USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -13.7! C(o=-22!,f=-26!) USER MOD Set 1.2: A 80 ASN : amide:sc= -8.04! C(o=-22!,f=-29!) USER MOD Set 2.1: A 22 MET CE :methyl 176:sc= -3.73! (180deg=-0.428) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 170:sc= -7.04! (180deg=-2.17!) USER MOD Single : A 24 LYS NZ :NH3+ -119:sc= -9.44! (180deg=-10.1!) USER MOD Single : A 26 ASN : amide:sc= -4.87! C(o=-4.9!,f=-15!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= -0.106 (180deg=-0.71) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0715 F(o=-1.5,f=-0.071) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.396 F(o=-1.9,f=-0.4) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -1.03 F(o=-4.7!,f=-1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -106:sc= -3.76! (180deg=-8.71!) USER MOD Single : A 73 LYS NZ :NH3+ -148:sc= -2.56 (180deg=-4.83!) USER MOD Single : A 82 ASN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 165:sc= -6.3! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc=-0.00817 K(o=-0.0082,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 17 62.536 55.970-120.284 1.00 3.57 N ATOM 2 CA GLY A 17 63.488 54.925-120.866 1.00 2.94 C ATOM 3 C GLY A 17 62.957 53.588-121.257 1.00 2.17 C ATOM 4 O GLY A 17 62.377 52.883-120.456 1.00 2.41 O ATOM 0 HA2 GLY A 17 63.954 55.363-121.749 1.00 2.94 H new ATOM 0 HA3 GLY A 17 64.280 54.761-120.135 1.00 2.94 H new ATOM 8 N GLU A 18 63.137 53.205-122.491 1.00 1.64 N ATOM 9 CA GLU A 18 62.628 51.879-122.941 1.00 0.99 C ATOM 10 C GLU A 18 63.806 50.987-123.338 1.00 0.98 C ATOM 11 O GLU A 18 64.945 51.411-123.342 1.00 1.60 O ATOM 12 CB GLU A 18 61.704 52.069-124.145 1.00 1.22 C ATOM 13 CG GLU A 18 60.378 52.673-123.682 1.00 1.64 C ATOM 14 CD GLU A 18 59.461 52.876-124.890 1.00 2.48 C ATOM 15 OE1 GLU A 18 59.602 53.890-125.553 1.00 3.13 O ATOM 16 OE2 GLU A 18 58.632 52.014-125.130 1.00 3.09 O ATOM 0 H GLU A 18 63.614 53.753-123.207 1.00 1.64 H new ATOM 0 HA GLU A 18 62.074 51.408-122.129 1.00 0.99 H new ATOM 0 HB2 GLU A 18 62.176 52.722-124.879 1.00 1.22 H new ATOM 0 HB3 GLU A 18 61.528 51.112-124.636 1.00 1.22 H new ATOM 0 HG2 GLU A 18 59.900 52.015-122.956 1.00 1.64 H new ATOM 0 HG3 GLU A 18 60.555 53.625-123.182 1.00 1.64 H new ATOM 23 N GLU A 19 63.541 49.755-123.672 1.00 0.57 N ATOM 24 CA GLU A 19 64.644 48.835-124.069 1.00 0.55 C ATOM 25 C GLU A 19 64.524 48.517-125.562 1.00 0.56 C ATOM 26 O GLU A 19 65.459 48.679-126.321 1.00 0.63 O ATOM 27 CB GLU A 19 64.556 47.541-123.246 1.00 0.45 C ATOM 28 CG GLU A 19 63.116 47.023-123.224 1.00 0.38 C ATOM 29 CD GLU A 19 62.213 48.036-122.522 1.00 1.26 C ATOM 30 OE1 GLU A 19 62.723 48.798-121.716 1.00 1.96 O ATOM 31 OE2 GLU A 19 61.025 48.035-122.800 1.00 2.06 O ATOM 0 H GLU A 19 62.607 49.345-123.687 1.00 0.57 H new ATOM 0 HA GLU A 19 65.606 49.310-123.879 1.00 0.55 H new ATOM 0 HB2 GLU A 19 65.215 46.785-123.673 1.00 0.45 H new ATOM 0 HB3 GLU A 19 64.899 47.725-122.228 1.00 0.45 H new ATOM 0 HG2 GLU A 19 62.765 46.853-124.242 1.00 0.38 H new ATOM 0 HG3 GLU A 19 63.072 46.064-122.708 1.00 0.38 H new ATOM 38 N PHE A 20 63.377 48.069-125.984 1.00 0.51 N ATOM 39 CA PHE A 20 63.175 47.742-127.424 1.00 0.54 C ATOM 40 C PHE A 20 62.112 48.679-127.983 1.00 0.55 C ATOM 41 O PHE A 20 61.691 49.601-127.311 1.00 0.57 O ATOM 42 CB PHE A 20 62.701 46.297-127.543 1.00 0.52 C ATOM 43 CG PHE A 20 63.574 45.430-126.673 1.00 0.52 C ATOM 44 CD1 PHE A 20 64.914 45.224-127.011 1.00 0.80 C ATOM 45 CD2 PHE A 20 63.043 44.839-125.524 1.00 0.49 C ATOM 46 CE1 PHE A 20 65.726 44.424-126.197 1.00 0.82 C ATOM 47 CE2 PHE A 20 63.852 44.039-124.708 1.00 0.51 C ATOM 48 CZ PHE A 20 65.194 43.830-125.046 1.00 0.56 C ATOM 0 H PHE A 20 62.563 47.913-125.389 1.00 0.51 H new ATOM 0 HA PHE A 20 64.105 47.862-127.979 1.00 0.54 H new ATOM 0 HB2 PHE A 20 61.659 46.214-127.234 1.00 0.52 H new ATOM 0 HB3 PHE A 20 62.753 45.966-128.580 1.00 0.52 H new ATOM 0 HD1 PHE A 20 65.323 45.681-127.900 1.00 0.80 H new ATOM 0 HD2 PHE A 20 62.007 44.999-125.265 1.00 0.49 H new ATOM 0 HE1 PHE A 20 66.762 44.265-126.457 1.00 0.82 H new ATOM 0 HE2 PHE A 20 63.441 43.584-123.819 1.00 0.51 H new ATOM 0 HZ PHE A 20 65.819 43.211-124.419 1.00 0.56 H new ATOM 58 N ARG A 21 61.653 48.478-129.189 1.00 0.57 N ATOM 59 CA ARG A 21 60.612 49.387-129.738 1.00 0.60 C ATOM 60 C ARG A 21 59.402 48.534-130.108 1.00 0.57 C ATOM 61 O ARG A 21 58.461 48.988-130.729 1.00 0.59 O ATOM 62 CB ARG A 21 61.147 50.050-131.004 1.00 0.69 C ATOM 63 CG ARG A 21 62.567 50.567-130.762 1.00 0.74 C ATOM 64 CD ARG A 21 62.572 51.518-129.566 1.00 0.82 C ATOM 65 NE ARG A 21 63.388 52.726-129.886 1.00 1.35 N ATOM 66 CZ ARG A 21 64.514 52.615-130.542 1.00 1.78 C ATOM 67 NH1 ARG A 21 64.970 51.438-130.873 1.00 2.06 N ATOM 68 NH2 ARG A 21 65.194 53.684-130.850 1.00 2.72 N ATOM 0 H ARG A 21 61.953 47.728-129.812 1.00 0.57 H new ATOM 0 HA ARG A 21 60.344 50.151-129.008 1.00 0.60 H new ATOM 0 HB2 ARG A 21 61.146 49.335-131.827 1.00 0.69 H new ATOM 0 HB3 ARG A 21 60.496 50.874-131.296 1.00 0.69 H new ATOM 0 HG2 ARG A 21 63.242 49.731-130.577 1.00 0.74 H new ATOM 0 HG3 ARG A 21 62.933 51.082-131.650 1.00 0.74 H new ATOM 0 HD2 ARG A 21 61.552 51.812-129.319 1.00 0.82 H new ATOM 0 HD3 ARG A 21 62.980 51.014-128.690 1.00 0.82 H new ATOM 0 HE ARG A 21 63.064 53.647-129.590 1.00 1.35 H new ATOM 0 HH11 ARG A 21 64.448 50.599-130.620 1.00 2.06 H new ATOM 0 HH12 ARG A 21 65.849 51.357-131.385 1.00 2.06 H new ATOM 0 HH21 ARG A 21 64.848 54.604-130.579 1.00 2.72 H new ATOM 0 HH22 ARG A 21 66.072 53.600-131.362 1.00 2.72 H new ATOM 82 N MET A 22 59.434 47.295-129.715 1.00 0.54 N ATOM 83 CA MET A 22 58.304 46.375-130.014 1.00 0.55 C ATOM 84 C MET A 22 57.480 46.178-128.745 1.00 0.49 C ATOM 85 O MET A 22 58.016 46.042-127.662 1.00 0.63 O ATOM 86 CB MET A 22 58.852 45.025-130.483 1.00 0.61 C ATOM 87 CG MET A 22 59.554 45.197-131.831 1.00 0.71 C ATOM 88 SD MET A 22 58.395 44.816-133.168 1.00 1.14 S ATOM 89 CE MET A 22 58.156 46.513-133.753 1.00 1.25 C ATOM 0 H MET A 22 60.203 46.875-129.193 1.00 0.54 H new ATOM 0 HA MET A 22 57.679 46.800-130.800 1.00 0.55 H new ATOM 0 HB2 MET A 22 59.550 44.629-129.746 1.00 0.61 H new ATOM 0 HB3 MET A 22 58.040 44.303-130.574 1.00 0.61 H new ATOM 0 HG2 MET A 22 59.922 46.218-131.934 1.00 0.71 H new ATOM 0 HG3 MET A 22 60.421 44.539-131.888 1.00 0.71 H new ATOM 0 HE1 MET A 22 57.518 46.507-134.637 1.00 1.25 H new ATOM 0 HE2 MET A 22 57.684 47.105-132.969 1.00 1.25 H new ATOM 0 HE3 MET A 22 59.122 46.950-134.005 1.00 1.25 H new ATOM 99 N GLU A 23 56.184 46.176-128.860 1.00 0.47 N ATOM 100 CA GLU A 23 55.338 46.004-127.649 1.00 0.46 C ATOM 101 C GLU A 23 55.527 44.605-127.069 1.00 0.50 C ATOM 102 O GLU A 23 55.651 44.440-125.872 1.00 0.50 O ATOM 103 CB GLU A 23 53.868 46.217-128.013 1.00 0.50 C ATOM 104 CG GLU A 23 53.693 47.598-128.647 1.00 1.45 C ATOM 105 CD GLU A 23 52.229 47.796-129.045 1.00 2.02 C ATOM 106 OE1 GLU A 23 51.443 46.896-128.799 1.00 2.48 O ATOM 107 OE2 GLU A 23 51.919 48.844-129.587 1.00 2.68 O ATOM 0 H GLU A 23 55.675 46.286-129.737 1.00 0.47 H new ATOM 0 HA GLU A 23 55.636 46.739-126.902 1.00 0.46 H new ATOM 0 HB2 GLU A 23 53.538 45.443-128.706 1.00 0.50 H new ATOM 0 HB3 GLU A 23 53.246 46.133-127.122 1.00 0.50 H new ATOM 0 HG2 GLU A 23 53.998 48.374-127.944 1.00 1.45 H new ATOM 0 HG3 GLU A 23 54.335 47.691-129.523 1.00 1.45 H new ATOM 114 N LYS A 24 55.553 43.590-127.889 1.00 0.54 N ATOM 115 CA LYS A 24 55.736 42.218-127.347 1.00 0.59 C ATOM 116 C LYS A 24 56.989 42.179-126.479 1.00 0.53 C ATOM 117 O LYS A 24 56.958 41.750-125.342 1.00 0.55 O ATOM 118 CB LYS A 24 55.889 41.229-128.503 1.00 0.67 C ATOM 119 CG LYS A 24 56.951 41.747-129.474 1.00 0.64 C ATOM 120 CD LYS A 24 56.707 41.153-130.863 1.00 0.77 C ATOM 121 CE LYS A 24 58.025 41.097-131.635 1.00 1.46 C ATOM 122 NZ LYS A 24 58.573 42.474-131.784 1.00 2.09 N ATOM 0 H LYS A 24 55.456 43.652-128.902 1.00 0.54 H new ATOM 0 HA LYS A 24 54.867 41.946-126.747 1.00 0.59 H new ATOM 0 HB2 LYS A 24 56.175 40.248-128.122 1.00 0.67 H new ATOM 0 HB3 LYS A 24 54.937 41.105-129.019 1.00 0.67 H new ATOM 0 HG2 LYS A 24 56.916 42.835-129.521 1.00 0.64 H new ATOM 0 HG3 LYS A 24 57.946 41.475-129.120 1.00 0.64 H new ATOM 0 HD2 LYS A 24 56.284 40.153-130.773 1.00 0.77 H new ATOM 0 HD3 LYS A 24 55.981 41.758-131.406 1.00 0.77 H new ATOM 0 HE2 LYS A 24 58.740 40.465-131.109 1.00 1.46 H new ATOM 0 HE3 LYS A 24 57.865 40.650-132.616 1.00 1.46 H new ATOM 0 HZ1 LYS A 24 58.645 42.711-132.794 1.00 2.09 H new ATOM 0 HZ2 LYS A 24 57.940 43.152-131.313 1.00 2.09 H new ATOM 0 HZ3 LYS A 24 59.516 42.521-131.349 1.00 2.09 H new ATOM 136 N LEU A 25 58.096 42.623-127.004 1.00 0.47 N ATOM 137 CA LEU A 25 59.359 42.615-126.221 1.00 0.42 C ATOM 138 C LEU A 25 59.203 43.472-124.966 1.00 0.39 C ATOM 139 O LEU A 25 59.404 43.016-123.865 1.00 0.55 O ATOM 140 CB LEU A 25 60.471 43.214-127.081 1.00 0.43 C ATOM 141 CG LEU A 25 61.119 42.135-127.944 1.00 0.57 C ATOM 142 CD1 LEU A 25 61.137 42.599-129.403 1.00 0.92 C ATOM 143 CD2 LEU A 25 62.554 41.914-127.464 1.00 1.03 C ATOM 0 H LEU A 25 58.179 42.994-127.950 1.00 0.47 H new ATOM 0 HA LEU A 25 59.599 41.591-125.934 1.00 0.42 H new ATOM 0 HB2 LEU A 25 60.064 44.000-127.716 1.00 0.43 H new ATOM 0 HB3 LEU A 25 61.223 43.678-126.442 1.00 0.43 H new ATOM 0 HG LEU A 25 60.555 41.206-127.865 1.00 0.57 H new ATOM 0 HD11 LEU A 25 61.599 41.831-130.023 1.00 0.92 H new ATOM 0 HD12 LEU A 25 60.116 42.773-129.742 1.00 0.92 H new ATOM 0 HD13 LEU A 25 61.709 43.523-129.484 1.00 0.92 H new ATOM 0 HD21 LEU A 25 63.027 41.144-128.074 1.00 1.03 H new ATOM 0 HD22 LEU A 25 63.115 42.844-127.554 1.00 1.03 H new ATOM 0 HD23 LEU A 25 62.544 41.596-126.422 1.00 1.03 H new ATOM 155 N ASN A 26 58.854 44.714-125.134 1.00 0.39 N ATOM 156 CA ASN A 26 58.699 45.592-123.940 1.00 0.37 C ATOM 157 C ASN A 26 57.814 44.859-122.935 1.00 0.40 C ATOM 158 O ASN A 26 58.192 44.612-121.807 1.00 0.40 O ATOM 159 CB ASN A 26 58.046 46.916-124.328 1.00 0.41 C ATOM 160 CG ASN A 26 58.718 47.463-125.588 1.00 0.55 C ATOM 161 OD1 ASN A 26 59.499 46.779-126.220 1.00 1.21 O ATOM 162 ND2 ASN A 26 58.449 48.677-125.982 1.00 0.45 N ATOM 0 H ASN A 26 58.671 45.157-126.034 1.00 0.39 H new ATOM 0 HA ASN A 26 59.677 45.811-123.510 1.00 0.37 H new ATOM 0 HB2 ASN A 26 56.980 46.771-124.505 1.00 0.41 H new ATOM 0 HB3 ASN A 26 58.139 47.633-123.512 1.00 0.41 H new ATOM 0 HD21 ASN A 26 58.894 49.052-126.820 1.00 0.45 H new ATOM 0 HD22 ASN A 26 57.794 49.252-125.452 1.00 0.45 H new ATOM 169 N GLN A 27 56.638 44.512-123.357 1.00 0.44 N ATOM 170 CA GLN A 27 55.705 43.792-122.457 1.00 0.50 C ATOM 171 C GLN A 27 56.464 42.666-121.755 1.00 0.47 C ATOM 172 O GLN A 27 56.443 42.547-120.543 1.00 0.48 O ATOM 173 CB GLN A 27 54.554 43.200-123.276 1.00 0.59 C ATOM 174 CG GLN A 27 53.571 44.311-123.653 1.00 0.58 C ATOM 175 CD GLN A 27 52.405 44.319-122.663 1.00 1.39 C ATOM 176 OE1 GLN A 27 52.388 45.098-121.731 1.00 2.21 O ATOM 177 NE2 GLN A 27 51.421 43.479-122.828 1.00 2.02 N ATOM 0 H GLN A 27 56.279 44.697-124.294 1.00 0.44 H new ATOM 0 HA GLN A 27 55.300 44.483-121.718 1.00 0.50 H new ATOM 0 HB2 GLN A 27 54.942 42.722-124.176 1.00 0.59 H new ATOM 0 HB3 GLN A 27 54.043 42.428-122.700 1.00 0.59 H new ATOM 0 HG2 GLN A 27 54.076 45.277-123.644 1.00 0.58 H new ATOM 0 HG3 GLN A 27 53.201 44.155-124.666 1.00 0.58 H new ATOM 0 HE21 GLN A 27 51.435 42.825-123.610 1.00 2.02 H new ATOM 0 HE22 GLN A 27 50.638 43.476-122.175 1.00 2.02 H new ATOM 186 N LEU A 28 57.128 41.827-122.506 1.00 0.47 N ATOM 187 CA LEU A 28 57.874 40.692-121.887 1.00 0.47 C ATOM 188 C LEU A 28 58.959 41.208-120.942 1.00 0.39 C ATOM 189 O LEU A 28 59.094 40.734-119.830 1.00 0.50 O ATOM 190 CB LEU A 28 58.524 39.854-122.989 1.00 0.50 C ATOM 191 CG LEU A 28 57.436 39.215-123.855 1.00 0.62 C ATOM 192 CD1 LEU A 28 58.008 38.892-125.236 1.00 1.41 C ATOM 193 CD2 LEU A 28 56.949 37.925-123.191 1.00 1.21 C ATOM 0 H LEU A 28 57.186 41.879-123.523 1.00 0.47 H new ATOM 0 HA LEU A 28 57.172 40.084-121.316 1.00 0.47 H new ATOM 0 HB2 LEU A 28 59.171 40.481-123.603 1.00 0.50 H new ATOM 0 HB3 LEU A 28 59.154 39.081-122.549 1.00 0.50 H new ATOM 0 HG LEU A 28 56.601 39.908-123.960 1.00 0.62 H new ATOM 0 HD11 LEU A 28 57.233 38.437-125.853 1.00 1.41 H new ATOM 0 HD12 LEU A 28 58.356 39.810-125.709 1.00 1.41 H new ATOM 0 HD13 LEU A 28 58.842 38.199-125.131 1.00 1.41 H new ATOM 0 HD21 LEU A 28 56.174 37.469-123.807 1.00 1.21 H new ATOM 0 HD22 LEU A 28 57.784 37.232-123.086 1.00 1.21 H new ATOM 0 HD23 LEU A 28 56.542 38.154-122.206 1.00 1.21 H new ATOM 205 N TRP A 29 59.738 42.171-121.355 1.00 0.37 N ATOM 206 CA TRP A 29 60.804 42.709-120.473 1.00 0.30 C ATOM 207 C TRP A 29 60.172 43.141-119.155 1.00 0.36 C ATOM 208 O TRP A 29 60.489 42.628-118.093 1.00 0.39 O ATOM 209 CB TRP A 29 61.406 43.916-121.205 1.00 0.32 C ATOM 210 CG TRP A 29 62.591 44.473-120.491 1.00 0.29 C ATOM 211 CD1 TRP A 29 62.804 45.791-120.305 1.00 0.32 C ATOM 212 CD2 TRP A 29 63.734 43.786-119.901 1.00 0.29 C ATOM 213 NE1 TRP A 29 63.993 45.966-119.632 1.00 0.34 N ATOM 214 CE2 TRP A 29 64.604 44.761-119.358 1.00 0.33 C ATOM 215 CE3 TRP A 29 64.098 42.433-119.778 1.00 0.31 C ATOM 216 CZ2 TRP A 29 65.789 44.410-118.719 1.00 0.38 C ATOM 217 CZ3 TRP A 29 65.292 42.077-119.136 1.00 0.37 C ATOM 218 CH2 TRP A 29 66.135 43.064-118.606 1.00 0.41 C ATOM 0 H TRP A 29 59.678 42.609-122.274 1.00 0.37 H new ATOM 0 HA TRP A 29 61.577 41.971-120.258 1.00 0.30 H new ATOM 0 HB2 TRP A 29 61.697 43.620-122.213 1.00 0.32 H new ATOM 0 HB3 TRP A 29 60.648 44.692-121.308 1.00 0.32 H new ATOM 0 HD1 TRP A 29 62.147 46.584-120.632 1.00 0.32 H new ATOM 0 HE1 TRP A 29 64.374 46.875-119.369 1.00 0.34 H new ATOM 0 HE3 TRP A 29 63.454 41.665-120.180 1.00 0.31 H new ATOM 0 HZ2 TRP A 29 66.436 45.174-118.314 1.00 0.38 H new ATOM 0 HZ3 TRP A 29 65.564 41.036-119.049 1.00 0.37 H new ATOM 0 HH2 TRP A 29 67.052 42.782-118.110 1.00 0.41 H new ATOM 229 N GLU A 30 59.284 44.089-119.218 1.00 0.45 N ATOM 230 CA GLU A 30 58.628 44.566-117.979 1.00 0.56 C ATOM 231 C GLU A 30 58.232 43.340-117.155 1.00 0.50 C ATOM 232 O GLU A 30 58.453 43.278-115.962 1.00 0.52 O ATOM 233 CB GLU A 30 57.376 45.371-118.340 1.00 0.68 C ATOM 234 CG GLU A 30 57.760 46.832-118.578 1.00 0.86 C ATOM 235 CD GLU A 30 58.041 47.513-117.238 1.00 1.53 C ATOM 236 OE1 GLU A 30 57.649 46.961-116.222 1.00 2.33 O ATOM 237 OE2 GLU A 30 58.643 48.574-117.248 1.00 2.06 O ATOM 0 H GLU A 30 58.985 44.553-120.076 1.00 0.45 H new ATOM 0 HA GLU A 30 59.304 45.204-117.410 1.00 0.56 H new ATOM 0 HB2 GLU A 30 56.909 44.956-119.234 1.00 0.68 H new ATOM 0 HB3 GLU A 30 56.643 45.303-117.536 1.00 0.68 H new ATOM 0 HG2 GLU A 30 58.641 46.888-119.217 1.00 0.86 H new ATOM 0 HG3 GLU A 30 56.955 47.350-119.099 1.00 0.86 H new ATOM 244 N LYS A 31 57.655 42.360-117.795 1.00 0.46 N ATOM 245 CA LYS A 31 57.247 41.127-117.063 1.00 0.45 C ATOM 246 C LYS A 31 58.465 40.505-116.367 1.00 0.43 C ATOM 247 O LYS A 31 58.433 40.211-115.184 1.00 0.46 O ATOM 248 CB LYS A 31 56.657 40.119-118.054 1.00 0.44 C ATOM 249 CG LYS A 31 55.130 40.215-118.043 1.00 0.91 C ATOM 250 CD LYS A 31 54.601 40.114-119.476 1.00 0.99 C ATOM 251 CE LYS A 31 54.973 38.752-120.063 1.00 1.36 C ATOM 252 NZ LYS A 31 54.399 37.670-119.214 1.00 2.08 N ATOM 0 H LYS A 31 57.448 42.360-118.794 1.00 0.46 H new ATOM 0 HA LYS A 31 56.500 41.386-116.313 1.00 0.45 H new ATOM 0 HB2 LYS A 31 57.036 40.317-119.057 1.00 0.44 H new ATOM 0 HB3 LYS A 31 56.969 39.109-117.789 1.00 0.44 H new ATOM 0 HG2 LYS A 31 54.709 39.417-117.432 1.00 0.91 H new ATOM 0 HG3 LYS A 31 54.818 41.158-117.594 1.00 0.91 H new ATOM 0 HD2 LYS A 31 53.519 40.242-119.485 1.00 0.99 H new ATOM 0 HD3 LYS A 31 55.022 40.912-120.087 1.00 0.99 H new ATOM 0 HE2 LYS A 31 54.595 38.668-121.082 1.00 1.36 H new ATOM 0 HE3 LYS A 31 56.057 38.651-120.116 1.00 1.36 H new ATOM 0 HZ1 LYS A 31 54.082 36.885-119.819 1.00 2.08 H new ATOM 0 HZ2 LYS A 31 55.124 37.326-118.552 1.00 2.08 H new ATOM 0 HZ3 LYS A 31 53.589 38.042-118.678 1.00 2.08 H new ATOM 266 N ALA A 32 59.539 40.288-117.082 1.00 0.41 N ATOM 267 CA ALA A 32 60.732 39.674-116.431 1.00 0.41 C ATOM 268 C ALA A 32 61.133 40.509-115.220 1.00 0.41 C ATOM 269 O ALA A 32 61.107 40.036-114.095 1.00 0.42 O ATOM 270 CB ALA A 32 61.906 39.613-117.409 1.00 0.42 C ATOM 0 H ALA A 32 59.641 40.506-118.073 1.00 0.41 H new ATOM 0 HA ALA A 32 60.478 38.661-116.120 1.00 0.41 H new ATOM 0 HB1 ALA A 32 62.767 39.162-116.916 1.00 0.42 H new ATOM 0 HB2 ALA A 32 61.628 39.012-118.275 1.00 0.42 H new ATOM 0 HB3 ALA A 32 62.161 40.621-117.734 1.00 0.42 H new ATOM 276 N GLN A 33 61.499 41.750-115.409 1.00 0.43 N ATOM 277 CA GLN A 33 61.882 42.563-114.229 1.00 0.47 C ATOM 278 C GLN A 33 60.835 42.348-113.145 1.00 0.49 C ATOM 279 O GLN A 33 61.140 42.292-111.971 1.00 0.53 O ATOM 280 CB GLN A 33 61.944 44.042-114.620 1.00 0.51 C ATOM 281 CG GLN A 33 63.074 44.255-115.634 1.00 0.53 C ATOM 282 CD GLN A 33 62.925 45.634-116.280 1.00 0.75 C ATOM 283 OE1 GLN A 33 61.741 46.051-116.634 1.00 1.17 O flip ATOM 284 NE2 GLN A 33 63.898 46.340-116.462 1.00 1.23 N flip ATOM 0 H GLN A 33 61.547 42.223-116.311 1.00 0.43 H new ATOM 0 HA GLN A 33 62.863 42.263-113.862 1.00 0.47 H new ATOM 0 HB2 GLN A 33 60.992 44.356-115.049 1.00 0.51 H new ATOM 0 HB3 GLN A 33 62.114 44.656-113.736 1.00 0.51 H new ATOM 0 HG2 GLN A 33 64.042 44.176-115.138 1.00 0.53 H new ATOM 0 HG3 GLN A 33 63.043 43.478-116.398 1.00 0.53 H new ATOM 0 HE21 GLN A 33 64.824 46.014-116.185 1.00 1.23 H new ATOM 0 HE22 GLN A 33 63.788 47.259-116.892 1.00 1.23 H new ATOM 293 N ARG A 34 59.597 42.204-113.535 1.00 0.49 N ATOM 294 CA ARG A 34 58.532 41.966-112.531 1.00 0.52 C ATOM 295 C ARG A 34 58.854 40.680-111.785 1.00 0.52 C ATOM 296 O ARG A 34 58.687 40.584-110.585 1.00 0.55 O ATOM 297 CB ARG A 34 57.184 41.827-113.234 1.00 0.56 C ATOM 298 CG ARG A 34 56.260 42.969-112.805 1.00 0.67 C ATOM 299 CD ARG A 34 54.860 42.731-113.374 1.00 1.59 C ATOM 300 NE ARG A 34 54.360 43.982-114.019 1.00 1.96 N ATOM 301 CZ ARG A 34 54.558 45.146-113.458 1.00 2.81 C ATOM 302 NH1 ARG A 34 55.143 45.225-112.295 1.00 3.42 N ATOM 303 NH2 ARG A 34 54.152 46.232-114.057 1.00 3.58 N ATOM 0 H ARG A 34 59.282 42.241-114.504 1.00 0.49 H new ATOM 0 HA ARG A 34 58.481 42.802-111.834 1.00 0.52 H new ATOM 0 HB2 ARG A 34 57.323 41.845-114.315 1.00 0.56 H new ATOM 0 HB3 ARG A 34 56.731 40.867-112.987 1.00 0.56 H new ATOM 0 HG2 ARG A 34 56.217 43.028-111.717 1.00 0.67 H new ATOM 0 HG3 ARG A 34 56.652 43.922-113.161 1.00 0.67 H new ATOM 0 HD2 ARG A 34 54.886 41.920-114.102 1.00 1.59 H new ATOM 0 HD3 ARG A 34 54.181 42.424-112.579 1.00 1.59 H new ATOM 0 HE ARG A 34 53.859 43.928-114.906 1.00 1.96 H new ATOM 0 HH11 ARG A 34 55.448 44.376-111.819 1.00 3.42 H new ATOM 0 HH12 ARG A 34 55.295 46.136-111.861 1.00 3.42 H new ATOM 0 HH21 ARG A 34 53.682 46.171-114.960 1.00 3.58 H new ATOM 0 HH22 ARG A 34 54.305 47.142-113.622 1.00 3.58 H new ATOM 317 N LEU A 35 59.357 39.699-112.480 1.00 0.50 N ATOM 318 CA LEU A 35 59.736 38.437-111.793 1.00 0.54 C ATOM 319 C LEU A 35 61.029 38.714-111.038 1.00 0.55 C ATOM 320 O LEU A 35 61.464 37.948-110.200 1.00 0.61 O ATOM 321 CB LEU A 35 59.953 37.326-112.821 1.00 0.57 C ATOM 322 CG LEU A 35 58.613 36.667-113.146 1.00 0.68 C ATOM 323 CD1 LEU A 35 57.887 37.486-114.215 1.00 1.20 C ATOM 324 CD2 LEU A 35 58.859 35.249-113.666 1.00 0.84 C ATOM 0 H LEU A 35 59.521 39.717-113.487 1.00 0.50 H new ATOM 0 HA LEU A 35 58.950 38.112-111.111 1.00 0.54 H new ATOM 0 HB2 LEU A 35 60.399 37.736-113.727 1.00 0.57 H new ATOM 0 HB3 LEU A 35 60.650 36.585-112.430 1.00 0.57 H new ATOM 0 HG LEU A 35 57.999 36.624-112.246 1.00 0.68 H new ATOM 0 HD11 LEU A 35 56.931 37.016-114.447 1.00 1.20 H new ATOM 0 HD12 LEU A 35 57.714 38.496-113.844 1.00 1.20 H new ATOM 0 HD13 LEU A 35 58.498 37.530-115.117 1.00 1.20 H new ATOM 0 HD21 LEU A 35 57.905 34.776-113.899 1.00 0.84 H new ATOM 0 HD22 LEU A 35 59.471 35.293-114.567 1.00 0.84 H new ATOM 0 HD23 LEU A 35 59.376 34.666-112.904 1.00 0.84 H new ATOM 336 N HIS A 36 61.627 39.835-111.331 1.00 0.53 N ATOM 337 CA HIS A 36 62.891 40.234-110.638 1.00 0.58 C ATOM 338 C HIS A 36 64.005 39.212-110.885 1.00 0.49 C ATOM 339 O HIS A 36 64.506 38.588-109.970 1.00 1.37 O ATOM 340 CB HIS A 36 62.632 40.349-109.134 1.00 0.98 C ATOM 341 CG HIS A 36 62.112 41.724-108.818 1.00 1.43 C ATOM 342 ND1 HIS A 36 61.002 42.407-109.248 1.00 1.89 N flip ATOM 343 CD2 HIS A 36 62.767 42.579-107.944 1.00 1.60 C flip ATOM 344 CE1 HIS A 36 60.965 43.665-108.654 1.00 2.32 C flip ATOM 345 NE2 HIS A 36 62.051 43.716-107.878 1.00 2.17 N flip ATOM 0 H HIS A 36 61.293 40.501-112.028 1.00 0.53 H new ATOM 0 HA HIS A 36 63.212 41.195-111.039 1.00 0.58 H new ATOM 0 HB2 HIS A 36 61.911 39.595-108.820 1.00 0.98 H new ATOM 0 HB3 HIS A 36 63.552 40.160-108.580 1.00 0.98 H new ATOM 0 HD1 HIS A 36 60.309 42.047-109.904 1.00 1.89 H new ATOM 0 HD2 HIS A 36 63.684 42.370-107.413 1.00 1.60 H new ATOM 0 HE1 HIS A 36 60.219 44.434-108.791 1.00 2.32 H new ATOM 353 N LEU A 37 64.381 39.029-112.115 1.00 0.59 N ATOM 354 CA LEU A 37 65.450 38.031-112.404 1.00 0.43 C ATOM 355 C LEU A 37 66.803 38.732-112.238 1.00 0.44 C ATOM 356 O LEU A 37 67.033 39.782-112.804 1.00 0.42 O ATOM 357 CB LEU A 37 65.348 37.518-113.844 1.00 0.53 C ATOM 358 CG LEU A 37 63.902 37.172-114.190 1.00 0.49 C ATOM 359 CD1 LEU A 37 63.076 38.457-114.262 1.00 0.66 C ATOM 360 CD2 LEU A 37 63.871 36.477-115.554 1.00 0.82 C ATOM 0 H LEU A 37 64.003 39.518-112.926 1.00 0.59 H new ATOM 0 HA LEU A 37 65.344 37.186-111.724 1.00 0.43 H new ATOM 0 HB2 LEU A 37 65.721 38.276-114.533 1.00 0.53 H new ATOM 0 HB3 LEU A 37 65.978 36.637-113.967 1.00 0.53 H new ATOM 0 HG LEU A 37 63.487 36.514-113.427 1.00 0.49 H new ATOM 0 HD11 LEU A 37 62.043 38.212-114.509 1.00 0.66 H new ATOM 0 HD12 LEU A 37 63.108 38.965-113.298 1.00 0.66 H new ATOM 0 HD13 LEU A 37 63.487 39.111-115.030 1.00 0.66 H new ATOM 0 HD21 LEU A 37 62.842 36.225-115.811 1.00 0.82 H new ATOM 0 HD22 LEU A 37 64.281 37.144-116.312 1.00 0.82 H new ATOM 0 HD23 LEU A 37 64.468 35.566-115.512 1.00 0.82 H new ATOM 372 N PRO A 38 67.693 38.169-111.451 1.00 0.57 N ATOM 373 CA PRO A 38 69.022 38.793-111.220 1.00 0.66 C ATOM 374 C PRO A 38 69.645 39.272-112.520 1.00 0.58 C ATOM 375 O PRO A 38 69.343 38.759-113.568 1.00 0.52 O ATOM 376 CB PRO A 38 69.825 37.635-110.627 1.00 0.81 C ATOM 377 CG PRO A 38 68.838 36.543-110.188 1.00 0.82 C ATOM 378 CD PRO A 38 67.450 36.878-110.755 1.00 0.69 C ATOM 0 HA PRO A 38 68.980 39.676-110.582 1.00 0.66 H new ATOM 0 HB2 PRO A 38 70.525 37.241-111.364 1.00 0.81 H new ATOM 0 HB3 PRO A 38 70.416 37.978-109.777 1.00 0.81 H new ATOM 0 HG2 PRO A 38 69.168 35.568-110.548 1.00 0.82 H new ATOM 0 HG3 PRO A 38 68.798 36.485-109.100 1.00 0.82 H new ATOM 0 HD2 PRO A 38 67.094 36.108-111.440 1.00 0.69 H new ATOM 0 HD3 PRO A 38 66.702 36.975-109.968 1.00 0.69 H new ATOM 386 N PRO A 39 70.504 40.245-112.461 1.00 0.62 N ATOM 387 CA PRO A 39 71.150 40.762-113.689 1.00 0.60 C ATOM 388 C PRO A 39 71.700 39.627-114.553 1.00 0.53 C ATOM 389 O PRO A 39 71.452 39.554-115.726 1.00 0.51 O ATOM 390 CB PRO A 39 72.275 41.633-113.126 1.00 0.74 C ATOM 391 CG PRO A 39 72.076 41.771-111.608 1.00 0.81 C ATOM 392 CD PRO A 39 70.897 40.886-111.183 1.00 0.74 C ATOM 0 HA PRO A 39 70.467 41.303-114.344 1.00 0.60 H new ATOM 0 HB2 PRO A 39 73.245 41.184-113.341 1.00 0.74 H new ATOM 0 HB3 PRO A 39 72.266 42.615-113.599 1.00 0.74 H new ATOM 0 HG2 PRO A 39 72.982 41.473-111.080 1.00 0.81 H new ATOM 0 HG3 PRO A 39 71.882 42.811-111.346 1.00 0.81 H new ATOM 0 HD2 PRO A 39 71.190 40.151-110.433 1.00 0.74 H new ATOM 0 HD3 PRO A 39 70.083 41.471-110.755 1.00 0.74 H new ATOM 400 N VAL A 40 72.480 38.772-113.971 1.00 0.52 N ATOM 401 CA VAL A 40 73.100 37.650-114.733 1.00 0.47 C ATOM 402 C VAL A 40 72.031 36.890-115.521 1.00 0.41 C ATOM 403 O VAL A 40 72.105 36.741-116.735 1.00 0.37 O ATOM 404 CB VAL A 40 73.778 36.699-113.739 1.00 0.50 C ATOM 405 CG1 VAL A 40 72.760 35.700-113.186 1.00 0.50 C ATOM 406 CG2 VAL A 40 74.907 35.943-114.443 1.00 0.50 C ATOM 0 H VAL A 40 72.722 38.799-112.981 1.00 0.52 H new ATOM 0 HA VAL A 40 73.833 38.047-115.435 1.00 0.47 H new ATOM 0 HB VAL A 40 74.187 37.282-112.913 1.00 0.50 H new ATOM 0 HG11 VAL A 40 73.253 35.030-112.482 1.00 0.50 H new ATOM 0 HG12 VAL A 40 71.961 36.239-112.676 1.00 0.50 H new ATOM 0 HG13 VAL A 40 72.339 35.118-114.006 1.00 0.50 H new ATOM 0 HG21 VAL A 40 75.389 35.267-113.736 1.00 0.50 H new ATOM 0 HG22 VAL A 40 74.497 35.368-115.273 1.00 0.50 H new ATOM 0 HG23 VAL A 40 75.641 36.655-114.822 1.00 0.50 H new ATOM 416 N ARG A 41 71.025 36.429-114.848 1.00 0.42 N ATOM 417 CA ARG A 41 69.942 35.690-115.547 1.00 0.40 C ATOM 418 C ARG A 41 69.118 36.690-116.339 1.00 0.34 C ATOM 419 O ARG A 41 68.443 36.350-117.295 1.00 0.30 O ATOM 420 CB ARG A 41 69.052 34.986-114.521 1.00 0.46 C ATOM 421 CG ARG A 41 68.149 33.979-115.236 1.00 0.87 C ATOM 422 CD ARG A 41 67.076 33.478-114.269 1.00 1.00 C ATOM 423 NE ARG A 41 67.722 32.990-113.017 1.00 1.53 N ATOM 424 CZ ARG A 41 67.004 32.796-111.945 1.00 2.18 C ATOM 425 NH1 ARG A 41 65.720 33.032-111.967 1.00 2.54 N ATOM 426 NH2 ARG A 41 67.571 32.370-110.849 1.00 3.12 N ATOM 0 H ARG A 41 70.902 36.530-113.841 1.00 0.42 H new ATOM 0 HA ARG A 41 70.368 34.941-116.214 1.00 0.40 H new ATOM 0 HB2 ARG A 41 69.667 34.477-113.779 1.00 0.46 H new ATOM 0 HB3 ARG A 41 68.447 35.718-113.986 1.00 0.46 H new ATOM 0 HG2 ARG A 41 67.682 34.445-116.104 1.00 0.87 H new ATOM 0 HG3 ARG A 41 68.741 33.141-115.604 1.00 0.87 H new ATOM 0 HD2 ARG A 41 66.375 34.281-114.040 1.00 1.00 H new ATOM 0 HD3 ARG A 41 66.502 32.675-114.731 1.00 1.00 H new ATOM 0 HE ARG A 41 68.725 32.808-112.999 1.00 1.53 H new ATOM 0 HH11 ARG A 41 65.278 33.368-112.823 1.00 2.54 H new ATOM 0 HH12 ARG A 41 65.159 32.880-111.129 1.00 2.54 H new ATOM 0 HH21 ARG A 41 68.575 32.189-110.831 1.00 3.12 H new ATOM 0 HH22 ARG A 41 67.010 32.218-110.011 1.00 3.12 H new ATOM 440 N LEU A 42 69.180 37.932-115.955 1.00 0.35 N ATOM 441 CA LEU A 42 68.408 38.958-116.691 1.00 0.30 C ATOM 442 C LEU A 42 69.194 39.348-117.933 1.00 0.31 C ATOM 443 O LEU A 42 68.640 39.812-118.898 1.00 0.49 O ATOM 444 CB LEU A 42 68.151 40.178-115.808 1.00 0.32 C ATOM 445 CG LEU A 42 66.913 40.916-116.328 1.00 0.29 C ATOM 446 CD1 LEU A 42 65.644 40.218-115.849 1.00 0.43 C ATOM 447 CD2 LEU A 42 66.913 42.349-115.793 1.00 0.60 C ATOM 0 H LEU A 42 69.729 38.276-115.168 1.00 0.35 H new ATOM 0 HA LEU A 42 67.437 38.555-116.979 1.00 0.30 H new ATOM 0 HB2 LEU A 42 67.999 39.869-114.774 1.00 0.32 H new ATOM 0 HB3 LEU A 42 69.017 40.840-115.819 1.00 0.32 H new ATOM 0 HG LEU A 42 66.939 40.919-117.418 1.00 0.29 H new ATOM 0 HD11 LEU A 42 64.771 40.752-116.225 1.00 0.43 H new ATOM 0 HD12 LEU A 42 65.630 39.193-116.220 1.00 0.43 H new ATOM 0 HD13 LEU A 42 65.623 40.210-114.759 1.00 0.43 H new ATOM 0 HD21 LEU A 42 66.033 42.875-116.162 1.00 0.60 H new ATOM 0 HD22 LEU A 42 66.894 42.331-114.703 1.00 0.60 H new ATOM 0 HD23 LEU A 42 67.812 42.864-116.132 1.00 0.60 H new ATOM 459 N ALA A 43 70.480 39.116-117.941 1.00 0.30 N ATOM 460 CA ALA A 43 71.277 39.416-119.150 1.00 0.30 C ATOM 461 C ALA A 43 71.020 38.248-120.078 1.00 0.29 C ATOM 462 O ALA A 43 70.982 38.366-121.278 1.00 0.28 O ATOM 463 CB ALA A 43 72.763 39.491-118.791 1.00 0.36 C ATOM 0 H ALA A 43 71.007 38.731-117.157 1.00 0.30 H new ATOM 0 HA ALA A 43 71.007 40.370-119.603 1.00 0.30 H new ATOM 0 HB1 ALA A 43 73.343 39.712-119.687 1.00 0.36 H new ATOM 0 HB2 ALA A 43 72.920 40.278-118.054 1.00 0.36 H new ATOM 0 HB3 ALA A 43 73.086 38.536-118.376 1.00 0.36 H new ATOM 469 N GLU A 44 70.815 37.107-119.494 1.00 0.30 N ATOM 470 CA GLU A 44 70.511 35.927-120.334 1.00 0.32 C ATOM 471 C GLU A 44 69.186 36.225-121.050 1.00 0.30 C ATOM 472 O GLU A 44 69.129 36.316-122.260 1.00 0.34 O ATOM 473 CB GLU A 44 70.370 34.678-119.459 1.00 0.37 C ATOM 474 CG GLU A 44 71.714 34.360-118.802 1.00 1.15 C ATOM 475 CD GLU A 44 71.509 33.336-117.684 1.00 2.05 C ATOM 476 OE1 GLU A 44 70.380 32.910-117.499 1.00 2.92 O ATOM 477 OE2 GLU A 44 72.482 32.995-117.034 1.00 2.80 O ATOM 0 H GLU A 44 70.844 36.942-118.488 1.00 0.30 H new ATOM 0 HA GLU A 44 71.310 35.740-121.051 1.00 0.32 H new ATOM 0 HB2 GLU A 44 69.609 34.840-118.695 1.00 0.37 H new ATOM 0 HB3 GLU A 44 70.040 33.833-120.063 1.00 0.37 H new ATOM 0 HG2 GLU A 44 72.410 33.969-119.544 1.00 1.15 H new ATOM 0 HG3 GLU A 44 72.157 35.270-118.398 1.00 1.15 H new ATOM 484 N LEU A 45 68.121 36.368-120.306 1.00 0.28 N ATOM 485 CA LEU A 45 66.785 36.650-120.930 1.00 0.29 C ATOM 486 C LEU A 45 66.762 38.047-121.578 1.00 0.24 C ATOM 487 O LEU A 45 66.131 38.253-122.595 1.00 0.25 O ATOM 488 CB LEU A 45 65.701 36.577-119.851 1.00 0.34 C ATOM 489 CG LEU A 45 64.335 36.896-120.467 1.00 0.41 C ATOM 490 CD1 LEU A 45 63.597 35.594-120.784 1.00 0.83 C ATOM 491 CD2 LEU A 45 63.511 37.717-119.472 1.00 0.77 C ATOM 0 H LEU A 45 68.114 36.302-119.288 1.00 0.28 H new ATOM 0 HA LEU A 45 66.600 35.906-121.705 1.00 0.29 H new ATOM 0 HB2 LEU A 45 65.686 35.583-119.404 1.00 0.34 H new ATOM 0 HB3 LEU A 45 65.923 37.283-119.051 1.00 0.34 H new ATOM 0 HG LEU A 45 64.475 37.465-121.386 1.00 0.41 H new ATOM 0 HD11 LEU A 45 62.626 35.824-121.222 1.00 0.83 H new ATOM 0 HD12 LEU A 45 64.183 35.006-121.490 1.00 0.83 H new ATOM 0 HD13 LEU A 45 63.455 35.023-119.866 1.00 0.83 H new ATOM 0 HD21 LEU A 45 62.538 37.946-119.907 1.00 0.77 H new ATOM 0 HD22 LEU A 45 63.373 37.145-118.555 1.00 0.77 H new ATOM 0 HD23 LEU A 45 64.035 38.646-119.245 1.00 0.77 H new ATOM 503 N HIS A 46 67.459 38.998-121.018 1.00 0.21 N ATOM 504 CA HIS A 46 67.479 40.359-121.635 1.00 0.20 C ATOM 505 C HIS A 46 68.317 40.301-122.913 1.00 0.19 C ATOM 506 O HIS A 46 67.898 40.725-123.971 1.00 0.21 O ATOM 507 CB HIS A 46 68.098 41.376-120.673 1.00 0.23 C ATOM 508 CG HIS A 46 68.038 42.748-121.289 1.00 0.24 C ATOM 509 ND1 HIS A 46 67.005 43.639-121.446 1.00 0.34 N flip ATOM 510 CD2 HIS A 46 69.152 43.358-121.844 1.00 0.27 C flip ATOM 511 CE1 HIS A 46 67.468 44.784-122.087 1.00 0.35 C flip ATOM 512 NE2 HIS A 46 68.767 44.563-122.303 1.00 0.31 N flip ATOM 0 H HIS A 46 68.012 38.895-120.167 1.00 0.21 H new ATOM 0 HA HIS A 46 66.458 40.668-121.859 1.00 0.20 H new ATOM 0 HB2 HIS A 46 67.562 41.368-119.724 1.00 0.23 H new ATOM 0 HB3 HIS A 46 69.132 41.107-120.458 1.00 0.23 H new ATOM 0 HD1 HIS A 46 66.044 43.485-121.139 1.00 0.34 H new ATOM 0 HD2 HIS A 46 70.147 42.942-121.898 1.00 0.27 H new ATOM 0 HE1 HIS A 46 66.899 45.663-122.353 1.00 0.35 H new ATOM 520 N ALA A 47 69.498 39.762-122.810 1.00 0.19 N ATOM 521 CA ALA A 47 70.389 39.645-123.996 1.00 0.22 C ATOM 522 C ALA A 47 69.637 38.930-125.109 1.00 0.21 C ATOM 523 O ALA A 47 69.446 39.458-126.187 1.00 0.22 O ATOM 524 CB ALA A 47 71.626 38.824-123.617 1.00 0.27 C ATOM 0 H ALA A 47 69.889 39.393-121.943 1.00 0.19 H new ATOM 0 HA ALA A 47 70.694 40.636-124.331 1.00 0.22 H new ATOM 0 HB1 ALA A 47 72.283 38.735-124.482 1.00 0.27 H new ATOM 0 HB2 ALA A 47 72.159 39.322-122.807 1.00 0.27 H new ATOM 0 HB3 ALA A 47 71.318 37.830-123.292 1.00 0.27 H new ATOM 530 N ASP A 48 69.191 37.735-124.850 1.00 0.22 N ATOM 531 CA ASP A 48 68.432 36.992-125.888 1.00 0.25 C ATOM 532 C ASP A 48 67.300 37.889-126.372 1.00 0.22 C ATOM 533 O ASP A 48 67.096 38.073-127.554 1.00 0.25 O ATOM 534 CB ASP A 48 67.854 35.707-125.290 1.00 0.28 C ATOM 535 CG ASP A 48 68.962 34.936-124.571 1.00 0.31 C ATOM 536 OD1 ASP A 48 70.117 35.153-124.899 1.00 0.84 O ATOM 537 OD2 ASP A 48 68.637 34.139-123.705 1.00 0.94 O ATOM 0 H ASP A 48 69.319 37.242-123.966 1.00 0.22 H new ATOM 0 HA ASP A 48 69.087 36.724-126.717 1.00 0.25 H new ATOM 0 HB2 ASP A 48 67.051 35.947-124.592 1.00 0.28 H new ATOM 0 HB3 ASP A 48 67.419 35.091-126.077 1.00 0.28 H new ATOM 542 N LEU A 49 66.572 38.465-125.459 1.00 0.19 N ATOM 543 CA LEU A 49 65.467 39.367-125.868 1.00 0.19 C ATOM 544 C LEU A 49 66.032 40.396-126.850 1.00 0.18 C ATOM 545 O LEU A 49 65.386 40.772-127.808 1.00 0.19 O ATOM 546 CB LEU A 49 64.882 40.070-124.642 1.00 0.18 C ATOM 547 CG LEU A 49 63.798 39.186-124.018 1.00 0.35 C ATOM 548 CD1 LEU A 49 63.171 39.910-122.827 1.00 1.06 C ATOM 549 CD2 LEU A 49 62.715 38.888-125.058 1.00 0.89 C ATOM 0 H LEU A 49 66.695 38.350-124.453 1.00 0.19 H new ATOM 0 HA LEU A 49 64.670 38.796-126.343 1.00 0.19 H new ATOM 0 HB2 LEU A 49 65.668 40.269-123.914 1.00 0.18 H new ATOM 0 HB3 LEU A 49 64.461 41.034-124.928 1.00 0.18 H new ATOM 0 HG LEU A 49 64.246 38.251-123.682 1.00 0.35 H new ATOM 0 HD11 LEU A 49 62.400 39.280-122.383 1.00 1.06 H new ATOM 0 HD12 LEU A 49 63.940 40.120-122.083 1.00 1.06 H new ATOM 0 HD13 LEU A 49 62.726 40.846-123.164 1.00 1.06 H new ATOM 0 HD21 LEU A 49 61.945 38.259-124.611 1.00 0.89 H new ATOM 0 HD22 LEU A 49 62.268 39.823-125.396 1.00 0.89 H new ATOM 0 HD23 LEU A 49 63.159 38.370-125.908 1.00 0.89 H new ATOM 561 N LYS A 50 67.247 40.833-126.638 1.00 0.20 N ATOM 562 CA LYS A 50 67.849 41.812-127.587 1.00 0.21 C ATOM 563 C LYS A 50 68.130 41.080-128.897 1.00 0.23 C ATOM 564 O LYS A 50 67.644 41.443-129.945 1.00 0.24 O ATOM 565 CB LYS A 50 69.162 42.352-127.012 1.00 0.24 C ATOM 566 CG LYS A 50 68.899 43.009-125.653 1.00 0.36 C ATOM 567 CD LYS A 50 69.094 44.523-125.767 1.00 0.84 C ATOM 568 CE LYS A 50 70.563 44.869-125.519 1.00 1.09 C ATOM 569 NZ LYS A 50 70.818 46.277-125.934 1.00 1.84 N ATOM 0 H LYS A 50 67.842 40.557-125.857 1.00 0.20 H new ATOM 0 HA LYS A 50 67.169 42.648-127.751 1.00 0.21 H new ATOM 0 HB2 LYS A 50 69.882 41.542-126.902 1.00 0.24 H new ATOM 0 HB3 LYS A 50 69.600 43.077-127.698 1.00 0.24 H new ATOM 0 HG2 LYS A 50 67.885 42.787-125.321 1.00 0.36 H new ATOM 0 HG3 LYS A 50 69.577 42.601-124.903 1.00 0.36 H new ATOM 0 HD2 LYS A 50 68.791 44.866-126.756 1.00 0.84 H new ATOM 0 HD3 LYS A 50 68.461 45.037-125.044 1.00 0.84 H new ATOM 0 HE2 LYS A 50 70.805 44.740-124.464 1.00 1.09 H new ATOM 0 HE3 LYS A 50 71.207 44.191-126.079 1.00 1.09 H new ATOM 0 HZ1 LYS A 50 71.817 46.513-125.766 1.00 1.84 H new ATOM 0 HZ2 LYS A 50 70.602 46.385-126.946 1.00 1.84 H new ATOM 0 HZ3 LYS A 50 70.213 46.917-125.381 1.00 1.84 H new ATOM 583 N ILE A 51 68.906 40.039-128.838 1.00 0.25 N ATOM 584 CA ILE A 51 69.195 39.291-130.088 1.00 0.27 C ATOM 585 C ILE A 51 67.864 39.160-130.824 1.00 0.26 C ATOM 586 O ILE A 51 67.687 39.654-131.932 1.00 0.25 O ATOM 587 CB ILE A 51 69.745 37.903-129.755 1.00 0.33 C ATOM 588 CG1 ILE A 51 71.246 38.003-129.487 1.00 0.36 C ATOM 589 CG2 ILE A 51 69.499 36.960-130.933 1.00 0.42 C ATOM 590 CD1 ILE A 51 71.491 38.980-128.338 1.00 0.30 C ATOM 0 H ILE A 51 69.347 39.677-127.992 1.00 0.25 H new ATOM 0 HA ILE A 51 69.939 39.806-130.696 1.00 0.27 H new ATOM 0 HB ILE A 51 69.242 37.515-128.869 1.00 0.33 H new ATOM 0 HG12 ILE A 51 71.648 37.021-129.237 1.00 0.36 H new ATOM 0 HG13 ILE A 51 71.765 38.341-130.384 1.00 0.36 H new ATOM 0 HG21 ILE A 51 69.891 35.971-130.695 1.00 0.42 H new ATOM 0 HG22 ILE A 51 68.428 36.889-131.125 1.00 0.42 H new ATOM 0 HG23 ILE A 51 70.002 37.346-131.819 1.00 0.42 H new ATOM 0 HD11 ILE A 51 72.561 39.053-128.145 1.00 0.30 H new ATOM 0 HD12 ILE A 51 71.103 39.962-128.607 1.00 0.30 H new ATOM 0 HD13 ILE A 51 70.984 38.622-127.442 1.00 0.30 H new ATOM 602 N GLN A 52 66.906 38.535-130.200 1.00 0.26 N ATOM 603 CA GLN A 52 65.580 38.413-130.837 1.00 0.27 C ATOM 604 C GLN A 52 65.094 39.816-131.190 1.00 0.24 C ATOM 605 O GLN A 52 64.325 39.993-132.098 1.00 0.26 O ATOM 606 CB GLN A 52 64.604 37.755-129.863 1.00 0.32 C ATOM 607 CG GLN A 52 63.478 37.087-130.649 1.00 0.45 C ATOM 608 CD GLN A 52 63.973 35.749-131.199 1.00 0.62 C ATOM 609 OE1 GLN A 52 64.245 34.834-130.448 1.00 1.00 O ATOM 610 NE2 GLN A 52 64.107 35.596-132.488 1.00 0.48 N ATOM 0 H GLN A 52 66.990 38.106-129.278 1.00 0.26 H new ATOM 0 HA GLN A 52 65.643 37.800-131.736 1.00 0.27 H new ATOM 0 HB2 GLN A 52 65.124 37.017-129.252 1.00 0.32 H new ATOM 0 HB3 GLN A 52 64.194 38.501-129.182 1.00 0.32 H new ATOM 0 HG2 GLN A 52 62.612 36.931-130.006 1.00 0.45 H new ATOM 0 HG3 GLN A 52 63.156 37.733-131.466 1.00 0.45 H new ATOM 0 HE21 GLN A 52 63.879 36.364-133.119 1.00 0.48 H new ATOM 0 HE22 GLN A 52 64.440 34.708-132.864 1.00 0.48 H new ATOM 619 N GLU A 53 65.532 40.819-130.465 1.00 0.23 N ATOM 620 CA GLU A 53 65.083 42.206-130.783 1.00 0.23 C ATOM 621 C GLU A 53 65.702 42.642-132.108 1.00 0.20 C ATOM 622 O GLU A 53 65.074 43.300-132.905 1.00 0.21 O ATOM 623 CB GLU A 53 65.529 43.184-129.699 1.00 0.25 C ATOM 624 CG GLU A 53 65.182 44.610-130.139 1.00 0.28 C ATOM 625 CD GLU A 53 66.399 45.517-129.939 1.00 0.33 C ATOM 626 OE1 GLU A 53 67.277 45.139-129.181 1.00 1.09 O ATOM 627 OE2 GLU A 53 66.433 46.575-130.546 1.00 1.04 O ATOM 0 H GLU A 53 66.174 40.736-129.676 1.00 0.23 H new ATOM 0 HA GLU A 53 63.995 42.209-130.843 1.00 0.23 H new ATOM 0 HB2 GLU A 53 65.035 42.951-128.756 1.00 0.25 H new ATOM 0 HB3 GLU A 53 66.602 43.093-129.529 1.00 0.25 H new ATOM 0 HG2 GLU A 53 64.879 44.615-131.186 1.00 0.28 H new ATOM 0 HG3 GLU A 53 64.337 44.985-129.561 1.00 0.28 H new ATOM 634 N ARG A 54 66.930 42.289-132.354 1.00 0.22 N ATOM 635 CA ARG A 54 67.564 42.694-133.636 1.00 0.22 C ATOM 636 C ARG A 54 66.861 41.970-134.773 1.00 0.20 C ATOM 637 O ARG A 54 66.699 42.486-135.863 1.00 0.21 O ATOM 638 CB ARG A 54 69.033 42.284-133.619 1.00 0.24 C ATOM 639 CG ARG A 54 69.821 43.249-132.736 1.00 0.27 C ATOM 640 CD ARG A 54 71.233 43.421-133.297 1.00 0.85 C ATOM 641 NE ARG A 54 72.113 44.019-132.253 1.00 1.55 N ATOM 642 CZ ARG A 54 73.409 43.985-132.395 1.00 2.09 C ATOM 643 NH1 ARG A 54 73.937 43.430-133.452 1.00 2.40 N ATOM 644 NH2 ARG A 54 74.178 44.507-131.479 1.00 3.03 N ATOM 0 H ARG A 54 67.519 41.741-131.727 1.00 0.22 H new ATOM 0 HA ARG A 54 67.485 43.773-133.769 1.00 0.22 H new ATOM 0 HB2 ARG A 54 69.133 41.266-133.243 1.00 0.24 H new ATOM 0 HB3 ARG A 54 69.435 42.290-134.632 1.00 0.24 H new ATOM 0 HG2 ARG A 54 69.316 44.214-132.693 1.00 0.27 H new ATOM 0 HG3 ARG A 54 69.868 42.868-131.716 1.00 0.27 H new ATOM 0 HD2 ARG A 54 71.630 42.457-133.614 1.00 0.85 H new ATOM 0 HD3 ARG A 54 71.210 44.061-134.179 1.00 0.85 H new ATOM 0 HE ARG A 54 71.702 44.455-131.428 1.00 1.55 H new ATOM 0 HH11 ARG A 54 73.336 43.022-134.168 1.00 2.40 H new ATOM 0 HH12 ARG A 54 74.951 43.404-133.562 1.00 2.40 H new ATOM 0 HH21 ARG A 54 73.765 44.941-130.653 1.00 3.03 H new ATOM 0 HH22 ARG A 54 75.192 44.481-131.589 1.00 3.03 H new ATOM 658 N ASP A 55 66.413 40.781-134.506 1.00 0.20 N ATOM 659 CA ASP A 55 65.690 40.006-135.555 1.00 0.21 C ATOM 660 C ASP A 55 64.216 40.432-135.582 1.00 0.21 C ATOM 661 O ASP A 55 63.594 40.514-136.627 1.00 0.20 O ATOM 662 CB ASP A 55 65.785 38.511-135.243 1.00 0.25 C ATOM 663 CG ASP A 55 67.239 38.055-135.366 1.00 0.29 C ATOM 664 OD1 ASP A 55 68.007 38.756-136.004 1.00 0.84 O ATOM 665 OD2 ASP A 55 67.561 37.011-134.821 1.00 0.94 O ATOM 0 H ASP A 55 66.514 40.308-133.608 1.00 0.20 H new ATOM 0 HA ASP A 55 66.142 40.202-136.527 1.00 0.21 H new ATOM 0 HB2 ASP A 55 65.415 38.315-134.237 1.00 0.25 H new ATOM 0 HB3 ASP A 55 65.156 37.945-135.930 1.00 0.25 H new ATOM 670 N GLU A 56 63.662 40.738-134.443 1.00 0.27 N ATOM 671 CA GLU A 56 62.244 41.180-134.389 1.00 0.32 C ATOM 672 C GLU A 56 62.162 42.572-134.985 1.00 0.30 C ATOM 673 O GLU A 56 61.375 42.839-135.867 1.00 0.31 O ATOM 674 CB GLU A 56 61.764 41.210-132.937 1.00 0.39 C ATOM 675 CG GLU A 56 61.241 39.828-132.542 1.00 0.44 C ATOM 676 CD GLU A 56 59.927 39.550-133.274 1.00 0.89 C ATOM 677 OE1 GLU A 56 59.581 40.332-134.145 1.00 1.39 O ATOM 678 OE2 GLU A 56 59.289 38.561-132.952 1.00 1.72 O ATOM 0 H GLU A 56 64.136 40.700-133.541 1.00 0.27 H new ATOM 0 HA GLU A 56 61.613 40.490-134.949 1.00 0.32 H new ATOM 0 HB2 GLU A 56 62.582 41.502-132.279 1.00 0.39 H new ATOM 0 HB3 GLU A 56 60.978 41.955-132.818 1.00 0.39 H new ATOM 0 HG2 GLU A 56 61.977 39.064-132.792 1.00 0.44 H new ATOM 0 HG3 GLU A 56 61.086 39.781-131.464 1.00 0.44 H new ATOM 685 N LEU A 57 63.002 43.457-134.541 1.00 0.30 N ATOM 686 CA LEU A 57 62.992 44.811-135.127 1.00 0.32 C ATOM 687 C LEU A 57 63.310 44.644-136.608 1.00 0.28 C ATOM 688 O LEU A 57 62.613 45.142-137.465 1.00 0.29 O ATOM 689 CB LEU A 57 64.052 45.685-134.453 1.00 0.36 C ATOM 690 CG LEU A 57 63.490 46.261-133.150 1.00 0.50 C ATOM 691 CD1 LEU A 57 64.634 46.816-132.301 1.00 1.08 C ATOM 692 CD2 LEU A 57 62.504 47.388-133.471 1.00 1.22 C ATOM 0 H LEU A 57 63.689 43.300-133.803 1.00 0.30 H new ATOM 0 HA LEU A 57 62.026 45.296-134.984 1.00 0.32 H new ATOM 0 HB2 LEU A 57 64.946 45.096-134.246 1.00 0.36 H new ATOM 0 HB3 LEU A 57 64.350 46.493-135.121 1.00 0.36 H new ATOM 0 HG LEU A 57 62.976 45.473-132.599 1.00 0.50 H new ATOM 0 HD11 LEU A 57 64.233 47.226-131.374 1.00 1.08 H new ATOM 0 HD12 LEU A 57 65.337 46.016-132.070 1.00 1.08 H new ATOM 0 HD13 LEU A 57 65.148 47.603-132.853 1.00 1.08 H new ATOM 0 HD21 LEU A 57 62.105 47.797-132.543 1.00 1.22 H new ATOM 0 HD22 LEU A 57 63.018 48.175-134.023 1.00 1.22 H new ATOM 0 HD23 LEU A 57 61.687 46.995-134.076 1.00 1.22 H new ATOM 704 N ALA A 58 64.340 43.896-136.920 1.00 0.25 N ATOM 705 CA ALA A 58 64.656 43.658-138.351 1.00 0.24 C ATOM 706 C ALA A 58 63.386 43.114-138.998 1.00 0.21 C ATOM 707 O ALA A 58 63.133 43.293-140.176 1.00 0.21 O ATOM 708 CB ALA A 58 65.786 42.632-138.472 1.00 0.24 C ATOM 0 H ALA A 58 64.965 43.447-136.251 1.00 0.25 H new ATOM 0 HA ALA A 58 64.982 44.576-138.839 1.00 0.24 H new ATOM 0 HB1 ALA A 58 66.012 42.462-139.525 1.00 0.24 H new ATOM 0 HB2 ALA A 58 66.675 43.008-137.966 1.00 0.24 H new ATOM 0 HB3 ALA A 58 65.476 41.694-138.012 1.00 0.24 H new ATOM 714 N TRP A 59 62.552 42.492-138.207 1.00 0.19 N ATOM 715 CA TRP A 59 61.275 41.990-138.768 1.00 0.18 C ATOM 716 C TRP A 59 60.349 43.182-138.983 1.00 0.20 C ATOM 717 O TRP A 59 59.932 43.459-140.093 1.00 0.30 O ATOM 718 CB TRP A 59 60.593 40.975-137.853 1.00 0.19 C ATOM 719 CG TRP A 59 59.375 40.492-138.567 1.00 0.23 C ATOM 720 CD1 TRP A 59 59.362 39.533-139.524 1.00 0.26 C ATOM 721 CD2 TRP A 59 58.001 40.946-138.423 1.00 0.27 C ATOM 722 NE1 TRP A 59 58.072 39.384-139.990 1.00 0.30 N ATOM 723 CE2 TRP A 59 57.192 40.227-139.334 1.00 0.31 C ATOM 724 CE3 TRP A 59 57.385 41.903-137.599 1.00 0.30 C ATOM 725 CZ2 TRP A 59 55.818 40.451-139.424 1.00 0.37 C ATOM 726 CZ3 TRP A 59 56.003 42.130-137.685 1.00 0.36 C ATOM 727 CH2 TRP A 59 55.221 41.406-138.596 1.00 0.39 C ATOM 0 H TRP A 59 62.700 42.314-137.214 1.00 0.19 H new ATOM 0 HA TRP A 59 61.491 41.479-139.706 1.00 0.18 H new ATOM 0 HB2 TRP A 59 61.264 40.145-137.630 1.00 0.19 H new ATOM 0 HB3 TRP A 59 60.325 41.433-136.901 1.00 0.19 H new ATOM 0 HD1 TRP A 59 60.222 38.976-139.866 1.00 0.26 H new ATOM 0 HE1 TRP A 59 57.800 38.733-140.727 1.00 0.30 H new ATOM 0 HE3 TRP A 59 57.979 42.467-136.895 1.00 0.30 H new ATOM 0 HZ2 TRP A 59 55.220 39.891-140.128 1.00 0.37 H new ATOM 0 HZ3 TRP A 59 55.539 42.867-137.046 1.00 0.36 H new ATOM 0 HH2 TRP A 59 54.158 41.586-138.658 1.00 0.39 H new ATOM 738 N LYS A 60 60.011 43.897-137.940 1.00 0.27 N ATOM 739 CA LYS A 60 59.109 45.059-138.139 1.00 0.30 C ATOM 740 C LYS A 60 59.581 45.787-139.396 1.00 0.29 C ATOM 741 O LYS A 60 58.793 46.296-140.171 1.00 0.31 O ATOM 742 CB LYS A 60 59.159 45.995-136.923 1.00 0.38 C ATOM 743 CG LYS A 60 60.338 46.962-137.051 1.00 0.42 C ATOM 744 CD LYS A 60 59.867 48.251-137.729 1.00 1.08 C ATOM 745 CE LYS A 60 59.394 49.244-136.666 1.00 1.53 C ATOM 746 NZ LYS A 60 58.397 48.584-135.777 1.00 2.27 N ATOM 0 H LYS A 60 60.315 43.728-136.981 1.00 0.27 H new ATOM 0 HA LYS A 60 58.076 44.729-138.251 1.00 0.30 H new ATOM 0 HB2 LYS A 60 58.227 46.554-136.846 1.00 0.38 H new ATOM 0 HB3 LYS A 60 59.256 45.410-136.008 1.00 0.38 H new ATOM 0 HG2 LYS A 60 60.748 47.185-136.066 1.00 0.42 H new ATOM 0 HG3 LYS A 60 61.137 46.503-137.633 1.00 0.42 H new ATOM 0 HD2 LYS A 60 60.679 48.685-138.312 1.00 1.08 H new ATOM 0 HD3 LYS A 60 59.057 48.033-138.425 1.00 1.08 H new ATOM 0 HE2 LYS A 60 60.242 49.597-136.080 1.00 1.53 H new ATOM 0 HE3 LYS A 60 58.950 50.118-137.142 1.00 1.53 H new ATOM 0 HZ1 LYS A 60 58.202 49.196-134.959 1.00 2.27 H new ATOM 0 HZ2 LYS A 60 57.516 48.421-136.305 1.00 2.27 H new ATOM 0 HZ3 LYS A 60 58.776 47.674-135.446 1.00 2.27 H new ATOM 760 N LYS A 61 60.869 45.805-139.629 1.00 0.28 N ATOM 761 CA LYS A 61 61.388 46.462-140.854 1.00 0.30 C ATOM 762 C LYS A 61 61.133 45.536-142.041 1.00 0.27 C ATOM 763 O LYS A 61 60.922 45.986-143.150 1.00 0.35 O ATOM 764 CB LYS A 61 62.888 46.725-140.723 1.00 0.35 C ATOM 765 CG LYS A 61 63.157 47.571-139.477 1.00 0.40 C ATOM 766 CD LYS A 61 64.607 48.059-139.494 1.00 0.77 C ATOM 767 CE LYS A 61 64.716 49.311-140.365 1.00 1.42 C ATOM 768 NZ LYS A 61 66.108 49.838-140.306 1.00 2.43 N ATOM 0 H LYS A 61 61.578 45.393-139.022 1.00 0.28 H new ATOM 0 HA LYS A 61 60.882 47.417-141.000 1.00 0.30 H new ATOM 0 HB2 LYS A 61 63.428 45.781-140.656 1.00 0.35 H new ATOM 0 HB3 LYS A 61 63.255 47.240-141.610 1.00 0.35 H new ATOM 0 HG2 LYS A 61 62.476 48.422-139.448 1.00 0.40 H new ATOM 0 HG3 LYS A 61 62.971 46.983-138.578 1.00 0.40 H new ATOM 0 HD2 LYS A 61 64.939 48.279-138.479 1.00 0.77 H new ATOM 0 HD3 LYS A 61 65.260 47.277-139.880 1.00 0.77 H new ATOM 0 HE2 LYS A 61 64.449 49.075-141.395 1.00 1.42 H new ATOM 0 HE3 LYS A 61 64.014 50.070-140.019 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 66.182 50.690-140.898 1.00 2.43 H new ATOM 0 HZ2 LYS A 61 66.347 50.078-139.323 1.00 2.43 H new ATOM 0 HZ3 LYS A 61 66.768 49.114-140.656 1.00 2.43 H new ATOM 782 N LEU A 62 61.108 44.242-141.821 1.00 0.24 N ATOM 783 CA LEU A 62 60.815 43.314-142.948 1.00 0.24 C ATOM 784 C LEU A 62 59.389 43.576-143.412 1.00 0.24 C ATOM 785 O LEU A 62 59.146 43.965-144.537 1.00 0.26 O ATOM 786 CB LEU A 62 60.897 41.860-142.471 1.00 0.24 C ATOM 787 CG LEU A 62 62.331 41.333-142.585 1.00 0.28 C ATOM 788 CD1 LEU A 62 62.590 40.313-141.474 1.00 0.24 C ATOM 789 CD2 LEU A 62 62.514 40.642-143.938 1.00 0.41 C ATOM 0 H LEU A 62 61.276 43.797-140.919 1.00 0.24 H new ATOM 0 HA LEU A 62 61.536 43.475-143.750 1.00 0.24 H new ATOM 0 HB2 LEU A 62 60.560 41.792-141.437 1.00 0.24 H new ATOM 0 HB3 LEU A 62 60.227 41.239-143.066 1.00 0.24 H new ATOM 0 HG LEU A 62 63.028 42.166-142.495 1.00 0.28 H new ATOM 0 HD11 LEU A 62 63.610 39.938-141.555 1.00 0.24 H new ATOM 0 HD12 LEU A 62 62.455 40.790-140.503 1.00 0.24 H new ATOM 0 HD13 LEU A 62 61.890 39.483-141.571 1.00 0.24 H new ATOM 0 HD21 LEU A 62 63.534 40.267-144.020 1.00 0.41 H new ATOM 0 HD22 LEU A 62 61.814 39.811-144.020 1.00 0.41 H new ATOM 0 HD23 LEU A 62 62.325 41.356-144.740 1.00 0.41 H new ATOM 801 N LYS A 63 58.441 43.352-142.544 1.00 0.24 N ATOM 802 CA LYS A 63 57.026 43.574-142.929 1.00 0.26 C ATOM 803 C LYS A 63 56.860 45.021-143.405 1.00 0.29 C ATOM 804 O LYS A 63 56.081 45.295-144.297 1.00 0.30 O ATOM 805 CB LYS A 63 56.100 43.296-141.737 1.00 0.34 C ATOM 806 CG LYS A 63 55.996 44.535-140.850 1.00 0.46 C ATOM 807 CD LYS A 63 55.014 44.268-139.708 1.00 0.41 C ATOM 808 CE LYS A 63 53.985 45.398-139.638 1.00 0.58 C ATOM 809 NZ LYS A 63 54.609 46.600-139.015 1.00 1.20 N ATOM 0 H LYS A 63 58.588 43.026-141.589 1.00 0.24 H new ATOM 0 HA LYS A 63 56.757 42.892-143.736 1.00 0.26 H new ATOM 0 HB2 LYS A 63 55.110 43.012-142.094 1.00 0.34 H new ATOM 0 HB3 LYS A 63 56.483 42.456-141.158 1.00 0.34 H new ATOM 0 HG2 LYS A 63 56.976 44.790-140.448 1.00 0.46 H new ATOM 0 HG3 LYS A 63 55.661 45.389-141.439 1.00 0.46 H new ATOM 0 HD2 LYS A 63 54.511 43.314-139.864 1.00 0.41 H new ATOM 0 HD3 LYS A 63 55.552 44.194-138.763 1.00 0.41 H new ATOM 0 HE2 LYS A 63 53.625 45.639-140.638 1.00 0.58 H new ATOM 0 HE3 LYS A 63 53.120 45.081-139.056 1.00 0.58 H new ATOM 0 HZ1 LYS A 63 54.250 46.714-138.046 1.00 1.20 H new ATOM 0 HZ2 LYS A 63 55.642 46.481-138.990 1.00 1.20 H new ATOM 0 HZ3 LYS A 63 54.371 47.444-139.574 1.00 1.20 H new ATOM 823 N LEU A 64 57.598 45.956-142.845 1.00 0.33 N ATOM 824 CA LEU A 64 57.482 47.373-143.304 1.00 0.43 C ATOM 825 C LEU A 64 57.963 47.498-144.748 1.00 0.52 C ATOM 826 O LEU A 64 57.290 48.054-145.592 1.00 0.75 O ATOM 827 CB LEU A 64 58.355 48.270-142.412 1.00 0.38 C ATOM 828 CG LEU A 64 57.562 48.777-141.202 1.00 0.50 C ATOM 829 CD1 LEU A 64 56.823 50.061-141.583 1.00 1.10 C ATOM 830 CD2 LEU A 64 56.548 47.727-140.759 1.00 1.23 C ATOM 0 H LEU A 64 58.270 45.796-142.095 1.00 0.33 H new ATOM 0 HA LEU A 64 56.438 47.681-143.241 1.00 0.43 H new ATOM 0 HB2 LEU A 64 59.228 47.712-142.072 1.00 0.38 H new ATOM 0 HB3 LEU A 64 58.724 49.117-142.991 1.00 0.38 H new ATOM 0 HG LEU A 64 58.253 48.974-140.382 1.00 0.50 H new ATOM 0 HD11 LEU A 64 56.258 50.424-140.724 1.00 1.10 H new ATOM 0 HD12 LEU A 64 57.544 50.819-141.889 1.00 1.10 H new ATOM 0 HD13 LEU A 64 56.139 49.857-142.407 1.00 1.10 H new ATOM 0 HD21 LEU A 64 55.991 48.099-139.899 1.00 1.23 H new ATOM 0 HD22 LEU A 64 55.857 47.520-141.577 1.00 1.23 H new ATOM 0 HD23 LEU A 64 57.070 46.810-140.484 1.00 1.23 H new ATOM 842 N ASP A 65 59.128 46.994-145.037 1.00 0.45 N ATOM 843 CA ASP A 65 59.660 47.094-146.424 1.00 0.60 C ATOM 844 C ASP A 65 58.976 46.061-147.320 1.00 0.96 C ATOM 845 O ASP A 65 59.157 46.056-148.521 1.00 0.98 O ATOM 846 CB ASP A 65 61.168 46.835-146.410 1.00 0.53 C ATOM 847 CG ASP A 65 61.880 48.002-145.724 1.00 0.53 C ATOM 848 OD1 ASP A 65 61.246 49.026-145.530 1.00 1.31 O ATOM 849 OD2 ASP A 65 63.048 47.852-145.404 1.00 1.14 O ATOM 0 H ASP A 65 59.736 46.516-144.372 1.00 0.45 H new ATOM 0 HA ASP A 65 59.462 48.093-146.813 1.00 0.60 H new ATOM 0 HB2 ASP A 65 61.383 45.905-145.885 1.00 0.53 H new ATOM 0 HB3 ASP A 65 61.537 46.718-147.429 1.00 0.53 H new ATOM 854 N GLY A 66 58.191 45.185-146.753 1.00 1.30 N ATOM 855 CA GLY A 66 57.503 44.161-147.586 1.00 1.72 C ATOM 856 C GLY A 66 58.496 43.067-147.979 1.00 0.91 C ATOM 857 O GLY A 66 58.717 42.806-149.145 1.00 1.14 O ATOM 0 H GLY A 66 57.998 45.135-145.753 1.00 1.30 H new ATOM 0 HA2 GLY A 66 56.670 43.728-147.033 1.00 1.72 H new ATOM 0 HA3 GLY A 66 57.086 44.625-148.480 1.00 1.72 H new ATOM 861 N LEU A 67 59.093 42.418-147.016 1.00 0.37 N ATOM 862 CA LEU A 67 60.062 41.337-147.344 1.00 1.03 C ATOM 863 C LEU A 67 59.431 39.979-147.035 1.00 0.91 C ATOM 864 O LEU A 67 59.549 39.046-147.804 1.00 1.09 O ATOM 865 CB LEU A 67 61.344 41.529-146.535 1.00 1.69 C ATOM 866 CG LEU A 67 62.285 42.460-147.304 1.00 1.79 C ATOM 867 CD1 LEU A 67 63.303 43.081-146.346 1.00 2.52 C ATOM 868 CD2 LEU A 67 63.022 41.656-148.378 1.00 2.68 C ATOM 0 H LEU A 67 58.951 42.590-146.021 1.00 0.37 H new ATOM 0 HA LEU A 67 60.312 41.377-148.404 1.00 1.03 H new ATOM 0 HB2 LEU A 67 61.112 41.952-145.557 1.00 1.69 H new ATOM 0 HB3 LEU A 67 61.826 40.567-146.360 1.00 1.69 H new ATOM 0 HG LEU A 67 61.703 43.255-147.771 1.00 1.79 H new ATOM 0 HD11 LEU A 67 63.969 43.742-146.901 1.00 2.52 H new ATOM 0 HD12 LEU A 67 62.780 43.653-145.580 1.00 2.52 H new ATOM 0 HD13 LEU A 67 63.887 42.291-145.874 1.00 2.52 H new ATOM 0 HD21 LEU A 67 63.694 42.315-148.929 1.00 2.68 H new ATOM 0 HD22 LEU A 67 63.600 40.862-147.905 1.00 2.68 H new ATOM 0 HD23 LEU A 67 62.298 41.219-149.066 1.00 2.68 H new ATOM 880 N ASP A 68 58.690 39.882-145.967 1.00 0.69 N ATOM 881 CA ASP A 68 57.961 38.620-145.652 1.00 0.59 C ATOM 882 C ASP A 68 56.485 38.946-145.844 1.00 0.59 C ATOM 883 O ASP A 68 55.926 39.675-145.049 1.00 0.59 O ATOM 884 CB ASP A 68 58.213 38.223-144.192 1.00 0.53 C ATOM 885 CG ASP A 68 57.957 36.726-144.025 1.00 0.64 C ATOM 886 OD1 ASP A 68 57.615 36.089-145.008 1.00 0.97 O ATOM 887 OD2 ASP A 68 58.105 36.240-142.918 1.00 1.19 O ATOM 0 H ASP A 68 58.556 40.633-145.290 1.00 0.69 H new ATOM 0 HA ASP A 68 58.286 37.794-146.285 1.00 0.59 H new ATOM 0 HB2 ASP A 68 59.238 38.462-143.910 1.00 0.53 H new ATOM 0 HB3 ASP A 68 57.559 38.792-143.530 1.00 0.53 H new ATOM 892 N GLU A 69 55.822 38.490-146.873 1.00 0.63 N ATOM 893 CA GLU A 69 54.402 38.893-147.024 1.00 0.69 C ATOM 894 C GLU A 69 53.471 37.976-146.235 1.00 0.71 C ATOM 895 O GLU A 69 52.277 38.200-146.204 1.00 0.77 O ATOM 896 CB GLU A 69 54.021 38.839-148.504 1.00 0.73 C ATOM 897 CG GLU A 69 54.291 37.435-149.048 1.00 0.75 C ATOM 898 CD GLU A 69 54.821 37.534-150.481 1.00 1.36 C ATOM 899 OE1 GLU A 69 54.010 37.549-151.391 1.00 2.06 O ATOM 900 OE2 GLU A 69 56.029 37.593-150.641 1.00 1.82 O ATOM 0 H GLU A 69 56.193 37.873-147.595 1.00 0.63 H new ATOM 0 HA GLU A 69 54.293 39.905-146.635 1.00 0.69 H new ATOM 0 HB2 GLU A 69 52.968 39.093-148.629 1.00 0.73 H new ATOM 0 HB3 GLU A 69 54.596 39.575-149.066 1.00 0.73 H new ATOM 0 HG2 GLU A 69 55.016 36.922-148.416 1.00 0.75 H new ATOM 0 HG3 GLU A 69 53.376 36.844-149.028 1.00 0.75 H new ATOM 907 N ASP A 70 53.964 36.958-145.578 1.00 0.72 N ATOM 908 CA ASP A 70 53.042 36.087-144.797 1.00 0.78 C ATOM 909 C ASP A 70 53.468 36.159-143.332 1.00 0.69 C ATOM 910 O ASP A 70 52.928 35.494-142.471 1.00 0.84 O ATOM 911 CB ASP A 70 53.146 34.644-145.297 1.00 0.83 C ATOM 912 CG ASP A 70 52.950 34.614-146.814 1.00 0.95 C ATOM 913 OD1 ASP A 70 52.023 35.252-147.285 1.00 1.43 O ATOM 914 OD2 ASP A 70 53.730 33.953-147.479 1.00 1.34 O ATOM 0 H ASP A 70 54.949 36.696-145.549 1.00 0.72 H new ATOM 0 HA ASP A 70 52.010 36.419-144.913 1.00 0.78 H new ATOM 0 HB2 ASP A 70 54.119 34.227-145.037 1.00 0.83 H new ATOM 0 HB3 ASP A 70 52.393 34.024-144.810 1.00 0.83 H new ATOM 919 N GLY A 71 54.433 36.991-143.058 1.00 0.50 N ATOM 920 CA GLY A 71 54.919 37.167-141.663 1.00 0.43 C ATOM 921 C GLY A 71 55.580 35.887-141.137 1.00 0.34 C ATOM 922 O GLY A 71 55.630 35.669-139.944 1.00 0.31 O ATOM 0 H GLY A 71 54.912 37.564-143.752 1.00 0.50 H new ATOM 0 HA2 GLY A 71 55.633 37.989-141.626 1.00 0.43 H new ATOM 0 HA3 GLY A 71 54.085 37.440-141.017 1.00 0.43 H new ATOM 926 N GLU A 72 56.105 35.040-141.987 1.00 0.36 N ATOM 927 CA GLU A 72 56.759 33.812-141.446 1.00 0.34 C ATOM 928 C GLU A 72 57.990 34.257-140.654 1.00 0.30 C ATOM 929 O GLU A 72 58.170 33.901-139.509 1.00 0.30 O ATOM 930 CB GLU A 72 57.184 32.901-142.600 1.00 0.40 C ATOM 931 CG GLU A 72 56.170 31.766-142.753 1.00 1.23 C ATOM 932 CD GLU A 72 56.575 30.595-141.857 1.00 1.97 C ATOM 933 OE1 GLU A 72 57.597 30.704-141.199 1.00 2.68 O ATOM 934 OE2 GLU A 72 55.857 29.609-141.844 1.00 2.64 O ATOM 0 H GLU A 72 56.110 35.140-143.002 1.00 0.36 H new ATOM 0 HA GLU A 72 56.071 33.259-140.807 1.00 0.34 H new ATOM 0 HB2 GLU A 72 57.247 33.474-143.525 1.00 0.40 H new ATOM 0 HB3 GLU A 72 58.177 32.493-142.409 1.00 0.40 H new ATOM 0 HG2 GLU A 72 55.173 32.116-142.484 1.00 1.23 H new ATOM 0 HG3 GLU A 72 56.124 31.443-143.793 1.00 1.23 H new ATOM 941 N LYS A 73 58.831 35.045-141.261 1.00 0.31 N ATOM 942 CA LYS A 73 60.037 35.522-140.533 1.00 0.33 C ATOM 943 C LYS A 73 59.568 35.982-139.154 1.00 0.29 C ATOM 944 O LYS A 73 60.277 35.895-138.162 1.00 0.29 O ATOM 945 CB LYS A 73 60.672 36.693-141.289 1.00 0.38 C ATOM 946 CG LYS A 73 61.082 36.242-142.693 1.00 0.55 C ATOM 947 CD LYS A 73 61.909 37.341-143.363 1.00 1.07 C ATOM 948 CE LYS A 73 63.396 37.081-143.120 1.00 1.38 C ATOM 949 NZ LYS A 73 63.703 37.272-141.674 1.00 2.36 N ATOM 0 H LYS A 73 58.737 35.377-142.221 1.00 0.31 H new ATOM 0 HA LYS A 73 60.783 34.732-140.448 1.00 0.33 H new ATOM 0 HB2 LYS A 73 59.966 37.521-141.355 1.00 0.38 H new ATOM 0 HB3 LYS A 73 61.543 37.059-140.746 1.00 0.38 H new ATOM 0 HG2 LYS A 73 61.661 35.321-142.635 1.00 0.55 H new ATOM 0 HG3 LYS A 73 60.196 36.025-143.290 1.00 0.55 H new ATOM 0 HD2 LYS A 73 61.703 37.364-144.433 1.00 1.07 H new ATOM 0 HD3 LYS A 73 61.629 38.316-142.963 1.00 1.07 H new ATOM 0 HE2 LYS A 73 63.654 36.067-143.427 1.00 1.38 H new ATOM 0 HE3 LYS A 73 63.998 37.760-143.724 1.00 1.38 H new ATOM 0 HZ1 LYS A 73 64.674 37.631-141.570 1.00 2.36 H new ATOM 0 HZ2 LYS A 73 63.035 37.956-141.265 1.00 2.36 H new ATOM 0 HZ3 LYS A 73 63.615 36.363-141.177 1.00 2.36 H new ATOM 963 N GLU A 74 58.326 36.377-139.080 1.00 0.28 N ATOM 964 CA GLU A 74 57.737 36.760-137.774 1.00 0.28 C ATOM 965 C GLU A 74 57.407 35.450-137.078 1.00 0.26 C ATOM 966 O GLU A 74 57.547 35.296-135.896 1.00 0.27 O ATOM 967 CB GLU A 74 56.451 37.553-137.997 1.00 0.31 C ATOM 968 CG GLU A 74 56.197 38.448-136.787 1.00 0.37 C ATOM 969 CD GLU A 74 54.694 38.539-136.515 1.00 0.47 C ATOM 970 OE1 GLU A 74 53.939 37.925-137.251 1.00 1.14 O ATOM 971 OE2 GLU A 74 54.324 39.223-135.575 1.00 1.11 O ATOM 0 H GLU A 74 57.693 36.450-139.876 1.00 0.28 H new ATOM 0 HA GLU A 74 58.418 37.378-137.189 1.00 0.28 H new ATOM 0 HB2 GLU A 74 56.534 38.157-138.900 1.00 0.31 H new ATOM 0 HB3 GLU A 74 55.612 36.874-138.144 1.00 0.31 H new ATOM 0 HG2 GLU A 74 56.710 38.047-135.913 1.00 0.37 H new ATOM 0 HG3 GLU A 74 56.604 39.443-136.967 1.00 0.37 H new ATOM 978 N ALA A 75 56.979 34.507-137.856 1.00 0.25 N ATOM 979 CA ALA A 75 56.655 33.175-137.290 1.00 0.27 C ATOM 980 C ALA A 75 57.924 32.671-136.629 1.00 0.26 C ATOM 981 O ALA A 75 57.986 32.528-135.430 1.00 0.27 O ATOM 982 CB ALA A 75 56.207 32.216-138.393 1.00 0.30 C ATOM 0 H ALA A 75 56.838 34.599-138.862 1.00 0.25 H new ATOM 0 HA ALA A 75 55.837 33.241-136.573 1.00 0.27 H new ATOM 0 HB1 ALA A 75 55.974 31.244-137.958 1.00 0.30 H new ATOM 0 HB2 ALA A 75 55.320 32.616-138.885 1.00 0.30 H new ATOM 0 HB3 ALA A 75 57.007 32.103-139.124 1.00 0.30 H new ATOM 988 N ARG A 76 58.941 32.395-137.388 1.00 0.28 N ATOM 989 CA ARG A 76 60.190 31.896-136.759 1.00 0.31 C ATOM 990 C ARG A 76 60.499 32.763-135.543 1.00 0.28 C ATOM 991 O ARG A 76 60.749 32.268-134.462 1.00 0.30 O ATOM 992 CB ARG A 76 61.344 31.980-137.762 1.00 0.35 C ATOM 993 CG ARG A 76 62.655 31.615-137.062 1.00 0.66 C ATOM 994 CD ARG A 76 63.801 31.641-138.077 1.00 1.00 C ATOM 995 NE ARG A 76 65.095 31.431-137.369 1.00 1.51 N ATOM 996 CZ ARG A 76 66.165 31.119-138.045 1.00 2.03 C ATOM 997 NH1 ARG A 76 66.103 30.989-139.343 1.00 2.34 N ATOM 998 NH2 ARG A 76 67.299 30.936-137.425 1.00 3.14 N ATOM 0 H ARG A 76 58.964 32.491-138.403 1.00 0.28 H new ATOM 0 HA ARG A 76 60.065 30.857-136.454 1.00 0.31 H new ATOM 0 HB2 ARG A 76 61.164 31.303-138.597 1.00 0.35 H new ATOM 0 HB3 ARG A 76 61.408 32.986-138.176 1.00 0.35 H new ATOM 0 HG2 ARG A 76 62.856 32.318-136.253 1.00 0.66 H new ATOM 0 HG3 ARG A 76 62.576 30.625-136.612 1.00 0.66 H new ATOM 0 HD2 ARG A 76 63.654 30.864-138.827 1.00 1.00 H new ATOM 0 HD3 ARG A 76 63.813 32.595-138.604 1.00 1.00 H new ATOM 0 HE ARG A 76 65.144 31.531-136.355 1.00 1.51 H new ATOM 0 HH11 ARG A 76 65.217 31.132-139.828 1.00 2.34 H new ATOM 0 HH12 ARG A 76 66.940 30.745-139.872 1.00 2.34 H new ATOM 0 HH21 ARG A 76 67.348 31.037-136.411 1.00 3.14 H new ATOM 0 HH22 ARG A 76 68.136 30.692-137.954 1.00 3.14 H new ATOM 1012 N LEU A 77 60.482 34.053-135.707 1.00 0.30 N ATOM 1013 CA LEU A 77 60.775 34.941-134.545 1.00 0.31 C ATOM 1014 C LEU A 77 59.833 34.590-133.388 1.00 0.29 C ATOM 1015 O LEU A 77 60.259 34.235-132.308 1.00 0.30 O ATOM 1016 CB LEU A 77 60.579 36.399-134.954 1.00 0.35 C ATOM 1017 CG LEU A 77 61.860 36.907-135.614 1.00 0.41 C ATOM 1018 CD1 LEU A 77 61.540 38.115-136.492 1.00 0.51 C ATOM 1019 CD2 LEU A 77 62.865 37.317-134.534 1.00 0.38 C ATOM 0 H LEU A 77 60.280 34.531-136.585 1.00 0.30 H new ATOM 0 HA LEU A 77 61.807 34.798-134.224 1.00 0.31 H new ATOM 0 HB2 LEU A 77 59.740 36.487-135.644 1.00 0.35 H new ATOM 0 HB3 LEU A 77 60.339 37.006-134.081 1.00 0.35 H new ATOM 0 HG LEU A 77 62.287 36.114-136.228 1.00 0.41 H new ATOM 0 HD11 LEU A 77 62.455 38.476-136.962 1.00 0.51 H new ATOM 0 HD12 LEU A 77 60.826 37.825-137.263 1.00 0.51 H new ATOM 0 HD13 LEU A 77 61.110 38.907-135.879 1.00 0.51 H new ATOM 0 HD21 LEU A 77 63.778 37.679-135.006 1.00 0.38 H new ATOM 0 HD22 LEU A 77 62.436 38.108-133.919 1.00 0.38 H new ATOM 0 HD23 LEU A 77 63.097 36.456-133.907 1.00 0.38 H new ATOM 1031 N ILE A 78 58.555 34.679-133.618 1.00 0.29 N ATOM 1032 CA ILE A 78 57.560 34.347-132.559 1.00 0.32 C ATOM 1033 C ILE A 78 57.896 32.991-131.960 1.00 0.30 C ATOM 1034 O ILE A 78 57.938 32.821-130.765 1.00 0.32 O ATOM 1035 CB ILE A 78 56.170 34.294-133.174 1.00 0.37 C ATOM 1036 CG1 ILE A 78 55.770 35.701-133.595 1.00 0.38 C ATOM 1037 CG2 ILE A 78 55.170 33.764-132.145 1.00 0.45 C ATOM 1038 CD1 ILE A 78 54.823 35.622-134.786 1.00 0.37 C ATOM 0 H ILE A 78 58.150 34.972-134.507 1.00 0.29 H new ATOM 0 HA ILE A 78 57.587 35.108-131.780 1.00 0.32 H new ATOM 0 HB ILE A 78 56.173 33.631-134.040 1.00 0.37 H new ATOM 0 HG12 ILE A 78 55.287 36.217-132.766 1.00 0.38 H new ATOM 0 HG13 ILE A 78 56.656 36.280-133.858 1.00 0.38 H new ATOM 0 HG21 ILE A 78 54.175 33.728-132.589 1.00 0.45 H new ATOM 0 HG22 ILE A 78 55.465 32.762-131.833 1.00 0.45 H new ATOM 0 HG23 ILE A 78 55.156 34.424-131.278 1.00 0.45 H new ATOM 0 HD11 ILE A 78 54.535 36.629-135.089 1.00 0.37 H new ATOM 0 HD12 ILE A 78 55.323 35.122-135.616 1.00 0.37 H new ATOM 0 HD13 ILE A 78 53.933 35.059-134.506 1.00 0.37 H new ATOM 1050 N ARG A 79 58.168 32.032-132.792 1.00 0.29 N ATOM 1051 CA ARG A 79 58.544 30.687-132.262 1.00 0.32 C ATOM 1052 C ARG A 79 59.826 30.854-131.444 1.00 0.26 C ATOM 1053 O ARG A 79 60.084 30.117-130.514 1.00 0.26 O ATOM 1054 CB ARG A 79 58.789 29.719-133.423 1.00 0.38 C ATOM 1055 CG ARG A 79 59.836 28.681-133.013 1.00 0.39 C ATOM 1056 CD ARG A 79 59.886 27.566-134.058 1.00 0.39 C ATOM 1057 NE ARG A 79 60.978 26.612-133.715 1.00 1.50 N ATOM 1058 CZ ARG A 79 61.022 25.438-134.282 1.00 2.14 C ATOM 1059 NH1 ARG A 79 60.109 25.099-135.151 1.00 2.28 N ATOM 1060 NH2 ARG A 79 61.978 24.603-133.982 1.00 3.27 N ATOM 0 H ARG A 79 58.148 32.114-133.809 1.00 0.29 H new ATOM 0 HA ARG A 79 57.744 30.282-131.642 1.00 0.32 H new ATOM 0 HB2 ARG A 79 57.859 29.223-133.699 1.00 0.38 H new ATOM 0 HB3 ARG A 79 59.130 30.267-134.301 1.00 0.38 H new ATOM 0 HG2 ARG A 79 60.815 29.152-132.922 1.00 0.39 H new ATOM 0 HG3 ARG A 79 59.589 28.267-132.035 1.00 0.39 H new ATOM 0 HD2 ARG A 79 58.930 27.043-134.094 1.00 0.39 H new ATOM 0 HD3 ARG A 79 60.056 27.989-135.048 1.00 0.39 H new ATOM 0 HE ARG A 79 61.692 26.877-133.036 1.00 1.50 H new ATOM 0 HH11 ARG A 79 59.362 25.752-135.386 1.00 2.28 H new ATOM 0 HH12 ARG A 79 60.143 24.181-135.595 1.00 2.28 H new ATOM 0 HH21 ARG A 79 62.692 24.868-133.303 1.00 3.27 H new ATOM 0 HH22 ARG A 79 62.012 23.685-134.426 1.00 3.27 H new ATOM 1074 N ASN A 80 60.618 31.842-131.773 1.00 0.23 N ATOM 1075 CA ASN A 80 61.869 32.088-131.003 1.00 0.21 C ATOM 1076 C ASN A 80 61.496 32.824-129.720 1.00 0.21 C ATOM 1077 O ASN A 80 62.181 32.743-128.720 1.00 0.22 O ATOM 1078 CB ASN A 80 62.831 32.939-131.832 1.00 0.23 C ATOM 1079 CG ASN A 80 62.920 32.375-133.252 1.00 0.30 C ATOM 1080 OD1 ASN A 80 63.267 33.081-134.177 1.00 1.06 O ATOM 1081 ND2 ASN A 80 62.616 31.124-133.463 1.00 1.15 N ATOM 0 H ASN A 80 60.450 32.489-132.544 1.00 0.23 H new ATOM 0 HA ASN A 80 62.361 31.144-130.767 1.00 0.21 H new ATOM 0 HB2 ASN A 80 62.486 33.973-131.861 1.00 0.23 H new ATOM 0 HB3 ASN A 80 63.818 32.945-131.370 1.00 0.23 H new ATOM 0 HD21 ASN A 80 62.670 30.738-134.406 1.00 1.15 H new ATOM 0 HD22 ASN A 80 62.325 30.532-132.685 1.00 1.15 H new ATOM 1088 N LEU A 81 60.364 33.476-129.721 1.00 0.23 N ATOM 1089 CA LEU A 81 59.899 34.144-128.480 1.00 0.28 C ATOM 1090 C LEU A 81 59.341 33.026-127.622 1.00 0.30 C ATOM 1091 O LEU A 81 59.728 32.817-126.491 1.00 0.31 O ATOM 1092 CB LEU A 81 58.787 35.151-128.800 1.00 0.35 C ATOM 1093 CG LEU A 81 59.396 36.498-129.196 1.00 0.44 C ATOM 1094 CD1 LEU A 81 60.320 36.995-128.082 1.00 1.28 C ATOM 1095 CD2 LEU A 81 60.193 36.334-130.492 1.00 1.26 C ATOM 0 H LEU A 81 59.746 33.573-130.527 1.00 0.23 H new ATOM 0 HA LEU A 81 60.702 34.691-127.987 1.00 0.28 H new ATOM 0 HB2 LEU A 81 58.165 34.772-129.611 1.00 0.35 H new ATOM 0 HB3 LEU A 81 58.139 35.277-127.933 1.00 0.35 H new ATOM 0 HG LEU A 81 58.599 37.225-129.349 1.00 0.44 H new ATOM 0 HD11 LEU A 81 60.751 37.954-128.368 1.00 1.28 H new ATOM 0 HD12 LEU A 81 59.749 37.114-127.161 1.00 1.28 H new ATOM 0 HD13 LEU A 81 61.119 36.271-127.922 1.00 1.28 H new ATOM 0 HD21 LEU A 81 60.628 37.293-130.776 1.00 1.26 H new ATOM 0 HD22 LEU A 81 60.989 35.605-130.340 1.00 1.26 H new ATOM 0 HD23 LEU A 81 59.531 35.987-131.285 1.00 1.26 H new ATOM 1107 N ASN A 82 58.457 32.273-128.206 1.00 0.35 N ATOM 1108 CA ASN A 82 57.866 31.110-127.517 1.00 0.42 C ATOM 1109 C ASN A 82 58.994 30.305-126.886 1.00 0.37 C ATOM 1110 O ASN A 82 59.056 30.145-125.687 1.00 0.38 O ATOM 1111 CB ASN A 82 57.123 30.274-128.565 1.00 0.51 C ATOM 1112 CG ASN A 82 55.689 30.785-128.705 1.00 0.62 C ATOM 1113 OD1 ASN A 82 54.749 30.019-128.625 1.00 1.27 O ATOM 1114 ND2 ASN A 82 55.479 32.056-128.912 1.00 0.98 N ATOM 0 H ASN A 82 58.115 32.423-129.155 1.00 0.35 H new ATOM 0 HA ASN A 82 57.169 31.413-126.736 1.00 0.42 H new ATOM 0 HB2 ASN A 82 57.637 30.335-129.524 1.00 0.51 H new ATOM 0 HB3 ASN A 82 57.119 29.224-128.271 1.00 0.51 H new ATOM 0 HD21 ASN A 82 54.526 32.407-129.007 1.00 0.98 H new ATOM 0 HD22 ASN A 82 56.268 32.699-128.979 1.00 0.98 H new ATOM 1121 N VAL A 83 59.901 29.817-127.680 1.00 0.35 N ATOM 1122 CA VAL A 83 61.037 29.046-127.112 1.00 0.36 C ATOM 1123 C VAL A 83 61.678 29.874-125.999 1.00 0.32 C ATOM 1124 O VAL A 83 61.847 29.418-124.891 1.00 0.35 O ATOM 1125 CB VAL A 83 62.070 28.783-128.210 1.00 0.38 C ATOM 1126 CG1 VAL A 83 63.333 28.182-127.593 1.00 0.42 C ATOM 1127 CG2 VAL A 83 61.489 27.807-129.235 1.00 0.44 C ATOM 0 H VAL A 83 59.905 29.918-128.695 1.00 0.35 H new ATOM 0 HA VAL A 83 60.684 28.095-126.714 1.00 0.36 H new ATOM 0 HB VAL A 83 62.320 29.722-128.703 1.00 0.38 H new ATOM 0 HG11 VAL A 83 64.067 27.995-128.377 1.00 0.42 H new ATOM 0 HG12 VAL A 83 63.749 28.878-126.864 1.00 0.42 H new ATOM 0 HG13 VAL A 83 63.085 27.243-127.098 1.00 0.42 H new ATOM 0 HG21 VAL A 83 62.225 27.620-130.017 1.00 0.44 H new ATOM 0 HG22 VAL A 83 61.237 26.868-128.742 1.00 0.44 H new ATOM 0 HG23 VAL A 83 60.590 28.237-129.678 1.00 0.44 H new ATOM 1137 N ILE A 84 62.038 31.092-126.293 1.00 0.27 N ATOM 1138 CA ILE A 84 62.667 31.940-125.248 1.00 0.30 C ATOM 1139 C ILE A 84 61.879 31.786-123.949 1.00 0.31 C ATOM 1140 O ILE A 84 62.428 31.491-122.902 1.00 0.37 O ATOM 1141 CB ILE A 84 62.652 33.401-125.669 1.00 0.34 C ATOM 1142 CG1 ILE A 84 63.785 33.644-126.661 1.00 0.37 C ATOM 1143 CG2 ILE A 84 62.858 34.283-124.435 1.00 0.44 C ATOM 1144 CD1 ILE A 84 63.454 34.866-127.505 1.00 0.37 C ATOM 0 H ILE A 84 61.924 31.533-127.206 1.00 0.27 H new ATOM 0 HA ILE A 84 63.701 31.625-125.107 1.00 0.30 H new ATOM 0 HB ILE A 84 61.697 33.644-126.135 1.00 0.34 H new ATOM 0 HG12 ILE A 84 64.724 33.797-126.129 1.00 0.37 H new ATOM 0 HG13 ILE A 84 63.919 32.771-127.300 1.00 0.37 H new ATOM 0 HG21 ILE A 84 62.848 35.332-124.732 1.00 0.44 H new ATOM 0 HG22 ILE A 84 62.056 34.101-123.719 1.00 0.44 H new ATOM 0 HG23 ILE A 84 63.817 34.045-123.974 1.00 0.44 H new ATOM 0 HD11 ILE A 84 64.260 35.046-128.217 1.00 0.37 H new ATOM 0 HD12 ILE A 84 62.524 34.693-128.046 1.00 0.37 H new ATOM 0 HD13 ILE A 84 63.341 35.736-126.858 1.00 0.37 H new ATOM 1156 N LEU A 85 60.590 31.985-124.007 1.00 0.35 N ATOM 1157 CA LEU A 85 59.766 31.854-122.772 1.00 0.42 C ATOM 1158 C LEU A 85 59.810 30.407-122.286 1.00 0.42 C ATOM 1159 O LEU A 85 60.215 30.131-121.183 1.00 0.47 O ATOM 1160 CB LEU A 85 58.321 32.254-123.074 1.00 0.54 C ATOM 1161 CG LEU A 85 58.162 33.765-122.891 1.00 0.61 C ATOM 1162 CD1 LEU A 85 58.464 34.135-121.438 1.00 0.69 C ATOM 1163 CD2 LEU A 85 59.141 34.497-123.813 1.00 0.61 C ATOM 0 H LEU A 85 60.074 32.231-124.852 1.00 0.35 H new ATOM 0 HA LEU A 85 60.164 32.509-121.997 1.00 0.42 H new ATOM 0 HB2 LEU A 85 58.059 31.971-124.093 1.00 0.54 H new ATOM 0 HB3 LEU A 85 57.639 31.723-122.410 1.00 0.54 H new ATOM 0 HG LEU A 85 57.141 34.055-123.139 1.00 0.61 H new ATOM 0 HD11 LEU A 85 58.351 35.211-121.306 1.00 0.69 H new ATOM 0 HD12 LEU A 85 57.771 33.614-120.778 1.00 0.69 H new ATOM 0 HD13 LEU A 85 59.486 33.844-121.193 1.00 0.69 H new ATOM 0 HD21 LEU A 85 59.028 35.573-123.683 1.00 0.61 H new ATOM 0 HD22 LEU A 85 60.162 34.207-123.564 1.00 0.61 H new ATOM 0 HD23 LEU A 85 58.931 34.233-124.850 1.00 0.61 H new ATOM 1175 N ALA A 86 59.402 29.485-123.103 1.00 0.47 N ATOM 1176 CA ALA A 86 59.427 28.055-122.692 1.00 0.58 C ATOM 1177 C ALA A 86 60.819 27.698-122.155 1.00 0.59 C ATOM 1178 O ALA A 86 61.006 26.691-121.502 1.00 0.73 O ATOM 1179 CB ALA A 86 59.117 27.183-123.910 1.00 0.64 C ATOM 0 H ALA A 86 59.050 29.658-124.044 1.00 0.47 H new ATOM 0 HA ALA A 86 58.685 27.884-121.912 1.00 0.58 H new ATOM 0 HB1 ALA A 86 59.133 26.133-123.619 1.00 0.64 H new ATOM 0 HB2 ALA A 86 58.131 27.437-124.298 1.00 0.64 H new ATOM 0 HB3 ALA A 86 59.866 27.357-124.682 1.00 0.64 H new ATOM 1185 N LYS A 87 61.799 28.508-122.450 1.00 0.50 N ATOM 1186 CA LYS A 87 63.189 28.218-121.992 1.00 0.60 C ATOM 1187 C LYS A 87 63.415 28.785-120.594 1.00 0.58 C ATOM 1188 O LYS A 87 63.942 28.123-119.722 1.00 0.71 O ATOM 1189 CB LYS A 87 64.171 28.877-122.954 1.00 0.61 C ATOM 1190 CG LYS A 87 65.512 28.142-122.905 1.00 0.82 C ATOM 1191 CD LYS A 87 66.650 29.140-123.128 1.00 0.99 C ATOM 1192 CE LYS A 87 67.988 28.470-122.808 1.00 1.63 C ATOM 1193 NZ LYS A 87 68.313 28.673-121.367 1.00 2.02 N ATOM 0 H LYS A 87 61.696 29.365-122.993 1.00 0.50 H new ATOM 0 HA LYS A 87 63.340 27.139-121.969 1.00 0.60 H new ATOM 0 HB2 LYS A 87 63.771 28.857-123.968 1.00 0.61 H new ATOM 0 HB3 LYS A 87 64.309 29.925-122.687 1.00 0.61 H new ATOM 0 HG2 LYS A 87 65.632 27.647-121.942 1.00 0.82 H new ATOM 0 HG3 LYS A 87 65.541 27.365-123.669 1.00 0.82 H new ATOM 0 HD2 LYS A 87 66.644 29.489-124.160 1.00 0.99 H new ATOM 0 HD3 LYS A 87 66.509 30.016-122.494 1.00 0.99 H new ATOM 0 HE2 LYS A 87 67.937 27.405-123.034 1.00 1.63 H new ATOM 0 HE3 LYS A 87 68.776 28.891-123.432 1.00 1.63 H new ATOM 0 HZ1 LYS A 87 69.222 28.218-121.149 1.00 2.02 H new ATOM 0 HZ2 LYS A 87 68.378 29.691-121.166 1.00 2.02 H new ATOM 0 HZ3 LYS A 87 67.565 28.252-120.780 1.00 2.02 H new ATOM 1207 N TYR A 88 63.008 29.998-120.370 1.00 0.45 N ATOM 1208 CA TYR A 88 63.190 30.588-119.017 1.00 0.47 C ATOM 1209 C TYR A 88 62.074 30.066-118.122 1.00 0.54 C ATOM 1210 O TYR A 88 62.156 30.084-116.910 1.00 0.58 O ATOM 1211 CB TYR A 88 63.128 32.115-119.099 1.00 0.44 C ATOM 1212 CG TYR A 88 64.445 32.634-119.621 1.00 0.45 C ATOM 1213 CD1 TYR A 88 65.501 32.884-118.736 1.00 0.58 C ATOM 1214 CD2 TYR A 88 64.615 32.859-120.993 1.00 0.53 C ATOM 1215 CE1 TYR A 88 66.723 33.361-119.221 1.00 0.64 C ATOM 1216 CE2 TYR A 88 65.839 33.334-121.478 1.00 0.62 C ATOM 1217 CZ TYR A 88 66.893 33.584-120.593 1.00 0.61 C ATOM 1218 OH TYR A 88 68.100 34.052-121.072 1.00 0.73 O ATOM 0 H TYR A 88 62.560 30.604-121.058 1.00 0.45 H new ATOM 0 HA TYR A 88 64.161 30.308-118.610 1.00 0.47 H new ATOM 0 HB2 TYR A 88 62.315 32.424-119.756 1.00 0.44 H new ATOM 0 HB3 TYR A 88 62.921 32.537-118.115 1.00 0.44 H new ATOM 0 HD1 TYR A 88 65.372 32.708-117.678 1.00 0.58 H new ATOM 0 HD2 TYR A 88 63.802 32.666-121.677 1.00 0.53 H new ATOM 0 HE1 TYR A 88 67.536 33.557-118.537 1.00 0.64 H new ATOM 0 HE2 TYR A 88 65.970 33.508-122.536 1.00 0.62 H new ATOM 0 HH TYR A 88 68.136 33.930-122.044 1.00 0.73 H new ATOM 1228 N GLY A 89 61.019 29.628-118.735 1.00 0.59 N ATOM 1229 CA GLY A 89 59.855 29.124-117.958 1.00 0.69 C ATOM 1230 C GLY A 89 59.025 30.332-117.537 1.00 0.77 C ATOM 1231 O GLY A 89 58.579 30.438-116.412 1.00 1.09 O ATOM 0 H GLY A 89 60.909 29.596-119.748 1.00 0.59 H new ATOM 0 HA2 GLY A 89 59.258 28.441-118.562 1.00 0.69 H new ATOM 0 HA3 GLY A 89 60.191 28.566-117.084 1.00 0.69 H new ATOM 1235 N LEU A 90 58.825 31.247-118.443 1.00 0.65 N ATOM 1236 CA LEU A 90 58.037 32.462-118.126 1.00 0.75 C ATOM 1237 C LEU A 90 56.880 32.599-119.118 1.00 0.80 C ATOM 1238 O LEU A 90 56.561 33.683-119.563 1.00 1.31 O ATOM 1239 CB LEU A 90 58.951 33.680-118.246 1.00 0.82 C ATOM 1240 CG LEU A 90 59.032 34.386-116.900 1.00 1.03 C ATOM 1241 CD1 LEU A 90 59.845 35.670-117.055 1.00 1.50 C ATOM 1242 CD2 LEU A 90 57.617 34.721-116.428 1.00 1.68 C ATOM 0 H LEU A 90 59.179 31.201-119.399 1.00 0.65 H new ATOM 0 HA LEU A 90 57.635 32.390-117.115 1.00 0.75 H new ATOM 0 HB2 LEU A 90 59.946 33.372-118.568 1.00 0.82 H new ATOM 0 HB3 LEU A 90 58.568 34.363-119.005 1.00 0.82 H new ATOM 0 HG LEU A 90 59.516 33.741-116.167 1.00 1.03 H new ATOM 0 HD11 LEU A 90 59.906 36.180-116.094 1.00 1.50 H new ATOM 0 HD12 LEU A 90 60.849 35.425-117.401 1.00 1.50 H new ATOM 0 HD13 LEU A 90 59.360 36.322-117.781 1.00 1.50 H new ATOM 0 HD21 LEU A 90 57.665 35.227-115.464 1.00 1.68 H new ATOM 0 HD22 LEU A 90 57.135 35.373-117.157 1.00 1.68 H new ATOM 0 HD23 LEU A 90 57.040 33.802-116.327 1.00 1.68 H new ATOM 1254 N ASP A 91 56.244 31.515-119.470 1.00 0.77 N ATOM 1255 CA ASP A 91 55.117 31.603-120.426 1.00 0.87 C ATOM 1256 C ASP A 91 53.836 31.888-119.649 1.00 1.30 C ATOM 1257 O ASP A 91 53.696 32.913-119.013 1.00 1.70 O ATOM 1258 CB ASP A 91 54.981 30.273-121.173 1.00 1.04 C ATOM 1259 CG ASP A 91 56.358 29.817-121.658 1.00 0.99 C ATOM 1260 OD1 ASP A 91 57.318 30.023-120.934 1.00 1.42 O ATOM 1261 OD2 ASP A 91 56.428 29.269-122.746 1.00 0.84 O ATOM 0 H ASP A 91 56.460 30.576-119.135 1.00 0.77 H new ATOM 0 HA ASP A 91 55.298 32.402-121.145 1.00 0.87 H new ATOM 0 HB2 ASP A 91 54.546 29.518-120.517 1.00 1.04 H new ATOM 0 HB3 ASP A 91 54.305 30.387-122.020 1.00 1.04 H new ATOM 1266 N GLY A 92 52.896 30.994-119.706 1.00 1.77 N ATOM 1267 CA GLY A 92 51.612 31.214-118.980 1.00 2.22 C ATOM 1268 C GLY A 92 50.892 32.413-119.599 1.00 2.72 C ATOM 1269 O GLY A 92 49.737 32.335-119.970 1.00 3.30 O ATOM 0 H GLY A 92 52.957 30.117-120.224 1.00 1.77 H new ATOM 0 HA2 GLY A 92 50.986 30.324-119.044 1.00 2.22 H new ATOM 0 HA3 GLY A 92 51.803 31.394-117.922 1.00 2.22 H new ATOM 1273 N LYS A 93 51.572 33.519-119.723 1.00 3.13 N ATOM 1274 CA LYS A 93 50.943 34.727-120.329 1.00 3.96 C ATOM 1275 C LYS A 93 49.668 35.099-119.565 1.00 4.22 C ATOM 1276 O LYS A 93 49.044 36.103-119.843 1.00 4.63 O ATOM 1277 CB LYS A 93 50.594 34.438-121.790 1.00 4.60 C ATOM 1278 CG LYS A 93 51.845 33.962-122.530 1.00 4.79 C ATOM 1279 CD LYS A 93 51.451 32.930-123.588 1.00 5.91 C ATOM 1280 CE LYS A 93 50.742 33.631-124.748 1.00 6.60 C ATOM 1281 NZ LYS A 93 50.974 32.867-126.007 1.00 6.86 N ATOM 0 H LYS A 93 52.541 33.639-119.429 1.00 3.13 H new ATOM 0 HA LYS A 93 51.645 35.559-120.274 1.00 3.96 H new ATOM 0 HB2 LYS A 93 49.815 33.678-121.845 1.00 4.60 H new ATOM 0 HB3 LYS A 93 50.198 35.336-122.264 1.00 4.60 H new ATOM 0 HG2 LYS A 93 52.346 34.808-123.001 1.00 4.79 H new ATOM 0 HG3 LYS A 93 52.553 33.524-121.826 1.00 4.79 H new ATOM 0 HD2 LYS A 93 52.337 32.410-123.951 1.00 5.91 H new ATOM 0 HD3 LYS A 93 50.796 32.177-123.150 1.00 5.91 H new ATOM 0 HE2 LYS A 93 49.673 33.703-124.545 1.00 6.60 H new ATOM 0 HE3 LYS A 93 51.115 34.650-124.854 1.00 6.60 H new ATOM 0 HZ1 LYS A 93 50.492 33.343-126.796 1.00 6.86 H new ATOM 0 HZ2 LYS A 93 51.995 32.821-126.202 1.00 6.86 H new ATOM 0 HZ3 LYS A 93 50.597 31.903-125.903 1.00 6.86 H new ATOM 1295 N LYS A 94 49.274 34.306-118.607 1.00 4.52 N ATOM 1296 CA LYS A 94 48.039 34.631-117.839 1.00 5.25 C ATOM 1297 C LYS A 94 48.337 34.554-116.340 1.00 5.64 C ATOM 1298 O LYS A 94 48.187 35.518-115.617 1.00 6.30 O ATOM 1299 CB LYS A 94 46.939 33.627-118.193 1.00 6.00 C ATOM 1300 CG LYS A 94 46.792 33.547-119.714 1.00 6.18 C ATOM 1301 CD LYS A 94 45.902 32.357-120.080 1.00 7.02 C ATOM 1302 CE LYS A 94 46.122 31.987-121.549 1.00 7.55 C ATOM 1303 NZ LYS A 94 45.396 32.957-122.418 1.00 7.75 N ATOM 0 H LYS A 94 49.751 33.450-118.324 1.00 4.52 H new ATOM 0 HA LYS A 94 47.707 35.638-118.093 1.00 5.25 H new ATOM 0 HB2 LYS A 94 47.184 32.645-117.788 1.00 6.00 H new ATOM 0 HB3 LYS A 94 45.995 33.931-117.741 1.00 6.00 H new ATOM 0 HG2 LYS A 94 46.358 34.471-120.097 1.00 6.18 H new ATOM 0 HG3 LYS A 94 47.772 33.438-120.179 1.00 6.18 H new ATOM 0 HD2 LYS A 94 46.135 31.505-119.441 1.00 7.02 H new ATOM 0 HD3 LYS A 94 44.855 32.607-119.910 1.00 7.02 H new ATOM 0 HE2 LYS A 94 47.187 31.998-121.783 1.00 7.55 H new ATOM 0 HE3 LYS A 94 45.765 30.975-121.738 1.00 7.55 H new ATOM 0 HZ1 LYS A 94 45.544 32.707-123.417 1.00 7.75 H new ATOM 0 HZ2 LYS A 94 44.380 32.925-122.200 1.00 7.75 H new ATOM 0 HZ3 LYS A 94 45.757 33.917-122.244 1.00 7.75 H new ATOM 1317 N ASP A 95 48.763 33.413-115.871 1.00 5.55 N ATOM 1318 CA ASP A 95 49.074 33.280-114.419 1.00 6.18 C ATOM 1319 C ASP A 95 49.054 31.808-114.004 1.00 6.72 C ATOM 1320 O ASP A 95 48.009 31.221-113.803 1.00 7.02 O ATOM 1321 CB ASP A 95 48.032 34.053-113.605 1.00 6.12 C ATOM 1322 CG ASP A 95 47.861 33.397-112.234 1.00 6.05 C ATOM 1323 OD1 ASP A 95 48.831 32.847-111.738 1.00 6.22 O ATOM 1324 OD2 ASP A 95 46.763 33.455-111.703 1.00 6.23 O ATOM 0 H ASP A 95 48.909 32.571-116.427 1.00 5.55 H new ATOM 0 HA ASP A 95 50.068 33.686-114.230 1.00 6.18 H new ATOM 0 HB2 ASP A 95 48.345 35.090-113.486 1.00 6.12 H new ATOM 0 HB3 ASP A 95 47.079 34.066-114.134 1.00 6.12 H new ATOM 1329 N ALA A 96 50.205 31.212-113.858 1.00 7.12 N ATOM 1330 CA ALA A 96 50.255 29.784-113.437 1.00 7.86 C ATOM 1331 C ALA A 96 49.598 29.655-112.061 1.00 8.30 C ATOM 1332 O ALA A 96 49.471 30.622-111.337 1.00 8.93 O ATOM 1333 CB ALA A 96 51.712 29.323-113.357 1.00 8.22 C ATOM 0 H ALA A 96 51.112 31.652-114.012 1.00 7.12 H new ATOM 0 HA ALA A 96 49.726 29.164-114.161 1.00 7.86 H new ATOM 0 HB1 ALA A 96 51.747 28.278-113.049 1.00 8.22 H new ATOM 0 HB2 ALA A 96 52.181 29.429-114.335 1.00 8.22 H new ATOM 0 HB3 ALA A 96 52.247 29.934-112.630 1.00 8.22 H new ATOM 1339 N ARG A 97 49.176 28.478-111.689 1.00 8.23 N ATOM 1340 CA ARG A 97 48.528 28.314-110.357 1.00 8.95 C ATOM 1341 C ARG A 97 48.905 26.956-109.763 1.00 9.53 C ATOM 1342 O ARG A 97 49.740 26.247-110.290 1.00 9.76 O ATOM 1343 CB ARG A 97 47.007 28.395-110.517 1.00 8.85 C ATOM 1344 CG ARG A 97 46.570 27.519-111.693 1.00 8.58 C ATOM 1345 CD ARG A 97 45.044 27.539-111.801 1.00 8.65 C ATOM 1346 NE ARG A 97 44.534 26.145-111.968 1.00 9.34 N ATOM 1347 CZ ARG A 97 45.153 25.299-112.748 1.00 9.46 C ATOM 1348 NH1 ARG A 97 46.191 25.681-113.441 1.00 9.01 N ATOM 1349 NH2 ARG A 97 44.721 24.072-112.848 1.00 10.30 N ATOM 0 H ARG A 97 49.251 27.627-112.246 1.00 8.23 H new ATOM 0 HA ARG A 97 48.869 29.106-109.691 1.00 8.95 H new ATOM 0 HB2 ARG A 97 46.516 28.064-109.602 1.00 8.85 H new ATOM 0 HB3 ARG A 97 46.703 29.428-110.687 1.00 8.85 H new ATOM 0 HG2 ARG A 97 47.016 27.884-112.618 1.00 8.58 H new ATOM 0 HG3 ARG A 97 46.922 26.497-111.551 1.00 8.58 H new ATOM 0 HD2 ARG A 97 44.612 27.990-110.908 1.00 8.65 H new ATOM 0 HD3 ARG A 97 44.738 28.153-112.648 1.00 8.65 H new ATOM 0 HE ARG A 97 43.695 25.851-111.469 1.00 9.34 H new ATOM 0 HH11 ARG A 97 46.522 26.643-113.375 1.00 9.01 H new ATOM 0 HH12 ARG A 97 46.671 25.017-114.049 1.00 9.01 H new ATOM 0 HH21 ARG A 97 43.902 23.775-112.318 1.00 10.30 H new ATOM 0 HH22 ARG A 97 45.203 23.410-113.456 1.00 10.30 H new ATOM 1363 N GLN A 98 48.297 26.589-108.668 1.00 9.97 N ATOM 1364 CA GLN A 98 48.619 25.278-108.039 1.00 10.76 C ATOM 1365 C GLN A 98 47.411 24.346-108.156 1.00 10.99 C ATOM 1366 O GLN A 98 46.377 24.678-107.602 1.00 11.00 O ATOM 1367 CB GLN A 98 48.959 25.492-106.562 1.00 11.07 C ATOM 1368 CG GLN A 98 48.824 24.167-105.808 1.00 11.38 C ATOM 1369 CD GLN A 98 49.334 24.340-104.377 1.00 11.58 C ATOM 1370 OE1 GLN A 98 49.983 25.318-104.064 1.00 11.67 O ATOM 1371 NE2 GLN A 98 49.068 23.423-103.487 1.00 11.85 N ATOM 0 H GLN A 98 47.591 27.141-108.182 1.00 9.97 H new ATOM 0 HA GLN A 98 49.473 24.830-108.547 1.00 10.76 H new ATOM 0 HB2 GLN A 98 49.974 25.876-106.464 1.00 11.07 H new ATOM 0 HB3 GLN A 98 48.293 26.238-106.129 1.00 11.07 H new ATOM 0 HG2 GLN A 98 47.782 23.847-105.798 1.00 11.38 H new ATOM 0 HG3 GLN A 98 49.392 23.388-106.316 1.00 11.38 H new ATOM 0 HE21 GLN A 98 48.523 22.601-103.748 1.00 11.85 H new ATOM 0 HE22 GLN A 98 49.405 23.528-102.530 1.00 11.85 H new TER 1380 GLN A 98