USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 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 11 CYS SG : rot 47:sc= 0.337 USER MOD Set 1.2: A 37 HIS : no HE2:sc= 0.0678 K(o=0.41,f=-0.62) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 0 HIS N :NH3+ -108:sc= 0.0162 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc=-0.00948 X(o=-0.0095,f=-0.3) USER MOD Single : A 12 SER OG : rot 180:sc= -0.019 USER MOD Single : A 17 HIS : no HE2:sc= -1.26! C(o=-1.3!,f=-3.5!) USER MOD Single : A 19 TYR OH : rot 122:sc= 0.263 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 52 GLN : amide:sc= -3.83 K(o=-3.8,f=-8.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -168:sc= 0 (180deg=-0.193) USER MOD Single : A 84 SER OG : rot -16:sc= 0.707 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 0 -7.894-131.457-119.596 1.00 0.00 N ATOM 22 CA HIS A 0 -6.945-131.993-120.573 1.00 0.00 C ATOM 23 C HIS A 0 -6.884-133.519-120.491 1.00 0.00 C ATOM 24 O HIS A 0 -6.945-134.093-119.402 1.00 0.00 O ATOM 25 CB HIS A 0 -5.550-131.401-120.343 1.00 0.00 C ATOM 26 CG HIS A 0 -5.458-129.937-120.652 1.00 0.00 C ATOM 27 ND1 HIS A 0 -5.223-129.450-121.921 1.00 0.00 N ATOM 28 CD2 HIS A 0 -5.571-128.853-119.850 1.00 0.00 C ATOM 29 CE1 HIS A 0 -5.195-128.130-121.885 1.00 0.00 C ATOM 30 NE2 HIS A 0 -5.403-127.742-120.641 1.00 0.00 N ATOM 0 H1 HIS A 0 -8.741-131.110-120.089 1.00 0.00 H new ATOM 0 H2 HIS A 0 -8.165-132.207-118.928 1.00 0.00 H new ATOM 0 H3 HIS A 0 -7.451-130.673-119.076 1.00 0.00 H new ATOM 0 HA HIS A 0 -7.290-131.713-121.568 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -5.263-131.563-119.304 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -4.830-131.939-120.960 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -5.758-128.860-118.786 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -5.030-127.479-122.730 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -5.434-126.775-120.319 1.00 0.00 H new ATOM 39 N MET A 1 -6.762-134.168-121.652 1.00 0.00 N ATOM 40 CA MET A 1 -6.691-135.629-121.717 1.00 0.00 C ATOM 41 C MET A 1 -5.240-136.103-121.795 1.00 0.00 C ATOM 42 O MET A 1 -4.816-136.954-121.012 1.00 0.00 O ATOM 43 CB MET A 1 -7.479-136.148-122.927 1.00 0.00 C ATOM 44 CG MET A 1 -8.984-135.950-122.810 1.00 0.00 C ATOM 45 SD MET A 1 -9.885-136.579-124.240 1.00 0.00 S ATOM 46 CE MET A 1 -11.567-136.158-123.794 1.00 0.00 C ATOM 0 H MET A 1 -6.710-133.704-122.559 1.00 0.00 H new ATOM 0 HA MET A 1 -7.135-136.030-120.806 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.124-135.642-123.825 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.270-137.210-123.056 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.343-136.451-121.911 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.198-134.888-122.690 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.245-136.484-124.583 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.831-136.654-122.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.650-135.079-123.667 1.00 0.00 H new ATOM 56 N SER A 2 -4.483-135.546-122.745 1.00 0.00 N ATOM 57 CA SER A 2 -3.078-135.910-122.930 1.00 0.00 C ATOM 58 C SER A 2 -2.213-134.664-123.129 1.00 0.00 C ATOM 59 O SER A 2 -2.607-133.733-123.835 1.00 0.00 O ATOM 60 CB SER A 2 -2.925-136.851-124.129 1.00 0.00 C ATOM 61 OG SER A 2 -3.435-136.262-125.313 1.00 0.00 O ATOM 0 H SER A 2 -4.822-134.840-123.398 1.00 0.00 H new ATOM 0 HA SER A 2 -2.740-136.424-122.030 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.873-137.099-124.268 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.449-137.786-123.930 1.00 0.00 H new ATOM 0 HG SER A 2 -3.323-136.884-126.062 1.00 0.00 H new ATOM 67 N ALA A 3 -1.034-134.656-122.504 1.00 0.00 N ATOM 68 CA ALA A 3 -0.110-133.528-122.609 1.00 0.00 C ATOM 69 C ALA A 3 0.999-133.815-123.622 1.00 0.00 C ATOM 70 O ALA A 3 1.238-133.020-124.533 1.00 0.00 O ATOM 71 CB ALA A 3 0.486-133.202-121.245 1.00 0.00 C ATOM 0 H ALA A 3 -0.697-135.421-121.919 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.672-132.663-122.962 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.172-132.360-121.339 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.314-132.943-120.551 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.027-134.070-120.867 1.00 0.00 H new ATOM 77 N GLY A 4 1.676-134.956-123.456 1.00 0.00 N ATOM 78 CA GLY A 4 2.752-135.330-124.361 1.00 0.00 C ATOM 79 C GLY A 4 4.101-134.786-123.923 1.00 0.00 C ATOM 80 O GLY A 4 4.181-133.989-122.986 1.00 0.00 O ATOM 0 H GLY A 4 1.496-135.627-122.709 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.806-136.417-124.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.524-134.963-125.362 1.00 0.00 H new ATOM 84 N GLU A 5 5.163-135.219-124.604 1.00 0.00 N ATOM 85 CA GLU A 5 6.522-134.775-124.285 1.00 0.00 C ATOM 86 C GLU A 5 6.929-133.583-125.160 1.00 0.00 C ATOM 87 O GLU A 5 6.473-133.459-126.298 1.00 0.00 O ATOM 88 CB GLU A 5 7.520-135.930-124.458 1.00 0.00 C ATOM 89 CG GLU A 5 7.628-136.456-125.886 1.00 0.00 C ATOM 90 CD GLU A 5 8.594-137.620-126.007 1.00 0.00 C ATOM 91 OE1 GLU A 5 8.146-138.779-125.870 1.00 0.00 O ATOM 92 OE2 GLU A 5 9.796-137.373-126.239 1.00 0.00 O ATOM 0 H GLU A 5 5.109-135.878-125.381 1.00 0.00 H new ATOM 0 HA GLU A 5 6.537-134.454-123.243 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.505-135.596-124.130 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.227-136.750-123.802 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.642-136.769-126.229 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.953-135.649-126.543 1.00 0.00 H new ATOM 99 N PRO A 6 7.796-132.687-124.640 1.00 0.00 N ATOM 100 CA PRO A 6 8.257-131.508-125.383 1.00 0.00 C ATOM 101 C PRO A 6 9.284-131.855-126.462 1.00 0.00 C ATOM 102 O PRO A 6 9.949-132.891-126.387 1.00 0.00 O ATOM 103 CB PRO A 6 8.891-130.637-124.296 1.00 0.00 C ATOM 104 CG PRO A 6 9.367-131.606-123.268 1.00 0.00 C ATOM 105 CD PRO A 6 8.391-132.754-123.287 1.00 0.00 C ATOM 0 HA PRO A 6 7.444-131.022-125.922 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.715-130.044-124.693 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.168-129.937-123.877 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.376-131.950-123.495 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.402-131.142-122.282 1.00 0.00 H new ATOM 0 HD2 PRO A 6 8.891-133.707-123.116 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.633-132.648-122.511 1.00 0.00 H new ATOM 113 N HIS A 7 9.406-130.982-127.463 1.00 0.00 N ATOM 114 CA HIS A 7 10.350-131.188-128.562 1.00 0.00 C ATOM 115 C HIS A 7 11.157-129.917-128.837 1.00 0.00 C ATOM 116 O HIS A 7 10.737-128.815-128.478 1.00 0.00 O ATOM 117 CB HIS A 7 9.608-131.617-129.831 1.00 0.00 C ATOM 118 CG HIS A 7 9.038-132.991-129.752 1.00 0.00 C ATOM 119 ND1 HIS A 7 7.906-133.311-129.033 1.00 0.00 N ATOM 120 CD2 HIS A 7 9.459-134.130-130.319 1.00 0.00 C ATOM 121 CE1 HIS A 7 7.659-134.604-129.165 1.00 0.00 C ATOM 122 NE2 HIS A 7 8.589-135.125-129.945 1.00 0.00 N ATOM 0 H HIS A 7 8.861-130.123-127.535 1.00 0.00 H new ATOM 0 HA HIS A 7 11.040-131.979-128.267 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.803-130.909-130.028 1.00 0.00 H new ATOM 0 HB3 HIS A 7 10.293-131.565-130.678 1.00 0.00 H new ATOM 0 HD2 HIS A 7 10.325-134.245-130.954 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.838-135.141-128.713 1.00 0.00 H new ATOM 0 HE2 HIS A 7 8.651-136.104-130.224 1.00 0.00 H new ATOM 172 N CYS A 11 10.731-124.135-129.570 1.00 0.00 N ATOM 173 CA CYS A 11 11.031-123.755-128.187 1.00 0.00 C ATOM 174 C CYS A 11 9.758-123.420-127.420 1.00 0.00 C ATOM 175 O CYS A 11 9.657-123.702-126.229 1.00 0.00 O ATOM 176 CB CYS A 11 11.982-122.552-128.171 1.00 0.00 C ATOM 177 SG CYS A 11 13.247-122.604-126.858 1.00 0.00 S ATOM 0 HA CYS A 11 11.509-124.603-127.697 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.482-122.488-129.137 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.394-121.642-128.055 1.00 0.00 H new ATOM 0 HG CYS A 11 13.798-123.781-126.833 1.00 0.00 H new ATOM 182 N SER A 12 8.788-122.822-128.111 1.00 0.00 N ATOM 183 CA SER A 12 7.515-122.454-127.489 1.00 0.00 C ATOM 184 C SER A 12 6.922-123.631-126.706 1.00 0.00 C ATOM 185 O SER A 12 6.565-123.487-125.541 1.00 0.00 O ATOM 186 CB SER A 12 6.519-121.975-128.553 1.00 0.00 C ATOM 187 OG SER A 12 6.361-122.939-129.580 1.00 0.00 O ATOM 0 H SER A 12 8.858-122.582-129.100 1.00 0.00 H new ATOM 0 HA SER A 12 7.707-121.640-126.790 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.554-121.775-128.087 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.866-121.036-128.983 1.00 0.00 H new ATOM 0 HG SER A 12 5.720-122.608-130.243 1.00 0.00 H new ATOM 193 N GLU A 13 6.792-124.781-127.372 1.00 0.00 N ATOM 194 CA GLU A 13 6.212-125.979-126.761 1.00 0.00 C ATOM 195 C GLU A 13 6.852-126.299-125.415 1.00 0.00 C ATOM 196 O GLU A 13 6.154-126.427-124.410 1.00 0.00 O ATOM 197 CB GLU A 13 6.334-127.180-127.706 1.00 0.00 C ATOM 198 CG GLU A 13 5.259-128.239-127.500 1.00 0.00 C ATOM 199 CD GLU A 13 5.393-129.404-128.463 1.00 0.00 C ATOM 200 OE1 GLU A 13 4.788-129.345-129.554 1.00 0.00 O ATOM 201 OE2 GLU A 13 6.103-130.375-128.126 1.00 0.00 O ATOM 0 H GLU A 13 7.083-124.908-128.341 1.00 0.00 H new ATOM 0 HA GLU A 13 5.157-125.772-126.583 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.288-126.826-128.736 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.313-127.639-127.570 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.312-128.611-126.477 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.277-127.783-127.623 1.00 0.00 H new ATOM 208 N ILE A 14 8.175-126.413-125.392 1.00 0.00 N ATOM 209 CA ILE A 14 8.884-126.708-124.144 1.00 0.00 C ATOM 210 C ILE A 14 8.853-125.487-123.218 1.00 0.00 C ATOM 211 O ILE A 14 8.766-125.616-121.997 1.00 0.00 O ATOM 212 CB ILE A 14 10.346-127.162-124.400 1.00 0.00 C ATOM 213 CG1 ILE A 14 10.957-127.749-123.118 1.00 0.00 C ATOM 214 CG2 ILE A 14 11.203-126.017-124.934 1.00 0.00 C ATOM 215 CD1 ILE A 14 12.039-128.776-123.374 1.00 0.00 C ATOM 0 H ILE A 14 8.776-126.308-126.210 1.00 0.00 H new ATOM 0 HA ILE A 14 8.369-127.537-123.659 1.00 0.00 H new ATOM 0 HB ILE A 14 10.326-127.939-125.164 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.373-126.938-122.520 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.165-128.208-122.526 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.220-126.371-125.102 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.785-125.657-125.874 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.217-125.204-124.208 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.423-129.145-122.423 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.624-129.607-123.945 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.850-128.317-123.939 1.00 0.00 H new ATOM 227 N LEU A 15 8.902-124.306-123.827 1.00 0.00 N ATOM 228 CA LEU A 15 8.850-123.043-123.102 1.00 0.00 C ATOM 229 C LEU A 15 7.504-122.898-122.390 1.00 0.00 C ATOM 230 O LEU A 15 7.437-122.452-121.244 1.00 0.00 O ATOM 231 CB LEU A 15 9.052-121.907-124.087 1.00 0.00 C ATOM 232 CG LEU A 15 8.864-120.501-123.533 1.00 0.00 C ATOM 233 CD1 LEU A 15 9.544-120.331-122.175 1.00 0.00 C ATOM 234 CD2 LEU A 15 9.413-119.507-124.530 1.00 0.00 C ATOM 0 H LEU A 15 8.979-124.199-124.838 1.00 0.00 H new ATOM 0 HA LEU A 15 9.637-123.017-122.348 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.059-121.983-124.497 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.359-122.045-124.917 1.00 0.00 H new ATOM 0 HG LEU A 15 7.799-120.325-123.379 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.387-119.315-121.814 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.118-121.039-121.464 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.613-120.518-122.277 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.284-118.496-124.144 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.473-119.701-124.691 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.878-119.606-125.475 1.00 0.00 H new ATOM 246 N ASP A 16 6.441-123.336-123.069 1.00 0.00 N ATOM 247 CA ASP A 16 5.099-123.318-122.497 1.00 0.00 C ATOM 248 C ASP A 16 5.017-124.393-121.417 1.00 0.00 C ATOM 249 O ASP A 16 4.310-124.242-120.422 1.00 0.00 O ATOM 250 CB ASP A 16 4.036-123.561-123.576 1.00 0.00 C ATOM 251 CG ASP A 16 3.763-122.329-124.419 1.00 0.00 C ATOM 252 OD1 ASP A 16 3.278-121.323-123.858 1.00 0.00 O ATOM 253 OD2 ASP A 16 4.031-122.371-125.638 1.00 0.00 O ATOM 0 H ASP A 16 6.487-123.708-124.018 1.00 0.00 H new ATOM 0 HA ASP A 16 4.905-122.337-122.063 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.362-124.375-124.224 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.109-123.883-123.101 1.00 0.00 H new ATOM 258 N HIS A 17 5.793-125.467-121.618 1.00 0.00 N ATOM 259 CA HIS A 17 5.871-126.567-120.662 1.00 0.00 C ATOM 260 C HIS A 17 6.517-126.076-119.371 1.00 0.00 C ATOM 261 O HIS A 17 6.149-126.506-118.279 1.00 0.00 O ATOM 262 CB HIS A 17 6.707-127.721-121.238 1.00 0.00 C ATOM 263 CG HIS A 17 5.953-128.659-122.125 1.00 0.00 C ATOM 264 ND1 HIS A 17 5.024-128.244-123.052 1.00 0.00 N ATOM 265 CD2 HIS A 17 6.007-130.005-122.224 1.00 0.00 C ATOM 266 CE1 HIS A 17 4.533-129.296-123.682 1.00 0.00 C ATOM 267 NE2 HIS A 17 5.114-130.379-123.198 1.00 0.00 N ATOM 0 H HIS A 17 6.379-125.592-122.444 1.00 0.00 H new ATOM 0 HA HIS A 17 4.862-126.926-120.460 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.540-127.301-121.801 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.135-128.289-120.412 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.756-127.275-123.225 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.636-130.665-121.645 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.784-129.274-124.460 1.00 0.00 H new ATOM 276 N LEU A 18 7.484-125.161-119.514 1.00 0.00 N ATOM 277 CA LEU A 18 8.191-124.594-118.369 1.00 0.00 C ATOM 278 C LEU A 18 7.245-123.764-117.506 1.00 0.00 C ATOM 279 O LEU A 18 7.354-123.765-116.278 1.00 0.00 O ATOM 280 CB LEU A 18 9.368-123.731-118.844 1.00 0.00 C ATOM 281 CG LEU A 18 10.757-124.315-118.566 1.00 0.00 C ATOM 282 CD1 LEU A 18 10.930-124.596-117.080 1.00 0.00 C ATOM 283 CD2 LEU A 18 10.991-125.575-119.391 1.00 0.00 C ATOM 0 H LEU A 18 7.792-124.799-120.417 1.00 0.00 H new ATOM 0 HA LEU A 18 8.577-125.415-117.765 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.268-123.567-119.917 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.299-122.755-118.365 1.00 0.00 H new ATOM 0 HG LEU A 18 11.504-123.579-118.862 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.922-125.010-116.901 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.818-123.668-116.519 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.174-125.311-116.754 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.984-125.971-119.177 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.239-126.322-119.136 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.918-125.334-120.452 1.00 0.00 H new ATOM 295 N TYR A 19 6.312-123.061-118.153 1.00 0.00 N ATOM 296 CA TYR A 19 5.350-122.240-117.444 1.00 0.00 C ATOM 297 C TYR A 19 4.213-123.092-116.895 1.00 0.00 C ATOM 298 O TYR A 19 3.873-123.000-115.715 1.00 0.00 O ATOM 299 CB TYR A 19 4.789-121.163-118.364 1.00 0.00 C ATOM 300 CG TYR A 19 4.087-120.059-117.608 1.00 0.00 C ATOM 301 CD1 TYR A 19 4.799-118.988-117.073 1.00 0.00 C ATOM 302 CD2 TYR A 19 2.716-120.108-117.390 1.00 0.00 C ATOM 303 CE1 TYR A 19 4.158-118.004-116.348 1.00 0.00 C ATOM 304 CE2 TYR A 19 2.069-119.122-116.673 1.00 0.00 C ATOM 305 CZ TYR A 19 2.794-118.072-116.153 1.00 0.00 C ATOM 306 OH TYR A 19 2.155-117.089-115.431 1.00 0.00 O ATOM 0 H TYR A 19 6.209-123.049-119.168 1.00 0.00 H new ATOM 0 HA TYR A 19 5.864-121.763-116.610 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.600-120.735-118.953 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.091-121.618-119.066 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.866-118.927-117.227 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.145-120.933-117.789 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.723-117.182-115.934 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.001-119.173-116.520 1.00 0.00 H new ATOM 0 HH TYR A 19 1.457-116.679-115.983 1.00 0.00 H new ATOM 316 N GLU A 20 3.638-123.930-117.759 1.00 0.00 N ATOM 317 CA GLU A 20 2.544-124.819-117.357 1.00 0.00 C ATOM 318 C GLU A 20 2.950-125.613-116.116 1.00 0.00 C ATOM 319 O GLU A 20 2.147-125.831-115.209 1.00 0.00 O ATOM 320 CB GLU A 20 2.174-125.769-118.496 1.00 0.00 C ATOM 321 CG GLU A 20 1.172-125.183-119.481 1.00 0.00 C ATOM 322 CD GLU A 20 0.823-126.144-120.603 1.00 0.00 C ATOM 323 OE1 GLU A 20 -0.145-126.917-120.443 1.00 0.00 O ATOM 324 OE2 GLU A 20 1.518-126.123-121.640 1.00 0.00 O ATOM 0 H GLU A 20 3.910-124.013-118.739 1.00 0.00 H new ATOM 0 HA GLU A 20 1.670-124.212-117.122 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.080-126.046-119.035 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.761-126.685-118.074 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.262-124.908-118.947 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.581-124.267-119.907 1.00 0.00 H new ATOM 331 N PHE A 21 4.225-126.011-116.083 1.00 0.00 N ATOM 332 CA PHE A 21 4.797-126.748-114.960 1.00 0.00 C ATOM 333 C PHE A 21 4.736-125.892-113.694 1.00 0.00 C ATOM 334 O PHE A 21 4.285-126.343-112.640 1.00 0.00 O ATOM 335 CB PHE A 21 6.251-127.098-115.295 1.00 0.00 C ATOM 336 CG PHE A 21 6.911-128.058-114.347 1.00 0.00 C ATOM 337 CD1 PHE A 21 7.863-127.606-113.450 1.00 0.00 C ATOM 338 CD2 PHE A 21 6.607-129.412-114.372 1.00 0.00 C ATOM 339 CE1 PHE A 21 8.502-128.479-112.598 1.00 0.00 C ATOM 340 CE2 PHE A 21 7.240-130.292-113.514 1.00 0.00 C ATOM 341 CZ PHE A 21 8.189-129.829-112.629 1.00 0.00 C ATOM 0 H PHE A 21 4.888-125.829-116.837 1.00 0.00 H new ATOM 0 HA PHE A 21 4.231-127.663-114.785 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.284-127.522-116.298 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.834-126.177-115.319 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.108-126.555-113.418 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.869-129.782-115.068 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.246-128.112-111.906 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.991-131.343-113.537 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.688-130.516-111.961 1.00 0.00 H new ATOM 351 N LEU A 22 5.192-124.644-113.830 1.00 0.00 N ATOM 352 CA LEU A 22 5.202-123.677-112.726 1.00 0.00 C ATOM 353 C LEU A 22 3.789-123.412-112.185 1.00 0.00 C ATOM 354 O LEU A 22 3.619-123.130-110.997 1.00 0.00 O ATOM 355 CB LEU A 22 5.824-122.350-113.195 1.00 0.00 C ATOM 356 CG LEU A 22 7.345-122.235-113.031 1.00 0.00 C ATOM 357 CD1 LEU A 22 7.895-121.124-113.920 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.712-121.986-111.573 1.00 0.00 C ATOM 0 H LEU A 22 5.564-124.275-114.705 1.00 0.00 H new ATOM 0 HA LEU A 22 5.799-124.106-111.921 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.578-122.206-114.247 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.355-121.535-112.644 1.00 0.00 H new ATOM 0 HG LEU A 22 7.796-123.178-113.339 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.975-121.056-113.791 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.667-121.346-114.963 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.436-120.175-113.642 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.795-121.908-111.479 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.250-121.058-111.235 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.353-122.814-110.961 1.00 0.00 H new ATOM 370 N ASP A 23 2.784-123.489-113.065 1.00 0.00 N ATOM 371 CA ASP A 23 1.389-123.242-112.682 1.00 0.00 C ATOM 372 C ASP A 23 0.924-124.186-111.569 1.00 0.00 C ATOM 373 O ASP A 23 0.584-123.740-110.472 1.00 0.00 O ATOM 374 CB ASP A 23 0.469-123.369-113.905 1.00 0.00 C ATOM 375 CG ASP A 23 -0.870-122.682-113.705 1.00 0.00 C ATOM 376 OD1 ASP A 23 -1.815-123.350-113.235 1.00 0.00 O ATOM 377 OD2 ASP A 23 -0.971-121.477-114.017 1.00 0.00 O ATOM 0 H ASP A 23 2.911-123.721-114.050 1.00 0.00 H new ATOM 0 HA ASP A 23 1.333-122.225-112.294 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.966-122.940-114.775 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.303-124.424-114.121 1.00 0.00 H new ATOM 382 N LYS A 24 0.908-125.487-111.859 1.00 0.00 N ATOM 383 CA LYS A 24 0.481-126.491-110.884 1.00 0.00 C ATOM 384 C LYS A 24 1.550-126.733-109.818 1.00 0.00 C ATOM 385 O LYS A 24 1.264-127.293-108.758 1.00 0.00 O ATOM 386 CB LYS A 24 0.180-127.812-111.599 1.00 0.00 C ATOM 387 CG LYS A 24 1.414-128.477-112.208 1.00 0.00 C ATOM 388 CD LYS A 24 1.413-128.373-113.727 1.00 0.00 C ATOM 389 CE LYS A 24 0.724-129.567-114.374 1.00 0.00 C ATOM 390 NZ LYS A 24 0.713-129.466-115.862 1.00 0.00 N ATOM 0 H LYS A 24 1.186-125.871-112.762 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.416-126.114-110.392 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.281-128.501-110.891 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.550-127.630-112.388 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.314-128.008-111.811 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.445-129.526-111.914 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.909-127.455-114.028 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.439-128.306-114.088 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.232-130.484-114.076 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.300-129.637-114.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.235-130.298-116.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.206-128.604-116.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.691-129.425-116.214 1.00 0.00 H new ATOM 404 N GLU A 25 2.782-126.316-110.116 1.00 0.00 N ATOM 405 CA GLU A 25 3.911-126.488-109.208 1.00 0.00 C ATOM 406 C GLU A 25 4.025-127.939-108.729 1.00 0.00 C ATOM 407 O GLU A 25 3.958-128.219-107.529 1.00 0.00 O ATOM 408 CB GLU A 25 3.796-125.523-108.020 1.00 0.00 C ATOM 409 CG GLU A 25 5.118-125.261-107.311 1.00 0.00 C ATOM 410 CD GLU A 25 4.978-124.287-106.156 1.00 0.00 C ATOM 411 OE1 GLU A 25 4.725-124.743-105.021 1.00 0.00 O ATOM 412 OE2 GLU A 25 5.124-123.067-106.386 1.00 0.00 O ATOM 0 H GLU A 25 3.022-125.851-110.992 1.00 0.00 H new ATOM 0 HA GLU A 25 4.824-126.252-109.755 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.389-124.575-108.372 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.083-125.929-107.302 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.520-126.204-106.940 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.839-124.868-108.028 1.00 0.00 H new ATOM 419 N MET A 26 4.204-128.854-109.682 1.00 0.00 N ATOM 420 CA MET A 26 4.337-130.279-109.378 1.00 0.00 C ATOM 421 C MET A 26 5.778-130.606-108.972 1.00 0.00 C ATOM 422 O MET A 26 6.667-129.763-109.107 1.00 0.00 O ATOM 423 CB MET A 26 3.921-131.118-110.598 1.00 0.00 C ATOM 424 CG MET A 26 2.552-131.771-110.459 1.00 0.00 C ATOM 425 SD MET A 26 2.077-132.719-111.919 1.00 0.00 S ATOM 426 CE MET A 26 0.468-133.328-111.421 1.00 0.00 C ATOM 0 H MET A 26 4.260-128.632-110.676 1.00 0.00 H new ATOM 0 HA MET A 26 3.680-130.523-108.543 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.921-130.481-111.482 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.668-131.894-110.765 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.555-132.429-109.590 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.804-131.000-110.273 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.044-133.934-112.222 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.571-133.936-110.522 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.192-132.485-111.215 1.00 0.00 H new ATOM 436 N PRO A 27 6.033-131.834-108.460 1.00 0.00 N ATOM 437 CA PRO A 27 7.378-132.254-108.033 1.00 0.00 C ATOM 438 C PRO A 27 8.457-131.951-109.077 1.00 0.00 C ATOM 439 O PRO A 27 8.152-131.678-110.237 1.00 0.00 O ATOM 440 CB PRO A 27 7.227-133.765-107.838 1.00 0.00 C ATOM 441 CG PRO A 27 5.793-133.954-107.487 1.00 0.00 C ATOM 442 CD PRO A 27 5.033-132.905-108.250 1.00 0.00 C ATOM 0 HA PRO A 27 7.704-131.721-107.140 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.489-134.310-108.745 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.881-134.130-107.046 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.454-134.954-107.758 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.637-133.844-106.414 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.656-133.292-109.196 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.172-132.545-107.687 1.00 0.00 H new ATOM 450 N ASP A 28 9.721-132.008-108.651 1.00 0.00 N ATOM 451 CA ASP A 28 10.863-131.743-109.535 1.00 0.00 C ATOM 452 C ASP A 28 11.248-132.983-110.345 1.00 0.00 C ATOM 453 O ASP A 28 12.394-133.125-110.778 1.00 0.00 O ATOM 454 CB ASP A 28 12.059-131.281-108.706 1.00 0.00 C ATOM 455 CG ASP A 28 12.968-130.334-109.468 1.00 0.00 C ATOM 456 OD1 ASP A 28 13.812-130.820-110.249 1.00 0.00 O ATOM 457 OD2 ASP A 28 12.834-129.105-109.282 1.00 0.00 O ATOM 0 H ASP A 28 9.983-132.237-107.692 1.00 0.00 H new ATOM 0 HA ASP A 28 10.571-130.960-110.235 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.701-130.787-107.803 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.633-132.151-108.387 1.00 0.00 H new ATOM 462 N SER A 29 10.284-133.869-110.548 1.00 0.00 N ATOM 463 CA SER A 29 10.497-135.101-111.304 1.00 0.00 C ATOM 464 C SER A 29 10.461-134.837-112.804 1.00 0.00 C ATOM 465 O SER A 29 11.462-135.032-113.493 1.00 0.00 O ATOM 466 CB SER A 29 9.405-136.099-110.936 1.00 0.00 C ATOM 467 OG SER A 29 9.578-136.589-109.618 1.00 0.00 O ATOM 0 H SER A 29 9.333-133.758-110.196 1.00 0.00 H new ATOM 0 HA SER A 29 11.479-135.502-111.054 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.429-135.622-111.024 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.418-136.931-111.640 1.00 0.00 H new ATOM 0 HG SER A 29 8.863-137.225-109.409 1.00 0.00 H new ATOM 473 N ASP A 30 9.313-134.369-113.305 1.00 0.00 N ATOM 474 CA ASP A 30 9.187-134.056-114.723 1.00 0.00 C ATOM 475 C ASP A 30 10.188-132.963-115.056 1.00 0.00 C ATOM 476 O ASP A 30 10.915-133.053-116.047 1.00 0.00 O ATOM 477 CB ASP A 30 7.761-133.613-115.073 1.00 0.00 C ATOM 478 CG ASP A 30 6.774-134.765-115.064 1.00 0.00 C ATOM 479 OD1 ASP A 30 6.176-135.027-113.998 1.00 0.00 O ATOM 480 OD2 ASP A 30 6.599-135.406-116.122 1.00 0.00 O ATOM 0 H ASP A 30 8.471-134.202-112.754 1.00 0.00 H new ATOM 0 HA ASP A 30 9.394-134.948-115.314 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.435-132.854-114.361 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.761-133.147-116.058 1.00 0.00 H new ATOM 485 N ALA A 31 10.214-131.929-114.203 1.00 0.00 N ATOM 486 CA ALA A 31 11.121-130.795-114.359 1.00 0.00 C ATOM 487 C ALA A 31 12.453-131.215-114.982 1.00 0.00 C ATOM 488 O ALA A 31 12.962-130.543-115.877 1.00 0.00 O ATOM 489 CB ALA A 31 11.369-130.123-113.011 1.00 0.00 C ATOM 0 H ALA A 31 9.605-131.860-113.388 1.00 0.00 H new ATOM 0 HA ALA A 31 10.642-130.086-115.035 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.047-129.280-113.144 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.423-129.767-112.602 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.814-130.841-112.323 1.00 0.00 H new ATOM 495 N VAL A 32 13.030-132.313-114.474 1.00 0.00 N ATOM 496 CA VAL A 32 14.321-132.834-114.935 1.00 0.00 C ATOM 497 C VAL A 32 14.475-132.945-116.463 1.00 0.00 C ATOM 498 O VAL A 32 15.603-133.065-116.948 1.00 0.00 O ATOM 499 CB VAL A 32 14.594-134.217-114.283 1.00 0.00 C ATOM 500 CG1 VAL A 32 14.005-135.355-115.114 1.00 0.00 C ATOM 501 CG2 VAL A 32 16.088-134.424-114.057 1.00 0.00 C ATOM 0 H VAL A 32 12.610-132.867-113.727 1.00 0.00 H new ATOM 0 HA VAL A 32 15.057-132.094-114.620 1.00 0.00 H new ATOM 0 HB VAL A 32 14.097-134.228-113.313 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.215-136.307-114.627 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.927-135.222-115.200 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.452-135.349-116.108 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.255-135.399-113.600 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.610-134.377-115.012 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.468-133.644-113.397 1.00 0.00 H new ATOM 511 N LYS A 33 13.381-132.881-117.231 1.00 0.00 N ATOM 512 CA LYS A 33 13.476-132.953-118.689 1.00 0.00 C ATOM 513 C LYS A 33 13.621-131.549-119.286 1.00 0.00 C ATOM 514 O LYS A 33 13.536-131.363-120.502 1.00 0.00 O ATOM 515 CB LYS A 33 12.242-133.660-119.272 1.00 0.00 C ATOM 516 CG LYS A 33 12.498-134.333-120.615 1.00 0.00 C ATOM 517 CD LYS A 33 11.363-135.274-120.998 1.00 0.00 C ATOM 518 CE LYS A 33 11.642-135.985-122.315 1.00 0.00 C ATOM 519 NZ LYS A 33 10.650-137.060-122.591 1.00 0.00 N ATOM 0 H LYS A 33 12.432-132.781-116.871 1.00 0.00 H new ATOM 0 HA LYS A 33 14.362-133.532-118.950 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.894-134.409-118.561 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.438-132.933-119.388 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.616-133.572-121.387 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.434-134.890-120.570 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.220-136.012-120.209 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.434-134.710-121.079 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.626-135.260-123.129 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.644-136.414-122.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.877-137.518-123.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.682-137.766-121.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.696-136.648-122.641 1.00 0.00 H new ATOM 533 N PHE A 34 13.870-130.573-118.411 1.00 0.00 N ATOM 534 CA PHE A 34 14.064-129.192-118.812 1.00 0.00 C ATOM 535 C PHE A 34 15.558-128.889-118.920 1.00 0.00 C ATOM 536 O PHE A 34 15.972-128.049-119.722 1.00 0.00 O ATOM 537 CB PHE A 34 13.393-128.251-117.808 1.00 0.00 C ATOM 538 CG PHE A 34 11.887-128.378-117.732 1.00 0.00 C ATOM 539 CD1 PHE A 34 11.149-128.924-118.780 1.00 0.00 C ATOM 540 CD2 PHE A 34 11.208-127.939-116.606 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.772-129.028-118.698 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.833-128.043-116.520 1.00 0.00 C ATOM 543 CZ PHE A 34 9.114-128.586-117.566 1.00 0.00 C ATOM 0 H PHE A 34 13.941-130.725-117.405 1.00 0.00 H new ATOM 0 HA PHE A 34 13.605-129.035-119.788 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.810-128.440-116.819 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.645-127.223-118.070 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.658-129.270-119.667 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.762-127.510-115.784 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.212-129.454-119.517 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.320-127.699-115.634 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.039-128.665-117.500 1.00 0.00 H new ATOM 553 N GLU A 35 16.366-129.594-118.115 1.00 0.00 N ATOM 554 CA GLU A 35 17.819-129.418-118.127 1.00 0.00 C ATOM 555 C GLU A 35 18.424-129.893-119.453 1.00 0.00 C ATOM 556 O GLU A 35 19.501-129.442-119.846 1.00 0.00 O ATOM 557 CB GLU A 35 18.459-130.181-116.970 1.00 0.00 C ATOM 558 CG GLU A 35 18.076-129.653-115.595 1.00 0.00 C ATOM 559 CD GLU A 35 18.728-130.430-114.467 1.00 0.00 C ATOM 560 OE1 GLU A 35 19.840-130.046-114.046 1.00 0.00 O ATOM 561 OE2 GLU A 35 18.127-131.421-114.003 1.00 0.00 O ATOM 0 H GLU A 35 16.034-130.291-117.448 1.00 0.00 H new ATOM 0 HA GLU A 35 18.024-128.353-118.014 1.00 0.00 H new ATOM 0 HB2 GLU A 35 18.173-131.231-117.038 1.00 0.00 H new ATOM 0 HB3 GLU A 35 19.543-130.139-117.075 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.362-128.604-115.521 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.993-129.697-115.482 1.00 0.00 H new ATOM 568 N HIS A 36 17.727-130.809-120.135 1.00 0.00 N ATOM 569 CA HIS A 36 18.200-131.349-121.414 1.00 0.00 C ATOM 570 C HIS A 36 18.141-130.304-122.537 1.00 0.00 C ATOM 571 O HIS A 36 18.829-130.444-123.550 1.00 0.00 O ATOM 572 CB HIS A 36 17.375-132.581-121.809 1.00 0.00 C ATOM 573 CG HIS A 36 17.669-133.793-120.978 1.00 0.00 C ATOM 574 ND1 HIS A 36 17.175-133.972-119.702 1.00 0.00 N ATOM 575 CD2 HIS A 36 18.411-134.895-121.248 1.00 0.00 C ATOM 576 CE1 HIS A 36 17.601-135.127-119.224 1.00 0.00 C ATOM 577 NE2 HIS A 36 18.351-135.707-120.143 1.00 0.00 N ATOM 0 H HIS A 36 16.834-131.191-119.823 1.00 0.00 H new ATOM 0 HA HIS A 36 19.243-131.635-121.278 1.00 0.00 H new ATOM 0 HB2 HIS A 36 16.315-132.341-121.723 1.00 0.00 H new ATOM 0 HB3 HIS A 36 17.565-132.814-122.857 1.00 0.00 H new ATOM 0 HD2 HIS A 36 18.949-135.096-122.162 1.00 0.00 H new ATOM 0 HE1 HIS A 36 17.374-135.529-118.247 1.00 0.00 H new ATOM 0 HE2 HIS A 36 18.811-136.612-120.047 1.00 0.00 H new ATOM 586 N HIS A 37 17.319-129.262-122.361 1.00 0.00 N ATOM 587 CA HIS A 37 17.185-128.212-123.376 1.00 0.00 C ATOM 588 C HIS A 37 18.269-127.132-123.242 1.00 0.00 C ATOM 589 O HIS A 37 18.327-126.208-124.055 1.00 0.00 O ATOM 590 CB HIS A 37 15.792-127.570-123.321 1.00 0.00 C ATOM 591 CG HIS A 37 15.383-126.923-124.613 1.00 0.00 C ATOM 592 ND1 HIS A 37 14.734-127.600-125.625 1.00 0.00 N ATOM 593 CD2 HIS A 37 15.555-125.658-125.065 1.00 0.00 C ATOM 594 CE1 HIS A 37 14.528-126.780-126.641 1.00 0.00 C ATOM 595 NE2 HIS A 37 15.018-125.594-126.328 1.00 0.00 N ATOM 0 H HIS A 37 16.741-129.125-121.532 1.00 0.00 H new ATOM 0 HA HIS A 37 17.316-128.694-124.345 1.00 0.00 H new ATOM 0 HB2 HIS A 37 15.059-128.332-123.057 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.775-126.823-122.528 1.00 0.00 H new ATOM 0 HD1 HIS A 37 14.456-128.581-125.594 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.028-124.848-124.530 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.041-127.036-127.570 1.00 0.00 H new ATOM 603 N PHE A 38 19.146-127.257-122.237 1.00 0.00 N ATOM 604 CA PHE A 38 20.241-126.301-122.030 1.00 0.00 C ATOM 605 C PHE A 38 21.454-126.686-122.883 1.00 0.00 C ATOM 606 O PHE A 38 22.462-125.976-122.922 1.00 0.00 O ATOM 607 CB PHE A 38 20.654-126.317-120.562 1.00 0.00 C ATOM 608 CG PHE A 38 20.268-125.079-119.792 1.00 0.00 C ATOM 609 CD1 PHE A 38 21.009-123.911-119.901 1.00 0.00 C ATOM 610 CD2 PHE A 38 19.167-125.087-118.950 1.00 0.00 C ATOM 611 CE1 PHE A 38 20.657-122.783-119.189 1.00 0.00 C ATOM 612 CE2 PHE A 38 18.815-123.963-118.238 1.00 0.00 C ATOM 613 CZ PHE A 38 19.559-122.813-118.358 1.00 0.00 C ATOM 0 H PHE A 38 19.118-128.013-121.553 1.00 0.00 H new ATOM 0 HA PHE A 38 19.896-125.308-122.318 1.00 0.00 H new ATOM 0 HB2 PHE A 38 20.204-127.185-120.080 1.00 0.00 H new ATOM 0 HB3 PHE A 38 21.735-126.445-120.503 1.00 0.00 H new ATOM 0 HD1 PHE A 38 21.871-123.885-120.551 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.578-125.987-118.851 1.00 0.00 H new ATOM 0 HE1 PHE A 38 21.241-121.879-119.283 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.955-123.984-117.585 1.00 0.00 H new ATOM 0 HZ PHE A 38 19.282-121.931-117.799 1.00 0.00 H new ATOM 623 N GLU A 39 21.324-127.816-123.565 1.00 0.00 N ATOM 624 CA GLU A 39 22.367-128.339-124.437 1.00 0.00 C ATOM 625 C GLU A 39 22.377-127.599-125.776 1.00 0.00 C ATOM 626 O GLU A 39 23.312-126.853-126.074 1.00 0.00 O ATOM 627 CB GLU A 39 22.168-129.838-124.657 1.00 0.00 C ATOM 628 CG GLU A 39 22.632-130.698-123.488 1.00 0.00 C ATOM 629 CD GLU A 39 24.141-130.849-123.430 1.00 0.00 C ATOM 630 OE1 GLU A 39 24.793-130.036-122.742 1.00 0.00 O ATOM 631 OE2 GLU A 39 24.670-131.780-124.073 1.00 0.00 O ATOM 0 H GLU A 39 20.488-128.399-123.529 1.00 0.00 H new ATOM 0 HA GLU A 39 23.331-128.180-123.954 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.111-130.032-124.841 1.00 0.00 H new ATOM 0 HB3 GLU A 39 22.709-130.139-125.554 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.280-130.256-122.556 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.176-131.685-123.565 1.00 0.00 H new ATOM 801 N GLU A 51 15.214-116.976-120.431 1.00 0.00 N ATOM 802 CA GLU A 51 15.911-116.763-119.153 1.00 0.00 C ATOM 803 C GLU A 51 15.024-117.125-117.955 1.00 0.00 C ATOM 804 O GLU A 51 15.397-117.951-117.126 1.00 0.00 O ATOM 805 CB GLU A 51 16.378-115.305-119.036 1.00 0.00 C ATOM 806 CG GLU A 51 17.547-114.962-119.949 1.00 0.00 C ATOM 807 CD GLU A 51 18.000-113.521-119.802 1.00 0.00 C ATOM 808 OE1 GLU A 51 17.471-112.655-120.530 1.00 0.00 O ATOM 809 OE2 GLU A 51 18.882-113.259-118.958 1.00 0.00 O ATOM 0 HA GLU A 51 16.779-117.423-119.140 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.542-114.645-119.268 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.664-115.106-118.003 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.383-115.626-119.728 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.260-115.145-120.985 1.00 0.00 H new ATOM 816 N GLN A 52 13.853-116.492-117.874 1.00 0.00 N ATOM 817 CA GLN A 52 12.912-116.740-116.777 1.00 0.00 C ATOM 818 C GLN A 52 12.585-118.229-116.618 1.00 0.00 C ATOM 819 O GLN A 52 12.836-118.822-115.567 1.00 0.00 O ATOM 820 CB GLN A 52 11.621-115.962-116.982 1.00 0.00 C ATOM 821 CG GLN A 52 10.717-115.967-115.758 1.00 0.00 C ATOM 822 CD GLN A 52 11.134-114.943-114.713 1.00 0.00 C ATOM 823 OE1 GLN A 52 10.529-113.878-114.595 1.00 0.00 O ATOM 824 NE2 GLN A 52 12.172-115.262-113.943 1.00 0.00 N ATOM 0 H GLN A 52 13.532-115.803-118.554 1.00 0.00 H new ATOM 0 HA GLN A 52 13.404-116.400-115.866 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.863-114.932-117.243 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.079-116.386-117.827 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.692-115.766-116.068 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.725-116.961-115.310 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.647-116.155-114.072 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.492-114.613-113.224 1.00 0.00 H new ATOM 833 N ALA A 53 11.994-118.806-117.660 1.00 0.00 N ATOM 834 CA ALA A 53 11.582-120.213-117.656 1.00 0.00 C ATOM 835 C ALA A 53 12.738-121.200-117.447 1.00 0.00 C ATOM 836 O ALA A 53 12.547-122.243-116.819 1.00 0.00 O ATOM 837 CB ALA A 53 10.847-120.538-118.952 1.00 0.00 C ATOM 0 H ALA A 53 11.786-118.316-118.530 1.00 0.00 H new ATOM 0 HA ALA A 53 10.921-120.337-116.798 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.543-121.585-118.945 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.965-119.904-119.039 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.508-120.358-119.800 1.00 0.00 H new ATOM 843 N VAL A 54 13.923-120.904-117.989 1.00 0.00 N ATOM 844 CA VAL A 54 15.061-121.815-117.864 1.00 0.00 C ATOM 845 C VAL A 54 15.863-121.612-116.576 1.00 0.00 C ATOM 846 O VAL A 54 16.416-122.571-116.039 1.00 0.00 O ATOM 847 CB VAL A 54 16.004-121.716-119.088 1.00 0.00 C ATOM 848 CG1 VAL A 54 15.289-122.188-120.350 1.00 0.00 C ATOM 849 CG2 VAL A 54 16.558-120.303-119.264 1.00 0.00 C ATOM 0 H VAL A 54 14.117-120.050-118.513 1.00 0.00 H new ATOM 0 HA VAL A 54 14.628-122.814-117.822 1.00 0.00 H new ATOM 0 HB VAL A 54 16.855-122.372-118.907 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.965-122.112-121.201 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.977-123.225-120.225 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.412-121.565-120.526 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.215-120.275-120.133 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.734-119.605-119.410 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.121-120.020-118.375 1.00 0.00 H new ATOM 859 N LYS A 55 15.930-120.381-116.074 1.00 0.00 N ATOM 860 CA LYS A 55 16.670-120.106-114.841 1.00 0.00 C ATOM 861 C LYS A 55 16.000-120.798-113.648 1.00 0.00 C ATOM 862 O LYS A 55 16.674-121.314-112.756 1.00 0.00 O ATOM 863 CB LYS A 55 16.763-118.594-114.594 1.00 0.00 C ATOM 864 CG LYS A 55 17.881-118.193-113.641 1.00 0.00 C ATOM 865 CD LYS A 55 19.232-118.164-114.342 1.00 0.00 C ATOM 866 CE LYS A 55 20.355-117.801-113.382 1.00 0.00 C ATOM 867 NZ LYS A 55 21.682-117.767-114.059 1.00 0.00 N ATOM 0 H LYS A 55 15.487-119.565-116.495 1.00 0.00 H new ATOM 0 HA LYS A 55 17.679-120.502-114.952 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.913-118.088-115.548 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.813-118.242-114.193 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.667-117.210-113.221 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.918-118.894-112.807 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.433-119.139-114.786 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.203-117.442-115.158 1.00 0.00 H new ATOM 0 HE2 LYS A 55 20.150-116.827-112.937 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.383-118.524-112.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.418-117.516-113.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.890-118.703-114.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.665-117.059-114.820 1.00 0.00 H new ATOM 881 N LYS A 56 14.664-120.798-113.651 1.00 0.00 N ATOM 882 CA LYS A 56 13.864-121.415-112.592 1.00 0.00 C ATOM 883 C LYS A 56 14.187-122.900-112.408 1.00 0.00 C ATOM 884 O LYS A 56 14.418-123.364-111.291 1.00 0.00 O ATOM 885 CB LYS A 56 12.381-121.269-112.930 1.00 0.00 C ATOM 886 CG LYS A 56 11.718-120.018-112.365 1.00 0.00 C ATOM 887 CD LYS A 56 12.126-119.742-110.923 1.00 0.00 C ATOM 888 CE LYS A 56 11.184-118.754-110.246 1.00 0.00 C ATOM 889 NZ LYS A 56 9.916-119.400-109.807 1.00 0.00 N ATOM 0 H LYS A 56 14.107-120.369-114.390 1.00 0.00 H new ATOM 0 HA LYS A 56 14.105-120.903-111.660 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.268-121.265-114.014 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.850-122.145-112.557 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.981-119.160-112.984 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.635-120.129-112.418 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.135-120.677-110.363 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.142-119.348-110.902 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.682-118.311-109.384 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.956-117.941-110.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.305-118.692-109.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.426-119.800-110.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.130-120.160-109.129 1.00 0.00 H new ATOM 903 N LEU A 57 14.185-123.631-113.520 1.00 0.00 N ATOM 904 CA LEU A 57 14.463-125.068-113.510 1.00 0.00 C ATOM 905 C LEU A 57 15.827-125.367-112.883 1.00 0.00 C ATOM 906 O LEU A 57 15.965-126.304-112.094 1.00 0.00 O ATOM 907 CB LEU A 57 14.370-125.629-114.934 1.00 0.00 C ATOM 908 CG LEU A 57 15.634-125.496-115.786 1.00 0.00 C ATOM 909 CD1 LEU A 57 16.525-126.718-115.627 1.00 0.00 C ATOM 910 CD2 LEU A 57 15.285-125.272-117.254 1.00 0.00 C ATOM 0 H LEU A 57 13.993-123.250-114.446 1.00 0.00 H new ATOM 0 HA LEU A 57 13.712-125.561-112.893 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.106-126.685-114.872 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.552-125.126-115.450 1.00 0.00 H new ATOM 0 HG LEU A 57 16.184-124.624-115.433 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.417-126.600-116.242 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.816-126.823-114.582 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.981-127.608-115.943 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.202-125.181-117.836 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.703-126.117-117.623 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.700-124.358-117.353 1.00 0.00 H new ATOM 922 N VAL A 58 16.826-124.559-113.236 1.00 0.00 N ATOM 923 CA VAL A 58 18.181-124.727-112.708 1.00 0.00 C ATOM 924 C VAL A 58 18.249-124.339-111.230 1.00 0.00 C ATOM 925 O VAL A 58 18.901-125.016-110.434 1.00 0.00 O ATOM 926 CB VAL A 58 19.214-123.901-113.505 1.00 0.00 C ATOM 927 CG1 VAL A 58 20.616-124.060-112.922 1.00 0.00 C ATOM 928 CG2 VAL A 58 19.198-124.292-114.978 1.00 0.00 C ATOM 0 H VAL A 58 16.723-123.780-113.886 1.00 0.00 H new ATOM 0 HA VAL A 58 18.429-125.783-112.813 1.00 0.00 H new ATOM 0 HB VAL A 58 18.934-122.851-113.425 1.00 0.00 H new ATOM 0 HG11 VAL A 58 21.321-123.467-113.504 1.00 0.00 H new ATOM 0 HG12 VAL A 58 20.621-123.717-111.887 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.908-125.110-112.958 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.933-123.698-115.520 1.00 0.00 H new ATOM 0 HG22 VAL A 58 19.443-125.350-115.076 1.00 0.00 H new ATOM 0 HG23 VAL A 58 18.207-124.109-115.392 1.00 0.00 H new ATOM 938 N LYS A 59 17.566-123.249-110.871 1.00 0.00 N ATOM 939 CA LYS A 59 17.538-122.774-109.489 1.00 0.00 C ATOM 940 C LYS A 59 16.867-123.803-108.575 1.00 0.00 C ATOM 941 O LYS A 59 17.266-123.973-107.422 1.00 0.00 O ATOM 942 CB LYS A 59 16.803-121.431-109.399 1.00 0.00 C ATOM 943 CG LYS A 59 17.661-120.232-109.786 1.00 0.00 C ATOM 944 CD LYS A 59 17.413-119.041-108.871 1.00 0.00 C ATOM 945 CE LYS A 59 18.252-117.836-109.272 1.00 0.00 C ATOM 946 NZ LYS A 59 18.014-116.668-108.380 1.00 0.00 N ATOM 0 H LYS A 59 17.025-122.679-111.521 1.00 0.00 H new ATOM 0 HA LYS A 59 18.567-122.635-109.157 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.927-121.463-110.047 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.441-121.293-108.380 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.714-120.510-109.744 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.447-119.949-110.817 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.357-118.774-108.900 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.644-119.319-107.842 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.308-118.104-109.244 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.021-117.559-110.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.605-115.870-108.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.012-116.395-108.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.259-116.923-107.402 1.00 0.00 H new ATOM 960 N ARG A 60 15.851-124.489-109.106 1.00 0.00 N ATOM 961 CA ARG A 60 15.125-125.505-108.355 1.00 0.00 C ATOM 962 C ARG A 60 15.990-126.752-108.152 1.00 0.00 C ATOM 963 O ARG A 60 16.946-126.730-107.375 1.00 0.00 O ATOM 964 CB ARG A 60 13.829-125.863-109.082 1.00 0.00 C ATOM 965 CG ARG A 60 12.752-124.811-108.949 1.00 0.00 C ATOM 966 CD ARG A 60 11.552-125.112-109.836 1.00 0.00 C ATOM 967 NE ARG A 60 10.404-124.258-109.520 1.00 0.00 N ATOM 968 CZ ARG A 60 9.571-124.461-108.494 1.00 0.00 C ATOM 969 NH1 ARG A 60 9.748-125.490-107.667 1.00 0.00 N ATOM 970 NH2 ARG A 60 8.556-123.628-108.292 1.00 0.00 N ATOM 0 H ARG A 60 15.515-124.354-110.059 1.00 0.00 H new ATOM 0 HA ARG A 60 14.879-125.103-107.372 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.046-126.018-110.139 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.452-126.808-108.692 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.429-124.751-107.910 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.162-123.836-109.212 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.830-124.973-110.881 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.268-126.158-109.718 1.00 0.00 H new ATOM 0 HE ARG A 60 10.229-123.455-110.123 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.526-126.134-107.813 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.106-125.634-106.888 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.414-122.836-108.919 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.919-123.780-107.510 1.00 0.00 H new ATOM 1101 N LEU A 71 6.984-113.229-103.896 1.00 0.00 N ATOM 1102 CA LEU A 71 7.582-112.713-105.128 1.00 0.00 C ATOM 1103 C LEU A 71 7.733-113.821-106.166 1.00 0.00 C ATOM 1104 O LEU A 71 7.510-113.595-107.354 1.00 0.00 O ATOM 1105 CB LEU A 71 8.927-112.053-104.851 1.00 0.00 C ATOM 1106 CG LEU A 71 9.429-111.113-105.950 1.00 0.00 C ATOM 1107 CD1 LEU A 71 9.991-111.897-107.129 1.00 0.00 C ATOM 1108 CD2 LEU A 71 8.301-110.215-106.409 1.00 0.00 C ATOM 0 HA LEU A 71 6.910-111.956-105.531 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.853-111.491-103.920 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.672-112.834-104.694 1.00 0.00 H new ATOM 0 HG LEU A 71 10.233-110.502-105.540 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.340-111.203-107.894 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.824-112.514-106.792 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.212-112.535-107.546 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.663-109.548-107.191 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.487-110.825-106.800 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.940-109.625-105.567 1.00 0.00 H new ATOM 1120 N ARG A 72 8.073-115.023-105.700 1.00 0.00 N ATOM 1121 CA ARG A 72 8.210-116.180-106.587 1.00 0.00 C ATOM 1122 C ARG A 72 6.985-116.247-107.492 1.00 0.00 C ATOM 1123 O ARG A 72 7.092-116.286-108.718 1.00 0.00 O ATOM 1124 CB ARG A 72 8.340-117.482-105.788 1.00 0.00 C ATOM 1125 CG ARG A 72 9.439-117.449-104.741 1.00 0.00 C ATOM 1126 CD ARG A 72 10.818-117.675-105.353 1.00 0.00 C ATOM 1127 NE ARG A 72 10.943-118.998-105.970 1.00 0.00 N ATOM 1128 CZ ARG A 72 11.976-119.376-106.729 1.00 0.00 C ATOM 1129 NH1 ARG A 72 12.987-118.542-106.964 1.00 0.00 N ATOM 1130 NH2 ARG A 72 12.000-120.595-107.254 1.00 0.00 N ATOM 0 H ARG A 72 8.258-115.221-104.717 1.00 0.00 H new ATOM 0 HA ARG A 72 9.116-116.065-107.182 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.390-117.693-105.298 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.532-118.304-106.478 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.423-116.487-104.229 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.246-118.214-103.989 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.010-116.907-106.103 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.579-117.564-104.580 1.00 0.00 H new ATOM 0 HE ARG A 72 10.195-119.673-105.810 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.978-117.604-106.563 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.770-118.841-107.545 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.231-121.241-107.078 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.788-120.885-107.834 1.00 0.00 H new ATOM 1144 N ALA A 73 5.819-116.267-106.847 1.00 0.00 N ATOM 1145 CA ALA A 73 4.539-116.332-107.533 1.00 0.00 C ATOM 1146 C ALA A 73 4.376-115.189-108.532 1.00 0.00 C ATOM 1147 O ALA A 73 3.662-115.323-109.528 1.00 0.00 O ATOM 1148 CB ALA A 73 3.398-116.316-106.526 1.00 0.00 C ATOM 0 H ALA A 73 5.741-116.238-105.830 1.00 0.00 H new ATOM 0 HA ALA A 73 4.511-117.268-108.091 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.446-116.365-107.054 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.488-117.174-105.860 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.442-115.397-105.941 1.00 0.00 H new ATOM 1154 N LYS A 74 5.042-114.063-108.263 1.00 0.00 N ATOM 1155 CA LYS A 74 4.972-112.895-109.143 1.00 0.00 C ATOM 1156 C LYS A 74 5.997-112.969-110.283 1.00 0.00 C ATOM 1157 O LYS A 74 5.876-112.247-111.274 1.00 0.00 O ATOM 1158 CB LYS A 74 5.170-111.611-108.343 1.00 0.00 C ATOM 1159 CG LYS A 74 3.887-111.053-107.739 1.00 0.00 C ATOM 1160 CD LYS A 74 3.286-112.002-106.708 1.00 0.00 C ATOM 1161 CE LYS A 74 2.062-111.397-106.031 1.00 0.00 C ATOM 1162 NZ LYS A 74 0.866-111.411-106.918 1.00 0.00 N ATOM 0 H LYS A 74 5.635-113.936-107.443 1.00 0.00 H new ATOM 0 HA LYS A 74 3.979-112.890-109.592 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.884-111.801-107.542 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.613-110.855-108.992 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.095-110.091-107.270 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.161-110.871-108.532 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.008-112.938-107.193 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.036-112.244-105.955 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.842-111.951-105.118 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.282-110.371-105.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.057-110.990-106.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.065-110.861-107.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.639-112.392-107.179 1.00 0.00 H new ATOM 1176 N VAL A 75 6.997-113.848-110.145 1.00 0.00 N ATOM 1177 CA VAL A 75 8.029-114.024-111.163 1.00 0.00 C ATOM 1178 C VAL A 75 7.431-114.569-112.455 1.00 0.00 C ATOM 1179 O VAL A 75 7.836-114.189-113.555 1.00 0.00 O ATOM 1180 CB VAL A 75 9.110-114.998-110.671 1.00 0.00 C ATOM 1181 CG1 VAL A 75 10.206-115.157-111.699 1.00 0.00 C ATOM 1182 CG2 VAL A 75 9.677-114.546-109.340 1.00 0.00 C ATOM 0 H VAL A 75 7.110-114.451-109.330 1.00 0.00 H new ATOM 0 HA VAL A 75 8.472-113.047-111.354 1.00 0.00 H new ATOM 0 HB VAL A 75 8.644-115.973-110.527 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.958-115.852-111.325 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.782-115.545-112.625 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.669-114.189-111.889 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.441-115.251-109.011 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.120-113.556-109.451 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.878-114.505-108.599 1.00 0.00 H new ATOM 1192 N MET A 76 6.454-115.456-112.296 1.00 0.00 N ATOM 1193 CA MET A 76 5.756-116.073-113.425 1.00 0.00 C ATOM 1194 C MET A 76 5.082-115.026-114.327 1.00 0.00 C ATOM 1195 O MET A 76 4.815-115.295-115.496 1.00 0.00 O ATOM 1196 CB MET A 76 4.706-117.061-112.900 1.00 0.00 C ATOM 1197 CG MET A 76 5.281-118.412-112.491 1.00 0.00 C ATOM 1198 SD MET A 76 4.281-119.246-111.241 1.00 0.00 S ATOM 1199 CE MET A 76 2.891-119.800-112.227 1.00 0.00 C ATOM 0 H MET A 76 6.122-115.769-111.384 1.00 0.00 H new ATOM 0 HA MET A 76 6.496-116.598-114.029 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.200-116.617-112.042 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.950-117.217-113.670 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.361-119.050-113.371 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.291-118.271-112.107 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.092-120.142-111.569 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.529-118.975-112.841 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.206-120.621-112.872 1.00 0.00 H new ATOM 1209 N GLY A 77 4.802-113.833-113.790 1.00 0.00 N ATOM 1210 CA GLY A 77 4.155-112.795-114.585 1.00 0.00 C ATOM 1211 C GLY A 77 4.957-112.371-115.811 1.00 0.00 C ATOM 1212 O GLY A 77 4.375-111.926-116.802 1.00 0.00 O ATOM 0 H GLY A 77 5.010-113.570-112.827 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.178-113.153-114.908 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.982-111.922-113.955 1.00 0.00 H new ATOM 1216 N ARG A 78 6.290-112.515-115.762 1.00 0.00 N ATOM 1217 CA ARG A 78 7.144-112.147-116.903 1.00 0.00 C ATOM 1218 C ARG A 78 6.840-113.032-118.110 1.00 0.00 C ATOM 1219 O ARG A 78 7.063-112.640-119.256 1.00 0.00 O ATOM 1220 CB ARG A 78 8.637-112.233-116.516 1.00 0.00 C ATOM 1221 CG ARG A 78 9.483-113.178-117.380 1.00 0.00 C ATOM 1222 CD ARG A 78 9.971-112.502-118.657 1.00 0.00 C ATOM 1223 NE ARG A 78 11.271-111.851-118.477 1.00 0.00 N ATOM 1224 CZ ARG A 78 11.930-111.212-119.448 1.00 0.00 C ATOM 1225 NH1 ARG A 78 11.420-111.130-120.673 1.00 0.00 N ATOM 1226 NH2 ARG A 78 13.106-110.650-119.189 1.00 0.00 N ATOM 0 H ARG A 78 6.796-112.879-114.955 1.00 0.00 H new ATOM 0 HA ARG A 78 6.926-111.115-117.177 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.068-111.233-116.570 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.709-112.555-115.477 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.340-113.526-116.804 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.894-114.058-117.638 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.045-113.243-119.453 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.237-111.762-118.977 1.00 0.00 H new ATOM 0 HE ARG A 78 11.700-111.888-117.552 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.517-111.557-120.879 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.932-110.640-121.407 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.503-110.707-118.251 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.612-110.162-119.928 1.00 0.00 H new ATOM 1240 N LEU A 79 6.274-114.200-117.839 1.00 0.00 N ATOM 1241 CA LEU A 79 5.868-115.122-118.885 1.00 0.00 C ATOM 1242 C LEU A 79 4.405-114.843-119.209 1.00 0.00 C ATOM 1243 O LEU A 79 3.970-114.938-120.357 1.00 0.00 O ATOM 1244 CB LEU A 79 6.048-116.565-118.418 1.00 0.00 C ATOM 1245 CG LEU A 79 7.502-117.023-118.261 1.00 0.00 C ATOM 1246 CD1 LEU A 79 7.850-117.211-116.792 1.00 0.00 C ATOM 1247 CD2 LEU A 79 7.774-118.294-119.052 1.00 0.00 C ATOM 0 H LEU A 79 6.085-114.532-116.893 1.00 0.00 H new ATOM 0 HA LEU A 79 6.483-114.983-119.774 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.540-116.686-117.461 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.551-117.225-119.129 1.00 0.00 H new ATOM 0 HG LEU A 79 8.143-116.241-118.668 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.886-117.536-116.702 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.719-116.267-116.263 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.194-117.965-116.356 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.814-118.590-118.918 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.121-119.091-118.696 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.582-118.113-120.109 1.00 0.00 H new ATOM 1259 N ASP A 80 3.662-114.484-118.154 1.00 0.00 N ATOM 1260 CA ASP A 80 2.254-114.165-118.239 1.00 0.00 C ATOM 1261 C ASP A 80 1.989-113.003-119.203 1.00 0.00 C ATOM 1262 O ASP A 80 0.943-112.962-119.851 1.00 0.00 O ATOM 1263 CB ASP A 80 1.723-113.813-116.842 1.00 0.00 C ATOM 1264 CG ASP A 80 0.247-114.125-116.679 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -0.079-115.260-116.270 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -0.583-113.235-116.959 1.00 0.00 O ATOM 0 H ASP A 80 4.039-114.410-117.209 1.00 0.00 H new ATOM 0 HA ASP A 80 1.734-115.041-118.627 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.291-114.364-116.093 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.889-112.753-116.652 1.00 0.00 H new ATOM 1271 N LEU A 81 2.932-112.053-119.287 1.00 0.00 N ATOM 1272 CA LEU A 81 2.769-110.896-120.169 1.00 0.00 C ATOM 1273 C LEU A 81 2.571-111.320-121.630 1.00 0.00 C ATOM 1274 O LEU A 81 1.776-110.715-122.351 1.00 0.00 O ATOM 1275 CB LEU A 81 3.961-109.929-120.026 1.00 0.00 C ATOM 1276 CG LEU A 81 5.242-110.303-120.794 1.00 0.00 C ATOM 1277 CD1 LEU A 81 5.241-109.676-122.185 1.00 0.00 C ATOM 1278 CD2 LEU A 81 6.476-109.868-120.014 1.00 0.00 C ATOM 0 H LEU A 81 3.805-112.065-118.760 1.00 0.00 H new ATOM 0 HA LEU A 81 1.865-110.370-119.861 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.641-108.941-120.356 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.209-109.846-118.968 1.00 0.00 H new ATOM 0 HG LEU A 81 5.268-111.387-120.908 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.155-109.953-122.710 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.378-110.035-122.745 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.189-108.591-122.095 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.373-110.140-120.571 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.453-108.788-119.869 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.487-110.365-119.044 1.00 0.00 H new ATOM 1290 N ILE A 82 3.295-112.358-122.060 1.00 0.00 N ATOM 1291 CA ILE A 82 3.194-112.852-123.432 1.00 0.00 C ATOM 1292 C ILE A 82 1.823-113.479-123.683 1.00 0.00 C ATOM 1293 O ILE A 82 1.225-113.281-124.741 1.00 0.00 O ATOM 1294 CB ILE A 82 4.303-113.891-123.747 1.00 0.00 C ATOM 1295 CG1 ILE A 82 5.695-113.253-123.608 1.00 0.00 C ATOM 1296 CG2 ILE A 82 4.120-114.475-125.147 1.00 0.00 C ATOM 1297 CD1 ILE A 82 6.426-113.654-122.345 1.00 0.00 C ATOM 0 H ILE A 82 3.956-112.870-121.476 1.00 0.00 H new ATOM 0 HA ILE A 82 3.325-111.995-124.092 1.00 0.00 H new ATOM 0 HB ILE A 82 4.221-114.704-123.026 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.300-113.531-124.471 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.591-112.168-123.628 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.909-115.200-125.345 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.150-114.967-125.212 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.170-113.674-125.885 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.400-113.165-122.317 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.843-113.351-121.475 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.563-114.735-122.331 1.00 0.00 H new ATOM 1309 N ARG A 83 1.340-114.243-122.700 1.00 0.00 N ATOM 1310 CA ARG A 83 0.050-114.914-122.794 1.00 0.00 C ATOM 1311 C ARG A 83 -1.096-113.945-123.109 1.00 0.00 C ATOM 1312 O ARG A 83 -2.112-114.346-123.680 1.00 0.00 O ATOM 1313 CB ARG A 83 -0.244-115.673-121.507 1.00 0.00 C ATOM 1314 CG ARG A 83 0.445-117.017-121.447 1.00 0.00 C ATOM 1315 CD ARG A 83 0.451-117.596-120.039 1.00 0.00 C ATOM 1316 NE ARG A 83 0.876-118.998-120.022 1.00 0.00 N ATOM 1317 CZ ARG A 83 0.076-120.033-120.302 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -1.200-119.838-120.626 1.00 0.00 N ATOM 1319 NH2 ARG A 83 0.558-121.271-120.258 1.00 0.00 N ATOM 0 H ARG A 83 1.832-114.411-121.823 1.00 0.00 H new ATOM 0 HA ARG A 83 0.115-115.615-123.626 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.071-115.070-120.655 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.320-115.818-121.414 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.056-117.711-122.122 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.471-116.914-121.800 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.118-117.008-119.408 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.548-117.515-119.610 1.00 0.00 H new ATOM 0 HE ARG A 83 1.847-119.198-119.781 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.578-118.891-120.663 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.800-120.635-120.837 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.535-121.429-120.011 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.049-122.063-120.471 1.00 0.00 H new ATOM 1333 N SER A 84 -0.929-112.671-122.738 1.00 0.00 N ATOM 1334 CA SER A 84 -1.952-111.653-122.988 1.00 0.00 C ATOM 1335 C SER A 84 -1.680-110.907-124.297 1.00 0.00 C ATOM 1336 O SER A 84 -2.614-110.523-125.003 1.00 0.00 O ATOM 1337 CB SER A 84 -2.013-110.661-121.821 1.00 0.00 C ATOM 1338 OG SER A 84 -0.774-109.993-121.649 1.00 0.00 O ATOM 0 H SER A 84 -0.096-112.322-122.264 1.00 0.00 H new ATOM 0 HA SER A 84 -2.914-112.158-123.077 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.801-109.930-122.003 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.274-111.190-120.904 1.00 0.00 H new ATOM 0 HG SER A 84 -0.071-110.478-122.130 1.00 0.00 H new ATOM 1344 N GLY A 85 -0.398-110.706-124.613 1.00 0.00 N ATOM 1345 CA GLY A 85 -0.024-110.010-125.834 1.00 0.00 C ATOM 1346 C GLY A 85 -0.211-108.504-125.740 1.00 0.00 C ATOM 1347 O GLY A 85 -0.628-107.867-126.706 1.00 0.00 O ATOM 0 H GLY A 85 0.388-111.015-124.042 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.019-110.227-126.065 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.620-110.394-126.662 1.00 0.00 H new