 LYS A 31 55.107 39.625-116.751 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.588 40.696-118.037 1.00 0.91 H new ATOM 0 HD2 LYS A 31 55.475 37.827-118.594 1.00 0.99 H new ATOM 0 HD3 LYS A 31 53.815 38.217-118.193 1.00 0.99 H new ATOM 0 HE2 LYS A 31 55.395 39.440-120.514 1.00 1.36 H new ATOM 0 HE3 LYS A 31 54.187 38.180-120.673 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 52.725 39.845-120.864 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 52.916 40.103-119.196 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.828 41.009-120.305 1.00 2.08 H new ATOM 266 N ALA A 32 59.527 40.277-117.158 1.00 0.41 N ATOM 267 CA ALA A 32 60.717 39.661-116.503 1.00 0.41 C ATOM 268 C ALA A 32 61.113 40.489-115.287 1.00 0.41 C ATOM 269 O ALA A 32 61.082 40.010-114.166 1.00 0.42 O ATOM 270 CB ALA A 32 61.896 39.602-117.472 1.00 0.42 C ATOM 0 H ALA A 32 59.632 40.491-118.150 1.00 0.41 H new ATOM 0 HA ALA A 32 60.458 38.647-116.199 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.754 39.149-116.974 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.623 39.003-118.341 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.154 40.611-117.793 1.00 0.42 H new ATOM 276 N GLN A 33 61.477 41.731-115.468 1.00 0.43 N ATOM 277 CA GLN A 33 61.853 42.539-114.284 1.00 0.47 C ATOM 278 C GLN A 33 60.802 42.313-113.206 1.00 0.49 C ATOM 279 O GLN A 33 61.102 42.247-112.031 1.00 0.53 O ATOM 280 CB GLN A 33 61.914 44.019-114.669 1.00 0.51 C ATOM 281 CG GLN A 33 63.070 44.244-115.650 1.00 0.53 C ATOM 282 CD GLN A 33 62.992 45.665-116.213 1.00 0.75 C ATOM 283 OE1 GLN A 33 63.574 46.580-115.666 1.00 1.17 O ATOM 284 NE2 GLN A 33 62.292 45.888-117.292 1.00 1.23 N ATOM 0 H GLN A 33 61.528 42.209-116.368 1.00 0.43 H new ATOM 0 HA GLN A 33 62.834 42.242-113.913 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.972 44.327-115.123 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.054 44.632-113.779 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.024 44.093-115.145 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.020 43.517-116.461 1.00 0.53 H new ATOM 0 HE21 GLN A 33 61.803 45.119-117.751 1.00 1.23 H new ATOM 0 HE22 GLN A 33 62.234 46.831-117.676 1.00 1.23 H new ATOM 293 N ARG A 34 59.566 42.168-113.602 1.00 0.49 N ATOM 294 CA ARG A 34 58.497 41.919-112.603 1.00 0.52 C ATOM 295 C ARG A 34 58.814 40.620-111.877 1.00 0.52 C ATOM 296 O ARG A 34 58.640 40.505-110.680 1.00 0.55 O ATOM 297 CB ARG A 34 57.150 41.796-113.311 1.00 0.56 C ATOM 298 CG ARG A 34 56.224 42.926-112.854 1.00 0.67 C ATOM 299 CD ARG A 34 54.862 42.772-113.533 1.00 1.59 C ATOM 300 NE ARG A 34 54.432 44.083-114.104 1.00 1.96 N ATOM 301 CZ ARG A 34 54.619 45.192-113.438 1.00 2.81 C ATOM 302 NH1 ARG A 34 55.128 45.162-112.237 1.00 3.42 N ATOM 303 NH2 ARG A 34 54.277 46.334-113.970 1.00 3.58 N ATOM 0 H ARG A 34 59.255 42.212-114.572 1.00 0.49 H new ATOM 0 HA ARG A 34 58.447 42.744-111.893 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.290 41.841-114.391 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.698 40.829-113.089 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.108 42.900-111.771 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.661 43.893-113.105 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.921 42.023-114.322 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.124 42.419-112.813 1.00 1.59 H new ATOM 0 HE ARG A 34 53.988 44.113-115.022 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.382 44.270-111.813 1.00 3.42 H new ATOM 0 HH12 ARG A 34 55.272 46.031-111.722 1.00 3.42 H new ATOM 0 HH21 ARG A 34 53.865 46.359-114.903 1.00 3.58 H new ATOM 0 HH22 ARG A 34 54.422 47.201-113.453 1.00 3.58 H new ATOM 317 N LEU A 35 59.318 39.649-112.586 1.00 0.50 N ATOM 318 CA LEU A 35 59.691 38.376-111.918 1.00 0.54 C ATOM 319 C LEU A 35 60.972 38.644-111.140 1.00 0.55 C ATOM 320 O LEU A 35 61.395 37.870-110.305 1.00 0.61 O ATOM 321 CB LEU A 35 59.929 37.285-112.964 1.00 0.57 C ATOM 322 CG LEU A 35 58.601 36.603-113.297 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.818 37.467-114.287 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.875 35.232-113.920 1.00 0.84 C ATOM 0 H LEU A 35 59.486 39.683-113.591 1.00 0.50 H new ATOM 0 HA LEU A 35 58.896 38.035-111.255 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.364 37.718-113.865 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.642 36.552-112.586 1.00 0.57 H new ATOM 0 HG LEU A 35 58.017 36.478-112.385 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.872 36.981-114.525 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.623 38.443-113.843 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.400 37.593-115.200 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.929 34.745-114.158 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.458 35.357-114.832 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.433 34.617-113.214 1.00 0.84 H new ATOM 336 N HIS A 36 61.571 39.770-111.409 1.00 0.53 N ATOM 337 CA HIS A 36 62.822 40.164-110.695 1.00 0.58 C ATOM 338 C HIS A 36 63.944 39.148-110.935 1.00 0.49 C ATOM 339 O HIS A 36 64.437 38.521-110.019 1.00 1.37 O ATOM 340 CB HIS A 36 62.540 40.260-109.194 1.00 0.98 C ATOM 341 CG HIS A 36 62.014 41.631-108.867 1.00 1.43 C ATOM 342 ND1 HIS A 36 62.643 42.468-107.959 1.00 1.89 N ATOM 343 CD2 HIS A 36 60.917 42.324-109.317 1.00 1.60 C ATOM 344 CE1 HIS A 36 61.926 43.606-107.892 1.00 2.32 C ATOM 345 NE2 HIS A 36 60.865 43.570-108.701 1.00 2.17 N ATOM 0 H HIS A 36 61.244 40.444-112.102 1.00 0.53 H new ATOM 0 HA HIS A 36 63.146 41.130-111.082 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.814 39.501-108.901 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.451 40.065-108.629 1.00 0.98 H new ATOM 0 HD2 HIS A 36 60.203 41.957-110.040 1.00 1.60 H new ATOM 0 HE1 HIS A 36 62.179 44.445-107.261 1.00 2.32 H new ATOM 0 HE2 HIS A 36 60.166 44.300-108.838 1.00 2.17 H new ATOM 353 N LEU A 37 64.334 38.972-112.164 1.00 0.59 N ATOM 354 CA LEU A 37 65.411 37.981-112.445 1.00 0.43 C ATOM 355 C LEU A 37 66.757 38.688-112.259 1.00 0.44 C ATOM 356 O LEU A 37 66.985 39.745-112.812 1.00 0.42 O ATOM 357 CB LEU A 37 65.331 37.472-113.887 1.00 0.53 C ATOM 358 CG LEU A 37 63.891 37.120-114.252 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.066 38.405-114.349 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.882 36.410-115.609 1.00 0.82 C ATOM 0 H LEU A 37 63.961 39.462-112.977 1.00 0.59 H new ATOM 0 HA LEU A 37 65.300 37.132-111.770 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.709 38.234-114.569 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.967 36.595-114.005 1.00 0.53 H new ATOM 0 HG LEU A 37 63.464 36.469-113.490 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.037 38.158-114.610 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.083 38.922-113.389 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.489 39.052-115.117 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.857 36.154-115.879 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.303 37.070-116.368 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.479 35.500-115.548 1.00 0.82 H new ATOM 372 N PRO A 38 67.644 38.123-111.470 1.00 0.57 N ATOM 373 CA PRO A 38 68.966 38.753-111.219 1.00 0.66 C ATOM 374 C PRO A 38 69.595 39.255-112.508 1.00 0.58 C ATOM 375 O PRO A 38 69.315 38.743-113.563 1.00 0.52 O ATOM 376 CB PRO A 38 69.771 37.595-110.634 1.00 0.81 C ATOM 377 CG PRO A 38 68.787 36.494-110.210 1.00 0.82 C ATOM 378 CD PRO A 38 67.404 36.823-110.789 1.00 0.69 C ATOM 0 HA PRO A 38 68.913 39.626-110.569 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.476 37.211-111.371 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.356 37.932-109.778 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.127 35.523-110.571 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.736 36.430-109.123 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.062 36.057-111.485 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.647 36.906-110.010 1.00 0.69 H new ATOM 386 N PRO A 39 70.438 40.241-112.432 1.00 0.62 N ATOM 387 CA PRO A 39 71.088 40.777-113.649 1.00 0.60 C ATOM 388 C PRO A 39 71.646 39.653-114.521 1.00 0.53 C ATOM 389 O PRO A 39 71.396 39.587-115.696 1.00 0.51 O ATOM 390 CB PRO A 39 72.205 41.644-113.067 1.00 0.74 C ATOM 391 CG PRO A 39 71.984 41.776-111.552 1.00 0.81 C ATOM 392 CD PRO A 39 70.807 40.880-111.146 1.00 0.74 C ATOM 0 HA PRO A 39 70.409 41.325-114.302 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.177 41.195-113.270 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.204 42.628-113.537 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.885 41.484-111.012 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.777 42.813-111.289 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.096 40.145-110.395 1.00 0.74 H new ATOM 0 HD3 PRO A 39 69.982 41.457-110.727 1.00 0.74 H new ATOM 400 N VAL A 40 72.429 38.797-113.947 1.00 0.52 N ATOM 401 CA VAL A 40 73.051 37.685-114.718 1.00 0.47 C ATOM 402 C VAL A 40 71.985 36.932-115.513 1.00 0.41 C ATOM 403 O VAL A 40 72.058 36.798-116.728 1.00 0.37 O ATOM 404 CB VAL A 40 73.732 36.726-113.734 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.714 35.721-113.189 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.860 35.976-114.445 1.00 0.50 C ATOM 0 H VAL A 40 72.673 38.817-112.957 1.00 0.52 H new ATOM 0 HA VAL A 40 73.784 38.090-115.416 1.00 0.47 H new ATOM 0 HB VAL A 40 74.143 37.302-112.905 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.208 35.045-112.491 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.916 36.255-112.673 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.292 35.147-114.014 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.343 35.295-113.744 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.449 35.407-115.279 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.593 36.691-114.819 1.00 0.50 H new ATOM 416 N ARG A 41 70.978 36.461-114.844 1.00 0.42 N ATOM 417 CA ARG A 41 69.897 35.731-115.552 1.00 0.40 C ATOM 418 C ARG A 41 69.094 36.738-116.357 1.00 0.34 C ATOM 419 O ARG A 41 68.424 36.402-117.318 1.00 0.30 O ATOM 420 CB ARG A 41 68.985 35.046-114.532 1.00 0.46 C ATOM 421 CG ARG A 41 69.282 33.546-114.502 1.00 0.87 C ATOM 422 CD ARG A 41 68.154 32.821-113.764 1.00 1.00 C ATOM 423 NE ARG A 41 68.732 31.889-112.750 1.00 1.53 N ATOM 424 CZ ARG A 41 69.784 31.166-113.032 1.00 2.18 C ATOM 425 NH1 ARG A 41 70.308 31.205-114.227 1.00 2.54 N ATOM 426 NH2 ARG A 41 70.302 30.388-112.121 1.00 3.12 N ATOM 0 H ARG A 41 70.855 36.549-113.835 1.00 0.42 H new ATOM 0 HA ARG A 41 70.322 34.973-116.210 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.140 35.477-113.543 1.00 0.46 H new ATOM 0 HB3 ARG A 41 67.940 35.215-114.793 1.00 0.46 H new ATOM 0 HG2 ARG A 41 69.373 33.161-115.518 1.00 0.87 H new ATOM 0 HG3 ARG A 41 70.234 33.362-114.005 1.00 0.87 H new ATOM 0 HD2 ARG A 41 67.502 33.545-113.276 1.00 1.00 H new ATOM 0 HD3 ARG A 41 67.540 32.266-114.474 1.00 1.00 H new ATOM 0 HE ARG A 41 68.302 31.816-111.828 1.00 1.53 H new ATOM 0 HH11 ARG A 41 69.897 31.801-114.945 1.00 2.54 H new ATOM 0 HH12 ARG A 41 71.129 30.639-114.443 1.00 2.54 H new ATOM 0 HH21 ARG A 41 69.886 30.345-111.191 1.00 3.12 H new ATOM 0 HH22 ARG A 41 71.123 29.823-112.339 1.00 3.12 H new ATOM 440 N LEU A 42 69.166 37.981-115.976 1.00 0.35 N ATOM 441 CA LEU A 42 68.413 39.012-116.722 1.00 0.30 C ATOM 442 C LEU A 42 69.218 39.397-117.953 1.00 0.31 C ATOM 443 O LEU A 42 68.680 39.866-118.924 1.00 0.49 O ATOM 444 CB LEU A 42 68.150 40.233-115.843 1.00 0.32 C ATOM 445 CG LEU A 42 66.885 40.939-116.341 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.643 40.207-115.840 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.855 42.372-115.807 1.00 0.60 C ATOM 0 H LEU A 42 69.712 38.322-115.184 1.00 0.35 H new ATOM 0 HA LEU A 42 67.444 38.615-117.024 1.00 0.30 H new ATOM 0 HB2 LEU A 42 68.028 39.930-114.803 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.001 40.914-115.879 1.00 0.32 H new ATOM 0 HG LEU A 42 66.893 40.943-117.431 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.750 40.718-116.200 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.650 39.182-116.212 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.641 40.198-114.750 1.00 0.43 H new ATOM 0 HD21 LEU A 42 65.955 42.874-116.162 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.855 42.354-114.717 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.734 42.911-116.161 1.00 0.60 H new ATOM 459 N ALA A 43 70.501 39.159-117.946 1.00 0.30 N ATOM 460 CA ALA A 43 71.314 39.456-119.145 1.00 0.30 C ATOM 461 C ALA A 43 71.045 38.300-120.085 1.00 0.29 C ATOM 462 O ALA A 43 71.015 38.430-121.284 1.00 0.28 O ATOM 463 CB ALA A 43 72.797 39.503-118.772 1.00 0.36 C ATOM 0 H ALA A 43 71.017 38.771-117.157 1.00 0.30 H new ATOM 0 HA ALA A 43 71.065 40.418-119.592 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.389 39.722-119.661 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.960 40.281-118.026 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.100 38.539-118.363 1.00 0.36 H new ATOM 469 N GLU A 44 70.822 37.159-119.511 1.00 0.30 N ATOM 470 CA GLU A 44 70.506 35.988-120.362 1.00 0.32 C ATOM 471 C GLU A 44 69.184 36.302-121.074 1.00 0.30 C ATOM 472 O GLU A 44 69.126 36.403-122.283 1.00 0.34 O ATOM 473 CB GLU A 44 70.359 34.732-119.500 1.00 0.37 C ATOM 474 CG GLU A 44 70.374 33.492-120.398 1.00 1.15 C ATOM 475 CD GLU A 44 71.801 32.950-120.499 1.00 2.05 C ATOM 476 OE1 GLU A 44 72.546 33.118-119.547 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.124 32.376-121.526 1.00 2.80 O ATOM 0 H GLU A 44 70.844 36.986-118.506 1.00 0.30 H new ATOM 0 HA GLU A 44 71.302 35.802-121.082 1.00 0.32 H new ATOM 0 HB2 GLU A 44 71.171 34.679-118.775 1.00 0.37 H new ATOM 0 HB3 GLU A 44 69.428 34.773-118.934 1.00 0.37 H new ATOM 0 HG2 GLU A 44 69.712 32.728-119.991 1.00 1.15 H new ATOM 0 HG3 GLU A 44 69.999 33.744-121.390 1.00 1.15 H new ATOM 484 N LEU A 45 68.119 36.445-120.327 1.00 0.28 N ATOM 485 CA LEU A 45 66.786 36.741-120.951 1.00 0.29 C ATOM 486 C LEU A 45 66.779 38.135-121.605 1.00 0.24 C ATOM 487 O LEU A 45 66.146 38.345-122.619 1.00 0.25 O ATOM 488 CB LEU A 45 65.701 36.687-119.876 1.00 0.34 C ATOM 489 CG LEU A 45 64.333 36.926-120.521 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.651 35.585-120.791 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.465 37.756-119.574 1.00 0.77 C ATOM 0 H LEU A 45 68.111 36.370-119.310 1.00 0.28 H new ATOM 0 HA LEU A 45 66.594 35.994-121.721 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.716 35.718-119.377 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.892 37.441-119.113 1.00 0.34 H new ATOM 0 HG LEU A 45 64.464 37.461-121.462 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.678 35.758-121.250 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.269 34.991-121.464 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.519 35.048-119.852 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.490 37.928-120.030 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.336 37.219-118.634 1.00 0.77 H new ATOM 0 HD23 LEU A 45 63.949 38.713-119.381 1.00 0.77 H new ATOM 503 N HIS A 46 67.488 39.078-121.048 1.00 0.21 N ATOM 504 CA HIS A 46 67.525 40.440-121.667 1.00 0.20 C ATOM 505 C HIS A 46 68.370 40.373-122.940 1.00 0.19 C ATOM 506 O HIS A 46 67.962 40.800-124.001 1.00 0.21 O ATOM 507 CB HIS A 46 68.152 41.445-120.697 1.00 0.23 C ATOM 508 CG HIS A 46 68.119 42.821-121.304 1.00 0.24 C ATOM 509 ND1 HIS A 46 69.250 43.419-121.839 1.00 0.34 N ATOM 510 CD2 HIS A 46 67.104 43.732-121.462 1.00 0.27 C ATOM 511 CE1 HIS A 46 68.891 44.635-122.289 1.00 0.35 C ATOM 512 NE2 HIS A 46 67.594 44.876-122.084 1.00 0.31 N ATOM 0 H HIS A 46 68.041 38.969-120.198 1.00 0.21 H new ATOM 0 HA HIS A 46 66.510 40.762-121.900 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.609 41.441-119.752 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.180 41.159-120.475 1.00 0.23 H new ATOM 0 HD2 HIS A 46 66.081 43.583-121.151 1.00 0.27 H new ATOM 0 HE1 HIS A 46 69.570 45.332-122.759 1.00 0.35 H new ATOM 0 HE2 HIS A 46 67.074 45.718-122.330 1.00 0.31 H new ATOM 520 N ALA A 47 69.547 39.825-122.829 1.00 0.19 N ATOM 521 CA ALA A 47 70.446 39.700-124.009 1.00 0.22 C ATOM 522 C ALA A 47 69.713 38.957-125.117 1.00 0.21 C ATOM 523 O ALA A 47 69.521 39.466-126.203 1.00 0.22 O ATOM 524 CB ALA A 47 71.693 38.904-123.611 1.00 0.27 C ATOM 0 H ALA A 47 69.929 39.454-121.959 1.00 0.19 H new ATOM 0 HA ALA A 47 70.737 40.691-124.357 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.355 38.810-124.472 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.215 39.423-122.807 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.398 37.912-123.270 1.00 0.27 H new ATOM 530 N ASP A 48 69.285 37.760-124.845 1.00 0.22 N ATOM 531 CA ASP A 48 68.546 36.990-125.878 1.00 0.25 C ATOM 532 C ASP A 48 67.382 37.849-126.358 1.00 0.22 C ATOM 533 O ASP A 48 67.179 38.039-127.538 1.00 0.25 O ATOM 534 CB ASP A 48 68.014 35.688-125.275 1.00 0.28 C ATOM 535 CG ASP A 48 69.188 34.790-124.882 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.298 35.083-125.298 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.959 33.824-124.174 1.00 0.94 O ATOM 0 H ASP A 48 69.414 37.282-123.953 1.00 0.22 H new ATOM 0 HA ASP A 48 69.205 36.742-126.710 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.399 35.904-124.401 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.376 35.176-125.995 1.00 0.28 H new ATOM 542 N LEU A 49 66.628 38.385-125.442 1.00 0.19 N ATOM 543 CA LEU A 49 65.492 39.249-125.845 1.00 0.19 C ATOM 544 C LEU A 49 66.017 40.303-126.821 1.00 0.18 C ATOM 545 O LEU A 49 65.368 40.641-127.791 1.00 0.19 O ATOM 546 CB LEU A 49 64.885 39.925-124.613 1.00 0.18 C ATOM 547 CG LEU A 49 63.802 39.020-124.021 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.153 39.715-122.824 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.734 38.735-125.080 1.00 0.89 C ATOM 0 H LEU A 49 66.750 38.262-124.437 1.00 0.19 H new ATOM 0 HA LEU A 49 64.715 38.652-126.323 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.660 40.117-123.871 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.459 40.890-124.887 1.00 0.18 H new ATOM 0 HG LEU A 49 64.254 38.082-123.699 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.382 39.070-122.403 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.910 39.918-122.066 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.704 40.654-123.148 1.00 1.06 H new ATOM 0 HD21 LEU A 49 61.964 38.090-124.656 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.284 39.673-125.404 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.193 38.238-125.935 1.00 0.89 H new ATOM 561 N LYS A 50 67.203 40.808-126.591 1.00 0.20 N ATOM 562 CA LYS A 50 67.765 41.814-127.533 1.00 0.21 C ATOM 563 C LYS A 50 68.073 41.103-128.848 1.00 0.23 C ATOM 564 O LYS A 50 67.576 41.458-129.893 1.00 0.24 O ATOM 565 CB LYS A 50 69.053 42.406-126.954 1.00 0.24 C ATOM 566 CG LYS A 50 68.773 42.988-125.567 1.00 0.36 C ATOM 567 CD LYS A 50 69.174 44.464-125.539 1.00 0.84 C ATOM 568 CE LYS A 50 70.691 44.579-125.378 1.00 1.09 C ATOM 569 NZ LYS A 50 71.174 45.805-126.073 1.00 1.84 N ATOM 0 H LYS A 50 67.799 40.568-125.799 1.00 0.20 H new ATOM 0 HA LYS A 50 67.052 42.623-127.693 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.821 41.636-126.888 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.437 43.183-127.615 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.715 42.883-125.324 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.330 42.435-124.810 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.857 44.955-126.459 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.671 44.973-124.717 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.953 44.621-124.321 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.179 43.697-125.793 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 72.205 45.883-125.963 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.937 45.747-127.084 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.718 46.642-125.658 1.00 1.84 H new ATOM 583 N ILE A 51 68.887 40.090-128.799 1.00 0.25 N ATOM 584 CA ILE A 51 69.203 39.364-130.057 1.00 0.27 C ATOM 585 C ILE A 51 67.878 39.191-130.794 1.00 0.26 C ATOM 586 O ILE A 51 67.683 39.689-131.897 1.00 0.25 O ATOM 587 CB ILE A 51 69.804 37.995-129.738 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.308 38.143-129.506 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.562 37.044-130.912 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.546 39.079-128.322 1.00 0.30 C ATOM 0 H ILE A 51 69.341 39.737-127.957 1.00 0.25 H new ATOM 0 HA ILE A 51 69.927 39.912-130.659 1.00 0.27 H new ATOM 0 HB ILE A 51 69.334 37.592-128.841 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.755 37.168-129.310 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.788 38.540-130.400 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.991 36.068-130.684 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.490 36.939-131.080 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.032 37.446-131.809 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.617 39.187-128.153 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.112 40.056-128.537 1.00 0.30 H new ATOM 0 HD13 ILE A 51 71.078 38.663-127.430 1.00 0.30 H new ATOM 602 N GLN A 52 66.943 38.527-130.177 1.00 0.26 N ATOM 603 CA GLN A 52 65.622 38.363-130.816 1.00 0.27 C ATOM 604 C GLN A 52 65.098 39.754-131.168 1.00 0.24 C ATOM 605 O GLN A 52 64.325 39.913-132.077 1.00 0.26 O ATOM 606 CB GLN A 52 64.665 37.680-129.839 1.00 0.32 C ATOM 607 CG GLN A 52 63.558 36.975-130.621 1.00 0.45 C ATOM 608 CD GLN A 52 64.168 35.854-131.465 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.469 34.792-130.958 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.366 36.048-132.739 1.00 0.48 N ATOM 0 H GLN A 52 67.042 38.093-129.259 1.00 0.26 H new ATOM 0 HA GLN A 52 65.701 37.750-131.714 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.207 36.960-129.225 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.234 38.416-129.161 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.816 36.566-129.935 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.040 37.688-131.263 1.00 0.45 H new ATOM 0 HE21 GLN A 52 64.113 36.940-133.164 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.774 35.308-133.310 1.00 0.48 H new ATOM 619 N GLU A 53 65.516 40.766-130.444 1.00 0.23 N ATOM 620 CA GLU A 53 65.036 42.142-130.762 1.00 0.23 C ATOM 621 C GLU A 53 65.669 42.599-132.073 1.00 0.20 C ATOM 622 O GLU A 53 65.059 43.288-132.857 1.00 0.21 O ATOM 623 CB GLU A 53 65.423 43.132-129.667 1.00 0.25 C ATOM 624 CG GLU A 53 64.976 44.533-130.095 1.00 0.28 C ATOM 625 CD GLU A 53 66.186 45.471-130.119 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.281 44.987-130.358 1.00 1.04 O ATOM 627 OE2 GLU A 53 65.999 46.657-129.899 1.00 1.09 O ATOM 0 H GLU A 53 66.161 40.697-129.657 1.00 0.23 H new ATOM 0 HA GLU A 53 63.949 42.114-130.841 1.00 0.23 H new ATOM 0 HB2 GLU A 53 64.952 42.856-128.724 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.500 43.112-129.503 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.514 44.493-131.081 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.222 44.912-129.405 1.00 0.28 H new ATOM 634 N ARG A 54 66.891 42.223-132.322 1.00 0.22 N ATOM 635 CA ARG A 54 67.543 42.636-133.592 1.00 0.22 C ATOM 636 C ARG A 54 66.840 41.928-134.737 1.00 0.20 C ATOM 637 O ARG A 54 66.684 42.455-135.824 1.00 0.21 O ATOM 638 CB ARG A 54 69.004 42.202-133.566 1.00 0.24 C ATOM 639 CG ARG A 54 69.793 43.116-132.631 1.00 0.27 C ATOM 640 CD ARG A 54 70.107 44.434-133.343 1.00 0.85 C ATOM 641 NE ARG A 54 71.549 44.776-133.155 1.00 1.55 N ATOM 642 CZ ARG A 54 72.133 44.594-131.999 1.00 2.09 C ATOM 643 NH1 ARG A 54 71.447 44.164-130.976 1.00 2.40 N ATOM 644 NH2 ARG A 54 73.403 44.859-131.863 1.00 3.03 N ATOM 0 H ARG A 54 67.464 41.650-131.703 1.00 0.22 H new ATOM 0 HA ARG A 54 67.483 43.717-133.716 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.081 41.168-133.230 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.424 42.243-134.571 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.219 43.309-131.725 1.00 0.27 H new ATOM 0 HG3 ARG A 54 70.718 42.628-132.324 1.00 0.27 H new ATOM 0 HD2 ARG A 54 69.879 44.348-134.405 1.00 0.85 H new ATOM 0 HD3 ARG A 54 69.479 45.232-132.946 1.00 0.85 H new ATOM 0 HE ARG A 54 72.084 45.155-133.936 1.00 1.55 H new ATOM 0 HH11 ARG A 54 70.451 43.968-131.076 1.00 2.40 H new ATOM 0 HH12 ARG A 54 71.907 44.024-130.076 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.939 45.208-132.658 1.00 3.03 H new ATOM 0 HH22 ARG A 54 73.860 44.718-130.962 1.00 3.03 H new ATOM 658 N ASP A 55 66.389 40.739-134.478 1.00 0.20 N ATOM 659 CA ASP A 55 65.662 39.970-135.531 1.00 0.21 C ATOM 660 C ASP A 55 64.190 40.400-135.553 1.00 0.21 C ATOM 661 O ASP A 55 63.567 40.488-136.597 1.00 0.20 O ATOM 662 CB ASP A 55 65.752 38.474-135.224 1.00 0.25 C ATOM 663 CG ASP A 55 67.219 38.041-135.218 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.066 38.891-134.997 1.00 0.94 O ATOM 665 OD2 ASP A 55 67.471 36.867-135.434 1.00 0.84 O ATOM 0 H ASP A 55 66.490 40.261-133.583 1.00 0.20 H new ATOM 0 HA ASP A 55 66.113 40.169-136.503 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.296 38.262-134.257 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.197 37.905-135.970 1.00 0.25 H new ATOM 670 N GLU A 56 63.638 40.707-134.412 1.00 0.27 N ATOM 671 CA GLU A 56 62.221 41.153-134.363 1.00 0.32 C ATOM 672 C GLU A 56 62.149 42.544-134.960 1.00 0.30 C ATOM 673 O GLU A 56 61.363 42.813-135.844 1.00 0.31 O ATOM 674 CB GLU A 56 61.733 41.184-132.914 1.00 0.39 C ATOM 675 CG GLU A 56 61.206 39.801-132.523 1.00 0.44 C ATOM 676 CD GLU A 56 59.868 39.549-133.219 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.492 40.361-134.048 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.241 38.549-132.911 1.00 1.72 O ATOM 0 H GLU A 56 64.111 40.667-133.509 1.00 0.27 H new ATOM 0 HA GLU A 56 61.589 40.465-134.924 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.548 41.475-132.251 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.947 41.930-132.800 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.926 39.033-132.806 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.083 39.740-131.442 1.00 0.44 H new ATOM 685 N LEU A 57 62.993 43.427-134.520 1.00 0.30 N ATOM 686 CA LEU A 57 62.991 44.778-135.112 1.00 0.32 C ATOM 687 C LEU A 57 63.303 44.599-136.594 1.00 0.28 C ATOM 688 O LEU A 57 62.602 45.087-137.455 1.00 0.29 O ATOM 689 CB LEU A 57 64.064 45.645-134.451 1.00 0.36 C ATOM 690 CG LEU A 57 63.488 46.296-133.192 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.630 46.732-132.270 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.660 47.519-133.585 1.00 1.22 C ATOM 0 H LEU A 57 63.678 43.270-133.781 1.00 0.30 H new ATOM 0 HA LEU A 57 62.030 45.272-134.966 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.931 45.037-134.195 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.406 46.412-135.146 1.00 0.36 H new ATOM 0 HG LEU A 57 62.855 45.577-132.671 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.217 47.195-131.374 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.223 45.862-131.988 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.264 47.450-132.791 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.249 47.984-132.689 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.294 48.235-134.107 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.845 47.211-134.240 1.00 1.22 H new ATOM 704 N ALA A 58 64.333 43.850-136.903 1.00 0.25 N ATOM 705 CA ALA A 58 64.641 43.602-138.333 1.00 0.24 C ATOM 706 C ALA A 58 63.360 43.077-138.974 1.00 0.21 C ATOM 707 O ALA A 58 63.108 43.255-140.152 1.00 0.21 O ATOM 708 CB ALA A 58 65.751 42.555-138.455 1.00 0.24 C ATOM 0 H ALA A 58 64.962 43.408-136.233 1.00 0.25 H new ATOM 0 HA ALA A 58 64.982 44.513-138.824 1.00 0.24 H new ATOM 0 HB1 ALA A 58 65.971 42.379-139.508 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.648 42.916-137.952 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.425 41.624-137.992 1.00 0.24 H new ATOM 714 N TRP A 59 62.516 42.471-138.179 1.00 0.19 N ATOM 715 CA TRP A 59 61.233 41.987-138.738 1.00 0.18 C ATOM 716 C TRP A 59 60.311 43.184-138.946 1.00 0.20 C ATOM 717 O TRP A 59 59.884 43.458-140.051 1.00 0.30 O ATOM 718 CB TRP A 59 60.542 40.973-137.833 1.00 0.19 C ATOM 719 CG TRP A 59 59.334 40.497-138.568 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.331 39.533-139.519 1.00 0.26 C ATOM 721 CD2 TRP A 59 57.961 40.970-138.461 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.050 39.395-140.011 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.165 40.253-139.384 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.336 41.942-137.660 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.796 40.492-139.508 1.00 0.37 C ATOM 726 CZ3 TRP A 59 55.958 42.185-137.781 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.190 41.461-138.704 1.00 0.39 C ATOM 0 H TRP A 59 62.661 42.296-137.185 1.00 0.19 H new ATOM 0 HA TRP A 59 61.449 41.483-139.680 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.208 40.141-137.604 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.263 41.429-136.883 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.192 38.965-139.840 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.787 38.740-140.747 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.919 42.505-136.947 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.209 39.932-140.221 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.488 42.933-137.160 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.131 41.652-138.793 1.00 0.39 H new ATOM 738 N LYS A 60 59.983 43.902-137.901 1.00 0.27 N ATOM 739 CA LYS A 60 59.077 45.062-138.101 1.00 0.30 C ATOM 740 C LYS A 60 59.538 45.775-139.369 1.00 0.29 C ATOM 741 O LYS A 60 58.743 46.279-140.141 1.00 0.31 O ATOM 742 CB LYS A 60 59.140 46.015-136.898 1.00 0.38 C ATOM 743 CG LYS A 60 60.314 46.988-137.048 1.00 0.42 C ATOM 744 CD LYS A 60 60.262 48.024-135.924 1.00 1.08 C ATOM 745 CE LYS A 60 61.359 49.068-136.142 1.00 1.53 C ATOM 746 NZ LYS A 60 60.851 50.140-137.044 1.00 2.27 N ATOM 0 H LYS A 60 60.296 43.738-136.944 1.00 0.27 H new ATOM 0 HA LYS A 60 58.043 44.729-138.195 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.206 46.572-136.818 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.250 45.442-135.977 1.00 0.38 H new ATOM 0 HG2 LYS A 60 61.258 46.444-137.013 1.00 0.42 H new ATOM 0 HG3 LYS A 60 60.268 47.484-138.017 1.00 0.42 H new ATOM 0 HD2 LYS A 60 59.285 48.506-135.904 1.00 1.08 H new ATOM 0 HD3 LYS A 60 60.396 47.536-134.959 1.00 1.08 H new ATOM 0 HE2 LYS A 60 61.664 49.496-135.187 1.00 1.53 H new ATOM 0 HE3 LYS A 60 62.241 48.599-136.578 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 61.596 50.850-137.193 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 60.581 49.725-137.958 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 60.022 50.594-136.611 1.00 2.27 H new ATOM 760 N LYS A 61 60.824 45.783-139.610 1.00 0.28 N ATOM 761 CA LYS A 61 61.338 46.427-140.844 1.00 0.30 C ATOM 762 C LYS A 61 61.094 45.489-142.024 1.00 0.27 C ATOM 763 O LYS A 61 60.881 45.930-143.135 1.00 0.35 O ATOM 764 CB LYS A 61 62.833 46.708-140.715 1.00 0.35 C ATOM 765 CG LYS A 61 63.123 47.361-139.362 1.00 0.40 C ATOM 766 CD LYS A 61 64.129 48.498-139.550 1.00 0.77 C ATOM 767 CE LYS A 61 63.386 49.781-139.929 1.00 1.42 C ATOM 768 NZ LYS A 61 62.860 49.657-141.318 1.00 2.43 N ATOM 0 H LYS A 61 61.534 45.371-139.005 1.00 0.28 H new ATOM 0 HA LYS A 61 60.820 47.373-141.001 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.396 45.780-140.809 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.160 47.363-141.523 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.201 47.745-138.927 1.00 0.40 H new ATOM 0 HG3 LYS A 61 63.520 46.621-138.667 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.696 48.651-138.632 1.00 0.77 H new ATOM 0 HD3 LYS A 61 64.847 48.238-140.328 1.00 0.77 H new ATOM 0 HE2 LYS A 61 62.567 49.959-139.233 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.057 50.637-139.857 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 62.631 50.602-141.688 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 63.580 49.213-141.923 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 62.002 49.070-141.313 1.00 2.43 H new ATOM 782 N LEU A 62 61.079 44.194-141.803 1.00 0.24 N ATOM 783 CA LEU A 62 60.797 43.265-142.932 1.00 0.24 C ATOM 784 C LEU A 62 59.361 43.497-143.377 1.00 0.24 C ATOM 785 O LEU A 62 59.093 43.894-144.493 1.00 0.26 O ATOM 786 CB LEU A 62 60.909 41.809-142.461 1.00 0.24 C ATOM 787 CG LEU A 62 62.351 41.309-142.579 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.657 40.360-141.420 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.521 40.549-143.897 1.00 0.41 C ATOM 0 H LEU A 62 61.248 43.750-140.900 1.00 0.24 H new ATOM 0 HA LEU A 62 61.508 43.445-143.738 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.575 41.730-141.426 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.250 41.177-143.057 1.00 0.24 H new ATOM 0 HG LEU A 62 63.031 42.161-142.551 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.684 40.003-141.503 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.532 40.888-140.475 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.974 39.511-141.455 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.548 40.193-143.982 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.839 39.699-143.917 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.298 41.214-144.732 1.00 0.41 H new ATOM 801 N LYS A 63 58.435 43.242-142.496 1.00 0.24 N ATOM 802 CA LYS A 63 57.008 43.435-142.843 1.00 0.26 C ATOM 803 C LYS A 63 56.795 44.873-143.312 1.00 0.29 C ATOM 804 O LYS A 63 55.986 45.133-144.182 1.00 0.30 O ATOM 805 CB LYS A 63 56.133 43.156-141.616 1.00 0.34 C ATOM 806 CG LYS A 63 56.609 44.008-140.437 1.00 0.46 C ATOM 807 CD LYS A 63 55.404 44.413-139.585 1.00 0.41 C ATOM 808 CE LYS A 63 54.805 45.714-140.124 1.00 0.58 C ATOM 809 NZ LYS A 63 55.057 45.810-141.590 1.00 1.20 N ATOM 0 H LYS A 63 58.610 42.907-141.548 1.00 0.24 H new ATOM 0 HA LYS A 63 56.731 42.746-143.641 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.091 43.381-141.842 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.182 42.099-141.356 1.00 0.34 H new ATOM 0 HG2 LYS A 63 57.323 43.448-139.834 1.00 0.46 H new ATOM 0 HG3 LYS A 63 57.126 44.896-140.801 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.654 43.622-139.600 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.708 44.544-138.547 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.733 45.742-139.926 1.00 0.58 H new ATOM 0 HE3 LYS A 63 55.246 46.569-139.612 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 54.550 46.632-141.976 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 56.077 45.921-141.760 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.720 44.944-142.058 1.00 1.20 H new ATOM 823 N LEU A 64 57.512 45.818-142.756 1.00 0.33 N ATOM 824 CA LEU A 64 57.347 47.234-143.184 1.00 0.43 C ATOM 825 C LEU A 64 57.861 47.414-144.612 1.00 0.52 C ATOM 826 O LEU A 64 57.186 47.962-145.461 1.00 0.75 O ATOM 827 CB LEU A 64 58.153 48.123-142.233 1.00 0.38 C ATOM 828 CG LEU A 64 57.290 48.502-141.028 1.00 0.50 C ATOM 829 CD1 LEU A 64 58.117 49.335-140.048 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.086 49.321-141.501 1.00 1.23 C ATOM 0 H LEU A 64 58.205 45.666-142.023 1.00 0.33 H new ATOM 0 HA LEU A 64 56.292 47.508-143.156 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.049 47.599-141.901 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.484 49.022-142.753 1.00 0.38 H new ATOM 0 HG LEU A 64 56.943 47.596-140.532 1.00 0.50 H new ATOM 0 HD11 LEU A 64 57.501 49.605-139.190 1.00 1.10 H new ATOM 0 HD12 LEU A 64 58.975 48.754-139.711 1.00 1.10 H new ATOM 0 HD13 LEU A 64 58.465 50.241-140.544 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.470 49.592-140.643 1.00 1.23 H new ATOM 0 HD22 LEU A 64 56.434 50.227-141.998 1.00 1.23 H new ATOM 0 HD23 LEU A 64 55.495 48.729-142.199 1.00 1.23 H new ATOM 842 N ASP A 65 59.052 46.965-144.880 1.00 0.45 N ATOM 843 CA ASP A 65 59.615 47.115-146.251 1.00 0.60 C ATOM 844 C ASP A 65 58.966 46.094-147.185 1.00 0.96 C ATOM 845 O ASP A 65 59.156 46.129-148.385 1.00 0.98 O ATOM 846 CB ASP A 65 61.127 46.878-146.210 1.00 0.53 C ATOM 847 CG ASP A 65 61.809 48.059-145.516 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.104 48.970-145.112 1.00 1.14 O ATOM 849 OD2 ASP A 65 63.023 48.033-145.399 1.00 1.31 O ATOM 0 H ASP A 65 59.663 46.499-144.209 1.00 0.45 H new ATOM 0 HA ASP A 65 59.413 48.122-146.617 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.347 45.953-145.677 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.516 46.763-147.222 1.00 0.53 H new ATOM 854 N GLY A 66 58.199 45.187-146.649 1.00 1.30 N ATOM 855 CA GLY A 66 57.537 44.170-147.512 1.00 1.72 C ATOM 856 C GLY A 66 58.547 43.095-147.914 1.00 0.91 C ATOM 857 O GLY A 66 58.772 42.850-149.082 1.00 1.14 O ATOM 0 H GLY A 66 58.002 45.106-145.652 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.702 43.716-146.979 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.126 44.647-148.402 1.00 1.72 H new ATOM 861 N LEU A 67 59.149 42.438-146.958 1.00 0.37 N ATOM 862 CA LEU A 67 60.128 41.372-147.303 1.00 1.03 C ATOM 863 C LEU A 67 59.494 40.008-147.024 1.00 0.91 C ATOM 864 O LEU A 67 59.609 39.090-147.812 1.00 1.09 O ATOM 865 CB LEU A 67 61.403 41.546-146.478 1.00 1.69 C ATOM 866 CG LEU A 67 62.344 42.513-147.203 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.394 43.046-146.227 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.048 41.777-148.347 1.00 2.68 C ATOM 0 H LEU A 67 59.005 42.594-145.960 1.00 0.37 H new ATOM 0 HA LEU A 67 60.392 41.440-148.358 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.160 41.930-145.487 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.892 40.582-146.335 1.00 1.69 H new ATOM 0 HG LEU A 67 61.764 43.346-147.601 1.00 1.79 H new ATOM 0 HD11 LEU A 67 64.060 43.733-146.749 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.898 43.571-145.410 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.973 42.214-145.825 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.718 42.464-148.864 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.623 40.944-147.944 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.304 41.399-149.049 1.00 2.68 H new ATOM 880 N ASP A 68 58.752 39.894-145.957 1.00 0.69 N ATOM 881 CA ASP A 68 58.018 38.633-145.662 1.00 0.59 C ATOM 882 C ASP A 68 56.545 38.971-145.853 1.00 0.59 C ATOM 883 O ASP A 68 55.995 39.715-145.065 1.00 0.59 O ATOM 884 CB ASP A 68 58.263 38.213-144.207 1.00 0.53 C ATOM 885 CG ASP A 68 57.926 36.730-144.046 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.539 36.120-145.030 1.00 0.97 O ATOM 887 OD2 ASP A 68 58.062 36.229-142.944 1.00 1.19 O ATOM 0 H ASP A 68 58.622 40.634-145.267 1.00 0.69 H new ATOM 0 HA ASP A 68 58.341 37.815-146.305 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.303 38.393-143.935 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.649 38.812-143.535 1.00 0.53 H new ATOM 892 N GLU A 69 55.877 38.509-146.875 1.00 0.63 N ATOM 893 CA GLU A 69 54.460 38.922-147.028 1.00 0.69 C ATOM 894 C GLU A 69 53.524 38.006-146.247 1.00 0.71 C ATOM 895 O GLU A 69 52.331 38.236-146.215 1.00 0.77 O ATOM 896 CB GLU A 69 54.083 38.882-148.510 1.00 0.73 C ATOM 897 CG GLU A 69 54.610 37.589-149.136 1.00 0.75 C ATOM 898 CD GLU A 69 56.050 37.799-149.608 1.00 1.36 C ATOM 899 OE1 GLU A 69 56.527 38.918-149.508 1.00 2.06 O ATOM 900 OE2 GLU A 69 56.650 36.839-150.062 1.00 1.82 O ATOM 0 H GLU A 69 56.241 37.881-147.591 1.00 0.63 H new ATOM 0 HA GLU A 69 54.354 39.933-146.633 1.00 0.69 H new ATOM 0 HB2 GLU A 69 53.000 38.938-148.622 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.502 39.746-149.026 1.00 0.73 H new ATOM 0 HG2 GLU A 69 54.569 36.778-148.409 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.980 37.296-149.976 1.00 0.75 H new ATOM 907 N ASP A 70 54.012 36.981-145.598 1.00 0.72 N ATOM 908 CA ASP A 70 53.086 36.109-144.823 1.00 0.78 C ATOM 909 C ASP A 70 53.496 36.186-143.354 1.00 0.69 C ATOM 910 O ASP A 70 52.952 35.518-142.498 1.00 0.84 O ATOM 911 CB ASP A 70 53.201 34.665-145.317 1.00 0.83 C ATOM 912 CG ASP A 70 52.795 34.596-146.791 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.460 35.632-147.342 1.00 1.34 O ATOM 914 OD2 ASP A 70 52.827 33.509-147.342 1.00 1.43 O ATOM 0 H ASP A 70 54.996 36.714-145.571 1.00 0.72 H new ATOM 0 HA ASP A 70 52.055 36.438-144.950 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.223 34.307-145.193 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.561 34.014-144.722 1.00 0.83 H new ATOM 919 N GLY A 71 54.450 37.028-143.071 1.00 0.50 N ATOM 920 CA GLY A 71 54.921 37.209-141.671 1.00 0.43 C ATOM 921 C GLY A 71 55.571 35.930-141.133 1.00 0.34 C ATOM 922 O GLY A 71 55.645 35.736-139.936 1.00 0.31 O ATOM 0 H GLY A 71 54.930 37.606-143.761 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.638 38.029-141.629 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.081 37.488-141.035 1.00 0.43 H new ATOM 926 N GLU A 72 56.059 35.055-141.976 1.00 0.36 N ATOM 927 CA GLU A 72 56.702 33.826-141.426 1.00 0.34 C ATOM 928 C GLU A 72 57.935 34.262-140.635 1.00 0.30 C ATOM 929 O GLU A 72 58.111 33.909-139.487 1.00 0.30 O ATOM 930 CB GLU A 72 57.123 32.904-142.574 1.00 0.40 C ATOM 931 CG GLU A 72 57.862 31.689-142.007 1.00 1.23 C ATOM 932 CD GLU A 72 58.494 30.897-143.153 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.751 30.383-143.973 1.00 2.68 O ATOM 934 OE2 GLU A 72 59.711 30.819-143.190 1.00 2.64 O ATOM 0 H GLU A 72 56.042 35.134-142.993 1.00 0.36 H new ATOM 0 HA GLU A 72 56.007 33.285-140.784 1.00 0.34 H new ATOM 0 HB2 GLU A 72 56.246 32.581-143.135 1.00 0.40 H new ATOM 0 HB3 GLU A 72 57.766 33.442-143.270 1.00 0.40 H new ATOM 0 HG2 GLU A 72 58.632 32.012-141.306 1.00 1.23 H new ATOM 0 HG3 GLU A 72 57.170 31.056-141.451 1.00 1.23 H new ATOM 941 N LYS A 73 58.785 35.041-141.242 1.00 0.31 N ATOM 942 CA LYS A 73 59.994 35.510-140.515 1.00 0.33 C ATOM 943 C LYS A 73 59.532 35.983-139.138 1.00 0.29 C ATOM 944 O LYS A 73 60.244 35.899-138.149 1.00 0.29 O ATOM 945 CB LYS A 73 60.644 36.666-141.280 1.00 0.38 C ATOM 946 CG LYS A 73 61.053 36.193-142.677 1.00 0.55 C ATOM 947 CD LYS A 73 61.943 37.249-143.336 1.00 1.07 C ATOM 948 CE LYS A 73 63.400 37.016-142.931 1.00 1.38 C ATOM 949 NZ LYS A 73 64.299 37.728-143.883 1.00 2.36 N ATOM 0 H LYS A 73 58.696 35.371-142.203 1.00 0.31 H new ATOM 0 HA LYS A 73 60.730 34.712-140.422 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.948 37.501-141.357 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.517 37.028-140.738 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.586 35.245-142.609 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.167 36.018-143.287 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.844 37.198-144.420 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.626 38.247-143.033 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.569 37.376-141.916 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.623 35.949-142.932 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.992 37.058-144.273 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.734 38.132-144.657 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 64.799 38.491-143.384 1.00 2.36 H new ATOM 963 N GLU A 74 58.293 36.385-139.062 1.00 0.28 N ATOM 964 CA GLU A 74 57.713 36.781-137.756 1.00 0.28 C ATOM 965 C GLU A 74 57.368 35.479-137.056 1.00 0.26 C ATOM 966 O GLU A 74 57.521 35.320-135.878 1.00 0.27 O ATOM 967 CB GLU A 74 56.437 37.592-137.980 1.00 0.31 C ATOM 968 CG GLU A 74 56.198 38.492-136.772 1.00 0.37 C ATOM 969 CD GLU A 74 54.702 38.542-136.456 1.00 0.47 C ATOM 970 OE1 GLU A 74 54.040 37.536-136.658 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.243 39.583-136.016 1.00 1.11 O ATOM 0 H GLU A 74 57.657 36.455-139.856 1.00 0.28 H new ATOM 0 HA GLU A 74 58.403 37.392-137.174 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.528 38.193-138.885 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.588 36.924-138.125 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.749 38.115-135.911 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.571 39.496-136.975 1.00 0.37 H new ATOM 978 N ALA A 75 56.912 34.545-137.830 1.00 0.25 N ATOM 979 CA ALA A 75 56.572 33.220-137.263 1.00 0.27 C ATOM 980 C ALA A 75 57.836 32.700-136.604 1.00 0.26 C ATOM 981 O ALA A 75 57.898 32.557-135.404 1.00 0.27 O ATOM 982 CB ALA A 75 56.106 32.264-138.364 1.00 0.30 C ATOM 0 H ALA A 75 56.759 34.642-138.834 1.00 0.25 H new ATOM 0 HA ALA A 75 55.756 33.298-136.544 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.861 31.296-137.926 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.223 32.675-138.853 1.00 0.30 H new ATOM 0 HB3 ALA A 75 56.902 32.139-139.098 1.00 0.30 H new ATOM 988 N ARG A 76 58.847 32.414-137.366 1.00 0.28 N ATOM 989 CA ARG A 76 60.095 31.905-136.741 1.00 0.31 C ATOM 990 C ARG A 76 60.420 32.771-135.528 1.00 0.28 C ATOM 991 O ARG A 76 60.679 32.273-134.450 1.00 0.30 O ATOM 992 CB ARG A 76 61.243 31.974-137.750 1.00 0.35 C ATOM 993 CG ARG A 76 62.424 31.146-137.239 1.00 0.66 C ATOM 994 CD ARG A 76 63.619 31.325-138.178 1.00 1.00 C ATOM 995 NE ARG A 76 63.378 30.568-139.439 1.00 1.51 N ATOM 996 CZ ARG A 76 64.108 30.808-140.494 1.00 2.03 C ATOM 997 NH1 ARG A 76 65.050 31.711-140.444 1.00 2.34 N ATOM 998 NH2 ARG A 76 63.898 30.145-141.598 1.00 3.14 N ATOM 0 H ARG A 76 58.867 32.508-138.381 1.00 0.28 H new ATOM 0 HA ARG A 76 59.961 30.868-136.432 1.00 0.31 H new ATOM 0 HB2 ARG A 76 60.913 31.597-138.718 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.549 33.010-137.898 1.00 0.35 H new ATOM 0 HG2 ARG A 76 62.691 31.459-136.230 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.146 30.093-137.183 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.767 32.382-138.399 1.00 1.00 H new ATOM 0 HD3 ARG A 76 64.530 30.970-137.696 1.00 1.00 H new ATOM 0 HE ARG A 76 62.643 29.862-139.478 1.00 1.51 H new ATOM 0 HH11 ARG A 76 65.215 32.228-139.581 1.00 2.34 H new ATOM 0 HH12 ARG A 76 65.621 31.899-141.268 1.00 2.34 H new ATOM 0 HH21 ARG A 76 63.163 29.439-141.637 1.00 3.14 H new ATOM 0 HH22 ARG A 76 64.469 30.333-142.422 1.00 3.14 H new ATOM 1012 N LEU A 77 60.408 34.063-135.691 1.00 0.30 N ATOM 1013 CA LEU A 77 60.719 34.948-134.533 1.00 0.31 C ATOM 1014 C LEU A 77 59.782 34.614-133.368 1.00 0.29 C ATOM 1015 O LEU A 77 60.214 34.257-132.290 1.00 0.30 O ATOM 1016 CB LEU A 77 60.540 36.408-134.944 1.00 0.35 C ATOM 1017 CG LEU A 77 61.815 36.890-135.634 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.502 38.109-136.497 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.855 37.269-134.577 1.00 0.38 C ATOM 0 H LEU A 77 60.199 34.542-136.567 1.00 0.30 H new ATOM 0 HA LEU A 77 61.751 34.789-134.219 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.687 36.508-135.616 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.330 37.023-134.069 1.00 0.35 H new ATOM 0 HG LEU A 77 62.208 36.092-136.264 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.413 38.451-136.988 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.762 37.841-137.251 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.107 38.908-135.869 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.765 37.613-135.069 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.460 38.066-133.947 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.082 36.399-133.961 1.00 0.38 H new ATOM 1031 N ILE A 78 58.504 34.719-133.586 1.00 0.29 N ATOM 1032 CA ILE A 78 57.517 34.405-132.514 1.00 0.32 C ATOM 1033 C ILE A 78 57.840 33.041-131.923 1.00 0.30 C ATOM 1034 O ILE A 78 57.873 32.863-130.728 1.00 0.32 O ATOM 1035 CB ILE A 78 56.118 34.374-133.112 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.744 35.785-133.544 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.121 33.877-132.064 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.813 35.713-134.747 1.00 0.37 C ATOM 0 H ILE A 78 58.094 35.013-134.472 1.00 0.29 H new ATOM 0 HA ILE A 78 57.565 35.166-131.735 1.00 0.32 H new ATOM 0 HB ILE A 78 56.094 33.702-133.970 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.257 36.312-132.724 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.641 36.350-133.797 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.120 33.856-132.495 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.400 32.873-131.744 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.132 34.548-131.205 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.543 36.722-135.059 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.317 35.202-135.567 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.911 35.163-134.477 1.00 0.37 H new ATOM 1050 N ARG A 79 58.108 32.087-132.762 1.00 0.29 N ATOM 1051 CA ARG A 79 58.469 30.732-132.245 1.00 0.32 C ATOM 1052 C ARG A 79 59.763 30.866-131.439 1.00 0.26 C ATOM 1053 O ARG A 79 59.991 30.149-130.485 1.00 0.26 O ATOM 1054 CB ARG A 79 58.681 29.769-133.416 1.00 0.38 C ATOM 1055 CG ARG A 79 59.659 28.666-133.001 1.00 0.39 C ATOM 1056 CD ARG A 79 59.725 27.595-134.092 1.00 0.39 C ATOM 1057 NE ARG A 79 58.343 27.233-134.540 1.00 1.50 N ATOM 1058 CZ ARG A 79 57.398 26.971-133.674 1.00 2.14 C ATOM 1059 NH1 ARG A 79 57.669 26.903-132.401 1.00 2.28 N ATOM 1060 NH2 ARG A 79 56.183 26.742-134.092 1.00 3.27 N ATOM 0 H ARG A 79 58.095 32.179-133.778 1.00 0.29 H new ATOM 0 HA ARG A 79 57.670 30.339-131.616 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.729 29.331-133.717 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.071 30.309-134.279 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.649 29.089-132.834 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.340 28.220-132.059 1.00 0.39 H new ATOM 0 HD2 ARG A 79 60.306 27.962-134.938 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.237 26.710-133.714 1.00 0.39 H new ATOM 0 HE ARG A 79 58.135 27.190-135.538 1.00 1.50 H new ATOM 0 HH11 ARG A 79 58.623 27.055-132.074 1.00 2.28 H new ATOM 0 HH12 ARG A 79 56.927 26.698-131.732 1.00 2.28 H new ATOM 0 HH21 ARG A 79 55.974 26.768-135.090 1.00 3.27 H new ATOM 0 HH22 ARG A 79 55.443 26.537-133.421 1.00 3.27 H new ATOM 1074 N ASN A 80 60.603 31.802-131.804 1.00 0.23 N ATOM 1075 CA ASN A 80 61.871 32.007-131.047 1.00 0.21 C ATOM 1076 C ASN A 80 61.541 32.759-129.761 1.00 0.21 C ATOM 1077 O ASN A 80 62.252 32.680-128.778 1.00 0.22 O ATOM 1078 CB ASN A 80 62.852 32.823-131.891 1.00 0.23 C ATOM 1079 CG ASN A 80 62.904 32.250-133.309 1.00 0.30 C ATOM 1080 OD1 ASN A 80 62.483 31.135-133.542 1.00 1.06 O ATOM 1081 ND2 ASN A 80 63.408 32.971-134.273 1.00 1.15 N ATOM 0 H ASN A 80 60.463 32.432-132.594 1.00 0.23 H new ATOM 0 HA ASN A 80 62.331 31.047-130.813 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.542 33.867-131.920 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.844 32.798-131.441 1.00 0.23 H new ATOM 0 HD21 ASN A 80 63.448 32.598-135.221 1.00 1.15 H new ATOM 0 HD22 ASN A 80 63.762 33.908-134.078 1.00 1.15 H new ATOM 1088 N LEU A 81 60.416 33.421-129.738 1.00 0.23 N ATOM 1089 CA LEU A 81 59.988 34.106-128.492 1.00 0.28 C ATOM 1090 C LEU A 81 59.408 33.005-127.624 1.00 0.30 C ATOM 1091 O LEU A 81 59.792 32.797-126.491 1.00 0.31 O ATOM 1092 CB LEU A 81 58.905 35.147-128.800 1.00 0.35 C ATOM 1093 CG LEU A 81 59.551 36.482-129.175 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.478 36.942-128.048 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.355 36.315-130.466 1.00 1.26 C ATOM 0 H LEU A 81 59.778 33.515-130.528 1.00 0.23 H new ATOM 0 HA LEU A 81 60.813 34.630-128.010 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.275 34.797-129.617 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.258 35.278-127.932 1.00 0.35 H new ATOM 0 HG LEU A 81 58.773 37.230-129.326 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.936 37.893-128.319 1.00 1.28 H new ATOM 0 HD12 LEU A 81 59.902 37.065-127.131 1.00 1.28 H new ATOM 0 HD13 LEU A 81 61.257 36.196-127.890 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.815 37.266-130.734 1.00 1.26 H new ATOM 0 HD22 LEU A 81 61.132 35.565-130.316 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.691 35.995-131.269 1.00 1.26 H new ATOM 1107 N ASN A 82 58.506 32.268-128.202 1.00 0.35 N ATOM 1108 CA ASN A 82 57.889 31.123-127.506 1.00 0.42 C ATOM 1109 C ASN A 82 58.999 30.286-126.883 1.00 0.37 C ATOM 1110 O ASN A 82 59.059 30.118-125.685 1.00 0.38 O ATOM 1111 CB ASN A 82 57.114 30.307-128.547 1.00 0.51 C ATOM 1112 CG ASN A 82 55.691 30.856-128.674 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.892 30.720-127.771 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.340 31.474-129.769 1.00 0.98 N ATOM 0 H ASN A 82 58.166 32.420-129.152 1.00 0.35 H new ATOM 0 HA ASN A 82 57.208 31.447-126.719 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.620 30.354-129.511 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.085 29.258-128.253 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.394 31.843-129.866 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.012 31.588-130.528 1.00 0.98 H new ATOM 1121 N VAL A 83 59.890 29.779-127.683 1.00 0.35 N ATOM 1122 CA VAL A 83 61.007 28.976-127.121 1.00 0.36 C ATOM 1123 C VAL A 83 61.693 29.797-126.030 1.00 0.32 C ATOM 1124 O VAL A 83 61.869 29.345-124.920 1.00 0.35 O ATOM 1125 CB VAL A 83 62.012 28.650-128.227 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.018 27.619-127.716 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.269 28.082-129.438 1.00 0.44 C ATOM 0 H VAL A 83 59.894 29.885-128.697 1.00 0.35 H new ATOM 0 HA VAL A 83 60.625 28.044-126.704 1.00 0.36 H new ATOM 0 HB VAL A 83 62.540 29.558-128.517 1.00 0.38 H new ATOM 0 HG11 VAL A 83 63.734 27.387-128.505 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.547 28.024-126.853 1.00 0.42 H new ATOM 0 HG13 VAL A 83 62.491 26.710-127.425 1.00 0.42 H new ATOM 0 HG21 VAL A 83 61.984 27.849-130.227 1.00 0.44 H new ATOM 0 HG22 VAL A 83 60.741 27.174-129.148 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.552 28.818-129.803 1.00 0.44 H new ATOM 1137 N ILE A 84 62.087 31.003-126.341 1.00 0.27 N ATOM 1138 CA ILE A 84 62.760 31.832-125.308 1.00 0.30 C ATOM 1139 C ILE A 84 61.990 31.700-123.997 1.00 0.31 C ATOM 1140 O ILE A 84 62.552 31.406-122.954 1.00 0.37 O ATOM 1141 CB ILE A 84 62.777 33.291-125.732 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.900 33.502-126.741 1.00 0.37 C ATOM 1143 CG2 ILE A 84 63.024 34.169-124.503 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.602 34.745-127.566 1.00 0.37 C ATOM 0 H ILE A 84 61.973 31.443-127.254 1.00 0.27 H new ATOM 0 HA ILE A 84 63.787 31.489-125.183 1.00 0.30 H new ATOM 0 HB ILE A 84 61.822 33.558-126.184 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.853 33.613-126.224 1.00 0.37 H new ATOM 0 HG13 ILE A 84 63.989 32.632-127.391 1.00 0.37 H new ATOM 0 HG21 ILE A 84 63.037 35.217-124.801 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.228 34.009-123.776 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.983 33.907-124.055 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.402 34.902-128.290 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.657 34.614-128.092 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.534 35.611-126.908 1.00 0.37 H new ATOM 1156 N LEU A 85 60.701 31.909-124.034 1.00 0.35 N ATOM 1157 CA LEU A 85 59.912 31.791-122.779 1.00 0.42 C ATOM 1158 C LEU A 85 59.943 30.340-122.311 1.00 0.42 C ATOM 1159 O LEU A 85 60.391 30.044-121.232 1.00 0.47 O ATOM 1160 CB LEU A 85 58.461 32.207-123.024 1.00 0.54 C ATOM 1161 CG LEU A 85 58.323 33.731-122.934 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.162 34.144-121.471 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.565 34.405-123.521 1.00 0.61 C ATOM 0 H LEU A 85 60.168 32.153-124.869 1.00 0.35 H new ATOM 0 HA LEU A 85 60.345 32.444-122.021 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.138 31.863-124.006 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.810 31.732-122.290 1.00 0.54 H new ATOM 0 HG LEU A 85 57.446 34.043-123.501 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.064 35.228-121.408 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.270 33.674-121.056 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.037 33.825-120.905 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.458 35.488-123.453 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.447 34.092-122.963 1.00 0.61 H new ATOM 0 HD23 LEU A 85 59.676 34.117-124.566 1.00 0.61 H new ATOM 1175 N ALA A 86 59.483 29.431-123.120 1.00 0.47 N ATOM 1176 CA ALA A 86 59.501 27.997-122.716 1.00 0.58 C ATOM 1177 C ALA A 86 60.887 27.650-122.167 1.00 0.59 C ATOM 1178 O ALA A 86 61.075 26.646-121.507 1.00 0.73 O ATOM 1179 CB ALA A 86 59.205 27.127-123.938 1.00 0.64 C ATOM 0 H ALA A 86 59.095 29.617-124.045 1.00 0.47 H new ATOM 0 HA ALA A 86 58.747 27.817-121.949 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.217 26.076-123.648 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.223 27.382-124.337 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.963 27.301-124.701 1.00 0.64 H new ATOM 1185 N LYS A 87 61.859 28.470-122.452 1.00 0.50 N ATOM 1186 CA LYS A 87 63.244 28.202-121.974 1.00 0.60 C ATOM 1187 C LYS A 87 63.418 28.757-120.567 1.00 0.58 C ATOM 1188 O LYS A 87 63.950 28.104-119.690 1.00 0.71 O ATOM 1189 CB LYS A 87 64.227 28.899-122.906 1.00 0.61 C ATOM 1190 CG LYS A 87 65.581 28.191-122.850 1.00 0.82 C ATOM 1191 CD LYS A 87 66.553 28.871-123.816 1.00 0.99 C ATOM 1192 CE LYS A 87 67.086 30.158-123.184 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.204 30.693-124.013 1.00 2.02 N ATOM 0 H LYS A 87 61.752 29.323-123.001 1.00 0.50 H new ATOM 0 HA LYS A 87 63.427 27.127-121.965 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.844 28.891-123.926 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.340 29.944-122.616 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.978 28.223-121.835 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.465 27.140-123.114 1.00 0.82 H new ATOM 0 HD2 LYS A 87 67.379 28.199-124.050 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.050 29.097-124.756 1.00 0.99 H new ATOM 0 HE2 LYS A 87 66.288 30.897-123.110 1.00 1.63 H new ATOM 0 HE3 LYS A 87 67.433 29.961-122.170 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 68.265 31.724-123.890 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 69.099 30.255-123.713 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 68.030 30.473-125.014 1.00 2.02 H new ATOM 1207 N TYR A 88 62.959 29.951-120.339 1.00 0.45 N ATOM 1208 CA TYR A 88 63.086 30.536-118.977 1.00 0.47 C ATOM 1209 C TYR A 88 61.971 29.968-118.105 1.00 0.54 C ATOM 1210 O TYR A 88 62.042 29.963-116.893 1.00 0.58 O ATOM 1211 CB TYR A 88 62.970 32.060-119.053 1.00 0.44 C ATOM 1212 CG TYR A 88 64.304 32.634-119.461 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.259 32.947-118.487 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.590 32.847-120.816 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.500 33.474-118.866 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.830 33.372-121.194 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.785 33.686-120.220 1.00 0.61 C ATOM 1218 OH TYR A 88 68.008 34.203-120.594 1.00 0.73 O ATOM 0 H TYR A 88 62.504 30.546-121.031 1.00 0.45 H new ATOM 0 HA TYR A 88 64.057 30.285-118.549 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.202 32.344-119.773 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.666 32.463-118.087 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.039 32.782-117.443 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.853 32.606-121.568 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.236 33.717-118.114 1.00 0.64 H new ATOM 0 HE2 TYR A 88 66.051 33.535-122.238 1.00 0.62 H new ATOM 0 HH TYR A 88 68.113 34.124-121.565 1.00 0.73 H new ATOM 1228 N GLY A 89 60.931 29.513-118.734 1.00 0.59 N ATOM 1229 CA GLY A 89 59.776 28.964-117.975 1.00 0.69 C ATOM 1230 C GLY A 89 58.892 30.132-117.547 1.00 0.77 C ATOM 1231 O GLY A 89 58.436 30.204-116.423 1.00 1.09 O ATOM 0 H GLY A 89 60.828 29.497-119.749 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.211 28.266-118.593 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.123 28.409-117.103 1.00 0.69 H new ATOM 1235 N LEU A 90 58.656 31.054-118.439 1.00 0.65 N ATOM 1236 CA LEU A 90 57.813 32.232-118.096 1.00 0.75 C ATOM 1237 C LEU A 90 56.549 32.260-118.968 1.00 0.80 C ATOM 1238 O LEU A 90 55.819 33.230-118.972 1.00 1.31 O ATOM 1239 CB LEU A 90 58.622 33.504-118.343 1.00 0.82 C ATOM 1240 CG LEU A 90 58.791 34.263-117.034 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.698 35.472-117.266 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.418 34.732-116.551 1.00 1.68 C ATOM 0 H LEU A 90 59.013 31.041-119.395 1.00 0.65 H new ATOM 0 HA LEU A 90 57.515 32.167-117.049 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.598 33.252-118.758 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.117 34.132-119.077 1.00 0.82 H new ATOM 0 HG LEU A 90 59.241 33.615-116.282 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.822 36.019-116.331 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.672 35.134-117.620 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.248 36.127-118.012 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.529 35.277-115.614 1.00 1.68 H new ATOM 0 HD22 LEU A 90 56.973 35.386-117.301 1.00 1.68 H new ATOM 0 HD23 LEU A 90 56.773 33.868-116.394 1.00 1.68 H new ATOM 1254 N ASP A 91 56.278 31.217-119.710 1.00 0.77 N ATOM 1255 CA ASP A 91 55.055 31.224-120.568 1.00 0.87 C ATOM 1256 C ASP A 91 54.106 30.091-120.173 1.00 1.30 C ATOM 1257 O ASP A 91 52.979 30.042-120.624 1.00 1.70 O ATOM 1258 CB ASP A 91 55.436 31.048-122.038 1.00 1.04 C ATOM 1259 CG ASP A 91 55.725 32.415-122.661 1.00 0.99 C ATOM 1260 OD1 ASP A 91 55.618 33.402-121.952 1.00 0.84 O ATOM 1261 OD2 ASP A 91 56.045 32.450-123.837 1.00 1.42 O ATOM 0 H ASP A 91 56.843 30.370-119.759 1.00 0.77 H new ATOM 0 HA ASP A 91 54.556 32.183-120.424 1.00 0.87 H new ATOM 0 HB2 ASP A 91 56.313 30.406-122.122 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.627 30.555-122.577 1.00 1.04 H new ATOM 1266 N GLY A 92 54.538 29.164-119.361 1.00 1.77 N ATOM 1267 CA GLY A 92 53.643 28.034-118.981 1.00 2.22 C ATOM 1268 C GLY A 92 52.247 28.536-118.608 1.00 2.72 C ATOM 1269 O GLY A 92 52.084 29.463-117.841 1.00 3.30 O ATOM 0 H GLY A 92 55.469 29.140-118.946 1.00 1.77 H new ATOM 0 HA2 GLY A 92 53.570 27.330-119.810 1.00 2.22 H new ATOM 0 HA3 GLY A 92 54.074 27.492-118.139 1.00 2.22 H new ATOM 1273 N LYS A 93 51.239 27.900-119.141 1.00 3.13 N ATOM 1274 CA LYS A 93 49.839 28.296-118.820 1.00 3.96 C ATOM 1275 C LYS A 93 49.248 27.257-117.866 1.00 4.22 C ATOM 1276 O LYS A 93 49.849 26.233-117.611 1.00 4.63 O ATOM 1277 CB LYS A 93 49.011 28.344-120.106 1.00 4.60 C ATOM 1278 CG LYS A 93 47.871 29.352-119.944 1.00 4.79 C ATOM 1279 CD LYS A 93 46.736 28.998-120.906 1.00 5.91 C ATOM 1280 CE LYS A 93 47.285 28.903-122.331 1.00 6.60 C ATOM 1281 NZ LYS A 93 46.159 28.985-123.303 1.00 6.86 N ATOM 0 H LYS A 93 51.327 27.118-119.790 1.00 3.13 H new ATOM 0 HA LYS A 93 49.826 29.281-118.354 1.00 3.96 H new ATOM 0 HB2 LYS A 93 49.643 28.627-120.948 1.00 4.60 H new ATOM 0 HB3 LYS A 93 48.608 27.356-120.328 1.00 4.60 H new ATOM 0 HG2 LYS A 93 47.507 29.343-118.917 1.00 4.79 H new ATOM 0 HG3 LYS A 93 48.232 30.361-120.146 1.00 4.79 H new ATOM 0 HD2 LYS A 93 46.282 28.051-120.616 1.00 5.91 H new ATOM 0 HD3 LYS A 93 45.953 29.755-120.856 1.00 5.91 H new ATOM 0 HE2 LYS A 93 47.996 29.709-122.513 1.00 6.60 H new ATOM 0 HE3 LYS A 93 47.825 27.966-122.462 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 46.531 28.920-124.272 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 45.497 28.201-123.134 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 45.662 29.891-123.183 1.00 6.86 H new ATOM 1295 N LYS A 94 48.080 27.497-117.336 1.00 4.52 N ATOM 1296 CA LYS A 94 47.475 26.504-116.405 1.00 5.25 C ATOM 1297 C LYS A 94 46.280 25.836-117.087 1.00 5.64 C ATOM 1298 O LYS A 94 46.432 24.905-117.854 1.00 6.30 O ATOM 1299 CB LYS A 94 47.009 27.215-115.132 1.00 6.00 C ATOM 1300 CG LYS A 94 48.209 27.871-114.446 1.00 6.18 C ATOM 1301 CD LYS A 94 47.728 28.685-113.243 1.00 7.02 C ATOM 1302 CE LYS A 94 48.936 29.251-112.494 1.00 7.55 C ATOM 1303 NZ LYS A 94 49.603 30.286-113.336 1.00 7.75 N ATOM 0 H LYS A 94 47.521 28.333-117.506 1.00 4.52 H new ATOM 0 HA LYS A 94 48.215 25.748-116.144 1.00 5.25 H new ATOM 0 HB2 LYS A 94 46.260 27.968-115.377 1.00 6.00 H new ATOM 0 HB3 LYS A 94 46.536 26.502-114.457 1.00 6.00 H new ATOM 0 HG2 LYS A 94 48.918 27.109-114.123 1.00 6.18 H new ATOM 0 HG3 LYS A 94 48.735 28.517-115.149 1.00 6.18 H new ATOM 0 HD2 LYS A 94 47.080 29.496-113.575 1.00 7.02 H new ATOM 0 HD3 LYS A 94 47.136 28.056-112.578 1.00 7.02 H new ATOM 0 HE2 LYS A 94 48.618 29.687-111.547 1.00 7.55 H new ATOM 0 HE3 LYS A 94 49.638 28.451-112.258 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 50.266 30.834-112.752 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 50.123 29.823-114.109 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 48.885 30.924-113.735 1.00 7.75 H new ATOM 1317 N ASP A 95 45.091 26.305-116.822 1.00 5.55 N ATOM 1318 CA ASP A 95 43.887 25.704-117.460 1.00 6.18 C ATOM 1319 C ASP A 95 42.821 26.793-117.606 1.00 6.72 C ATOM 1320 O ASP A 95 41.679 26.526-117.923 1.00 7.02 O ATOM 1321 CB ASP A 95 43.350 24.573-116.582 1.00 6.12 C ATOM 1322 CG ASP A 95 43.717 24.841-115.121 1.00 6.05 C ATOM 1323 OD1 ASP A 95 44.874 24.660-114.779 1.00 6.23 O ATOM 1324 OD2 ASP A 95 42.835 25.222-114.370 1.00 6.22 O ATOM 0 H ASP A 95 44.902 27.082-116.188 1.00 5.55 H new ATOM 0 HA ASP A 95 44.145 25.299-118.439 1.00 6.18 H new ATOM 0 HB2 ASP A 95 42.268 24.499-116.688 1.00 6.12 H new ATOM 0 HB3 ASP A 95 43.768 23.619-116.904 1.00 6.12 H new ATOM 1329 N ALA A 96 43.199 28.019-117.372 1.00 7.12 N ATOM 1330 CA ALA A 96 42.227 29.142-117.489 1.00 7.86 C ATOM 1331 C ALA A 96 42.737 30.346-116.694 1.00 8.30 C ATOM 1332 O ALA A 96 43.858 30.362-116.227 1.00 8.93 O ATOM 1333 CB ALA A 96 40.871 28.701-116.933 1.00 8.22 C ATOM 0 H ALA A 96 44.144 28.293-117.103 1.00 7.12 H new ATOM 0 HA ALA A 96 42.118 29.420-118.537 1.00 7.86 H new ATOM 0 HB1 ALA A 96 40.159 29.522-117.018 1.00 8.22 H new ATOM 0 HB2 ALA A 96 40.507 27.844-117.500 1.00 8.22 H new ATOM 0 HB3 ALA A 96 40.981 28.423-115.885 1.00 8.22 H new ATOM 1339 N ARG A 97 41.922 31.353-116.538 1.00 8.23 N ATOM 1340 CA ARG A 97 42.361 32.554-115.774 1.00 8.95 C ATOM 1341 C ARG A 97 43.593 33.164-116.448 1.00 9.53 C ATOM 1342 O ARG A 97 44.466 33.703-115.796 1.00 9.76 O ATOM 1343 CB ARG A 97 42.714 32.148-114.341 1.00 8.85 C ATOM 1344 CG ARG A 97 41.577 32.547-113.398 1.00 8.58 C ATOM 1345 CD ARG A 97 40.408 31.575-113.565 1.00 8.65 C ATOM 1346 NE ARG A 97 40.611 30.398-112.674 1.00 9.34 N ATOM 1347 CZ ARG A 97 39.618 29.590-112.423 1.00 9.46 C ATOM 1348 NH1 ARG A 97 38.446 29.812-112.954 1.00 9.01 N ATOM 1349 NH2 ARG A 97 39.795 28.560-111.642 1.00 10.30 N ATOM 0 H ARG A 97 40.972 31.396-116.906 1.00 8.23 H new ATOM 0 HA ARG A 97 41.555 33.287-115.756 1.00 8.95 H new ATOM 0 HB2 ARG A 97 42.883 31.072-114.288 1.00 8.85 H new ATOM 0 HB3 ARG A 97 43.641 32.631-114.034 1.00 8.85 H new ATOM 0 HG2 ARG A 97 41.927 32.537-112.366 1.00 8.58 H new ATOM 0 HG3 ARG A 97 41.251 33.564-113.615 1.00 8.58 H new ATOM 0 HD2 ARG A 97 39.469 32.072-113.320 1.00 8.65 H new ATOM 0 HD3 ARG A 97 40.336 31.251-114.603 1.00 8.65 H new ATOM 0 HE ARG A 97 41.527 30.224-112.260 1.00 9.34 H new ATOM 0 HH11 ARG A 97 38.307 30.617-113.565 1.00 9.01 H new ATOM 0 HH12 ARG A 97 37.669 29.180-112.758 1.00 9.01 H new ATOM 0 HH21 ARG A 97 40.710 28.386-111.227 1.00 10.30 H new ATOM 0 HH22 ARG A 97 39.018 27.929-111.446 1.00 10.30 H new ATOM 1363 N GLN A 98 43.670 33.083-117.748 1.00 9.97 N ATOM 1364 CA GLN A 98 44.846 33.658-118.461 1.00 10.76 C ATOM 1365 C GLN A 98 45.303 34.931-117.749 1.00 10.99 C ATOM 1366 O GLN A 98 44.489 35.531-117.066 1.00 11.00 O ATOM 1367 CB GLN A 98 44.453 33.992-119.903 1.00 11.07 C ATOM 1368 CG GLN A 98 43.478 35.171-119.906 1.00 11.38 C ATOM 1369 CD GLN A 98 42.768 35.241-121.259 1.00 11.58 C ATOM 1370 OE1 GLN A 98 42.587 36.310-121.807 1.00 11.67 O ATOM 1371 NE2 GLN A 98 42.355 34.139-121.824 1.00 11.85 N ATOM 0 H GLN A 98 42.971 32.644-118.347 1.00 9.97 H new ATOM 0 HA GLN A 98 45.660 32.933-118.464 1.00 10.76 H new ATOM 0 HB2 GLN A 98 45.341 34.239-120.485 1.00 11.07 H new ATOM 0 HB3 GLN A 98 43.993 33.125-120.376 1.00 11.07 H new ATOM 0 HG2 GLN A 98 42.748 35.055-119.105 1.00 11.38 H new ATOM 0 HG3 GLN A 98 44.014 36.101-119.716 1.00 11.38 H new ATOM 0 HE21 GLN A 98 42.507 33.242-121.363 1.00 11.85 H new ATOM 0 HE22 GLN A 98 41.880 34.175-122.726 1.00 11.85 H new TER 1380 GLN A 98