USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=9 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 19 TYR OH : rot -48:sc= 0.784 USER MOD Set 1.2: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 CYS SG : rot 61:sc= 0.209 USER MOD Set 2.2: A 37 HIS : no HE2:sc= -0.324 X(o=-0.12,f=-0.41) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 0 HIS N :NH3+ 180:sc= 0 (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= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.023 USER MOD Single : A 17 HIS : no HE2:sc= -0.993 K(o=-0.99,f=-3.2!) USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0304) 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) USER MOD Single : A 52 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.3) 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 84 SER OG : rot -13:sc= 0.406 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 0 15.725-150.145-117.665 1.00 0.00 N ATOM 22 CA HIS A 0 14.786-149.067-117.351 1.00 0.00 C ATOM 23 C HIS A 0 14.078-148.577-118.613 1.00 0.00 C ATOM 24 O HIS A 0 14.705-148.412-119.661 1.00 0.00 O ATOM 25 CB HIS A 0 15.519-147.900-116.677 1.00 0.00 C ATOM 26 CG HIS A 0 16.030-148.222-115.305 1.00 0.00 C ATOM 27 ND1 HIS A 0 17.258-148.811-115.077 1.00 0.00 N ATOM 28 CD2 HIS A 0 15.475-148.034-114.084 1.00 0.00 C ATOM 29 CE1 HIS A 0 17.433-148.971-113.777 1.00 0.00 C ATOM 30 NE2 HIS A 0 16.366-148.507-113.153 1.00 0.00 N ATOM 0 H1 HIS A 0 16.194-150.462-116.793 1.00 0.00 H new ATOM 0 H2 HIS A 0 15.209-150.942-118.090 1.00 0.00 H new ATOM 0 H3 HIS A 0 16.440-149.798-118.336 1.00 0.00 H new ATOM 0 HA HIS A 0 14.037-149.461-116.664 1.00 0.00 H new ATOM 0 HB2 HIS A 0 16.357-147.597-117.305 1.00 0.00 H new ATOM 0 HB3 HIS A 0 14.844-147.047-116.613 1.00 0.00 H new ATOM 0 HD2 HIS A 0 14.510-147.594-113.880 1.00 0.00 H new ATOM 0 HE1 HIS A 0 18.301-149.407-113.305 1.00 0.00 H new ATOM 0 HE2 HIS A 0 16.226-148.501-112.143 1.00 0.00 H new ATOM 39 N MET A 1 12.768-148.345-118.504 1.00 0.00 N ATOM 40 CA MET A 1 11.966-147.873-119.634 1.00 0.00 C ATOM 41 C MET A 1 11.615-146.394-119.472 1.00 0.00 C ATOM 42 O MET A 1 11.305-145.940-118.369 1.00 0.00 O ATOM 43 CB MET A 1 10.685-148.704-119.765 1.00 0.00 C ATOM 44 CG MET A 1 10.929-150.147-120.185 1.00 0.00 C ATOM 45 SD MET A 1 9.404-151.099-120.338 1.00 0.00 S ATOM 46 CE MET A 1 8.856-150.610-121.972 1.00 0.00 C ATOM 0 H MET A 1 12.239-148.477-117.642 1.00 0.00 H new ATOM 0 HA MET A 1 12.559-147.991-120.541 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.159-148.697-118.810 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.028-148.229-120.494 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.456-150.159-121.139 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.580-150.628-119.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.921-151.118-122.209 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.699-149.532-121.996 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.614-150.883-122.707 1.00 0.00 H new ATOM 56 N SER A 2 11.663-145.649-120.580 1.00 0.00 N ATOM 57 CA SER A 2 11.349-144.220-120.565 1.00 0.00 C ATOM 58 C SER A 2 9.921-143.971-121.052 1.00 0.00 C ATOM 59 O SER A 2 9.500-144.523-122.071 1.00 0.00 O ATOM 60 CB SER A 2 12.343-143.449-121.440 1.00 0.00 C ATOM 61 OG SER A 2 12.196-142.050-121.271 1.00 0.00 O ATOM 0 H SER A 2 11.917-146.013-121.498 1.00 0.00 H new ATOM 0 HA SER A 2 11.430-143.865-119.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.361-143.744-121.185 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.188-143.710-122.487 1.00 0.00 H new ATOM 0 HG SER A 2 12.843-141.582-121.839 1.00 0.00 H new ATOM 67 N ALA A 3 9.184-143.135-120.318 1.00 0.00 N ATOM 68 CA ALA A 3 7.802-142.807-120.670 1.00 0.00 C ATOM 69 C ALA A 3 7.689-141.377-121.198 1.00 0.00 C ATOM 70 O ALA A 3 7.134-141.148-122.274 1.00 0.00 O ATOM 71 CB ALA A 3 6.891-143.004-119.465 1.00 0.00 C ATOM 0 H ALA A 3 9.523-142.672-119.474 1.00 0.00 H new ATOM 0 HA ALA A 3 7.486-143.482-121.466 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.866-142.757-119.740 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.939-144.043-119.139 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.216-142.353-118.653 1.00 0.00 H new ATOM 77 N GLY A 4 8.220-140.418-120.434 1.00 0.00 N ATOM 78 CA GLY A 4 8.170-139.022-120.838 1.00 0.00 C ATOM 79 C GLY A 4 9.310-138.642-121.769 1.00 0.00 C ATOM 80 O GLY A 4 10.473-138.642-121.363 1.00 0.00 O ATOM 0 H GLY A 4 8.684-140.587-119.541 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.220-138.825-121.334 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.204-138.389-119.951 1.00 0.00 H new ATOM 84 N GLU A 5 8.973-138.315-123.020 1.00 0.00 N ATOM 85 CA GLU A 5 9.975-137.929-124.015 1.00 0.00 C ATOM 86 C GLU A 5 10.127-136.407-124.073 1.00 0.00 C ATOM 87 O GLU A 5 9.180-135.672-123.786 1.00 0.00 O ATOM 88 CB GLU A 5 9.588-138.470-125.397 1.00 0.00 C ATOM 89 CG GLU A 5 9.697-139.984-125.517 1.00 0.00 C ATOM 90 CD GLU A 5 9.314-140.490-126.894 1.00 0.00 C ATOM 91 OE1 GLU A 5 8.119-140.784-127.108 1.00 0.00 O ATOM 92 OE2 GLU A 5 10.210-140.593-127.758 1.00 0.00 O ATOM 0 H GLU A 5 8.014-138.310-123.367 1.00 0.00 H new ATOM 0 HA GLU A 5 10.931-138.360-123.719 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.564-138.170-125.621 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.227-138.008-126.150 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.719-140.290-125.293 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.054-140.451-124.771 1.00 0.00 H new ATOM 99 N PRO A 6 11.327-135.908-124.445 1.00 0.00 N ATOM 100 CA PRO A 6 11.590-134.465-124.536 1.00 0.00 C ATOM 101 C PRO A 6 10.942-133.829-125.766 1.00 0.00 C ATOM 102 O PRO A 6 10.907-134.431-126.841 1.00 0.00 O ATOM 103 CB PRO A 6 13.116-134.396-124.631 1.00 0.00 C ATOM 104 CG PRO A 6 13.512-135.680-125.272 1.00 0.00 C ATOM 105 CD PRO A 6 12.517-136.710-124.804 1.00 0.00 C ATOM 0 HA PRO A 6 11.175-133.917-123.690 1.00 0.00 H new ATOM 0 HB2 PRO A 6 13.438-133.541-125.225 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.570-134.288-123.646 1.00 0.00 H new ATOM 0 HG2 PRO A 6 13.499-135.592-126.358 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.526-135.961-124.987 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.291-137.434-125.587 1.00 0.00 H new ATOM 0 HD3 PRO A 6 12.894-137.272-123.950 1.00 0.00 H new ATOM 113 N HIS A 7 10.430-132.606-125.600 1.00 0.00 N ATOM 114 CA HIS A 7 9.782-131.882-126.695 1.00 0.00 C ATOM 115 C HIS A 7 10.706-130.796-127.252 1.00 0.00 C ATOM 116 O HIS A 7 10.399-129.605-127.179 1.00 0.00 O ATOM 117 CB HIS A 7 8.461-131.260-126.215 1.00 0.00 C ATOM 118 CG HIS A 7 7.377-132.253-125.955 1.00 0.00 C ATOM 119 ND1 HIS A 7 6.119-131.908-125.507 1.00 0.00 N ATOM 120 CD2 HIS A 7 7.375-133.588-126.084 1.00 0.00 C ATOM 121 CE1 HIS A 7 5.390-133.002-125.374 1.00 0.00 C ATOM 122 NE2 HIS A 7 6.131-134.038-125.719 1.00 0.00 N ATOM 0 H HIS A 7 10.452-132.097-124.716 1.00 0.00 H new ATOM 0 HA HIS A 7 9.568-132.592-127.494 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.649-130.696-125.301 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.114-130.548-126.964 1.00 0.00 H new ATOM 0 HD2 HIS A 7 8.202-134.198-126.415 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.364-133.042-125.040 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.829-135.012-125.715 1.00 0.00 H new ATOM 172 N CYS A 11 10.697-125.475-129.563 1.00 0.00 N ATOM 173 CA CYS A 11 10.989-124.770-128.310 1.00 0.00 C ATOM 174 C CYS A 11 9.717-124.330-127.605 1.00 0.00 C ATOM 175 O CYS A 11 9.548-124.569-126.413 1.00 0.00 O ATOM 176 CB CYS A 11 11.870-123.549-128.587 1.00 0.00 C ATOM 177 SG CYS A 11 12.635-122.822-127.100 1.00 0.00 S ATOM 0 HA CYS A 11 11.517-125.465-127.656 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.658-123.835-129.284 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.268-122.786-129.082 1.00 0.00 H new ATOM 0 HG CYS A 11 13.396-123.707-126.527 1.00 0.00 H new ATOM 182 N SER A 12 8.831-123.678-128.348 1.00 0.00 N ATOM 183 CA SER A 12 7.565-123.192-127.791 1.00 0.00 C ATOM 184 C SER A 12 6.939-124.232-126.853 1.00 0.00 C ATOM 185 O SER A 12 6.681-123.946-125.687 1.00 0.00 O ATOM 186 CB SER A 12 6.586-122.837-128.916 1.00 0.00 C ATOM 187 OG SER A 12 6.435-123.915-129.824 1.00 0.00 O ATOM 0 H SER A 12 8.962-123.471-129.338 1.00 0.00 H new ATOM 0 HA SER A 12 7.776-122.294-127.211 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.617-122.579-128.490 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.945-121.957-129.449 1.00 0.00 H new ATOM 0 HG SER A 12 5.804-123.662-130.530 1.00 0.00 H new ATOM 193 N GLU A 13 6.667-125.425-127.387 1.00 0.00 N ATOM 194 CA GLU A 13 6.040-126.502-126.623 1.00 0.00 C ATOM 195 C GLU A 13 6.738-126.753-125.289 1.00 0.00 C ATOM 196 O GLU A 13 6.086-126.794-124.248 1.00 0.00 O ATOM 197 CB GLU A 13 6.001-127.792-127.454 1.00 0.00 C ATOM 198 CG GLU A 13 4.811-127.880-128.402 1.00 0.00 C ATOM 199 CD GLU A 13 3.522-128.252-127.694 1.00 0.00 C ATOM 200 OE1 GLU A 13 3.251-129.463-127.550 1.00 0.00 O ATOM 201 OE2 GLU A 13 2.783-127.332-127.285 1.00 0.00 O ATOM 0 H GLU A 13 6.874-125.669-128.355 1.00 0.00 H new ATOM 0 HA GLU A 13 5.022-126.185-126.398 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.921-127.867-128.034 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.979-128.647-126.779 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.681-126.921-128.904 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.022-128.619-129.175 1.00 0.00 H new ATOM 208 N ILE A 14 8.059-126.911-125.316 1.00 0.00 N ATOM 209 CA ILE A 14 8.812-127.149-124.081 1.00 0.00 C ATOM 210 C ILE A 14 8.906-125.863-123.253 1.00 0.00 C ATOM 211 O ILE A 14 8.909-125.896-122.022 1.00 0.00 O ATOM 212 CB ILE A 14 10.225-127.724-124.361 1.00 0.00 C ATOM 213 CG1 ILE A 14 10.851-128.271-123.070 1.00 0.00 C ATOM 214 CG2 ILE A 14 11.138-126.685-125.006 1.00 0.00 C ATOM 215 CD1 ILE A 14 11.824-129.409-123.297 1.00 0.00 C ATOM 0 H ILE A 14 8.626-126.880-126.164 1.00 0.00 H new ATOM 0 HA ILE A 14 8.267-127.899-123.507 1.00 0.00 H new ATOM 0 HB ILE A 14 10.113-128.546-125.068 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.368-127.460-122.556 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.055-128.612-122.408 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.119-127.125-125.187 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.706-126.359-125.952 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.242-125.828-124.340 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.224-129.742-122.339 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.308-130.237-123.782 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.641-129.068-123.933 1.00 0.00 H new ATOM 227 N LEU A 15 8.956-124.731-123.950 1.00 0.00 N ATOM 228 CA LEU A 15 9.012-123.421-123.318 1.00 0.00 C ATOM 229 C LEU A 15 7.697-123.135-122.589 1.00 0.00 C ATOM 230 O LEU A 15 7.690-122.624-121.468 1.00 0.00 O ATOM 231 CB LEU A 15 9.269-122.370-124.382 1.00 0.00 C ATOM 232 CG LEU A 15 9.217-120.920-123.912 1.00 0.00 C ATOM 233 CD1 LEU A 15 9.926-120.737-122.572 1.00 0.00 C ATOM 234 CD2 LEU A 15 9.841-120.035-124.966 1.00 0.00 C ATOM 0 H LEU A 15 8.959-124.699-124.969 1.00 0.00 H new ATOM 0 HA LEU A 15 9.820-123.398-122.587 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.250-122.555-124.819 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.536-122.500-125.178 1.00 0.00 H new ATOM 0 HG LEU A 15 8.174-120.639-123.765 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.868-119.691-122.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.445-121.360-121.818 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.972-121.029-122.671 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.807-118.997-124.636 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.878-120.332-125.123 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.289-120.137-125.900 1.00 0.00 H new ATOM 246 N ASP A 16 6.591-123.526-123.223 1.00 0.00 N ATOM 247 CA ASP A 16 5.267-123.374-122.627 1.00 0.00 C ATOM 248 C ASP A 16 5.143-124.359-121.466 1.00 0.00 C ATOM 249 O ASP A 16 4.464-124.089-120.476 1.00 0.00 O ATOM 250 CB ASP A 16 4.166-123.624-123.667 1.00 0.00 C ATOM 251 CG ASP A 16 2.816-123.081-123.235 1.00 0.00 C ATOM 252 OD1 ASP A 16 2.540-121.893-123.507 1.00 0.00 O ATOM 253 OD2 ASP A 16 2.037-123.843-122.626 1.00 0.00 O ATOM 0 H ASP A 16 6.588-123.951-124.150 1.00 0.00 H new ATOM 0 HA ASP A 16 5.146-122.354-122.263 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.453-123.162-124.612 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.081-124.695-123.849 1.00 0.00 H new ATOM 258 N HIS A 17 5.852-125.490-121.592 1.00 0.00 N ATOM 259 CA HIS A 17 5.884-126.514-120.551 1.00 0.00 C ATOM 260 C HIS A 17 6.519-125.931-119.292 1.00 0.00 C ATOM 261 O HIS A 17 6.124-126.260-118.173 1.00 0.00 O ATOM 262 CB HIS A 17 6.705-127.729-121.016 1.00 0.00 C ATOM 263 CG HIS A 17 5.920-128.772-121.743 1.00 0.00 C ATOM 264 ND1 HIS A 17 4.960-128.479-122.686 1.00 0.00 N ATOM 265 CD2 HIS A 17 5.969-130.120-121.666 1.00 0.00 C ATOM 266 CE1 HIS A 17 4.447-129.603-123.154 1.00 0.00 C ATOM 267 NE2 HIS A 17 5.043-130.614-122.551 1.00 0.00 N ATOM 0 H HIS A 17 6.413-125.715-122.413 1.00 0.00 H new ATOM 0 HA HIS A 17 4.864-126.836-120.342 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.509-127.381-121.665 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.174-128.188-120.146 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.687-127.540-122.978 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.617-130.701-121.027 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.672-129.681-123.902 1.00 0.00 H new ATOM 276 N LEU A 18 7.509-125.052-119.495 1.00 0.00 N ATOM 277 CA LEU A 18 8.212-124.399-118.395 1.00 0.00 C ATOM 278 C LEU A 18 7.262-123.503-117.602 1.00 0.00 C ATOM 279 O LEU A 18 7.352-123.429-116.374 1.00 0.00 O ATOM 280 CB LEU A 18 9.397-123.585-118.937 1.00 0.00 C ATOM 281 CG LEU A 18 10.780-124.156-118.612 1.00 0.00 C ATOM 282 CD1 LEU A 18 10.957-124.301-117.109 1.00 0.00 C ATOM 283 CD2 LEU A 18 10.997-125.489-119.319 1.00 0.00 C ATOM 0 H LEU A 18 7.839-124.778-120.420 1.00 0.00 H new ATOM 0 HA LEU A 18 8.593-125.166-117.721 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.299-123.506-120.020 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.336-122.573-118.537 1.00 0.00 H new ATOM 0 HG LEU A 18 11.533-123.458-118.977 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.946-124.708-116.897 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.857-123.325-116.635 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.195-124.974-116.716 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.986-125.875-119.073 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.239-126.201-118.994 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.922-125.346-120.397 1.00 0.00 H new ATOM 295 N TYR A 19 6.342-122.835-118.305 1.00 0.00 N ATOM 296 CA TYR A 19 5.374-121.966-117.659 1.00 0.00 C ATOM 297 C TYR A 19 4.231-122.784-117.069 1.00 0.00 C ATOM 298 O TYR A 19 3.880-122.625-115.900 1.00 0.00 O ATOM 299 CB TYR A 19 4.820-120.947-118.644 1.00 0.00 C ATOM 300 CG TYR A 19 4.049-119.839-117.956 1.00 0.00 C ATOM 301 CD1 TYR A 19 2.659-119.854-117.934 1.00 0.00 C ATOM 302 CD2 TYR A 19 4.705-118.801-117.294 1.00 0.00 C ATOM 303 CE1 TYR A 19 1.943-118.874-117.277 1.00 0.00 C ATOM 304 CE2 TYR A 19 3.991-117.817-116.640 1.00 0.00 C ATOM 305 CZ TYR A 19 2.613-117.858-116.631 1.00 0.00 C ATOM 306 OH TYR A 19 1.903-116.881-115.972 1.00 0.00 O ATOM 0 H TYR A 19 6.253-122.884-119.320 1.00 0.00 H new ATOM 0 HA TYR A 19 5.884-121.435-116.855 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.641-120.514-119.215 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.168-121.452-119.356 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.130-120.647-118.441 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.784-118.767-117.293 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.863-118.903-117.269 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.511-117.016-116.136 1.00 0.00 H new ATOM 0 HH TYR A 19 1.188-116.547-116.554 1.00 0.00 H new ATOM 316 N GLU A 20 3.662-123.669-117.891 1.00 0.00 N ATOM 317 CA GLU A 20 2.562-124.539-117.455 1.00 0.00 C ATOM 318 C GLU A 20 2.933-125.240-116.149 1.00 0.00 C ATOM 319 O GLU A 20 2.094-125.426-115.267 1.00 0.00 O ATOM 320 CB GLU A 20 2.234-125.571-118.533 1.00 0.00 C ATOM 321 CG GLU A 20 1.331-125.043-119.640 1.00 0.00 C ATOM 322 CD GLU A 20 -0.131-124.994-119.235 1.00 0.00 C ATOM 323 OE1 GLU A 20 -0.836-126.007-119.431 1.00 0.00 O ATOM 324 OE2 GLU A 20 -0.571-123.944-118.722 1.00 0.00 O ATOM 0 H GLU A 20 3.943-123.804-118.862 1.00 0.00 H new ATOM 0 HA GLU A 20 1.679-123.923-117.287 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.164-125.927-118.976 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.754-126.430-118.065 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.658-124.043-119.923 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.438-125.675-120.522 1.00 0.00 H new ATOM 331 N PHE A 21 4.215-125.592-116.030 1.00 0.00 N ATOM 332 CA PHE A 21 4.746-126.237-114.832 1.00 0.00 C ATOM 333 C PHE A 21 4.532-125.327-113.619 1.00 0.00 C ATOM 334 O PHE A 21 4.081-125.770-112.562 1.00 0.00 O ATOM 335 CB PHE A 21 6.239-126.508-115.038 1.00 0.00 C ATOM 336 CG PHE A 21 6.836-127.521-114.102 1.00 0.00 C ATOM 337 CD1 PHE A 21 7.856-127.155-113.242 1.00 0.00 C ATOM 338 CD2 PHE A 21 6.404-128.841-114.100 1.00 0.00 C ATOM 339 CE1 PHE A 21 8.436-128.077-112.400 1.00 0.00 C ATOM 340 CE2 PHE A 21 6.977-129.768-113.252 1.00 0.00 C ATOM 341 CZ PHE A 21 7.996-129.388-112.404 1.00 0.00 C ATOM 0 H PHE A 21 4.910-125.438-116.760 1.00 0.00 H new ATOM 0 HA PHE A 21 4.228-127.179-114.653 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.393-126.847-116.062 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.782-125.569-114.928 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.202-126.132-113.231 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.612-129.145-114.768 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.234-127.777-111.737 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.627-130.790-113.253 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.450-130.113-111.744 1.00 0.00 H new ATOM 351 N LEU A 22 4.855-124.045-113.804 1.00 0.00 N ATOM 352 CA LEU A 22 4.706-123.027-112.762 1.00 0.00 C ATOM 353 C LEU A 22 3.230-122.762-112.435 1.00 0.00 C ATOM 354 O LEU A 22 2.896-122.403-111.305 1.00 0.00 O ATOM 355 CB LEU A 22 5.368-121.718-113.215 1.00 0.00 C ATOM 356 CG LEU A 22 6.900-121.685-113.130 1.00 0.00 C ATOM 357 CD1 LEU A 22 7.444-120.483-113.892 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.364-121.658-111.677 1.00 0.00 C ATOM 0 H LEU A 22 5.228-123.683-114.682 1.00 0.00 H new ATOM 0 HA LEU A 22 5.193-123.402-111.861 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.075-121.522-114.246 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.971-120.903-112.610 1.00 0.00 H new ATOM 0 HG LEU A 22 7.290-122.593-113.589 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.532-120.471-113.824 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.147-120.551-114.938 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.043-119.566-113.459 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.453-121.635-111.643 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.967-120.770-111.185 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.004-122.549-111.163 1.00 0.00 H new ATOM 370 N ASP A 23 2.357-122.919-113.437 1.00 0.00 N ATOM 371 CA ASP A 23 0.919-122.676-113.268 1.00 0.00 C ATOM 372 C ASP A 23 0.333-123.482-112.103 1.00 0.00 C ATOM 373 O ASP A 23 -0.139-122.905-111.122 1.00 0.00 O ATOM 374 CB ASP A 23 0.171-122.992-114.574 1.00 0.00 C ATOM 375 CG ASP A 23 -1.315-122.691-114.488 1.00 0.00 C ATOM 376 OD1 ASP A 23 -2.096-123.630-114.225 1.00 0.00 O ATOM 377 OD2 ASP A 23 -1.696-121.518-114.683 1.00 0.00 O ATOM 0 H ASP A 23 2.622-123.214-114.377 1.00 0.00 H new ATOM 0 HA ASP A 23 0.789-121.621-113.027 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.608-122.412-115.387 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.310-124.044-114.822 1.00 0.00 H new ATOM 382 N LYS A 24 0.365-124.810-112.214 1.00 0.00 N ATOM 383 CA LYS A 24 -0.164-125.683-111.167 1.00 0.00 C ATOM 384 C LYS A 24 0.883-125.966-110.090 1.00 0.00 C ATOM 385 O LYS A 24 0.550-126.412-108.990 1.00 0.00 O ATOM 386 CB LYS A 24 -0.627-127.007-111.774 1.00 0.00 C ATOM 387 CG LYS A 24 0.511-127.867-112.313 1.00 0.00 C ATOM 388 CD LYS A 24 0.512-127.882-113.832 1.00 0.00 C ATOM 389 CE LYS A 24 1.751-128.567-114.389 1.00 0.00 C ATOM 390 NZ LYS A 24 1.763-128.576-115.879 1.00 0.00 N ATOM 0 H LYS A 24 0.752-125.304-113.018 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.006-125.168-110.704 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.171-127.573-111.017 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.328-126.800-112.582 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.464-127.484-111.949 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.412-128.885-111.936 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.380-128.396-114.191 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.463-126.859-114.206 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.642-128.058-114.023 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.795-129.592-114.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.675-128.944-116.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.994-129.183-116.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.628-127.608-116.233 1.00 0.00 H new ATOM 404 N GLU A 25 2.149-125.713-110.425 1.00 0.00 N ATOM 405 CA GLU A 25 3.265-125.943-109.518 1.00 0.00 C ATOM 406 C GLU A 25 3.277-127.382-108.992 1.00 0.00 C ATOM 407 O GLU A 25 2.756-127.670-107.912 1.00 0.00 O ATOM 408 CB GLU A 25 3.232-124.937-108.360 1.00 0.00 C ATOM 409 CG GLU A 25 4.565-124.777-107.643 1.00 0.00 C ATOM 410 CD GLU A 25 4.510-123.756-106.523 1.00 0.00 C ATOM 411 OE1 GLU A 25 4.205-124.147-105.377 1.00 0.00 O ATOM 412 OE2 GLU A 25 4.770-122.564-106.793 1.00 0.00 O ATOM 0 H GLU A 25 2.426-125.343-111.334 1.00 0.00 H new ATOM 0 HA GLU A 25 4.187-125.795-110.080 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.918-123.966-108.744 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.478-125.253-107.639 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.871-125.740-107.236 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.327-124.479-108.363 1.00 0.00 H new ATOM 419 N MET A 26 3.882-128.278-109.774 1.00 0.00 N ATOM 420 CA MET A 26 3.983-129.692-109.413 1.00 0.00 C ATOM 421 C MET A 26 5.394-130.015-108.909 1.00 0.00 C ATOM 422 O MET A 26 6.295-129.180-109.012 1.00 0.00 O ATOM 423 CB MET A 26 3.635-130.567-110.628 1.00 0.00 C ATOM 424 CG MET A 26 2.242-131.179-110.568 1.00 0.00 C ATOM 425 SD MET A 26 1.862-132.199-112.008 1.00 0.00 S ATOM 426 CE MET A 26 2.661-133.738-111.558 1.00 0.00 C ATOM 0 H MET A 26 4.313-128.046-110.669 1.00 0.00 H new ATOM 0 HA MET A 26 3.275-129.903-108.611 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.718-129.965-111.533 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.370-131.368-110.709 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.155-131.785-109.666 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.503-130.382-110.488 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.514-134.470-112.352 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.728-133.566-111.416 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.228-134.115-110.632 1.00 0.00 H new ATOM 436 N PRO A 27 5.610-131.230-108.350 1.00 0.00 N ATOM 437 CA PRO A 27 6.925-131.645-107.829 1.00 0.00 C ATOM 438 C PRO A 27 8.064-131.401-108.824 1.00 0.00 C ATOM 439 O PRO A 27 7.824-131.108-109.994 1.00 0.00 O ATOM 440 CB PRO A 27 6.745-133.144-107.574 1.00 0.00 C ATOM 441 CG PRO A 27 5.289-133.308-107.311 1.00 0.00 C ATOM 442 CD PRO A 27 4.593-132.290-108.173 1.00 0.00 C ATOM 0 HA PRO A 27 7.207-131.075-106.944 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.061-133.733-108.435 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.341-133.476-106.724 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.960-134.318-107.557 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.063-133.147-106.257 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.287-132.716-109.129 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.693-131.906-107.693 1.00 0.00 H new ATOM 450 N ASP A 28 9.305-131.529-108.347 1.00 0.00 N ATOM 451 CA ASP A 28 10.495-131.322-109.182 1.00 0.00 C ATOM 452 C ASP A 28 10.850-132.575-109.993 1.00 0.00 C ATOM 453 O ASP A 28 11.993-132.747-110.419 1.00 0.00 O ATOM 454 CB ASP A 28 11.681-130.931-108.303 1.00 0.00 C ATOM 455 CG ASP A 28 11.621-129.484-107.849 1.00 0.00 C ATOM 456 OD1 ASP A 28 10.660-129.124-107.138 1.00 0.00 O ATOM 457 OD2 ASP A 28 12.535-128.711-108.206 1.00 0.00 O ATOM 0 H ASP A 28 9.514-131.777-107.380 1.00 0.00 H new ATOM 0 HA ASP A 28 10.269-130.520-109.885 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.710-131.581-107.429 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.607-131.097-108.854 1.00 0.00 H new ATOM 462 N SER A 29 9.864-133.436-110.204 1.00 0.00 N ATOM 463 CA SER A 29 10.054-134.674-110.962 1.00 0.00 C ATOM 464 C SER A 29 10.063-134.405-112.461 1.00 0.00 C ATOM 465 O SER A 29 11.074-134.633-113.128 1.00 0.00 O ATOM 466 CB SER A 29 8.928-135.647-110.625 1.00 0.00 C ATOM 467 OG SER A 29 9.000-136.821-111.417 1.00 0.00 O ATOM 0 H SER A 29 8.914-133.301-109.859 1.00 0.00 H new ATOM 0 HA SER A 29 11.017-135.104-110.687 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.981-135.915-109.570 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.966-135.160-110.782 1.00 0.00 H new ATOM 0 HG SER A 29 8.266-137.424-111.176 1.00 0.00 H new ATOM 473 N ASP A 30 8.944-133.896-112.990 1.00 0.00 N ATOM 474 CA ASP A 30 8.866-133.577-114.411 1.00 0.00 C ATOM 475 C ASP A 30 9.929-132.538-114.725 1.00 0.00 C ATOM 476 O ASP A 30 10.657-132.657-115.710 1.00 0.00 O ATOM 477 CB ASP A 30 7.473-133.060-114.792 1.00 0.00 C ATOM 478 CG ASP A 30 6.405-134.132-114.690 1.00 0.00 C ATOM 479 OD1 ASP A 30 5.797-134.264-113.607 1.00 0.00 O ATOM 480 OD2 ASP A 30 6.174-134.838-115.695 1.00 0.00 O ATOM 0 H ASP A 30 8.094-133.700-112.461 1.00 0.00 H new ATOM 0 HA ASP A 30 9.040-134.480-114.996 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.209-132.226-114.142 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.499-132.674-115.811 1.00 0.00 H new ATOM 485 N ALA A 31 10.006-131.519-113.858 1.00 0.00 N ATOM 486 CA ALA A 31 10.978-130.437-113.992 1.00 0.00 C ATOM 487 C ALA A 31 12.288-130.929-114.601 1.00 0.00 C ATOM 488 O ALA A 31 12.824-130.302-115.512 1.00 0.00 O ATOM 489 CB ALA A 31 11.245-129.790-112.635 1.00 0.00 C ATOM 0 H ALA A 31 9.395-131.426-113.047 1.00 0.00 H new ATOM 0 HA ALA A 31 10.551-129.695-114.667 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.971-128.986-112.752 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.315-129.384-112.236 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.639-130.538-111.947 1.00 0.00 H new ATOM 495 N VAL A 32 12.819-132.042-114.071 1.00 0.00 N ATOM 496 CA VAL A 32 14.086-132.628-114.522 1.00 0.00 C ATOM 497 C VAL A 32 14.250-132.731-116.049 1.00 0.00 C ATOM 498 O VAL A 32 15.378-132.876-116.527 1.00 0.00 O ATOM 499 CB VAL A 32 14.273-134.031-113.881 1.00 0.00 C ATOM 500 CG1 VAL A 32 13.631-135.126-114.732 1.00 0.00 C ATOM 501 CG2 VAL A 32 15.749-134.324-113.641 1.00 0.00 C ATOM 0 H VAL A 32 12.377-132.562-113.313 1.00 0.00 H new ATOM 0 HA VAL A 32 14.860-131.935-114.191 1.00 0.00 H new ATOM 0 HB VAL A 32 13.765-134.024-112.917 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.781-136.094-114.253 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.563-134.931-114.830 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.090-135.135-115.720 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.856-135.311-113.192 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.284-134.298-114.590 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.164-133.573-112.969 1.00 0.00 H new ATOM 511 N LYS A 33 13.163-132.631-116.824 1.00 0.00 N ATOM 512 CA LYS A 33 13.261-132.687-118.281 1.00 0.00 C ATOM 513 C LYS A 33 13.439-131.279-118.856 1.00 0.00 C ATOM 514 O LYS A 33 13.358-131.072-120.067 1.00 0.00 O ATOM 515 CB LYS A 33 12.017-133.360-118.879 1.00 0.00 C ATOM 516 CG LYS A 33 12.284-134.099-120.186 1.00 0.00 C ATOM 517 CD LYS A 33 12.874-135.482-119.942 1.00 0.00 C ATOM 518 CE LYS A 33 13.157-136.211-121.248 1.00 0.00 C ATOM 519 NZ LYS A 33 13.698-137.580-121.018 1.00 0.00 N ATOM 0 H LYS A 33 12.215-132.512-116.467 1.00 0.00 H new ATOM 0 HA LYS A 33 14.134-133.283-118.547 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.611-134.063-118.152 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.253-132.602-119.051 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.354-134.194-120.747 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.969-133.515-120.801 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.797-135.388-119.370 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.183-136.071-119.338 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.239-136.277-121.832 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.869-135.634-121.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.877-138.041-121.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.587-137.516-120.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.008-138.140-120.477 1.00 0.00 H new ATOM 533 N PHE A 34 13.710-130.323-117.964 1.00 0.00 N ATOM 534 CA PHE A 34 13.934-128.940-118.340 1.00 0.00 C ATOM 535 C PHE A 34 15.432-128.673-118.451 1.00 0.00 C ATOM 536 O PHE A 34 15.864-127.845-119.253 1.00 0.00 O ATOM 537 CB PHE A 34 13.296-128.003-117.312 1.00 0.00 C ATOM 538 CG PHE A 34 11.786-128.064-117.246 1.00 0.00 C ATOM 539 CD1 PHE A 34 11.036-128.714-118.224 1.00 0.00 C ATOM 540 CD2 PHE A 34 11.114-127.459-116.196 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.655-128.753-118.149 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.736-127.497-116.118 1.00 0.00 C ATOM 543 CZ PHE A 34 9.006-128.144-117.093 1.00 0.00 C ATOM 0 H PHE A 34 13.779-130.495-116.961 1.00 0.00 H new ATOM 0 HA PHE A 34 13.471-128.753-119.309 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.698-128.240-116.327 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.594-126.980-117.540 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.539-129.193-119.051 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.676-126.950-115.427 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.086-129.259-118.915 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.229-127.019-115.292 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.928-128.174-117.031 1.00 0.00 H new ATOM 553 N GLU A 35 16.225-129.397-117.647 1.00 0.00 N ATOM 554 CA GLU A 35 17.680-129.254-117.667 1.00 0.00 C ATOM 555 C GLU A 35 18.248-129.640-119.035 1.00 0.00 C ATOM 556 O GLU A 35 19.287-129.126-119.451 1.00 0.00 O ATOM 557 CB GLU A 35 18.319-130.111-116.575 1.00 0.00 C ATOM 558 CG GLU A 35 18.056-129.605-115.165 1.00 0.00 C ATOM 559 CD GLU A 35 18.819-130.387-114.111 1.00 0.00 C ATOM 560 OE1 GLU A 35 19.957-129.989-113.786 1.00 0.00 O ATOM 561 OE2 GLU A 35 18.277-131.395-113.611 1.00 0.00 O ATOM 0 H GLU A 35 15.880-130.085-116.978 1.00 0.00 H new ATOM 0 HA GLU A 35 17.917-128.207-117.477 1.00 0.00 H new ATOM 0 HB2 GLU A 35 17.944-131.131-116.661 1.00 0.00 H new ATOM 0 HB3 GLU A 35 19.395-130.152-116.741 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.334-128.553-115.103 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.988-129.666-114.955 1.00 0.00 H new ATOM 568 N HIS A 36 17.550-130.545-119.735 1.00 0.00 N ATOM 569 CA HIS A 36 17.978-130.993-121.063 1.00 0.00 C ATOM 570 C HIS A 36 17.830-129.879-122.108 1.00 0.00 C ATOM 571 O HIS A 36 18.460-129.927-123.165 1.00 0.00 O ATOM 572 CB HIS A 36 17.171-132.224-121.498 1.00 0.00 C ATOM 573 CG HIS A 36 17.527-133.472-120.748 1.00 0.00 C ATOM 574 ND1 HIS A 36 18.435-134.399-121.215 1.00 0.00 N ATOM 575 CD2 HIS A 36 17.092-133.945-119.555 1.00 0.00 C ATOM 576 CE1 HIS A 36 18.541-135.388-120.345 1.00 0.00 C ATOM 577 NE2 HIS A 36 17.738-135.135-119.329 1.00 0.00 N ATOM 0 H HIS A 36 16.689-130.979-119.403 1.00 0.00 H new ATOM 0 HA HIS A 36 19.033-131.258-120.996 1.00 0.00 H new ATOM 0 HB2 HIS A 36 16.109-132.019-121.361 1.00 0.00 H new ATOM 0 HB3 HIS A 36 17.328-132.393-122.563 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.371-133.474-118.903 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.176-136.255-120.448 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.617-135.728-118.508 1.00 0.00 H new ATOM 586 N HIS A 37 16.990-128.878-121.809 1.00 0.00 N ATOM 587 CA HIS A 37 16.761-127.757-122.728 1.00 0.00 C ATOM 588 C HIS A 37 17.973-126.815-122.808 1.00 0.00 C ATOM 589 O HIS A 37 18.019-125.937-123.672 1.00 0.00 O ATOM 590 CB HIS A 37 15.512-126.967-122.306 1.00 0.00 C ATOM 591 CG HIS A 37 15.183-125.821-123.220 1.00 0.00 C ATOM 592 ND1 HIS A 37 14.786-124.582-122.764 1.00 0.00 N ATOM 593 CD2 HIS A 37 15.218-125.727-124.571 1.00 0.00 C ATOM 594 CE1 HIS A 37 14.593-123.777-123.794 1.00 0.00 C ATOM 595 NE2 HIS A 37 14.850-124.447-124.903 1.00 0.00 N ATOM 0 H HIS A 37 16.460-128.823-120.940 1.00 0.00 H new ATOM 0 HA HIS A 37 16.607-128.181-123.720 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.660-127.646-122.268 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.660-126.584-121.296 1.00 0.00 H new ATOM 0 HD1 HIS A 37 14.661-124.327-121.784 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.486-126.514-125.260 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.278-122.745-123.738 1.00 0.00 H new ATOM 603 N PHE A 38 18.962-127.004-121.929 1.00 0.00 N ATOM 604 CA PHE A 38 20.172-126.174-121.927 1.00 0.00 C ATOM 605 C PHE A 38 21.242-126.769-122.850 1.00 0.00 C ATOM 606 O PHE A 38 22.301-126.176-123.063 1.00 0.00 O ATOM 607 CB PHE A 38 20.731-126.104-120.510 1.00 0.00 C ATOM 608 CG PHE A 38 20.406-124.826-119.777 1.00 0.00 C ATOM 609 CD1 PHE A 38 21.238-123.720-119.862 1.00 0.00 C ATOM 610 CD2 PHE A 38 19.264-124.735-118.995 1.00 0.00 C ATOM 611 CE1 PHE A 38 20.937-122.557-119.185 1.00 0.00 C ATOM 612 CE2 PHE A 38 18.962-123.575-118.317 1.00 0.00 C ATOM 613 CZ PHE A 38 19.799-122.487-118.413 1.00 0.00 C ATOM 0 H PHE A 38 18.949-127.726-121.208 1.00 0.00 H new ATOM 0 HA PHE A 38 19.909-125.178-122.284 1.00 0.00 H new ATOM 0 HB2 PHE A 38 20.343-126.946-119.937 1.00 0.00 H new ATOM 0 HB3 PHE A 38 21.814-126.219-120.553 1.00 0.00 H new ATOM 0 HD1 PHE A 38 22.132-123.770-120.466 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.603-125.585-118.917 1.00 0.00 H new ATOM 0 HE1 PHE A 38 21.593-121.702-119.260 1.00 0.00 H new ATOM 0 HE2 PHE A 38 18.070-123.519-117.711 1.00 0.00 H new ATOM 0 HZ PHE A 38 19.563-121.577-117.882 1.00 0.00 H new ATOM 623 N GLU A 39 20.936-127.941-123.389 1.00 0.00 N ATOM 624 CA GLU A 39 21.824-128.652-124.295 1.00 0.00 C ATOM 625 C GLU A 39 21.492-128.330-125.755 1.00 0.00 C ATOM 626 O GLU A 39 22.215-127.578-126.410 1.00 0.00 O ATOM 627 CB GLU A 39 21.734-130.154-124.042 1.00 0.00 C ATOM 628 CG GLU A 39 22.383-130.594-122.738 1.00 0.00 C ATOM 629 CD GLU A 39 22.258-132.086-122.495 1.00 0.00 C ATOM 630 OE1 GLU A 39 23.164-132.834-122.920 1.00 0.00 O ATOM 631 OE2 GLU A 39 21.256-132.506-121.881 1.00 0.00 O ATOM 0 H GLU A 39 20.058-128.428-123.208 1.00 0.00 H new ATOM 0 HA GLU A 39 22.846-128.323-124.105 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.685-130.450-124.034 1.00 0.00 H new ATOM 0 HB3 GLU A 39 22.208-130.682-124.870 1.00 0.00 H new ATOM 0 HG2 GLU A 39 23.438-130.320-122.751 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.924-130.055-121.909 1.00 0.00 H new ATOM 801 N GLU A 51 14.726-116.020-120.091 1.00 0.00 N ATOM 802 CA GLU A 51 15.548-116.414-118.938 1.00 0.00 C ATOM 803 C GLU A 51 14.671-116.855-117.761 1.00 0.00 C ATOM 804 O GLU A 51 15.062-117.711-116.972 1.00 0.00 O ATOM 805 CB GLU A 51 16.448-115.248-118.507 1.00 0.00 C ATOM 806 CG GLU A 51 17.767-115.179-119.265 1.00 0.00 C ATOM 807 CD GLU A 51 18.598-113.968-118.885 1.00 0.00 C ATOM 808 OE1 GLU A 51 18.427-112.908-119.524 1.00 0.00 O ATOM 809 OE2 GLU A 51 19.418-114.080-117.950 1.00 0.00 O ATOM 0 HA GLU A 51 16.169-117.257-119.239 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.908-114.312-118.650 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.656-115.336-117.441 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.341-116.085-119.070 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.565-115.154-120.336 1.00 0.00 H new ATOM 816 N GLN A 52 13.485-116.258-117.669 1.00 0.00 N ATOM 817 CA GLN A 52 12.529-116.574-116.605 1.00 0.00 C ATOM 818 C GLN A 52 12.287-118.080-116.488 1.00 0.00 C ATOM 819 O GLN A 52 12.444-118.666-115.417 1.00 0.00 O ATOM 820 CB GLN A 52 11.202-115.877-116.859 1.00 0.00 C ATOM 821 CG GLN A 52 10.230-115.983-115.691 1.00 0.00 C ATOM 822 CD GLN A 52 10.807-115.468-114.383 1.00 0.00 C ATOM 823 OE1 GLN A 52 10.689-116.121-113.346 1.00 0.00 O ATOM 824 NE2 GLN A 52 11.435-114.298-114.419 1.00 0.00 N ATOM 0 H GLN A 52 13.159-115.547-118.323 1.00 0.00 H new ATOM 0 HA GLN A 52 12.962-116.219-115.670 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.388-114.825-117.073 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.739-116.306-117.748 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.326-115.422-115.927 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.935-117.025-115.565 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.512-113.787-115.299 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.841-113.910-113.567 1.00 0.00 H new ATOM 833 N ALA A 53 11.868-118.680-117.596 1.00 0.00 N ATOM 834 CA ALA A 53 11.551-120.108-117.648 1.00 0.00 C ATOM 835 C ALA A 53 12.776-121.024-117.512 1.00 0.00 C ATOM 836 O ALA A 53 12.669-122.108-116.943 1.00 0.00 O ATOM 837 CB ALA A 53 10.810-120.421-118.942 1.00 0.00 C ATOM 0 H ALA A 53 11.738-118.194-118.483 1.00 0.00 H new ATOM 0 HA ALA A 53 10.921-120.315-116.783 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.575-121.485-118.979 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.886-119.844-118.981 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.438-120.159-119.793 1.00 0.00 H new ATOM 843 N VAL A 54 13.927-120.618-118.054 1.00 0.00 N ATOM 844 CA VAL A 54 15.124-121.458-117.998 1.00 0.00 C ATOM 845 C VAL A 54 15.948-121.266-116.723 1.00 0.00 C ATOM 846 O VAL A 54 16.506-122.230-116.200 1.00 0.00 O ATOM 847 CB VAL A 54 16.022-121.251-119.240 1.00 0.00 C ATOM 848 CG1 VAL A 54 15.323-121.771-120.491 1.00 0.00 C ATOM 849 CG2 VAL A 54 16.421-119.789-119.407 1.00 0.00 C ATOM 0 H VAL A 54 14.054-119.725-118.530 1.00 0.00 H new ATOM 0 HA VAL A 54 14.754-122.483-117.988 1.00 0.00 H new ATOM 0 HB VAL A 54 16.939-121.822-119.090 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.967-121.619-121.357 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.115-122.835-120.376 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.387-121.232-120.635 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.051-119.682-120.290 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.526-119.179-119.525 1.00 0.00 H new ATOM 0 HG23 VAL A 54 16.972-119.459-118.526 1.00 0.00 H new ATOM 859 N LYS A 55 16.027-120.038-116.217 1.00 0.00 N ATOM 860 CA LYS A 55 16.790-119.774-114.995 1.00 0.00 C ATOM 861 C LYS A 55 16.120-120.450-113.795 1.00 0.00 C ATOM 862 O LYS A 55 16.793-120.960-112.899 1.00 0.00 O ATOM 863 CB LYS A 55 16.916-118.264-114.743 1.00 0.00 C ATOM 864 CG LYS A 55 17.849-117.554-115.717 1.00 0.00 C ATOM 865 CD LYS A 55 19.313-117.748-115.341 1.00 0.00 C ATOM 866 CE LYS A 55 20.240-117.000-116.287 1.00 0.00 C ATOM 867 NZ LYS A 55 21.675-117.199-115.940 1.00 0.00 N ATOM 0 H LYS A 55 15.579-119.218-116.626 1.00 0.00 H new ATOM 0 HA LYS A 55 17.791-120.187-115.124 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.927-117.811-114.806 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.276-118.103-113.727 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.679-117.933-116.725 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.616-116.489-115.733 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.476-117.400-114.321 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.556-118.811-115.358 1.00 0.00 H new ATOM 0 HE2 LYS A 55 20.064-117.338-117.308 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.005-115.936-116.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.271-116.672-116.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.850-116.853-114.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.908-118.211-115.992 1.00 0.00 H new ATOM 881 N LYS A 56 14.785-120.445-113.798 1.00 0.00 N ATOM 882 CA LYS A 56 13.983-121.046-112.734 1.00 0.00 C ATOM 883 C LYS A 56 14.262-122.540-112.559 1.00 0.00 C ATOM 884 O LYS A 56 14.494-123.010-111.446 1.00 0.00 O ATOM 885 CB LYS A 56 12.500-120.855-113.049 1.00 0.00 C ATOM 886 CG LYS A 56 11.885-119.589-112.461 1.00 0.00 C ATOM 887 CD LYS A 56 12.323-119.345-111.024 1.00 0.00 C ATOM 888 CE LYS A 56 11.422-118.340-110.319 1.00 0.00 C ATOM 889 NZ LYS A 56 10.134-118.952-109.882 1.00 0.00 N ATOM 0 H LYS A 56 14.230-120.022-114.542 1.00 0.00 H new ATOM 0 HA LYS A 56 14.255-120.546-111.804 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.371-120.837-114.131 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.949-121.718-112.676 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.167-118.733-113.074 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.798-119.665-112.499 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.314-120.288-110.477 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.350-118.981-111.014 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.942-117.933-109.452 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.217-117.505-110.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.552-118.233-109.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.624-119.318-110.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.327-119.733-109.222 1.00 0.00 H new ATOM 903 N LEU A 57 14.220-123.275-113.668 1.00 0.00 N ATOM 904 CA LEU A 57 14.449-124.721-113.652 1.00 0.00 C ATOM 905 C LEU A 57 15.776-125.074-112.976 1.00 0.00 C ATOM 906 O LEU A 57 15.843-126.003-112.170 1.00 0.00 O ATOM 907 CB LEU A 57 14.384-125.279-115.079 1.00 0.00 C ATOM 908 CG LEU A 57 15.672-125.165-115.897 1.00 0.00 C ATOM 909 CD1 LEU A 57 16.546-126.398-115.708 1.00 0.00 C ATOM 910 CD2 LEU A 57 15.363-124.946-117.373 1.00 0.00 C ATOM 0 H LEU A 57 14.029-122.892-114.594 1.00 0.00 H new ATOM 0 HA LEU A 57 13.659-125.186-113.061 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.102-126.330-115.025 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.588-124.762-115.615 1.00 0.00 H new ATOM 0 HG LEU A 57 16.223-124.298-115.534 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.456-126.293-116.299 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.808-126.501-114.655 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.001-127.284-116.034 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.295-124.868-117.932 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.782-125.787-117.752 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.791-124.026-117.492 1.00 0.00 H new ATOM 922 N VAL A 58 16.824-124.323-113.310 1.00 0.00 N ATOM 923 CA VAL A 58 18.150-124.549-112.734 1.00 0.00 C ATOM 924 C VAL A 58 18.203-124.081-111.279 1.00 0.00 C ATOM 925 O VAL A 58 18.761-124.765-110.419 1.00 0.00 O ATOM 926 CB VAL A 58 19.257-123.840-113.543 1.00 0.00 C ATOM 927 CG1 VAL A 58 20.636-124.123-112.954 1.00 0.00 C ATOM 928 CG2 VAL A 58 19.205-124.251-115.010 1.00 0.00 C ATOM 0 H VAL A 58 16.781-123.552-113.977 1.00 0.00 H new ATOM 0 HA VAL A 58 18.330-125.623-112.773 1.00 0.00 H new ATOM 0 HB VAL A 58 19.078-122.767-113.482 1.00 0.00 H new ATOM 0 HG11 VAL A 58 21.396-123.611-113.544 1.00 0.00 H new ATOM 0 HG12 VAL A 58 20.673-123.764-111.925 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.826-125.196-112.971 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.994-123.738-115.560 1.00 0.00 H new ATOM 0 HG22 VAL A 58 19.347-125.329-115.091 1.00 0.00 H new ATOM 0 HG23 VAL A 58 18.236-123.980-115.430 1.00 0.00 H new ATOM 938 N LYS A 59 17.615-122.913-111.013 1.00 0.00 N ATOM 939 CA LYS A 59 17.585-122.352-109.662 1.00 0.00 C ATOM 940 C LYS A 59 16.768-123.237-108.718 1.00 0.00 C ATOM 941 O LYS A 59 17.069-123.326-107.526 1.00 0.00 O ATOM 942 CB LYS A 59 17.006-120.938-109.686 1.00 0.00 C ATOM 943 CG LYS A 59 17.989-119.877-110.170 1.00 0.00 C ATOM 944 CD LYS A 59 18.791-119.282-109.018 1.00 0.00 C ATOM 945 CE LYS A 59 19.792-118.244-109.505 1.00 0.00 C ATOM 946 NZ LYS A 59 19.136-116.949-109.846 1.00 0.00 N ATOM 0 H LYS A 59 17.153-122.337-111.717 1.00 0.00 H new ATOM 0 HA LYS A 59 18.609-122.310-109.292 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.127-120.926-110.331 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.669-120.677-108.683 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.670-120.318-110.898 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.445-119.084-110.682 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.111-118.823-108.300 1.00 0.00 H new ATOM 0 HD3 LYS A 59 19.319-120.078-108.493 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.544-118.077-108.734 1.00 0.00 H new ATOM 0 HE3 LYS A 59 20.314-118.628-110.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.854-116.272-110.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.436-117.102-110.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.660-116.569-109.003 1.00 0.00 H new ATOM 960 N ARG A 60 15.737-123.892-109.261 1.00 0.00 N ATOM 961 CA ARG A 60 14.880-124.772-108.478 1.00 0.00 C ATOM 962 C ARG A 60 15.612-126.066-108.119 1.00 0.00 C ATOM 963 O ARG A 60 16.473-126.072-107.238 1.00 0.00 O ATOM 964 CB ARG A 60 13.597-125.080-109.250 1.00 0.00 C ATOM 965 CG ARG A 60 12.652-123.902-109.370 1.00 0.00 C ATOM 966 CD ARG A 60 11.587-123.907-108.281 1.00 0.00 C ATOM 967 NE ARG A 60 12.165-123.823-106.936 1.00 0.00 N ATOM 968 CZ ARG A 60 12.626-122.698-106.381 1.00 0.00 C ATOM 969 NH1 ARG A 60 12.587-121.545-107.046 1.00 0.00 N ATOM 970 NH2 ARG A 60 13.131-122.726-105.152 1.00 0.00 N ATOM 0 H ARG A 60 15.479-123.825-110.246 1.00 0.00 H new ATOM 0 HA ARG A 60 14.619-124.263-107.550 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.861-125.424-110.250 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.077-125.901-108.757 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.221-122.974-109.315 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.170-123.923-110.347 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.909-123.068-108.435 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.992-124.817-108.362 1.00 0.00 H new ATOM 0 HE ARG A 60 12.219-124.681-106.387 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.202-121.514-107.990 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.942-120.693-106.611 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.166-123.605-104.635 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.484-121.869-104.726 1.00 0.00 H new ATOM 1101 N LEU A 71 7.172-114.480-103.871 1.00 0.00 N ATOM 1102 CA LEU A 71 7.540-113.747-105.080 1.00 0.00 C ATOM 1103 C LEU A 71 7.629-114.701-106.265 1.00 0.00 C ATOM 1104 O LEU A 71 7.094-114.419-107.333 1.00 0.00 O ATOM 1105 CB LEU A 71 8.856-113.004-104.882 1.00 0.00 C ATOM 1106 CG LEU A 71 9.055-111.774-105.778 1.00 0.00 C ATOM 1107 CD1 LEU A 71 9.503-112.201-107.164 1.00 0.00 C ATOM 1108 CD2 LEU A 71 7.776-110.945-105.867 1.00 0.00 C ATOM 0 HA LEU A 71 6.766-113.008-105.288 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.924-112.689-103.841 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.677-113.699-105.059 1.00 0.00 H new ATOM 0 HG LEU A 71 9.830-111.152-105.331 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.641-111.319-107.790 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.445-112.744-107.091 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.746-112.847-107.608 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.947-110.080-106.508 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.976-111.555-106.286 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.491-110.607-104.871 1.00 0.00 H new ATOM 1120 N ARG A 72 8.308-115.830-106.060 1.00 0.00 N ATOM 1121 CA ARG A 72 8.468-116.851-107.104 1.00 0.00 C ATOM 1122 C ARG A 72 7.178-116.965-107.912 1.00 0.00 C ATOM 1123 O ARG A 72 7.187-116.996-109.143 1.00 0.00 O ATOM 1124 CB ARG A 72 8.802-118.219-106.494 1.00 0.00 C ATOM 1125 CG ARG A 72 9.953-118.189-105.505 1.00 0.00 C ATOM 1126 CD ARG A 72 11.305-118.265-106.202 1.00 0.00 C ATOM 1127 NE ARG A 72 12.420-118.233-105.252 1.00 0.00 N ATOM 1128 CZ ARG A 72 13.706-118.172-105.608 1.00 0.00 C ATOM 1129 NH1 ARG A 72 14.054-118.137-106.892 1.00 0.00 N ATOM 1130 NH2 ARG A 72 14.650-118.147-104.673 1.00 0.00 N ATOM 0 H ARG A 72 8.760-116.064-105.176 1.00 0.00 H new ATOM 0 HA ARG A 72 9.291-116.548-107.751 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.916-118.608-105.993 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.045-118.914-107.298 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.900-117.274-104.915 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.856-119.023-104.810 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.357-119.181-106.790 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.400-117.432-106.899 1.00 0.00 H new ATOM 0 HE ARG A 72 12.200-118.259-104.256 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.336-118.157-107.616 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.039-118.090-107.152 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.392-118.174-103.687 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.633-118.100-104.942 1.00 0.00 H new ATOM 1144 N ALA A 73 6.072-117.051-107.180 1.00 0.00 N ATOM 1145 CA ALA A 73 4.748-117.187-107.770 1.00 0.00 C ATOM 1146 C ALA A 73 4.337-115.954-108.584 1.00 0.00 C ATOM 1147 O ALA A 73 3.535-116.059-109.514 1.00 0.00 O ATOM 1148 CB ALA A 73 3.717-117.459-106.688 1.00 0.00 C ATOM 0 H ALA A 73 6.070-117.028-106.160 1.00 0.00 H new ATOM 0 HA ALA A 73 4.792-118.031-108.459 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.731-117.559-107.142 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.972-118.382-106.167 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.708-116.632-105.978 1.00 0.00 H new ATOM 1154 N LYS A 74 4.872-114.788-108.219 1.00 0.00 N ATOM 1155 CA LYS A 74 4.547-113.533-108.901 1.00 0.00 C ATOM 1156 C LYS A 74 5.532-113.190-110.023 1.00 0.00 C ATOM 1157 O LYS A 74 5.146-112.567-111.014 1.00 0.00 O ATOM 1158 CB LYS A 74 4.489-112.391-107.891 1.00 0.00 C ATOM 1159 CG LYS A 74 3.136-112.238-107.206 1.00 0.00 C ATOM 1160 CD LYS A 74 2.771-113.474-106.394 1.00 0.00 C ATOM 1161 CE LYS A 74 1.584-113.214-105.476 1.00 0.00 C ATOM 1162 NZ LYS A 74 1.222-114.417-104.676 1.00 0.00 N ATOM 0 H LYS A 74 5.536-114.686-107.451 1.00 0.00 H new ATOM 0 HA LYS A 74 3.571-113.670-109.367 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.253-112.553-107.131 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.736-111.458-108.398 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.156-111.366-106.552 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.367-112.056-107.957 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.536-114.297-107.069 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.630-113.785-105.799 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.820-112.389-104.804 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.726-112.904-106.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.410-114.196-104.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.972-115.197-105.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.032-114.699-104.087 1.00 0.00 H new ATOM 1176 N VAL A 75 6.795-113.596-109.878 1.00 0.00 N ATOM 1177 CA VAL A 75 7.806-113.325-110.888 1.00 0.00 C ATOM 1178 C VAL A 75 7.493-114.045-112.206 1.00 0.00 C ATOM 1179 O VAL A 75 7.918-113.607-113.276 1.00 0.00 O ATOM 1180 CB VAL A 75 9.207-113.732-110.394 1.00 0.00 C ATOM 1181 CG1 VAL A 75 9.255-115.197-109.992 1.00 0.00 C ATOM 1182 CG2 VAL A 75 10.238-113.439-111.455 1.00 0.00 C ATOM 0 H VAL A 75 7.137-114.114-109.068 1.00 0.00 H new ATOM 0 HA VAL A 75 7.794-112.250-111.070 1.00 0.00 H new ATOM 0 HB VAL A 75 9.434-113.142-109.506 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.259-115.447-109.649 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.541-115.377-109.188 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.999-115.818-110.850 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.224-113.731-111.094 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.001-114.001-112.358 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.235-112.373-111.681 1.00 0.00 H new ATOM 1192 N MET A 76 6.730-115.135-112.120 1.00 0.00 N ATOM 1193 CA MET A 76 6.341-115.900-113.302 1.00 0.00 C ATOM 1194 C MET A 76 5.461-115.064-114.237 1.00 0.00 C ATOM 1195 O MET A 76 5.410-115.334-115.434 1.00 0.00 O ATOM 1196 CB MET A 76 5.639-117.207-112.891 1.00 0.00 C ATOM 1197 CG MET A 76 4.124-117.110-112.783 1.00 0.00 C ATOM 1198 SD MET A 76 3.412-118.421-111.766 1.00 0.00 S ATOM 1199 CE MET A 76 1.724-118.441-112.366 1.00 0.00 C ATOM 0 H MET A 76 6.369-115.507-111.242 1.00 0.00 H new ATOM 0 HA MET A 76 7.245-116.161-113.853 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.889-117.981-113.617 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.038-117.531-111.930 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.855-116.142-112.361 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.689-117.154-113.782 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.157-119.203-111.831 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.267-117.465-112.200 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.720-118.667-113.432 1.00 0.00 H new ATOM 1209 N GLY A 77 4.787-114.031-113.701 1.00 0.00 N ATOM 1210 CA GLY A 77 3.952-113.178-114.546 1.00 0.00 C ATOM 1211 C GLY A 77 4.726-112.585-115.721 1.00 0.00 C ATOM 1212 O GLY A 77 4.128-112.198-116.725 1.00 0.00 O ATOM 0 H GLY A 77 4.805-113.776-112.714 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.111-113.759-114.925 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.536-112.370-113.944 1.00 0.00 H new ATOM 1216 N ARG A 78 6.063-112.546-115.606 1.00 0.00 N ATOM 1217 CA ARG A 78 6.928-112.039-116.681 1.00 0.00 C ATOM 1218 C ARG A 78 6.794-112.922-117.917 1.00 0.00 C ATOM 1219 O ARG A 78 7.080-112.499-119.039 1.00 0.00 O ATOM 1220 CB ARG A 78 8.396-112.012-116.212 1.00 0.00 C ATOM 1221 CG ARG A 78 9.382-112.750-117.127 1.00 0.00 C ATOM 1222 CD ARG A 78 10.295-111.770-117.852 1.00 0.00 C ATOM 1223 NE ARG A 78 11.199-112.441-118.787 1.00 0.00 N ATOM 1224 CZ ARG A 78 12.187-111.829-119.444 1.00 0.00 C ATOM 1225 NH1 ARG A 78 12.404-110.525-119.283 1.00 0.00 N ATOM 1226 NH2 ARG A 78 12.964-112.523-120.266 1.00 0.00 N ATOM 0 H ARG A 78 6.568-112.860-114.778 1.00 0.00 H new ATOM 0 HA ARG A 78 6.619-111.025-116.933 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.714-110.973-116.123 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.451-112.449-115.215 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.982-113.443-116.537 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.831-113.346-117.855 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.688-111.045-118.394 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.880-111.213-117.120 1.00 0.00 H new ATOM 0 HE ARG A 78 11.066-113.440-118.947 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.812-109.984-118.653 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.162-110.068-119.790 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.806-113.522-120.395 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.719-112.057-120.769 1.00 0.00 H new ATOM 1240 N LEU A 79 6.317-114.137-117.695 1.00 0.00 N ATOM 1241 CA LEU A 79 6.091-115.082-118.769 1.00 0.00 C ATOM 1242 C LEU A 79 4.655-114.903-119.240 1.00 0.00 C ATOM 1243 O LEU A 79 4.339-115.073-120.418 1.00 0.00 O ATOM 1244 CB LEU A 79 6.388-116.503-118.283 1.00 0.00 C ATOM 1245 CG LEU A 79 7.873-116.893-118.325 1.00 0.00 C ATOM 1246 CD1 LEU A 79 8.177-118.046-117.386 1.00 0.00 C ATOM 1247 CD2 LEU A 79 8.318-117.202-119.747 1.00 0.00 C ATOM 0 H LEU A 79 6.078-114.491-116.769 1.00 0.00 H new ATOM 0 HA LEU A 79 6.759-114.904-119.612 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.027-116.606-117.260 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.823-117.208-118.893 1.00 0.00 H new ATOM 0 HG LEU A 79 8.447-116.035-117.976 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.237-118.293-117.444 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.927-117.759-116.365 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.586-118.915-117.674 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.373-117.475-119.747 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.729-118.030-120.141 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.171-116.322-120.374 1.00 0.00 H new ATOM 1259 N ASP A 80 3.801-114.490-118.293 1.00 0.00 N ATOM 1260 CA ASP A 80 2.410-114.199-118.554 1.00 0.00 C ATOM 1261 C ASP A 80 2.295-112.942-119.429 1.00 0.00 C ATOM 1262 O ASP A 80 1.230-112.654-119.979 1.00 0.00 O ATOM 1263 CB ASP A 80 1.662-113.982-117.228 1.00 0.00 C ATOM 1264 CG ASP A 80 0.196-114.368-117.313 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -0.658-113.457-117.334 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -0.096-115.581-117.359 1.00 0.00 O ATOM 0 H ASP A 80 4.072-114.352-117.320 1.00 0.00 H new ATOM 0 HA ASP A 80 1.963-115.042-119.080 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.143-114.567-116.444 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.742-112.934-116.938 1.00 0.00 H new ATOM 1271 N LEU A 81 3.411-112.201-119.549 1.00 0.00 N ATOM 1272 CA LEU A 81 3.469-110.977-120.347 1.00 0.00 C ATOM 1273 C LEU A 81 3.058-111.239-121.799 1.00 0.00 C ATOM 1274 O LEU A 81 2.261-110.496-122.371 1.00 0.00 O ATOM 1275 CB LEU A 81 4.896-110.396-120.307 1.00 0.00 C ATOM 1276 CG LEU A 81 5.259-109.608-119.039 1.00 0.00 C ATOM 1277 CD1 LEU A 81 6.766-109.388-118.960 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.531-108.274-118.998 1.00 0.00 C ATOM 0 H LEU A 81 4.293-112.438-119.094 1.00 0.00 H new ATOM 0 HA LEU A 81 2.768-110.260-119.920 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.606-111.216-120.419 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.026-109.742-121.169 1.00 0.00 H new ATOM 0 HG LEU A 81 4.944-110.196-118.177 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.005-108.828-118.056 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.274-110.352-118.935 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.098-108.826-119.833 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.806-107.737-118.090 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.809-107.681-119.869 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.455-108.446-119.005 1.00 0.00 H new ATOM 1290 N ILE A 82 3.617-112.300-122.386 1.00 0.00 N ATOM 1291 CA ILE A 82 3.325-112.667-123.768 1.00 0.00 C ATOM 1292 C ILE A 82 1.893-113.178-123.914 1.00 0.00 C ATOM 1293 O ILE A 82 1.215-112.876-124.898 1.00 0.00 O ATOM 1294 CB ILE A 82 4.310-113.744-124.282 1.00 0.00 C ATOM 1295 CG1 ILE A 82 5.754-113.353-123.937 1.00 0.00 C ATOM 1296 CG2 ILE A 82 4.154-113.944-125.788 1.00 0.00 C ATOM 1297 CD1 ILE A 82 6.286-114.007-122.679 1.00 0.00 C ATOM 0 H ILE A 82 4.278-112.921-121.920 1.00 0.00 H new ATOM 0 HA ILE A 82 3.442-111.765-124.369 1.00 0.00 H new ATOM 0 HB ILE A 82 4.078-114.687-123.788 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.401-113.618-124.773 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.809-112.270-123.822 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.856-114.705-126.129 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.136-114.264-126.009 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.359-113.005-126.303 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.311-113.680-122.504 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.665-113.722-121.830 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.266-115.091-122.796 1.00 0.00 H new ATOM 1309 N ARG A 83 1.445-113.963-122.930 1.00 0.00 N ATOM 1310 CA ARG A 83 0.102-114.531-122.936 1.00 0.00 C ATOM 1311 C ARG A 83 -0.985-113.466-123.133 1.00 0.00 C ATOM 1312 O ARG A 83 -2.059-113.763-123.660 1.00 0.00 O ATOM 1313 CB ARG A 83 -0.151-115.305-121.647 1.00 0.00 C ATOM 1314 CG ARG A 83 0.413-116.707-121.682 1.00 0.00 C ATOM 1315 CD ARG A 83 0.449-117.347-120.299 1.00 0.00 C ATOM 1316 NE ARG A 83 -0.879-117.777-119.853 1.00 0.00 N ATOM 1317 CZ ARG A 83 -1.483-118.902-120.252 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -0.888-119.725-121.114 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -2.689-119.205-119.787 1.00 0.00 N ATOM 0 H ARG A 83 2.001-114.219-122.114 1.00 0.00 H new ATOM 0 HA ARG A 83 0.047-115.210-123.787 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.290-114.762-120.811 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.224-115.355-121.464 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.189-117.323-122.350 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.421-116.681-122.095 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.120-118.205-120.315 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.858-116.636-119.582 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.376-117.178-119.194 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.038-119.500-121.477 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.359-120.580-121.411 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.153-118.581-119.127 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.152-120.062-120.090 1.00 0.00 H new ATOM 1333 N SER A 84 -0.699-112.229-122.713 1.00 0.00 N ATOM 1334 CA SER A 84 -1.653-111.127-122.850 1.00 0.00 C ATOM 1335 C SER A 84 -1.401-110.333-124.133 1.00 0.00 C ATOM 1336 O SER A 84 -2.340-109.849-124.766 1.00 0.00 O ATOM 1337 CB SER A 84 -1.573-110.197-121.634 1.00 0.00 C ATOM 1338 OG SER A 84 -0.271-109.659-121.485 1.00 0.00 O ATOM 0 H SER A 84 0.185-111.968-122.276 1.00 0.00 H new ATOM 0 HA SER A 84 -2.653-111.557-122.905 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.294-109.387-121.745 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.847-110.747-120.734 1.00 0.00 H new ATOM 0 HG SER A 84 0.355-110.154-122.054 1.00 0.00 H new ATOM 1344 N GLY A 85 -0.125-110.205-124.514 1.00 0.00 N ATOM 1345 CA GLY A 85 0.229-109.473-125.721 1.00 0.00 C ATOM 1346 C GLY A 85 0.042-107.971-125.582 1.00 0.00 C ATOM 1347 O GLY A 85 -0.391-107.307-126.525 1.00 0.00 O ATOM 0 H GLY A 85 0.668-110.597-124.006 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.268-109.682-125.974 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.380-109.834-126.550 1.00 0.00 H new