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 -155:sc= 0.301 USER MOD Set 1.2: A 37 HIS : no HE2:sc= -0.0446 K(o=0.26,f=-0.41) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.059) 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= -0.0466 X(o=-0.047,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -0.229 K(o=-0.23,f=-1.4) USER MOD Single : A 19 TYR OH : rot -43:sc= 0.898 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) USER MOD Single : A 52 GLN : amide:sc= -3.8 K(o=-3.8,f=-5.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0132) 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 161:sc= -0.141 (180deg=-0.484) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 0 10.344-141.888-151.679 1.00 0.00 N ATOM 22 CA HIS A 0 8.888-141.993-151.799 1.00 0.00 C ATOM 23 C HIS A 0 8.206-141.676-150.467 1.00 0.00 C ATOM 24 O HIS A 0 7.304-140.839-150.409 1.00 0.00 O ATOM 25 CB HIS A 0 8.491-143.397-152.271 1.00 0.00 C ATOM 26 CG HIS A 0 8.899-143.696-153.682 1.00 0.00 C ATOM 27 ND1 HIS A 0 10.135-144.210-154.016 1.00 0.00 N ATOM 28 CD2 HIS A 0 8.226-143.550-154.849 1.00 0.00 C ATOM 29 CE1 HIS A 0 10.205-144.367-155.326 1.00 0.00 C ATOM 30 NE2 HIS A 0 9.060-143.975-155.854 1.00 0.00 N ATOM 0 H1 HIS A 0 10.785-142.107-152.595 1.00 0.00 H new ATOM 0 H2 HIS A 0 10.600-140.921-151.394 1.00 0.00 H new ATOM 0 H3 HIS A 0 10.683-142.561-150.962 1.00 0.00 H new ATOM 0 HA HIS A 0 8.556-141.264-152.538 1.00 0.00 H new ATOM 0 HB2 HIS A 0 8.942-144.135-151.608 1.00 0.00 H new ATOM 0 HB3 HIS A 0 7.410-143.508-152.183 1.00 0.00 H new ATOM 0 HD2 HIS A 0 7.222-143.170-154.967 1.00 0.00 H new ATOM 0 HE1 HIS A 0 11.054-144.751-155.872 1.00 0.00 H new ATOM 0 HE2 HIS A 0 8.832-143.986-156.848 1.00 0.00 H new ATOM 39 N MET A 1 8.644-142.351-149.400 1.00 0.00 N ATOM 40 CA MET A 1 8.077-142.143-148.066 1.00 0.00 C ATOM 41 C MET A 1 8.968-141.221-147.234 1.00 0.00 C ATOM 42 O MET A 1 10.185-141.411-147.172 1.00 0.00 O ATOM 43 CB MET A 1 7.897-143.485-147.347 1.00 0.00 C ATOM 44 CG MET A 1 6.829-144.375-147.970 1.00 0.00 C ATOM 45 SD MET A 1 6.633-145.943-147.099 1.00 0.00 S ATOM 46 CE MET A 1 5.364-146.727-148.092 1.00 0.00 C ATOM 0 H MET A 1 9.390-143.046-149.435 1.00 0.00 H new ATOM 0 HA MET A 1 7.102-141.670-148.183 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.848-144.018-147.348 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.638-143.297-146.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.877-143.845-147.973 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.088-144.572-149.010 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.133-147.709-147.679 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.465-146.111-148.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.721-146.839-149.116 1.00 0.00 H new ATOM 56 N SER A 2 8.354-140.223-146.595 1.00 0.00 N ATOM 57 CA SER A 2 9.088-139.267-145.764 1.00 0.00 C ATOM 58 C SER A 2 8.256-138.842-144.554 1.00 0.00 C ATOM 59 O SER A 2 7.035-138.699-144.650 1.00 0.00 O ATOM 60 CB SER A 2 9.479-138.036-146.590 1.00 0.00 C ATOM 61 OG SER A 2 10.375-137.203-145.874 1.00 0.00 O ATOM 0 H SER A 2 7.349-140.056-146.637 1.00 0.00 H new ATOM 0 HA SER A 2 9.993-139.757-145.404 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.941-138.354-147.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.584-137.472-146.853 1.00 0.00 H new ATOM 0 HG SER A 2 10.610-136.426-146.424 1.00 0.00 H new ATOM 67 N ALA A 3 8.926-138.641-143.418 1.00 0.00 N ATOM 68 CA ALA A 3 8.254-138.233-142.185 1.00 0.00 C ATOM 69 C ALA A 3 9.055-137.152-141.455 1.00 0.00 C ATOM 70 O ALA A 3 9.788-137.443-140.506 1.00 0.00 O ATOM 71 CB ALA A 3 8.030-139.439-141.281 1.00 0.00 C ATOM 0 H ALA A 3 9.936-138.755-143.327 1.00 0.00 H new ATOM 0 HA ALA A 3 7.284-137.810-142.448 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.529-139.120-140.367 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.410-140.171-141.798 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.991-139.889-141.030 1.00 0.00 H new ATOM 77 N GLY A 4 8.908-135.906-141.907 1.00 0.00 N ATOM 78 CA GLY A 4 9.619-134.794-141.294 1.00 0.00 C ATOM 79 C GLY A 4 8.759-134.024-140.309 1.00 0.00 C ATOM 80 O GLY A 4 8.006-133.131-140.702 1.00 0.00 O ATOM 0 H GLY A 4 8.307-135.647-142.689 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.503-135.172-140.781 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.968-134.116-142.073 1.00 0.00 H new ATOM 84 N GLU A 5 8.871-134.369-139.024 1.00 0.00 N ATOM 85 CA GLU A 5 8.098-133.705-137.974 1.00 0.00 C ATOM 86 C GLU A 5 8.888-132.542-137.366 1.00 0.00 C ATOM 87 O GLU A 5 10.119-132.579-137.323 1.00 0.00 O ATOM 88 CB GLU A 5 7.716-134.707-136.877 1.00 0.00 C ATOM 89 CG GLU A 5 6.698-135.747-137.323 1.00 0.00 C ATOM 90 CD GLU A 5 6.321-136.711-136.214 1.00 0.00 C ATOM 91 OE1 GLU A 5 5.352-136.422-135.481 1.00 0.00 O ATOM 92 OE2 GLU A 5 6.995-137.754-136.080 1.00 0.00 O ATOM 0 H GLU A 5 9.491-135.105-138.686 1.00 0.00 H new ATOM 0 HA GLU A 5 7.189-133.307-138.425 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.616-135.217-136.534 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.314-134.161-136.023 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.801-135.241-137.680 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.103-136.309-138.165 1.00 0.00 H new ATOM 99 N PRO A 6 8.189-131.489-136.888 1.00 0.00 N ATOM 100 CA PRO A 6 8.839-130.317-136.284 1.00 0.00 C ATOM 101 C PRO A 6 9.357-130.596-134.872 1.00 0.00 C ATOM 102 O PRO A 6 8.731-131.329-134.106 1.00 0.00 O ATOM 103 CB PRO A 6 7.717-129.277-136.252 1.00 0.00 C ATOM 104 CG PRO A 6 6.466-130.079-136.144 1.00 0.00 C ATOM 105 CD PRO A 6 6.716-131.358-136.899 1.00 0.00 C ATOM 0 HA PRO A 6 9.719-130.002-136.845 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.828-128.600-135.405 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.719-128.664-137.153 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.225-130.284-135.101 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.620-129.538-136.566 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.235-132.209-136.416 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.326-131.306-137.916 1.00 0.00 H new ATOM 113 N HIS A 7 10.508-130.005-134.537 1.00 0.00 N ATOM 114 CA HIS A 7 11.116-130.186-133.218 1.00 0.00 C ATOM 115 C HIS A 7 11.787-128.894-132.743 1.00 0.00 C ATOM 116 O HIS A 7 11.468-128.382-131.669 1.00 0.00 O ATOM 117 CB HIS A 7 12.137-131.334-133.255 1.00 0.00 C ATOM 118 CG HIS A 7 12.466-131.905-131.917 1.00 0.00 C ATOM 119 ND1 HIS A 7 13.356-132.942-131.728 1.00 0.00 N ATOM 120 CD2 HIS A 7 12.015-131.574-130.697 1.00 0.00 C ATOM 121 CE1 HIS A 7 13.433-133.221-130.438 1.00 0.00 C ATOM 122 NE2 HIS A 7 12.626-132.402-129.790 1.00 0.00 N ATOM 0 H HIS A 7 11.037-129.397-135.162 1.00 0.00 H new ATOM 0 HA HIS A 7 10.326-130.439-132.511 1.00 0.00 H new ATOM 0 HB2 HIS A 7 11.749-132.129-133.891 1.00 0.00 H new ATOM 0 HB3 HIS A 7 13.055-130.974-133.719 1.00 0.00 H new ATOM 0 HD2 HIS A 7 11.300-130.797-130.470 1.00 0.00 H new ATOM 0 HE1 HIS A 7 14.050-133.987-129.992 1.00 0.00 H new ATOM 0 HE2 HIS A 7 12.481-132.387-128.781 1.00 0.00 H new ATOM 172 N CYS A 11 10.223-123.698-130.461 1.00 0.00 N ATOM 173 CA CYS A 11 10.392-124.201-129.099 1.00 0.00 C ATOM 174 C CYS A 11 9.173-123.914-128.234 1.00 0.00 C ATOM 175 O CYS A 11 9.056-124.438-127.129 1.00 0.00 O ATOM 176 CB CYS A 11 11.639-123.599-128.467 1.00 0.00 C ATOM 177 SG CYS A 11 12.903-124.843-128.038 1.00 0.00 S ATOM 0 HA CYS A 11 10.505-125.283-129.159 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.072-122.873-129.155 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.355-123.054-127.567 1.00 0.00 H new ATOM 0 HG CYS A 11 13.649-124.390-127.074 1.00 0.00 H new ATOM 182 N SER A 12 8.275-123.077-128.742 1.00 0.00 N ATOM 183 CA SER A 12 7.055-122.708-128.018 1.00 0.00 C ATOM 184 C SER A 12 6.446-123.910-127.279 1.00 0.00 C ATOM 185 O SER A 12 6.072-123.793-126.117 1.00 0.00 O ATOM 186 CB SER A 12 6.024-122.116-128.986 1.00 0.00 C ATOM 187 OG SER A 12 5.737-123.014-130.044 1.00 0.00 O ATOM 0 H SER A 12 8.366-122.637-129.658 1.00 0.00 H new ATOM 0 HA SER A 12 7.328-121.960-127.274 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.107-121.882-128.446 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.401-121.178-129.394 1.00 0.00 H new ATOM 0 HG SER A 12 5.076-122.611-130.645 1.00 0.00 H new ATOM 193 N GLU A 13 6.321-125.050-127.967 1.00 0.00 N ATOM 194 CA GLU A 13 5.728-126.255-127.374 1.00 0.00 C ATOM 195 C GLU A 13 6.383-126.614-126.044 1.00 0.00 C ATOM 196 O GLU A 13 5.709-126.684-125.016 1.00 0.00 O ATOM 197 CB GLU A 13 5.817-127.438-128.347 1.00 0.00 C ATOM 198 CG GLU A 13 4.905-127.309-129.559 1.00 0.00 C ATOM 199 CD GLU A 13 5.002-128.500-130.493 1.00 0.00 C ATOM 200 OE1 GLU A 13 4.231-129.465-130.307 1.00 0.00 O ATOM 201 OE2 GLU A 13 5.849-128.468-131.411 1.00 0.00 O ATOM 0 H GLU A 13 6.622-125.164-128.935 1.00 0.00 H new ATOM 0 HA GLU A 13 4.678-126.036-127.178 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.847-127.538-128.689 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.568-128.355-127.813 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.874-127.199-129.223 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.160-126.402-130.106 1.00 0.00 H new ATOM 208 N ILE A 14 7.695-126.822-126.062 1.00 0.00 N ATOM 209 CA ILE A 14 8.431-127.153-124.836 1.00 0.00 C ATOM 210 C ILE A 14 8.525-125.915-123.937 1.00 0.00 C ATOM 211 O ILE A 14 8.495-126.010-122.711 1.00 0.00 O ATOM 212 CB ILE A 14 9.845-127.715-125.141 1.00 0.00 C ATOM 213 CG1 ILE A 14 10.459-128.342-123.880 1.00 0.00 C ATOM 214 CG2 ILE A 14 10.764-126.638-125.712 1.00 0.00 C ATOM 215 CD1 ILE A 14 11.447-129.451-124.171 1.00 0.00 C ATOM 0 H ILE A 14 8.271-126.769-126.902 1.00 0.00 H new ATOM 0 HA ILE A 14 7.881-127.937-124.316 1.00 0.00 H new ATOM 0 HB ILE A 14 9.738-128.492-125.898 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.960-127.563-123.305 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.658-128.736-123.254 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.746-127.067-125.914 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.340-126.251-126.639 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.864-125.826-124.992 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.838-129.845-123.233 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.947-130.249-124.719 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.268-129.059-124.771 1.00 0.00 H new ATOM 227 N LEU A 15 8.613-124.756-124.579 1.00 0.00 N ATOM 228 CA LEU A 15 8.673-123.475-123.894 1.00 0.00 C ATOM 229 C LEU A 15 7.369-123.222-123.133 1.00 0.00 C ATOM 230 O LEU A 15 7.377-122.710-122.012 1.00 0.00 O ATOM 231 CB LEU A 15 8.913-122.396-124.930 1.00 0.00 C ATOM 232 CG LEU A 15 8.773-120.957-124.450 1.00 0.00 C ATOM 233 CD1 LEU A 15 9.452-120.737-123.098 1.00 0.00 C ATOM 234 CD2 LEU A 15 9.358-120.041-125.502 1.00 0.00 C ATOM 0 H LEU A 15 8.645-124.681-125.596 1.00 0.00 H new ATOM 0 HA LEU A 15 9.485-123.471-123.167 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.917-122.526-125.333 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.216-122.551-125.754 1.00 0.00 H new ATOM 0 HG LEU A 15 7.716-120.733-124.305 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.328-119.698-122.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.999-121.390-122.353 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.514-120.966-123.183 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.266-119.005-125.175 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.410-120.283-125.650 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.820-120.174-126.440 1.00 0.00 H new ATOM 246 N ASP A 16 6.256-123.643-123.736 1.00 0.00 N ATOM 247 CA ASP A 16 4.942-123.527-123.107 1.00 0.00 C ATOM 248 C ASP A 16 4.860-124.552-121.980 1.00 0.00 C ATOM 249 O ASP A 16 4.202-124.330-120.963 1.00 0.00 O ATOM 250 CB ASP A 16 3.819-123.755-124.129 1.00 0.00 C ATOM 251 CG ASP A 16 2.456-123.347-123.602 1.00 0.00 C ATOM 252 OD1 ASP A 16 1.748-124.216-123.050 1.00 0.00 O ATOM 253 OD2 ASP A 16 2.097-122.159-123.740 1.00 0.00 O ATOM 0 H ASP A 16 6.240-124.069-124.663 1.00 0.00 H new ATOM 0 HA ASP A 16 4.815-122.521-122.707 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.038-123.190-125.035 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.796-124.808-124.408 1.00 0.00 H new ATOM 258 N HIS A 17 5.583-125.665-122.167 1.00 0.00 N ATOM 259 CA HIS A 17 5.658-126.729-121.170 1.00 0.00 C ATOM 260 C HIS A 17 6.343-126.198-119.915 1.00 0.00 C ATOM 261 O HIS A 17 5.980-126.558-118.796 1.00 0.00 O ATOM 262 CB HIS A 17 6.464-127.919-121.718 1.00 0.00 C ATOM 263 CG HIS A 17 5.659-128.931-122.467 1.00 0.00 C ATOM 264 ND1 HIS A 17 4.652-128.602-123.346 1.00 0.00 N ATOM 265 CD2 HIS A 17 5.736-130.280-122.470 1.00 0.00 C ATOM 266 CE1 HIS A 17 4.136-129.708-123.855 1.00 0.00 C ATOM 267 NE2 HIS A 17 4.778-130.741-123.339 1.00 0.00 N ATOM 0 H HIS A 17 6.127-125.848-123.010 1.00 0.00 H new ATOM 0 HA HIS A 17 4.647-127.061-120.933 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.245-127.538-122.376 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.962-128.416-120.886 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.351-127.653-123.570 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.423-130.883-121.896 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.328-129.758-124.570 1.00 0.00 H new ATOM 276 N LEU A 18 7.336-125.325-120.123 1.00 0.00 N ATOM 277 CA LEU A 18 8.083-124.719-119.023 1.00 0.00 C ATOM 278 C LEU A 18 7.169-123.853-118.161 1.00 0.00 C ATOM 279 O LEU A 18 7.309-123.818-116.937 1.00 0.00 O ATOM 280 CB LEU A 18 9.240-123.872-119.575 1.00 0.00 C ATOM 281 CG LEU A 18 10.641-124.449-119.351 1.00 0.00 C ATOM 282 CD1 LEU A 18 10.921-124.628-117.865 1.00 0.00 C ATOM 283 CD2 LEU A 18 10.811-125.764-120.101 1.00 0.00 C ATOM 0 H LEU A 18 7.639-125.024-121.049 1.00 0.00 H new ATOM 0 HA LEU A 18 8.488-125.518-118.402 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.089-123.735-120.646 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.195-122.884-119.117 1.00 0.00 H new ATOM 0 HG LEU A 18 11.368-123.740-119.747 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.922-125.039-117.730 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.855-123.663-117.363 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.188-125.311-117.436 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.813-126.155-119.927 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.074-126.484-119.745 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.667-125.595-121.168 1.00 0.00 H new ATOM 295 N TYR A 19 6.230-123.157-118.807 1.00 0.00 N ATOM 296 CA TYR A 19 5.298-122.300-118.102 1.00 0.00 C ATOM 297 C TYR A 19 4.170-123.112-117.484 1.00 0.00 C ATOM 298 O TYR A 19 3.884-122.984-116.292 1.00 0.00 O ATOM 299 CB TYR A 19 4.718-121.254-119.044 1.00 0.00 C ATOM 300 CG TYR A 19 4.043-120.122-118.305 1.00 0.00 C ATOM 301 CD1 TYR A 19 2.662-120.078-118.167 1.00 0.00 C ATOM 302 CD2 TYR A 19 4.795-119.118-117.710 1.00 0.00 C ATOM 303 CE1 TYR A 19 2.049-119.063-117.462 1.00 0.00 C ATOM 304 CE2 TYR A 19 4.192-118.098-117.007 1.00 0.00 C ATOM 305 CZ TYR A 19 2.818-118.074-116.883 1.00 0.00 C ATOM 306 OH TYR A 19 2.212-117.060-116.176 1.00 0.00 O ATOM 0 H TYR A 19 6.102-123.176-119.819 1.00 0.00 H new ATOM 0 HA TYR A 19 5.846-121.799-117.304 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.515-120.851-119.670 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.998-121.729-119.711 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.058-120.851-118.619 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.871-119.137-117.800 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.974-119.042-117.364 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.792-117.321-116.555 1.00 0.00 H new ATOM 0 HH TYR A 19 1.423-116.747-116.665 1.00 0.00 H new ATOM 316 N GLU A 20 3.537-123.953-118.302 1.00 0.00 N ATOM 317 CA GLU A 20 2.440-124.801-117.834 1.00 0.00 C ATOM 318 C GLU A 20 2.876-125.582-116.595 1.00 0.00 C ATOM 319 O GLU A 20 2.096-125.782-115.664 1.00 0.00 O ATOM 320 CB GLU A 20 1.992-125.762-118.935 1.00 0.00 C ATOM 321 CG GLU A 20 1.033-125.141-119.942 1.00 0.00 C ATOM 322 CD GLU A 20 -0.393-125.067-119.429 1.00 0.00 C ATOM 323 OE1 GLU A 20 -0.756-124.032-118.830 1.00 0.00 O ATOM 324 OE2 GLU A 20 -1.147-126.043-119.625 1.00 0.00 O ATOM 0 H GLU A 20 3.764-124.065-119.290 1.00 0.00 H new ATOM 0 HA GLU A 20 1.596-124.163-117.573 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.872-126.129-119.464 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.512-126.627-118.476 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.377-124.137-120.192 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.053-125.724-120.863 1.00 0.00 H new ATOM 331 N PHE A 21 4.148-125.992-116.592 1.00 0.00 N ATOM 332 CA PHE A 21 4.739-126.721-115.474 1.00 0.00 C ATOM 333 C PHE A 21 4.753-125.839-114.226 1.00 0.00 C ATOM 334 O PHE A 21 4.330-126.255-113.147 1.00 0.00 O ATOM 335 CB PHE A 21 6.165-127.131-115.850 1.00 0.00 C ATOM 336 CG PHE A 21 6.830-128.067-114.879 1.00 0.00 C ATOM 337 CD1 PHE A 21 7.749-127.584-113.965 1.00 0.00 C ATOM 338 CD2 PHE A 21 6.558-129.428-114.898 1.00 0.00 C ATOM 339 CE1 PHE A 21 8.388-128.432-113.088 1.00 0.00 C ATOM 340 CE2 PHE A 21 7.190-130.285-114.016 1.00 0.00 C ATOM 341 CZ PHE A 21 8.108-129.789-113.112 1.00 0.00 C ATOM 0 H PHE A 21 4.793-125.827-117.365 1.00 0.00 H new ATOM 0 HA PHE A 21 4.149-127.612-115.259 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.145-127.603-116.832 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.774-126.232-115.941 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.969-126.527-113.939 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.846-129.821-115.608 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.106-128.040-112.383 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.966-131.341-114.034 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.607-130.457-112.425 1.00 0.00 H new ATOM 351 N LEU A 22 5.244-124.611-114.404 1.00 0.00 N ATOM 352 CA LEU A 22 5.330-123.627-113.318 1.00 0.00 C ATOM 353 C LEU A 22 3.950-123.314-112.722 1.00 0.00 C ATOM 354 O LEU A 22 3.844-122.988-111.538 1.00 0.00 O ATOM 355 CB LEU A 22 5.979-122.328-113.831 1.00 0.00 C ATOM 356 CG LEU A 22 7.476-122.174-113.525 1.00 0.00 C ATOM 357 CD1 LEU A 22 8.082-121.059-114.369 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.701-121.905-112.041 1.00 0.00 C ATOM 0 H LEU A 22 5.592-124.270-115.300 1.00 0.00 H new ATOM 0 HA LEU A 22 5.946-124.061-112.531 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.839-122.274-114.911 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.448-121.481-113.397 1.00 0.00 H new ATOM 0 HG LEU A 22 7.974-123.110-113.780 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.143-120.964-114.139 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.960-121.295-115.426 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.577-120.119-114.147 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.769-121.800-111.848 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.188-120.986-111.756 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.307-122.737-111.457 1.00 0.00 H new ATOM 370 N ASP A 23 2.899-123.406-113.546 1.00 0.00 N ATOM 371 CA ASP A 23 1.531-123.124-113.097 1.00 0.00 C ATOM 372 C ASP A 23 1.115-124.049-111.951 1.00 0.00 C ATOM 373 O ASP A 23 0.807-123.587-110.851 1.00 0.00 O ATOM 374 CB ASP A 23 0.546-123.254-114.269 1.00 0.00 C ATOM 375 CG ASP A 23 -0.750-122.501-114.030 1.00 0.00 C ATOM 376 OD1 ASP A 23 -1.697-123.106-113.485 1.00 0.00 O ATOM 377 OD2 ASP A 23 -0.817-121.306-114.386 1.00 0.00 O ATOM 0 H ASP A 23 2.970-123.674-114.528 1.00 0.00 H new ATOM 0 HA ASP A 23 1.508-122.100-112.725 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.017-122.879-115.178 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.324-124.308-114.437 1.00 0.00 H new ATOM 382 N LYS A 24 1.113-125.355-112.215 1.00 0.00 N ATOM 383 CA LYS A 24 0.743-126.353-111.211 1.00 0.00 C ATOM 384 C LYS A 24 1.882-126.596-110.219 1.00 0.00 C ATOM 385 O LYS A 24 1.674-127.181-109.156 1.00 0.00 O ATOM 386 CB LYS A 24 0.375-127.673-111.893 1.00 0.00 C ATOM 387 CG LYS A 24 1.548-128.350-112.602 1.00 0.00 C ATOM 388 CD LYS A 24 1.404-128.273-114.115 1.00 0.00 C ATOM 389 CE LYS A 24 0.630-129.460-114.672 1.00 0.00 C ATOM 390 NZ LYS A 24 0.484-129.387-116.153 1.00 0.00 N ATOM 0 H LYS A 24 1.365-125.749-113.121 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.116-125.968-110.662 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.029-128.356-111.146 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.418-127.488-112.618 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.481-127.874-112.299 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.608-129.394-112.294 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.894-127.348-114.385 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.393-128.237-114.573 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.141-130.384-114.403 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.357-129.497-114.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.049-130.214-116.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.027-128.518-116.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.426-129.378-116.595 1.00 0.00 H new ATOM 404 N GLU A 25 3.088-126.155-110.594 1.00 0.00 N ATOM 405 CA GLU A 25 4.288-126.320-109.779 1.00 0.00 C ATOM 406 C GLU A 25 4.386-127.727-109.179 1.00 0.00 C ATOM 407 O GLU A 25 4.436-127.900-107.959 1.00 0.00 O ATOM 408 CB GLU A 25 4.367-125.233-108.692 1.00 0.00 C ATOM 409 CG GLU A 25 3.191-125.215-107.721 1.00 0.00 C ATOM 410 CD GLU A 25 3.432-124.308-106.528 1.00 0.00 C ATOM 411 OE1 GLU A 25 3.096-123.109-106.616 1.00 0.00 O ATOM 412 OE2 GLU A 25 3.958-124.799-105.507 1.00 0.00 O ATOM 0 H GLU A 25 3.256-125.672-111.476 1.00 0.00 H new ATOM 0 HA GLU A 25 5.149-126.200-110.436 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.287-125.372-108.124 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.436-124.259-109.176 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.295-124.886-108.248 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.000-126.229-107.369 1.00 0.00 H new ATOM 419 N MET A 26 4.429-128.726-110.062 1.00 0.00 N ATOM 420 CA MET A 26 4.538-130.127-109.652 1.00 0.00 C ATOM 421 C MET A 26 5.983-130.455-109.260 1.00 0.00 C ATOM 422 O MET A 26 6.878-129.628-109.446 1.00 0.00 O ATOM 423 CB MET A 26 4.068-131.044-110.794 1.00 0.00 C ATOM 424 CG MET A 26 2.691-131.653-110.570 1.00 0.00 C ATOM 425 SD MET A 26 2.178-132.738-111.916 1.00 0.00 S ATOM 426 CE MET A 26 0.577-133.282-111.323 1.00 0.00 C ATOM 0 H MET A 26 4.390-128.589-111.072 1.00 0.00 H new ATOM 0 HA MET A 26 3.901-130.293-108.784 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.055-130.474-111.723 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.793-131.848-110.923 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.696-132.217-109.637 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.959-130.853-110.456 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.132-133.962-112.049 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.698-133.797-110.370 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.074-132.418-111.188 1.00 0.00 H new ATOM 436 N PRO A 27 6.238-131.664-108.702 1.00 0.00 N ATOM 437 CA PRO A 27 7.588-132.079-108.284 1.00 0.00 C ATOM 438 C PRO A 27 8.659-131.801-109.345 1.00 0.00 C ATOM 439 O PRO A 27 8.344-131.517-110.501 1.00 0.00 O ATOM 440 CB PRO A 27 7.432-133.584-108.057 1.00 0.00 C ATOM 441 CG PRO A 27 6.009-133.755-107.660 1.00 0.00 C ATOM 442 CD PRO A 27 5.234-132.716-108.426 1.00 0.00 C ATOM 0 HA PRO A 27 7.927-131.527-107.407 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.662-134.148-108.961 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.107-133.940-107.279 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.656-134.758-107.898 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.885-133.620-106.586 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.818-133.125-109.347 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.398-132.329-107.843 1.00 0.00 H new ATOM 450 N ASP A 28 9.927-131.890-108.937 1.00 0.00 N ATOM 451 CA ASP A 28 11.063-131.651-109.835 1.00 0.00 C ATOM 452 C ASP A 28 11.410-132.896-110.655 1.00 0.00 C ATOM 453 O ASP A 28 12.542-133.053-111.119 1.00 0.00 O ATOM 454 CB ASP A 28 12.279-131.220-109.022 1.00 0.00 C ATOM 455 CG ASP A 28 13.229-130.335-109.810 1.00 0.00 C ATOM 456 OD1 ASP A 28 14.301-130.830-110.218 1.00 0.00 O ATOM 457 OD2 ASP A 28 12.899-129.149-110.019 1.00 0.00 O ATOM 0 H ASP A 28 10.196-132.128-107.982 1.00 0.00 H new ATOM 0 HA ASP A 28 10.778-130.861-110.529 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.945-130.686-108.133 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.814-132.106-108.680 1.00 0.00 H new ATOM 462 N SER A 29 10.430-133.771-110.835 1.00 0.00 N ATOM 463 CA SER A 29 10.612-135.003-111.601 1.00 0.00 C ATOM 464 C SER A 29 10.574-134.725-113.098 1.00 0.00 C ATOM 465 O SER A 29 11.567-134.937-113.797 1.00 0.00 O ATOM 466 CB SER A 29 9.504-135.990-111.238 1.00 0.00 C ATOM 467 OG SER A 29 9.582-137.168-112.021 1.00 0.00 O ATOM 0 H SER A 29 9.490-133.651-110.458 1.00 0.00 H new ATOM 0 HA SER A 29 11.586-135.425-111.354 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.577-136.248-110.182 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.532-135.518-111.384 1.00 0.00 H new ATOM 0 HG SER A 29 8.861-137.780-111.764 1.00 0.00 H new ATOM 473 N ASP A 30 9.436-134.224-113.585 1.00 0.00 N ATOM 474 CA ASP A 30 9.303-133.893-114.999 1.00 0.00 C ATOM 475 C ASP A 30 10.297-132.790-115.325 1.00 0.00 C ATOM 476 O ASP A 30 11.030-132.871-116.311 1.00 0.00 O ATOM 477 CB ASP A 30 7.870-133.451-115.333 1.00 0.00 C ATOM 478 CG ASP A 30 7.179-134.395-116.299 1.00 0.00 C ATOM 479 OD1 ASP A 30 7.271-134.165-117.522 1.00 0.00 O ATOM 480 OD2 ASP A 30 6.546-135.365-115.831 1.00 0.00 O ATOM 0 H ASP A 30 8.603-134.041-113.025 1.00 0.00 H new ATOM 0 HA ASP A 30 9.514-134.776-115.603 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.289-133.389-114.413 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.893-132.450-115.763 1.00 0.00 H new ATOM 485 N ALA A 31 10.308-131.759-114.470 1.00 0.00 N ATOM 486 CA ALA A 31 11.205-130.615-114.618 1.00 0.00 C ATOM 487 C ALA A 31 12.554-131.022-115.209 1.00 0.00 C ATOM 488 O ALA A 31 13.074-130.342-116.090 1.00 0.00 O ATOM 489 CB ALA A 31 11.411-129.922-113.274 1.00 0.00 C ATOM 0 H ALA A 31 9.694-131.698-113.658 1.00 0.00 H new ATOM 0 HA ALA A 31 10.733-129.920-115.313 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.082-129.072-113.402 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.451-129.573-112.894 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.848-130.625-112.565 1.00 0.00 H new ATOM 495 N VAL A 32 13.135-132.118-114.696 1.00 0.00 N ATOM 496 CA VAL A 32 14.443-132.619-115.134 1.00 0.00 C ATOM 497 C VAL A 32 14.645-132.681-116.662 1.00 0.00 C ATOM 498 O VAL A 32 15.788-132.738-117.118 1.00 0.00 O ATOM 499 CB VAL A 32 14.701-134.024-114.523 1.00 0.00 C ATOM 500 CG1 VAL A 32 14.117-135.131-115.398 1.00 0.00 C ATOM 501 CG2 VAL A 32 16.190-134.246-114.287 1.00 0.00 C ATOM 0 H VAL A 32 12.707-132.683-113.962 1.00 0.00 H new ATOM 0 HA VAL A 32 15.164-131.887-114.771 1.00 0.00 H new ATOM 0 HB VAL A 32 14.192-134.064-113.560 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.316-136.100-114.940 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.041-134.989-115.494 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.577-135.095-116.386 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.347-135.236-113.859 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.724-134.172-115.235 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.566-133.489-113.599 1.00 0.00 H new ATOM 511 N LYS A 33 13.568-132.638-117.456 1.00 0.00 N ATOM 512 CA LYS A 33 13.697-132.658-118.915 1.00 0.00 C ATOM 513 C LYS A 33 13.758-131.231-119.469 1.00 0.00 C ATOM 514 O LYS A 33 13.754-131.020-120.684 1.00 0.00 O ATOM 515 CB LYS A 33 12.528-133.430-119.545 1.00 0.00 C ATOM 516 CG LYS A 33 12.842-134.004-120.922 1.00 0.00 C ATOM 517 CD LYS A 33 11.675-134.813-121.474 1.00 0.00 C ATOM 518 CE LYS A 33 11.978-135.366-122.861 1.00 0.00 C ATOM 519 NZ LYS A 33 12.892-136.542-122.807 1.00 0.00 N ATOM 0 H LYS A 33 12.608-132.590-117.116 1.00 0.00 H new ATOM 0 HA LYS A 33 14.626-133.166-119.173 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.241-134.244-118.879 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.668-132.766-119.626 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.079-133.192-121.609 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.727-134.638-120.859 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.450-135.636-120.796 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.786-134.184-121.519 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.046-135.653-123.348 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.429-134.584-123.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.072-136.887-123.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.791-136.263-122.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.451-137.299-122.246 1.00 0.00 H new ATOM 533 N PHE A 34 13.841-130.263-118.558 1.00 0.00 N ATOM 534 CA PHE A 34 13.933-128.858-118.910 1.00 0.00 C ATOM 535 C PHE A 34 15.392-128.404-118.876 1.00 0.00 C ATOM 536 O PHE A 34 15.792-127.515-119.628 1.00 0.00 O ATOM 537 CB PHE A 34 13.092-128.017-117.948 1.00 0.00 C ATOM 538 CG PHE A 34 11.597-128.241-118.039 1.00 0.00 C ATOM 539 CD1 PHE A 34 11.023-128.960-119.089 1.00 0.00 C ATOM 540 CD2 PHE A 34 10.762-127.718-117.067 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.652-129.143-119.154 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.397-127.900-117.129 1.00 0.00 C ATOM 543 CZ PHE A 34 8.839-128.611-118.171 1.00 0.00 C ATOM 0 H PHE A 34 13.846-130.438-117.553 1.00 0.00 H new ATOM 0 HA PHE A 34 13.547-128.721-119.920 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.414-128.228-116.928 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.298-126.963-118.136 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.655-129.378-119.859 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.187-127.158-116.247 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.219-129.700-119.971 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.763-127.485-116.360 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.769-128.752-118.219 1.00 0.00 H new ATOM 553 N GLU A 35 16.186-129.036-117.999 1.00 0.00 N ATOM 554 CA GLU A 35 17.607-128.713-117.868 1.00 0.00 C ATOM 555 C GLU A 35 18.370-129.076-119.143 1.00 0.00 C ATOM 556 O GLU A 35 19.391-128.464-119.458 1.00 0.00 O ATOM 557 CB GLU A 35 18.217-129.446-116.667 1.00 0.00 C ATOM 558 CG GLU A 35 17.670-128.984-115.324 1.00 0.00 C ATOM 559 CD GLU A 35 18.334-129.679-114.151 1.00 0.00 C ATOM 560 OE1 GLU A 35 19.365-129.168-113.664 1.00 0.00 O ATOM 561 OE2 GLU A 35 17.823-130.733-113.718 1.00 0.00 O ATOM 0 H GLU A 35 15.864-129.773-117.372 1.00 0.00 H new ATOM 0 HA GLU A 35 17.693-127.638-117.707 1.00 0.00 H new ATOM 0 HB2 GLU A 35 18.035-130.515-116.775 1.00 0.00 H new ATOM 0 HB3 GLU A 35 19.298-129.304-116.677 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.811-127.907-115.230 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.596-129.169-115.290 1.00 0.00 H new ATOM 568 N HIS A 36 17.862-130.072-119.882 1.00 0.00 N ATOM 569 CA HIS A 36 18.493-130.507-121.130 1.00 0.00 C ATOM 570 C HIS A 36 18.437-129.406-122.198 1.00 0.00 C ATOM 571 O HIS A 36 19.206-129.428-123.160 1.00 0.00 O ATOM 572 CB HIS A 36 17.816-131.781-121.653 1.00 0.00 C ATOM 573 CG HIS A 36 18.661-132.565-122.612 1.00 0.00 C ATOM 574 ND1 HIS A 36 19.617-133.473-122.205 1.00 0.00 N ATOM 575 CD2 HIS A 36 18.690-132.573-123.967 1.00 0.00 C ATOM 576 CE1 HIS A 36 20.197-134.004-123.268 1.00 0.00 C ATOM 577 NE2 HIS A 36 19.652-133.475-124.347 1.00 0.00 N ATOM 0 H HIS A 36 17.018-130.589-119.636 1.00 0.00 H new ATOM 0 HA HIS A 36 19.541-130.719-120.917 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.558-132.418-120.807 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.882-131.509-122.145 1.00 0.00 H new ATOM 0 HD2 HIS A 36 18.072-131.980-124.625 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.983-134.745-123.255 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.905-133.700-125.309 1.00 0.00 H new ATOM 586 N HIS A 37 17.516-128.448-122.026 1.00 0.00 N ATOM 587 CA HIS A 37 17.353-127.344-122.977 1.00 0.00 C ATOM 588 C HIS A 37 18.491-126.313-122.887 1.00 0.00 C ATOM 589 O HIS A 37 18.533-125.372-123.683 1.00 0.00 O ATOM 590 CB HIS A 37 16.005-126.646-122.753 1.00 0.00 C ATOM 591 CG HIS A 37 15.717-125.562-123.749 1.00 0.00 C ATOM 592 ND1 HIS A 37 15.738-124.221-123.429 1.00 0.00 N ATOM 593 CD2 HIS A 37 15.429-125.627-125.068 1.00 0.00 C ATOM 594 CE1 HIS A 37 15.475-123.510-124.512 1.00 0.00 C ATOM 595 NE2 HIS A 37 15.284-124.340-125.520 1.00 0.00 N ATOM 0 H HIS A 37 16.872-128.417-121.235 1.00 0.00 H new ATOM 0 HA HIS A 37 17.385-127.780-123.976 1.00 0.00 H new ATOM 0 HB2 HIS A 37 15.209-127.389-122.797 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.988-126.220-121.750 1.00 0.00 H new ATOM 0 HD1 HIS A 37 15.927-123.838-122.503 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.331-126.527-125.658 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.425-122.432-124.563 1.00 0.00 H new ATOM 603 N PHE A 38 19.420-126.487-121.941 1.00 0.00 N ATOM 604 CA PHE A 38 20.553-125.567-121.782 1.00 0.00 C ATOM 605 C PHE A 38 21.701-125.933-122.729 1.00 0.00 C ATOM 606 O PHE A 38 22.732-125.257-122.773 1.00 0.00 O ATOM 607 CB PHE A 38 21.067-125.653-120.352 1.00 0.00 C ATOM 608 CG PHE A 38 20.610-124.528-119.458 1.00 0.00 C ATOM 609 CD1 PHE A 38 19.563-124.717-118.568 1.00 0.00 C ATOM 610 CD2 PHE A 38 21.225-123.286-119.500 1.00 0.00 C ATOM 611 CE1 PHE A 38 19.142-123.699-117.744 1.00 0.00 C ATOM 612 CE2 PHE A 38 20.805-122.263-118.678 1.00 0.00 C ATOM 613 CZ PHE A 38 19.764-122.472-117.799 1.00 0.00 C ATOM 0 H PHE A 38 19.410-127.257-121.273 1.00 0.00 H new ATOM 0 HA PHE A 38 20.209-124.559-122.015 1.00 0.00 H new ATOM 0 HB2 PHE A 38 20.744-126.600-119.919 1.00 0.00 H new ATOM 0 HB3 PHE A 38 22.157-125.667-120.371 1.00 0.00 H new ATOM 0 HD1 PHE A 38 19.071-125.677-118.521 1.00 0.00 H new ATOM 0 HD2 PHE A 38 22.043-123.118-120.185 1.00 0.00 H new ATOM 0 HE1 PHE A 38 18.326-123.862-117.056 1.00 0.00 H new ATOM 0 HE2 PHE A 38 21.290-121.299-118.722 1.00 0.00 H new ATOM 0 HZ PHE A 38 19.436-121.672-117.152 1.00 0.00 H new ATOM 623 N GLU A 39 21.499-127.006-123.477 1.00 0.00 N ATOM 624 CA GLU A 39 22.484-127.498-124.436 1.00 0.00 C ATOM 625 C GLU A 39 22.693-126.495-125.580 1.00 0.00 C ATOM 626 O GLU A 39 23.508-125.578-125.458 1.00 0.00 O ATOM 627 CB GLU A 39 22.061-128.868-124.974 1.00 0.00 C ATOM 628 CG GLU A 39 22.437-130.030-124.064 1.00 0.00 C ATOM 629 CD GLU A 39 23.899-130.419-124.177 1.00 0.00 C ATOM 630 OE1 GLU A 39 24.717-129.887-123.396 1.00 0.00 O ATOM 631 OE2 GLU A 39 24.227-131.253-125.047 1.00 0.00 O ATOM 0 H GLU A 39 20.646-127.564-123.438 1.00 0.00 H new ATOM 0 HA GLU A 39 23.438-127.610-123.921 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.981-128.871-125.124 1.00 0.00 H new ATOM 0 HB3 GLU A 39 22.519-129.021-125.951 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.216-129.762-123.031 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.817-130.892-124.309 1.00 0.00 H new ATOM 801 N GLU A 51 14.805-117.775-120.209 1.00 0.00 N ATOM 802 CA GLU A 51 15.653-117.751-119.006 1.00 0.00 C ATOM 803 C GLU A 51 14.830-117.869-117.718 1.00 0.00 C ATOM 804 O GLU A 51 15.143-118.679-116.849 1.00 0.00 O ATOM 805 CB GLU A 51 16.488-116.464-118.971 1.00 0.00 C ATOM 806 CG GLU A 51 17.613-116.435-119.997 1.00 0.00 C ATOM 807 CD GLU A 51 18.437-115.163-119.925 1.00 0.00 C ATOM 808 OE1 GLU A 51 18.094-114.191-120.630 1.00 0.00 O ATOM 809 OE2 GLU A 51 19.427-115.140-119.163 1.00 0.00 O ATOM 0 HA GLU A 51 16.313-118.617-119.059 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.831-115.611-119.141 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.914-116.345-117.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.265-117.295-119.840 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.190-116.533-120.997 1.00 0.00 H new ATOM 816 N GLN A 52 13.785-117.049-117.606 1.00 0.00 N ATOM 817 CA GLN A 52 12.909-117.043-116.429 1.00 0.00 C ATOM 818 C GLN A 52 12.538-118.457-115.965 1.00 0.00 C ATOM 819 O GLN A 52 12.932-118.892-114.882 1.00 0.00 O ATOM 820 CB GLN A 52 11.637-116.258-116.739 1.00 0.00 C ATOM 821 CG GLN A 52 10.563-116.379-115.673 1.00 0.00 C ATOM 822 CD GLN A 52 9.783-115.096-115.469 1.00 0.00 C ATOM 823 OE1 GLN A 52 10.327-114.094-115.005 1.00 0.00 O ATOM 824 NE2 GLN A 52 8.499-115.119-115.814 1.00 0.00 N ATOM 0 H GLN A 52 13.521-116.373-118.323 1.00 0.00 H new ATOM 0 HA GLN A 52 13.461-116.568-115.618 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.893-115.206-116.865 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.231-116.603-117.690 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.873-117.177-115.949 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.026-116.670-114.730 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.088-115.971-116.195 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.925-114.284-115.698 1.00 0.00 H new ATOM 833 N ALA A 53 11.742-119.140-116.782 1.00 0.00 N ATOM 834 CA ALA A 53 11.255-120.489-116.471 1.00 0.00 C ATOM 835 C ALA A 53 12.366-121.516-116.208 1.00 0.00 C ATOM 836 O ALA A 53 12.158-122.453-115.436 1.00 0.00 O ATOM 837 CB ALA A 53 10.349-120.983-117.591 1.00 0.00 C ATOM 0 H ALA A 53 11.414-118.779-117.678 1.00 0.00 H new ATOM 0 HA ALA A 53 10.701-120.400-115.537 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.991-121.985-117.354 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.499-120.309-117.695 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.908-121.009-118.526 1.00 0.00 H new ATOM 843 N VAL A 54 13.531-121.369-116.851 1.00 0.00 N ATOM 844 CA VAL A 54 14.622-122.329-116.662 1.00 0.00 C ATOM 845 C VAL A 54 15.537-121.959-115.492 1.00 0.00 C ATOM 846 O VAL A 54 16.010-122.840-114.773 1.00 0.00 O ATOM 847 CB VAL A 54 15.468-122.510-117.947 1.00 0.00 C ATOM 848 CG1 VAL A 54 14.739-123.398-118.948 1.00 0.00 C ATOM 849 CG2 VAL A 54 15.836-121.172-118.578 1.00 0.00 C ATOM 0 H VAL A 54 13.740-120.607-117.496 1.00 0.00 H new ATOM 0 HA VAL A 54 14.137-123.276-116.426 1.00 0.00 H new ATOM 0 HB VAL A 54 16.399-122.999-117.660 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.349-123.513-119.844 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.559-124.377-118.503 1.00 0.00 H new ATOM 0 HG13 VAL A 54 13.786-122.940-119.214 1.00 0.00 H new ATOM 0 HG21 VAL A 54 16.429-121.344-119.476 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.927-120.632-118.841 1.00 0.00 H new ATOM 0 HG23 VAL A 54 16.416-120.582-117.868 1.00 0.00 H new ATOM 859 N LYS A 55 15.784-120.666-115.296 1.00 0.00 N ATOM 860 CA LYS A 55 16.639-120.208-114.201 1.00 0.00 C ATOM 861 C LYS A 55 16.014-120.559-112.846 1.00 0.00 C ATOM 862 O LYS A 55 16.716-120.915-111.898 1.00 0.00 O ATOM 863 CB LYS A 55 16.869-118.693-114.301 1.00 0.00 C ATOM 864 CG LYS A 55 18.107-118.207-113.561 1.00 0.00 C ATOM 865 CD LYS A 55 19.376-118.450-114.369 1.00 0.00 C ATOM 866 CE LYS A 55 20.616-117.974-113.625 1.00 0.00 C ATOM 867 NZ LYS A 55 21.862-118.200-114.411 1.00 0.00 N ATOM 0 H LYS A 55 15.406-119.918-115.878 1.00 0.00 H new ATOM 0 HA LYS A 55 17.600-120.715-114.281 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.954-118.417-115.352 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.995-118.176-113.905 1.00 0.00 H new ATOM 0 HG2 LYS A 55 18.009-117.143-113.348 1.00 0.00 H new ATOM 0 HG3 LYS A 55 18.182-118.719-112.602 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.469-119.513-114.589 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.304-117.932-115.325 1.00 0.00 H new ATOM 0 HE2 LYS A 55 20.518-116.912-113.399 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.689-118.497-112.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.682-117.862-113.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.971-119.216-114.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.804-117.680-115.310 1.00 0.00 H new ATOM 881 N LYS A 56 14.687-120.450-112.773 1.00 0.00 N ATOM 882 CA LYS A 56 13.932-120.743-111.555 1.00 0.00 C ATOM 883 C LYS A 56 13.980-122.227-111.184 1.00 0.00 C ATOM 884 O LYS A 56 14.329-122.586-110.059 1.00 0.00 O ATOM 885 CB LYS A 56 12.475-120.326-111.747 1.00 0.00 C ATOM 886 CG LYS A 56 12.184-118.866-111.412 1.00 0.00 C ATOM 887 CD LYS A 56 12.865-118.420-110.125 1.00 0.00 C ATOM 888 CE LYS A 56 12.275-117.120-109.595 1.00 0.00 C ATOM 889 NZ LYS A 56 13.203-116.425-108.659 1.00 0.00 N ATOM 0 H LYS A 56 14.105-120.156-113.557 1.00 0.00 H new ATOM 0 HA LYS A 56 14.393-120.180-110.743 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.191-120.511-112.783 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.844-120.961-111.125 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.518-118.234-112.235 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.107-118.725-111.318 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.763-119.200-109.370 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.932-118.288-110.305 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.042-116.460-110.431 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.335-117.330-109.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.736-115.581-108.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.459-117.068-107.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.063-116.140-109.170 1.00 0.00 H new ATOM 903 N LEU A 57 13.612-123.074-112.143 1.00 0.00 N ATOM 904 CA LEU A 57 13.591-124.522-111.938 1.00 0.00 C ATOM 905 C LEU A 57 14.958-125.037-111.478 1.00 0.00 C ATOM 906 O LEU A 57 15.045-125.853-110.560 1.00 0.00 O ATOM 907 CB LEU A 57 13.129-125.231-113.215 1.00 0.00 C ATOM 908 CG LEU A 57 14.227-125.546-114.228 1.00 0.00 C ATOM 909 CD1 LEU A 57 14.936-126.852-113.881 1.00 0.00 C ATOM 910 CD2 LEU A 57 13.659-125.598-115.636 1.00 0.00 C ATOM 0 H LEU A 57 13.322-122.780-113.076 1.00 0.00 H new ATOM 0 HA LEU A 57 12.878-124.747-111.145 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.640-126.164-112.935 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.377-124.610-113.702 1.00 0.00 H new ATOM 0 HG LEU A 57 14.964-124.744-114.186 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.713-127.051-114.619 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.387-126.769-112.892 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.215-127.669-113.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.458-125.824-116.342 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.895-126.374-115.692 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.216-124.634-115.885 1.00 0.00 H new ATOM 922 N VAL A 58 16.017-124.545-112.119 1.00 0.00 N ATOM 923 CA VAL A 58 17.384-124.944-111.776 1.00 0.00 C ATOM 924 C VAL A 58 17.758-124.477-110.366 1.00 0.00 C ATOM 925 O VAL A 58 18.375-125.221-109.602 1.00 0.00 O ATOM 926 CB VAL A 58 18.411-124.396-112.793 1.00 0.00 C ATOM 927 CG1 VAL A 58 19.842-124.651-112.329 1.00 0.00 C ATOM 928 CG2 VAL A 58 18.178-124.999-114.174 1.00 0.00 C ATOM 0 H VAL A 58 15.956-123.868-112.880 1.00 0.00 H new ATOM 0 HA VAL A 58 17.413-126.033-111.809 1.00 0.00 H new ATOM 0 HB VAL A 58 18.269-123.317-112.859 1.00 0.00 H new ATOM 0 HG11 VAL A 58 20.540-124.254-113.066 1.00 0.00 H new ATOM 0 HG12 VAL A 58 20.007-124.158-111.371 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.003-125.723-112.218 1.00 0.00 H new ATOM 0 HG21 VAL A 58 18.912-124.599-114.874 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.281-126.083-114.120 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.175-124.746-114.517 1.00 0.00 H new ATOM 938 N LYS A 59 17.375-123.244-110.029 1.00 0.00 N ATOM 939 CA LYS A 59 17.664-122.676-108.710 1.00 0.00 C ATOM 940 C LYS A 59 16.884-123.399-107.611 1.00 0.00 C ATOM 941 O LYS A 59 17.404-123.622-106.516 1.00 0.00 O ATOM 942 CB LYS A 59 17.340-121.182-108.688 1.00 0.00 C ATOM 943 CG LYS A 59 18.454-120.304-109.244 1.00 0.00 C ATOM 944 CD LYS A 59 18.621-119.026-108.433 1.00 0.00 C ATOM 945 CE LYS A 59 19.704-118.128-109.015 1.00 0.00 C ATOM 946 NZ LYS A 59 19.869-116.872-108.230 1.00 0.00 N ATOM 0 H LYS A 59 16.863-122.619-110.652 1.00 0.00 H new ATOM 0 HA LYS A 59 18.728-122.811-108.516 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.431-121.008-109.264 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.130-120.880-107.662 1.00 0.00 H new ATOM 0 HG2 LYS A 59 19.391-120.861-109.243 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.235-120.051-110.281 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.675-118.485-108.407 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.872-119.279-107.403 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.650-118.669-109.037 1.00 0.00 H new ATOM 0 HE3 LYS A 59 19.454-117.881-110.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 20.616-116.290-108.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.974-116.343-108.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.133-117.106-107.252 1.00 0.00 H new ATOM 960 N ARG A 60 15.636-123.767-107.911 1.00 0.00 N ATOM 961 CA ARG A 60 14.784-124.467-106.955 1.00 0.00 C ATOM 962 C ARG A 60 15.257-125.905-106.763 1.00 0.00 C ATOM 963 O ARG A 60 15.863-126.238-105.742 1.00 0.00 O ATOM 964 CB ARG A 60 13.332-124.455-107.430 1.00 0.00 C ATOM 965 CG ARG A 60 12.766-123.064-107.657 1.00 0.00 C ATOM 966 CD ARG A 60 11.659-122.728-106.667 1.00 0.00 C ATOM 967 NE ARG A 60 10.417-123.451-106.958 1.00 0.00 N ATOM 968 CZ ARG A 60 9.293-123.326-106.247 1.00 0.00 C ATOM 969 NH1 ARG A 60 9.241-122.506-105.200 1.00 0.00 N ATOM 970 NH2 ARG A 60 8.215-124.023-106.586 1.00 0.00 N ATOM 0 H ARG A 60 15.194-123.589-108.813 1.00 0.00 H new ATOM 0 HA ARG A 60 14.848-123.949-105.998 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.260-125.021-108.359 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.716-124.971-106.694 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.566-122.329-107.569 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.377-122.992-108.673 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.991-122.971-105.658 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.467-121.655-106.690 1.00 0.00 H new ATOM 0 HE ARG A 60 10.411-124.090-107.753 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.064-121.966-104.934 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.378-122.418-104.664 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.246-124.652-107.388 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.356-123.929-106.044 1.00 0.00 H new ATOM 1101 N LEU A 71 7.720-113.727-103.892 1.00 0.00 N ATOM 1102 CA LEU A 71 7.993-113.019-105.141 1.00 0.00 C ATOM 1103 C LEU A 71 8.070-114.001-106.307 1.00 0.00 C ATOM 1104 O LEU A 71 7.466-113.768-107.349 1.00 0.00 O ATOM 1105 CB LEU A 71 9.276-112.200-105.032 1.00 0.00 C ATOM 1106 CG LEU A 71 9.373-111.002-105.980 1.00 0.00 C ATOM 1107 CD1 LEU A 71 9.783-111.446-107.375 1.00 0.00 C ATOM 1108 CD2 LEU A 71 8.048-110.272-106.030 1.00 0.00 C ATOM 0 HA LEU A 71 7.171-112.329-105.330 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.371-111.840-104.008 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.124-112.859-105.218 1.00 0.00 H new ATOM 0 HG LEU A 71 10.138-110.325-105.601 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.845-110.577-108.030 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.755-111.936-107.330 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.043-112.144-107.767 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.127-109.421-106.707 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.273-110.950-106.387 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.789-109.919-105.032 1.00 0.00 H new ATOM 1120 N ARG A 72 8.815-115.095-106.123 1.00 0.00 N ATOM 1121 CA ARG A 72 8.960-116.120-107.165 1.00 0.00 C ATOM 1122 C ARG A 72 7.625-116.326-107.871 1.00 0.00 C ATOM 1123 O ARG A 72 7.550-116.347-109.100 1.00 0.00 O ATOM 1124 CB ARG A 72 9.436-117.452-106.568 1.00 0.00 C ATOM 1125 CG ARG A 72 10.572-117.308-105.564 1.00 0.00 C ATOM 1126 CD ARG A 72 11.693-118.304-105.831 1.00 0.00 C ATOM 1127 NE ARG A 72 12.882-118.027-105.022 1.00 0.00 N ATOM 1128 CZ ARG A 72 14.028-118.709-105.115 1.00 0.00 C ATOM 1129 NH1 ARG A 72 14.150-119.713-105.981 1.00 0.00 N ATOM 1130 NH2 ARG A 72 15.055-118.385-104.340 1.00 0.00 N ATOM 0 H ARG A 72 9.327-115.295-105.264 1.00 0.00 H new ATOM 0 HA ARG A 72 9.708-115.777-107.880 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.593-117.942-106.080 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.760-118.106-107.377 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.969-116.294-105.607 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.187-117.456-104.555 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.339-119.313-105.620 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.959-118.274-106.888 1.00 0.00 H new ATOM 0 HE ARG A 72 12.833-117.266-104.345 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.365-119.968-106.581 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.028-120.228-106.045 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.969-117.617-103.675 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.930-118.904-104.410 1.00 0.00 H new ATOM 1144 N ALA A 73 6.575-116.483-107.064 1.00 0.00 N ATOM 1145 CA ALA A 73 5.225-116.692-107.569 1.00 0.00 C ATOM 1146 C ALA A 73 4.792-115.552-108.493 1.00 0.00 C ATOM 1147 O ALA A 73 4.032-115.760-109.440 1.00 0.00 O ATOM 1148 CB ALA A 73 4.241-116.844-106.416 1.00 0.00 C ATOM 0 H ALA A 73 6.640-116.468-106.046 1.00 0.00 H new ATOM 0 HA ALA A 73 5.227-117.613-108.152 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.237-116.999-106.812 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.526-117.700-105.805 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.254-115.941-105.805 1.00 0.00 H new ATOM 1154 N LYS A 74 5.293-114.349-108.208 1.00 0.00 N ATOM 1155 CA LYS A 74 4.980-113.159-109.001 1.00 0.00 C ATOM 1156 C LYS A 74 5.920-113.013-110.206 1.00 0.00 C ATOM 1157 O LYS A 74 5.619-112.272-111.143 1.00 0.00 O ATOM 1158 CB LYS A 74 5.051-111.915-108.120 1.00 0.00 C ATOM 1159 CG LYS A 74 3.742-111.583-107.414 1.00 0.00 C ATOM 1160 CD LYS A 74 3.342-112.671-106.425 1.00 0.00 C ATOM 1161 CE LYS A 74 2.153-112.251-105.572 1.00 0.00 C ATOM 1162 NZ LYS A 74 2.548-111.316-104.480 1.00 0.00 N ATOM 0 H LYS A 74 5.923-114.172-107.426 1.00 0.00 H new ATOM 0 HA LYS A 74 3.968-113.272-109.389 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.831-112.056-107.371 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.348-111.064-108.733 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.843-110.633-106.889 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.952-111.456-108.154 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.095-113.583-106.968 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.188-112.904-105.779 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.405-111.773-106.204 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.687-113.136-105.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.708-111.056-103.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.243-111.780-103.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.969-110.459-104.892 1.00 0.00 H new ATOM 1176 N VAL A 75 7.045-113.733-110.183 1.00 0.00 N ATOM 1177 CA VAL A 75 8.017-113.702-111.269 1.00 0.00 C ATOM 1178 C VAL A 75 7.451-114.358-112.521 1.00 0.00 C ATOM 1179 O VAL A 75 7.767-113.963-113.642 1.00 0.00 O ATOM 1180 CB VAL A 75 9.297-114.445-110.871 1.00 0.00 C ATOM 1181 CG1 VAL A 75 10.314-114.411-111.991 1.00 0.00 C ATOM 1182 CG2 VAL A 75 9.872-113.871-109.595 1.00 0.00 C ATOM 0 H VAL A 75 7.303-114.350-109.413 1.00 0.00 H new ATOM 0 HA VAL A 75 8.244-112.656-111.473 1.00 0.00 H new ATOM 0 HB VAL A 75 9.042-115.489-110.687 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.213-114.945-111.683 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.895-114.887-112.878 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.568-113.376-112.221 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.780-114.412-109.329 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.108-112.817-109.744 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.143-113.969-108.791 1.00 0.00 H new ATOM 1192 N MET A 76 6.597-115.350-112.301 1.00 0.00 N ATOM 1193 CA MET A 76 5.945-116.083-113.385 1.00 0.00 C ATOM 1194 C MET A 76 5.137-115.153-114.302 1.00 0.00 C ATOM 1195 O MET A 76 4.958-115.452-115.482 1.00 0.00 O ATOM 1196 CB MET A 76 5.020-117.159-112.802 1.00 0.00 C ATOM 1197 CG MET A 76 5.749-118.409-112.327 1.00 0.00 C ATOM 1198 SD MET A 76 4.803-119.349-111.108 1.00 0.00 S ATOM 1199 CE MET A 76 3.372-119.827-112.075 1.00 0.00 C ATOM 0 H MET A 76 6.336-115.670-111.369 1.00 0.00 H new ATOM 0 HA MET A 76 6.727-116.547-113.985 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.466-116.733-111.965 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.288-117.443-113.558 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.964-119.047-113.184 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.708-118.123-111.894 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.873-120.668-111.594 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.682-118.986-112.144 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.690-120.118-113.076 1.00 0.00 H new ATOM 1209 N GLY A 77 4.643-114.031-113.761 1.00 0.00 N ATOM 1210 CA GLY A 77 3.854-113.102-114.566 1.00 0.00 C ATOM 1211 C GLY A 77 4.628-112.463-115.715 1.00 0.00 C ATOM 1212 O GLY A 77 4.022-112.028-116.695 1.00 0.00 O ATOM 0 H GLY A 77 4.774-113.752-112.789 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.992-113.631-114.972 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.468-112.314-113.919 1.00 0.00 H new ATOM 1216 N ARG A 78 5.963-112.410-115.612 1.00 0.00 N ATOM 1217 CA ARG A 78 6.791-111.824-116.679 1.00 0.00 C ATOM 1218 C ARG A 78 6.708-112.671-117.952 1.00 0.00 C ATOM 1219 O ARG A 78 6.961-112.183-119.054 1.00 0.00 O ATOM 1220 CB ARG A 78 8.252-111.652-116.199 1.00 0.00 C ATOM 1221 CG ARG A 78 9.321-112.223-117.135 1.00 0.00 C ATOM 1222 CD ARG A 78 9.603-111.299-118.315 1.00 0.00 C ATOM 1223 NE ARG A 78 10.777-110.453-118.086 1.00 0.00 N ATOM 1224 CZ ARG A 78 12.042-110.864-118.226 1.00 0.00 C ATOM 1225 NH1 ARG A 78 12.314-112.115-118.593 1.00 0.00 N ATOM 1226 NH2 ARG A 78 13.041-110.018-117.998 1.00 0.00 N ATOM 0 H ARG A 78 6.489-112.761-114.812 1.00 0.00 H new ATOM 0 HA ARG A 78 6.405-110.833-116.919 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.447-110.589-116.057 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.355-112.128-115.224 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.242-112.387-116.575 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.996-113.195-117.506 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.757-111.896-119.214 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.733-110.669-118.497 1.00 0.00 H new ATOM 0 HE ARG A 78 10.619-109.486-117.801 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.554-112.771-118.771 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.283-112.417-118.697 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.842-109.058-117.717 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.007-110.329-118.104 1.00 0.00 H new ATOM 1240 N LEU A 79 6.279-113.919-117.796 1.00 0.00 N ATOM 1241 CA LEU A 79 6.074-114.810-118.928 1.00 0.00 C ATOM 1242 C LEU A 79 4.606-114.717-119.338 1.00 0.00 C ATOM 1243 O LEU A 79 4.256-114.868-120.510 1.00 0.00 O ATOM 1244 CB LEU A 79 6.462-116.251-118.565 1.00 0.00 C ATOM 1245 CG LEU A 79 7.801-116.744-119.146 1.00 0.00 C ATOM 1246 CD1 LEU A 79 8.822-115.613-119.248 1.00 0.00 C ATOM 1247 CD2 LEU A 79 8.361-117.882-118.308 1.00 0.00 C ATOM 0 H LEU A 79 6.066-114.336-116.890 1.00 0.00 H new ATOM 0 HA LEU A 79 6.709-114.513-119.763 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.504-116.335-117.479 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.670-116.919-118.905 1.00 0.00 H new ATOM 0 HG LEU A 79 7.605-117.109-120.154 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.753-116.000-119.662 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.433-114.830-119.899 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.009-115.201-118.256 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.307-118.217-118.734 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.525-117.536-117.288 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.653-118.711-118.300 1.00 0.00 H new ATOM 1259 N ASP A 80 3.758-114.449-118.335 1.00 0.00 N ATOM 1260 CA ASP A 80 2.328-114.305-118.517 1.00 0.00 C ATOM 1261 C ASP A 80 1.984-113.158-119.474 1.00 0.00 C ATOM 1262 O ASP A 80 0.949-113.198-120.141 1.00 0.00 O ATOM 1263 CB ASP A 80 1.650-114.063-117.158 1.00 0.00 C ATOM 1264 CG ASP A 80 0.193-114.491-117.145 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -0.071-115.695-116.943 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -0.683-113.621-117.338 1.00 0.00 O ATOM 0 H ASP A 80 4.061-114.327-117.369 1.00 0.00 H new ATOM 0 HA ASP A 80 1.959-115.230-118.959 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.191-114.608-116.385 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.716-113.004-116.907 1.00 0.00 H new ATOM 1271 N LEU A 81 2.845-112.129-119.533 1.00 0.00 N ATOM 1272 CA LEU A 81 2.597-110.981-120.407 1.00 0.00 C ATOM 1273 C LEU A 81 2.431-111.406-121.870 1.00 0.00 C ATOM 1274 O LEU A 81 1.603-110.845-122.590 1.00 0.00 O ATOM 1275 CB LEU A 81 3.713-109.929-120.255 1.00 0.00 C ATOM 1276 CG LEU A 81 5.029-110.217-121.000 1.00 0.00 C ATOM 1277 CD1 LEU A 81 4.998-109.622-122.404 1.00 0.00 C ATOM 1278 CD2 LEU A 81 6.215-109.669-120.214 1.00 0.00 C ATOM 0 H LEU A 81 3.707-112.072-118.991 1.00 0.00 H new ATOM 0 HA LEU A 81 1.656-110.527-120.097 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.328-108.969-120.600 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.938-109.820-119.194 1.00 0.00 H new ATOM 0 HG LEU A 81 5.141-111.297-121.091 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.938-109.838-122.912 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.173-110.060-122.966 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.860-108.543-122.339 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.138-109.881-120.754 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.104-108.591-120.093 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.252-110.143-119.233 1.00 0.00 H new ATOM 1290 N ILE A 82 3.215-112.398-122.306 1.00 0.00 N ATOM 1291 CA ILE A 82 3.143-112.887-123.683 1.00 0.00 C ATOM 1292 C ILE A 82 1.807-113.583-123.936 1.00 0.00 C ATOM 1293 O ILE A 82 1.194-113.407-124.990 1.00 0.00 O ATOM 1294 CB ILE A 82 4.302-113.866-124.008 1.00 0.00 C ATOM 1295 CG1 ILE A 82 5.661-113.165-123.857 1.00 0.00 C ATOM 1296 CG2 ILE A 82 4.152-114.436-125.418 1.00 0.00 C ATOM 1297 CD1 ILE A 82 6.432-113.586-122.626 1.00 0.00 C ATOM 0 H ILE A 82 3.904-112.876-121.725 1.00 0.00 H new ATOM 0 HA ILE A 82 3.233-112.019-124.336 1.00 0.00 H new ATOM 0 HB ILE A 82 4.257-114.691-123.297 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.265-113.370-124.741 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.502-112.087-123.823 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.976-115.120-125.624 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.207-114.973-125.495 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.166-113.622-126.143 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.380-113.049-122.589 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.849-113.355-121.735 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.624-114.658-122.666 1.00 0.00 H new ATOM 1309 N ARG A 83 1.369-114.380-122.958 1.00 0.00 N ATOM 1310 CA ARG A 83 0.116-115.118-123.054 1.00 0.00 C ATOM 1311 C ARG A 83 -1.090-114.202-123.294 1.00 0.00 C ATOM 1312 O ARG A 83 -2.109-114.640-123.830 1.00 0.00 O ATOM 1313 CB ARG A 83 -0.102-115.947-121.794 1.00 0.00 C ATOM 1314 CG ARG A 83 0.682-117.239-121.797 1.00 0.00 C ATOM 1315 CD ARG A 83 0.758-117.868-120.412 1.00 0.00 C ATOM 1316 NE ARG A 83 -0.516-118.465-120.005 1.00 0.00 N ATOM 1317 CZ ARG A 83 -0.954-119.662-120.414 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -0.231-120.402-121.250 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -2.125-120.117-119.984 1.00 0.00 N ATOM 0 H ARG A 83 1.873-114.529-122.084 1.00 0.00 H new ATOM 0 HA ARG A 83 0.198-115.776-123.919 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.183-115.357-120.923 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.164-116.172-121.693 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.218-117.942-122.489 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.691-117.049-122.164 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.535-118.633-120.404 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.050-117.109-119.686 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.109-117.933-119.368 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.669-120.059-121.587 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.576-121.312-121.554 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.687-119.555-119.345 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.463-121.029-120.293 1.00 0.00 H new ATOM 1333 N SER A 84 -0.969-112.929-122.900 1.00 0.00 N ATOM 1334 CA SER A 84 -2.050-111.958-123.079 1.00 0.00 C ATOM 1335 C SER A 84 -1.965-111.278-124.447 1.00 0.00 C ATOM 1336 O SER A 84 -2.989-110.964-125.056 1.00 0.00 O ATOM 1337 CB SER A 84 -2.013-110.907-121.965 1.00 0.00 C ATOM 1338 OG SER A 84 -3.202-110.939-121.194 1.00 0.00 O ATOM 0 H SER A 84 -0.133-112.549-122.456 1.00 0.00 H new ATOM 0 HA SER A 84 -2.995-112.498-123.027 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.153-111.086-121.320 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.884-109.916-122.400 1.00 0.00 H new ATOM 0 HG SER A 84 -3.153-110.260-120.489 1.00 0.00 H new ATOM 1344 N GLY A 85 -0.737-111.054-124.925 1.00 0.00 N ATOM 1345 CA GLY A 85 -0.538-110.416-126.216 1.00 0.00 C ATOM 1346 C GLY A 85 -0.720-108.908-126.166 1.00 0.00 C ATOM 1347 O GLY A 85 -1.259-108.314-127.101 1.00 0.00 O ATOM 0 H GLY A 85 0.123-111.305-124.437 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.465-110.644-126.577 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.240-110.838-126.936 1.00 0.00 H new