USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=11 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 -85:sc= 0.17 USER MOD Set 1.2: A 37 HIS : no HE2:sc= -0.792 X(o=-0.62,f=-0.36) USER MOD Single : A 0 HIS : no HD1:sc=-0.00107 X(o=-0.0011,f=-0.0011) USER MOD Single : A 0 HIS N :NH3+ -179:sc= 0 (180deg=-0.00217) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00765 USER MOD Single : A 7 HIS : no HE2:sc= 0.00406 K(o=0.0041,f=-0.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -0.703 K(o=-0.7,f=-2.7!) USER MOD Single : A 19 TYR OH : rot -8:sc= 0.571 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=-0.0019) USER MOD Single : A 52 GLN : amide:sc= -2.52 K(o=-2.5,f=-5.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -176:sc= -0.15 (180deg=-0.17) USER MOD Single : A 84 SER OG : rot -61:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 0 3.687-146.413-137.021 1.00 0.00 N ATOM 22 CA HIS A 0 4.351-145.120-137.196 1.00 0.00 C ATOM 23 C HIS A 0 3.936-144.143-136.096 1.00 0.00 C ATOM 24 O HIS A 0 2.757-144.048-135.750 1.00 0.00 O ATOM 25 CB HIS A 0 4.015-144.531-138.571 1.00 0.00 C ATOM 26 CG HIS A 0 4.597-145.305-139.716 1.00 0.00 C ATOM 27 ND1 HIS A 0 5.877-145.104-140.188 1.00 0.00 N ATOM 28 CD2 HIS A 0 4.064-146.285-140.483 1.00 0.00 C ATOM 29 CE1 HIS A 0 6.107-145.927-141.196 1.00 0.00 C ATOM 30 NE2 HIS A 0 5.023-146.654-141.395 1.00 0.00 N ATOM 0 H1 HIS A 0 3.996-147.066-137.769 1.00 0.00 H new ATOM 0 H2 HIS A 0 3.936-146.808-136.092 1.00 0.00 H new ATOM 0 H3 HIS A 0 2.657-146.285-137.078 1.00 0.00 H new ATOM 0 HA HIS A 0 5.427-145.280-137.130 1.00 0.00 H new ATOM 0 HB2 HIS A 0 2.932-144.491-138.684 1.00 0.00 H new ATOM 0 HB3 HIS A 0 4.379-143.504-138.616 1.00 0.00 H new ATOM 0 HD2 HIS A 0 3.071-146.699-140.395 1.00 0.00 H new ATOM 0 HE1 HIS A 0 7.025-145.994-141.761 1.00 0.00 H new ATOM 0 HE2 HIS A 0 4.915-147.373-142.110 1.00 0.00 H new ATOM 39 N MET A 1 4.916-143.417-135.550 1.00 0.00 N ATOM 40 CA MET A 1 4.659-142.444-134.487 1.00 0.00 C ATOM 41 C MET A 1 4.842-141.016-135.003 1.00 0.00 C ATOM 42 O MET A 1 5.754-140.742-135.785 1.00 0.00 O ATOM 43 CB MET A 1 5.595-142.694-133.296 1.00 0.00 C ATOM 44 CG MET A 1 5.240-143.933-132.483 1.00 0.00 C ATOM 45 SD MET A 1 6.038-145.431-133.098 1.00 0.00 S ATOM 46 CE MET A 1 5.395-146.652-131.956 1.00 0.00 C ATOM 0 H MET A 1 5.895-143.486-135.828 1.00 0.00 H new ATOM 0 HA MET A 1 3.627-142.565-134.159 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.616-142.793-133.663 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.574-141.823-132.641 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.529-143.774-131.444 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.159-144.072-132.496 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.798-147.633-132.207 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.687-146.389-130.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.308-146.678-132.026 1.00 0.00 H new ATOM 56 N SER A 2 3.970-140.109-134.556 1.00 0.00 N ATOM 57 CA SER A 2 4.031-138.707-134.969 1.00 0.00 C ATOM 58 C SER A 2 4.759-137.859-133.925 1.00 0.00 C ATOM 59 O SER A 2 5.679-137.110-134.257 1.00 0.00 O ATOM 60 CB SER A 2 2.619-138.157-135.202 1.00 0.00 C ATOM 61 OG SER A 2 1.800-138.344-134.059 1.00 0.00 O ATOM 0 H SER A 2 3.213-140.322-133.907 1.00 0.00 H new ATOM 0 HA SER A 2 4.590-138.655-135.903 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.675-137.095-135.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.169-138.655-136.061 1.00 0.00 H new ATOM 0 HG SER A 2 0.906-137.983-134.234 1.00 0.00 H new ATOM 67 N ALA A 3 4.341-137.981-132.662 1.00 0.00 N ATOM 68 CA ALA A 3 4.951-137.227-131.568 1.00 0.00 C ATOM 69 C ALA A 3 4.924-138.029-130.266 1.00 0.00 C ATOM 70 O ALA A 3 4.003-137.890-129.458 1.00 0.00 O ATOM 71 CB ALA A 3 4.242-135.889-131.388 1.00 0.00 C ATOM 0 H ALA A 3 3.581-138.597-132.373 1.00 0.00 H new ATOM 0 HA ALA A 3 5.994-137.039-131.824 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.707-135.338-130.570 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.321-135.309-132.307 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.191-136.062-131.158 1.00 0.00 H new ATOM 77 N GLY A 4 5.942-138.869-130.072 1.00 0.00 N ATOM 78 CA GLY A 4 6.023-139.686-128.870 1.00 0.00 C ATOM 79 C GLY A 4 6.733-138.978-127.729 1.00 0.00 C ATOM 80 O GLY A 4 6.100-138.593-126.743 1.00 0.00 O ATOM 0 H GLY A 4 6.713-138.998-130.727 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.017-139.960-128.553 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.548-140.613-129.100 1.00 0.00 H new ATOM 84 N GLU A 5 8.049-138.807-127.863 1.00 0.00 N ATOM 85 CA GLU A 5 8.854-138.141-126.838 1.00 0.00 C ATOM 86 C GLU A 5 9.718-137.037-127.457 1.00 0.00 C ATOM 87 O GLU A 5 10.909-137.237-127.707 1.00 0.00 O ATOM 88 CB GLU A 5 9.742-139.162-126.113 1.00 0.00 C ATOM 89 CG GLU A 5 8.966-140.137-125.238 1.00 0.00 C ATOM 90 CD GLU A 5 9.870-141.118-124.514 1.00 0.00 C ATOM 91 OE1 GLU A 5 10.299-140.806-123.382 1.00 0.00 O ATOM 92 OE2 GLU A 5 10.148-142.197-125.077 1.00 0.00 O ATOM 0 H GLU A 5 8.581-139.122-128.674 1.00 0.00 H new ATOM 0 HA GLU A 5 8.177-137.684-126.116 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.311-139.725-126.853 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.464-138.628-125.495 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.383-139.578-124.506 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.258-140.689-125.856 1.00 0.00 H new ATOM 99 N PRO A 6 9.125-135.850-127.717 1.00 0.00 N ATOM 100 CA PRO A 6 9.849-134.719-128.312 1.00 0.00 C ATOM 101 C PRO A 6 10.775-134.024-127.312 1.00 0.00 C ATOM 102 O PRO A 6 10.476-133.960-126.118 1.00 0.00 O ATOM 103 CB PRO A 6 8.723-133.781-128.750 1.00 0.00 C ATOM 104 CG PRO A 6 7.609-134.061-127.800 1.00 0.00 C ATOM 105 CD PRO A 6 7.706-135.524-127.457 1.00 0.00 C ATOM 0 HA PRO A 6 10.505-135.032-129.124 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.034-132.738-128.699 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.424-133.975-129.780 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.697-133.445-126.905 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.645-133.831-128.252 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.436-135.711-126.418 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.037-136.125-128.073 1.00 0.00 H new ATOM 113 N HIS A 7 11.899-133.503-127.810 1.00 0.00 N ATOM 114 CA HIS A 7 12.874-132.808-126.967 1.00 0.00 C ATOM 115 C HIS A 7 13.177-131.413-127.515 1.00 0.00 C ATOM 116 O HIS A 7 12.974-130.412-126.826 1.00 0.00 O ATOM 117 CB HIS A 7 14.167-133.622-126.862 1.00 0.00 C ATOM 118 CG HIS A 7 14.013-134.896-126.105 1.00 0.00 C ATOM 119 ND1 HIS A 7 13.393-136.019-126.611 1.00 0.00 N ATOM 120 CD2 HIS A 7 14.416-135.214-124.867 1.00 0.00 C ATOM 121 CE1 HIS A 7 13.422-136.978-125.702 1.00 0.00 C ATOM 122 NE2 HIS A 7 14.040-136.514-124.632 1.00 0.00 N ATOM 0 H HIS A 7 12.157-133.550-128.796 1.00 0.00 H new ATOM 0 HA HIS A 7 12.441-132.700-125.972 1.00 0.00 H new ATOM 0 HB2 HIS A 7 14.526-133.847-127.866 1.00 0.00 H new ATOM 0 HB3 HIS A 7 14.931-133.013-126.379 1.00 0.00 H new ATOM 0 HD1 HIS A 7 12.978-136.097-127.539 1.00 0.00 H new ATOM 0 HD2 HIS A 7 14.940-134.567-124.180 1.00 0.00 H new ATOM 0 HE1 HIS A 7 13.011-137.970-125.815 1.00 0.00 H new ATOM 172 N CYS A 11 10.805-125.630-129.613 1.00 0.00 N ATOM 173 CA CYS A 11 11.190-124.935-128.390 1.00 0.00 C ATOM 174 C CYS A 11 9.978-124.341-127.690 1.00 0.00 C ATOM 175 O CYS A 11 9.865-124.421-126.469 1.00 0.00 O ATOM 176 CB CYS A 11 12.211-123.847-128.715 1.00 0.00 C ATOM 177 SG CYS A 11 13.792-124.489-129.352 1.00 0.00 S ATOM 0 HA CYS A 11 11.642-125.657-127.709 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.782-123.168-129.452 1.00 0.00 H new ATOM 0 HB3 CYS A 11 12.403-123.262-127.816 1.00 0.00 H new ATOM 0 HG CYS A 11 14.565-124.806-128.356 1.00 0.00 H new ATOM 182 N SER A 12 9.068-123.761-128.465 1.00 0.00 N ATOM 183 CA SER A 12 7.851-123.174-127.906 1.00 0.00 C ATOM 184 C SER A 12 7.131-124.193-127.015 1.00 0.00 C ATOM 185 O SER A 12 6.862-123.924-125.847 1.00 0.00 O ATOM 186 CB SER A 12 6.919-122.696-129.027 1.00 0.00 C ATOM 187 OG SER A 12 5.816-121.978-128.503 1.00 0.00 O ATOM 0 H SER A 12 9.147-123.684-129.479 1.00 0.00 H new ATOM 0 HA SER A 12 8.130-122.313-127.299 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.473-122.062-129.719 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.561-123.554-129.597 1.00 0.00 H new ATOM 0 HG SER A 12 5.239-121.683-129.238 1.00 0.00 H new ATOM 193 N GLU A 13 6.798-125.352-127.592 1.00 0.00 N ATOM 194 CA GLU A 13 6.086-126.412-126.874 1.00 0.00 C ATOM 195 C GLU A 13 6.725-126.711-125.522 1.00 0.00 C ATOM 196 O GLU A 13 6.039-126.727-124.500 1.00 0.00 O ATOM 197 CB GLU A 13 6.025-127.689-127.723 1.00 0.00 C ATOM 198 CG GLU A 13 4.799-128.551-127.454 1.00 0.00 C ATOM 199 CD GLU A 13 4.761-129.801-128.313 1.00 0.00 C ATOM 200 OE1 GLU A 13 5.298-130.839-127.874 1.00 0.00 O ATOM 201 OE2 GLU A 13 4.195-129.740-129.425 1.00 0.00 O ATOM 0 H GLU A 13 7.013-125.580-128.563 1.00 0.00 H new ATOM 0 HA GLU A 13 5.073-126.055-126.690 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.039-127.413-128.777 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.921-128.281-127.536 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.785-128.837-126.402 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.900-127.963-127.636 1.00 0.00 H new ATOM 208 N ILE A 14 8.038-126.933-125.514 1.00 0.00 N ATOM 209 CA ILE A 14 8.748-127.218-124.263 1.00 0.00 C ATOM 210 C ILE A 14 8.853-125.947-123.410 1.00 0.00 C ATOM 211 O ILE A 14 8.808-126.000-122.181 1.00 0.00 O ATOM 212 CB ILE A 14 10.151-127.827-124.519 1.00 0.00 C ATOM 213 CG1 ILE A 14 10.735-128.402-123.219 1.00 0.00 C ATOM 214 CG2 ILE A 14 11.102-126.803-125.133 1.00 0.00 C ATOM 215 CD1 ILE A 14 11.686-129.560-123.438 1.00 0.00 C ATOM 0 H ILE A 14 8.628-126.922-126.346 1.00 0.00 H new ATOM 0 HA ILE A 14 8.170-127.963-123.716 1.00 0.00 H new ATOM 0 HB ILE A 14 10.035-128.639-125.236 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.259-127.609-122.685 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.917-128.731-122.578 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.076-127.264-125.299 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.698-126.456-126.084 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.212-125.957-124.455 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.057-129.913-122.476 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.162-130.371-123.944 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.524-129.231-124.052 1.00 0.00 H new ATOM 227 N LEU A 15 8.962-124.806-124.088 1.00 0.00 N ATOM 228 CA LEU A 15 9.033-123.504-123.435 1.00 0.00 C ATOM 229 C LEU A 15 7.711-123.207-122.725 1.00 0.00 C ATOM 230 O LEU A 15 7.692-122.704-121.601 1.00 0.00 O ATOM 231 CB LEU A 15 9.326-122.451-124.488 1.00 0.00 C ATOM 232 CG LEU A 15 9.254-121.001-124.025 1.00 0.00 C ATOM 233 CD1 LEU A 15 9.936-120.795-122.673 1.00 0.00 C ATOM 234 CD2 LEU A 15 9.893-120.127-125.079 1.00 0.00 C ATOM 0 H LEU A 15 9.003-124.760-125.106 1.00 0.00 H new ATOM 0 HA LEU A 15 9.827-123.499-122.688 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.323-122.634-124.888 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.623-122.584-125.311 1.00 0.00 H new ATOM 0 HG LEU A 15 8.207-120.729-123.892 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.860-119.747-122.383 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.449-121.416-121.921 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.987-121.075-122.749 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.850-119.085-124.763 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.934-120.422-125.215 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.357-120.243-126.021 1.00 0.00 H new ATOM 246 N ASP A 16 6.610-123.584-123.378 1.00 0.00 N ATOM 247 CA ASP A 16 5.277-123.426-122.805 1.00 0.00 C ATOM 248 C ASP A 16 5.131-124.414-121.652 1.00 0.00 C ATOM 249 O ASP A 16 4.482-124.126-120.647 1.00 0.00 O ATOM 250 CB ASP A 16 4.193-123.671-123.862 1.00 0.00 C ATOM 251 CG ASP A 16 3.833-122.416-124.633 1.00 0.00 C ATOM 252 OD1 ASP A 16 2.924-121.685-124.186 1.00 0.00 O ATOM 253 OD2 ASP A 16 4.461-122.163-125.683 1.00 0.00 O ATOM 0 H ASP A 16 6.619-124.002-124.308 1.00 0.00 H new ATOM 0 HA ASP A 16 5.154-122.406-122.442 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.537-124.435-124.559 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.299-124.063-123.376 1.00 0.00 H new ATOM 258 N HIS A 17 5.790-125.572-121.802 1.00 0.00 N ATOM 259 CA HIS A 17 5.798-126.609-120.774 1.00 0.00 C ATOM 260 C HIS A 17 6.451-126.061-119.508 1.00 0.00 C ATOM 261 O HIS A 17 6.041-126.388-118.395 1.00 0.00 O ATOM 262 CB HIS A 17 6.585-127.838-121.255 1.00 0.00 C ATOM 263 CG HIS A 17 5.782-128.830-122.034 1.00 0.00 C ATOM 264 ND1 HIS A 17 4.846-128.475-122.979 1.00 0.00 N ATOM 265 CD2 HIS A 17 5.795-130.182-122.008 1.00 0.00 C ATOM 266 CE1 HIS A 17 4.310-129.566-123.498 1.00 0.00 C ATOM 267 NE2 HIS A 17 4.870-130.616-122.925 1.00 0.00 N ATOM 0 H HIS A 17 6.328-125.810-122.636 1.00 0.00 H new ATOM 0 HA HIS A 17 4.770-126.905-120.568 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.418-127.500-121.872 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.014-128.340-120.388 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.604-127.519-123.238 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.417-130.805-121.382 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.545-129.594-124.260 1.00 0.00 H new ATOM 276 N LEU A 18 7.472-125.215-119.698 1.00 0.00 N ATOM 277 CA LEU A 18 8.193-124.604-118.585 1.00 0.00 C ATOM 278 C LEU A 18 7.265-123.724-117.752 1.00 0.00 C ATOM 279 O LEU A 18 7.393-123.658-116.528 1.00 0.00 O ATOM 280 CB LEU A 18 9.378-123.779-119.109 1.00 0.00 C ATOM 281 CG LEU A 18 10.763-124.346-118.784 1.00 0.00 C ATOM 282 CD1 LEU A 18 10.915-124.569-117.285 1.00 0.00 C ATOM 283 CD2 LEU A 18 11.009-125.637-119.556 1.00 0.00 C ATOM 0 H LEU A 18 7.815-124.940-120.618 1.00 0.00 H new ATOM 0 HA LEU A 18 8.572-125.401-117.946 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.286-123.687-120.191 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.309-122.772-118.697 1.00 0.00 H new ATOM 0 HG LEU A 18 11.514-123.619-119.094 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.906-124.972-117.076 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.791-123.621-116.762 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.157-125.274-116.943 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.998-126.024-119.312 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.253-126.374-119.283 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.952-125.438-120.626 1.00 0.00 H new ATOM 295 N TYR A 19 6.325-123.053-118.422 1.00 0.00 N ATOM 296 CA TYR A 19 5.375-122.188-117.749 1.00 0.00 C ATOM 297 C TYR A 19 4.232-123.000-117.152 1.00 0.00 C ATOM 298 O TYR A 19 3.927-122.876-115.965 1.00 0.00 O ATOM 299 CB TYR A 19 4.820-121.155-118.720 1.00 0.00 C ATOM 300 CG TYR A 19 4.112-120.016-118.025 1.00 0.00 C ATOM 301 CD1 TYR A 19 4.832-118.993-117.419 1.00 0.00 C ATOM 302 CD2 TYR A 19 2.726-119.981-117.946 1.00 0.00 C ATOM 303 CE1 TYR A 19 4.189-117.968-116.759 1.00 0.00 C ATOM 304 CE2 TYR A 19 2.076-118.957-117.289 1.00 0.00 C ATOM 305 CZ TYR A 19 2.812-117.952-116.696 1.00 0.00 C ATOM 306 OH TYR A 19 2.168-116.931-116.037 1.00 0.00 O ATOM 0 H TYR A 19 6.208-123.098-119.434 1.00 0.00 H new ATOM 0 HA TYR A 19 5.898-121.675-116.941 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.635-120.755-119.323 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.127-121.643-119.405 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.911-119.001-117.466 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.148-120.768-118.406 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.762-117.180-116.293 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.997-118.942-117.239 1.00 0.00 H new ATOM 0 HH TYR A 19 2.827-116.379-115.567 1.00 0.00 H new ATOM 316 N GLU A 20 3.611-123.837-117.984 1.00 0.00 N ATOM 317 CA GLU A 20 2.505-124.687-117.538 1.00 0.00 C ATOM 318 C GLU A 20 2.913-125.459-116.284 1.00 0.00 C ATOM 319 O GLU A 20 2.123-125.620-115.352 1.00 0.00 O ATOM 320 CB GLU A 20 2.091-125.657-118.644 1.00 0.00 C ATOM 321 CG GLU A 20 1.067-125.082-119.613 1.00 0.00 C ATOM 322 CD GLU A 20 0.674-126.062-120.701 1.00 0.00 C ATOM 323 OE1 GLU A 20 1.327-126.059-121.767 1.00 0.00 O ATOM 324 OE2 GLU A 20 -0.286-126.833-120.489 1.00 0.00 O ATOM 0 H GLU A 20 3.854-123.945-118.969 1.00 0.00 H new ATOM 0 HA GLU A 20 1.651-124.051-117.302 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.978-125.957-119.202 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.681-126.559-118.189 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.177-124.784-119.059 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.473-124.181-120.072 1.00 0.00 H new ATOM 331 N PHE A 21 4.175-125.899-116.264 1.00 0.00 N ATOM 332 CA PHE A 21 4.745-126.621-115.129 1.00 0.00 C ATOM 333 C PHE A 21 4.697-125.738-113.882 1.00 0.00 C ATOM 334 O PHE A 21 4.252-126.164-112.814 1.00 0.00 O ATOM 335 CB PHE A 21 6.194-126.994-115.463 1.00 0.00 C ATOM 336 CG PHE A 21 6.847-127.951-114.505 1.00 0.00 C ATOM 337 CD1 PHE A 21 7.789-127.494-113.598 1.00 0.00 C ATOM 338 CD2 PHE A 21 6.550-129.306-114.532 1.00 0.00 C ATOM 339 CE1 PHE A 21 8.424-128.364-112.740 1.00 0.00 C ATOM 340 CE2 PHE A 21 7.178-130.182-113.668 1.00 0.00 C ATOM 341 CZ PHE A 21 8.116-129.714-112.774 1.00 0.00 C ATOM 0 H PHE A 21 4.828-125.763-117.036 1.00 0.00 H new ATOM 0 HA PHE A 21 4.172-127.527-114.933 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.219-127.431-116.461 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.788-126.081-115.500 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.029-126.441-113.563 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.821-129.680-115.235 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.161-127.994-112.042 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.934-131.234-113.693 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.610-130.399-112.101 1.00 0.00 H new ATOM 351 N LEU A 22 5.158-124.497-114.049 1.00 0.00 N ATOM 352 CA LEU A 22 5.181-123.505-112.969 1.00 0.00 C ATOM 353 C LEU A 22 3.770-123.198-112.445 1.00 0.00 C ATOM 354 O LEU A 22 3.600-122.858-111.273 1.00 0.00 O ATOM 355 CB LEU A 22 5.839-122.205-113.463 1.00 0.00 C ATOM 356 CG LEU A 22 7.355-122.107-113.244 1.00 0.00 C ATOM 357 CD1 LEU A 22 7.952-121.011-114.120 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.672-121.852-111.775 1.00 0.00 C ATOM 0 H LEU A 22 5.526-124.150-114.935 1.00 0.00 H new ATOM 0 HA LEU A 22 5.761-123.927-112.148 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.636-122.098-114.528 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.362-121.363-112.961 1.00 0.00 H new ATOM 0 HG LEU A 22 7.804-123.058-113.529 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.027-120.956-113.951 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.760-121.238-115.169 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.496-120.054-113.867 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.752-121.786-111.642 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.210-120.916-111.460 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.281-122.671-111.171 1.00 0.00 H new ATOM 370 N ASP A 23 2.766-123.306-113.324 1.00 0.00 N ATOM 371 CA ASP A 23 1.373-123.025-112.954 1.00 0.00 C ATOM 372 C ASP A 23 0.879-123.953-111.840 1.00 0.00 C ATOM 373 O ASP A 23 0.537-123.494-110.748 1.00 0.00 O ATOM 374 CB ASP A 23 0.460-123.139-114.185 1.00 0.00 C ATOM 375 CG ASP A 23 -0.859-122.409-114.004 1.00 0.00 C ATOM 376 OD1 ASP A 23 -0.921-121.206-114.332 1.00 0.00 O ATOM 377 OD2 ASP A 23 -1.828-123.042-113.537 1.00 0.00 O ATOM 0 H ASP A 23 2.892-123.586-114.297 1.00 0.00 H new ATOM 0 HA ASP A 23 1.335-122.005-112.573 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.978-122.736-115.055 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.263-124.191-114.391 1.00 0.00 H new ATOM 382 N LYS A 24 0.839-125.256-112.123 1.00 0.00 N ATOM 383 CA LYS A 24 0.383-126.246-111.147 1.00 0.00 C ATOM 384 C LYS A 24 1.438-126.507-110.071 1.00 0.00 C ATOM 385 O LYS A 24 1.132-127.056-109.010 1.00 0.00 O ATOM 386 CB LYS A 24 0.058-127.562-111.856 1.00 0.00 C ATOM 387 CG LYS A 24 1.281-128.260-112.451 1.00 0.00 C ATOM 388 CD LYS A 24 1.292-128.170-113.971 1.00 0.00 C ATOM 389 CE LYS A 24 0.591-129.358-114.615 1.00 0.00 C ATOM 390 NZ LYS A 24 0.587-129.268-116.102 1.00 0.00 N ATOM 0 H LYS A 24 1.117-125.650-113.022 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.509-125.846-110.664 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.425-128.236-111.148 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.661-127.367-112.652 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.189-127.807-112.052 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.287-129.307-112.148 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.803-127.247-114.284 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.322-128.121-114.324 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.086-130.280-114.309 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.436-129.412-114.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.100-130.097-116.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.092-128.402-116.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.566-129.242-116.451 1.00 0.00 H new ATOM 404 N GLU A 25 2.682-126.119-110.362 1.00 0.00 N ATOM 405 CA GLU A 25 3.798-126.313-109.445 1.00 0.00 C ATOM 406 C GLU A 25 3.883-127.766-108.966 1.00 0.00 C ATOM 407 O GLU A 25 3.706-128.057-107.781 1.00 0.00 O ATOM 408 CB GLU A 25 3.690-125.348-108.257 1.00 0.00 C ATOM 409 CG GLU A 25 5.001-125.141-107.510 1.00 0.00 C ATOM 410 CD GLU A 25 4.878-124.143-106.373 1.00 0.00 C ATOM 411 OE1 GLU A 25 4.572-124.571-105.241 1.00 0.00 O ATOM 412 OE2 GLU A 25 5.087-122.937-106.617 1.00 0.00 O ATOM 0 H GLU A 25 2.939-125.664-111.238 1.00 0.00 H new ATOM 0 HA GLU A 25 4.719-126.093-109.985 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.332-124.383-108.616 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.942-125.727-107.560 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.343-126.097-107.113 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.762-124.796-108.210 1.00 0.00 H new ATOM 419 N MET A 26 4.164-128.672-109.905 1.00 0.00 N ATOM 420 CA MET A 26 4.285-130.097-109.601 1.00 0.00 C ATOM 421 C MET A 26 5.716-130.431-109.166 1.00 0.00 C ATOM 422 O MET A 26 6.612-129.593-109.284 1.00 0.00 O ATOM 423 CB MET A 26 3.890-130.932-110.831 1.00 0.00 C ATOM 424 CG MET A 26 2.513-131.572-110.725 1.00 0.00 C ATOM 425 SD MET A 26 2.061-132.510-112.200 1.00 0.00 S ATOM 426 CE MET A 26 0.438-133.110-111.737 1.00 0.00 C ATOM 0 H MET A 26 4.313-128.441-110.887 1.00 0.00 H new ATOM 0 HA MET A 26 3.611-130.340-108.780 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.917-130.294-111.715 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.633-131.715-110.980 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.491-132.233-109.859 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.769-130.795-110.552 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.026-133.709-112.549 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.519-133.723-110.839 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.220-132.264-111.540 1.00 0.00 H new ATOM 436 N PRO A 27 5.955-131.660-108.649 1.00 0.00 N ATOM 437 CA PRO A 27 7.290-132.087-108.196 1.00 0.00 C ATOM 438 C PRO A 27 8.388-131.794-109.221 1.00 0.00 C ATOM 439 O PRO A 27 8.105-131.529-110.388 1.00 0.00 O ATOM 440 CB PRO A 27 7.126-133.596-107.997 1.00 0.00 C ATOM 441 CG PRO A 27 5.684-133.776-107.675 1.00 0.00 C ATOM 442 CD PRO A 27 4.946-132.726-108.460 1.00 0.00 C ATOM 0 HA PRO A 27 7.603-131.553-107.299 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.404-134.147-108.895 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.761-133.961-107.190 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.346-134.776-107.948 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.506-133.660-106.606 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.590-133.115-109.414 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.073-132.361-107.919 1.00 0.00 H new ATOM 450 N ASP A 28 9.644-131.852-108.772 1.00 0.00 N ATOM 451 CA ASP A 28 10.803-131.596-109.638 1.00 0.00 C ATOM 452 C ASP A 28 11.200-132.841-110.436 1.00 0.00 C ATOM 453 O ASP A 28 12.352-132.985-110.851 1.00 0.00 O ATOM 454 CB ASP A 28 11.987-131.135-108.793 1.00 0.00 C ATOM 455 CG ASP A 28 11.792-129.743-108.222 1.00 0.00 C ATOM 456 OD1 ASP A 28 12.290-128.775-108.835 1.00 0.00 O ATOM 457 OD2 ASP A 28 11.140-129.621-107.164 1.00 0.00 O ATOM 0 H ASP A 28 9.888-132.075-107.807 1.00 0.00 H new ATOM 0 HA ASP A 28 10.523-130.816-110.346 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.141-131.840-107.976 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.891-131.150-109.402 1.00 0.00 H new ATOM 462 N SER A 29 10.239-133.728-110.647 1.00 0.00 N ATOM 463 CA SER A 29 10.464-134.965-111.393 1.00 0.00 C ATOM 464 C SER A 29 10.441-134.711-112.895 1.00 0.00 C ATOM 465 O SER A 29 11.451-134.906-113.573 1.00 0.00 O ATOM 466 CB SER A 29 9.371-135.963-111.031 1.00 0.00 C ATOM 467 OG SER A 29 9.526-136.438-109.705 1.00 0.00 O ATOM 0 H SER A 29 9.283-133.615-110.309 1.00 0.00 H new ATOM 0 HA SER A 29 11.445-135.361-111.130 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.394-135.491-111.139 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.398-136.803-111.726 1.00 0.00 H new ATOM 0 HG SER A 29 8.810-137.075-109.500 1.00 0.00 H new ATOM 473 N ASP A 30 9.297-134.249-113.410 1.00 0.00 N ATOM 474 CA ASP A 30 9.185-133.944-114.831 1.00 0.00 C ATOM 475 C ASP A 30 10.183-132.845-115.159 1.00 0.00 C ATOM 476 O ASP A 30 10.921-132.936-116.141 1.00 0.00 O ATOM 477 CB ASP A 30 7.761-133.513-115.201 1.00 0.00 C ATOM 478 CG ASP A 30 6.772-134.663-115.144 1.00 0.00 C ATOM 479 OD1 ASP A 30 6.174-134.880-114.069 1.00 0.00 O ATOM 480 OD2 ASP A 30 6.595-135.346-116.175 1.00 0.00 O ATOM 0 H ASP A 30 8.449-134.081-112.869 1.00 0.00 H new ATOM 0 HA ASP A 30 9.405-134.838-115.414 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.436-132.724-114.522 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.763-133.089-116.205 1.00 0.00 H new ATOM 485 N ALA A 31 10.191-131.808-114.311 1.00 0.00 N ATOM 486 CA ALA A 31 11.091-130.667-114.463 1.00 0.00 C ATOM 487 C ALA A 31 12.433-131.080-115.068 1.00 0.00 C ATOM 488 O ALA A 31 12.953-130.402-115.951 1.00 0.00 O ATOM 489 CB ALA A 31 11.318-129.986-113.116 1.00 0.00 C ATOM 0 H ALA A 31 9.573-131.740-113.502 1.00 0.00 H new ATOM 0 HA ALA A 31 10.615-129.966-115.148 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.990-129.138-113.246 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.365-129.636-112.720 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.761-130.697-112.419 1.00 0.00 H new ATOM 495 N VAL A 32 13.007-132.180-114.559 1.00 0.00 N ATOM 496 CA VAL A 32 14.307-132.693-115.004 1.00 0.00 C ATOM 497 C VAL A 32 14.483-132.798-116.530 1.00 0.00 C ATOM 498 O VAL A 32 15.617-132.908-117.001 1.00 0.00 O ATOM 499 CB VAL A 32 14.577-134.077-114.352 1.00 0.00 C ATOM 500 CG1 VAL A 32 14.001-135.214-115.192 1.00 0.00 C ATOM 501 CG2 VAL A 32 16.069-134.281-114.111 1.00 0.00 C ATOM 0 H VAL A 32 12.578-132.741-113.823 1.00 0.00 H new ATOM 0 HA VAL A 32 15.036-131.951-114.678 1.00 0.00 H new ATOM 0 HB VAL A 32 14.070-134.092-113.387 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.209-136.167-114.706 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.923-135.084-115.290 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.459-135.204-116.181 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.234-135.257-113.654 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.601-134.231-115.061 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.440-133.501-113.446 1.00 0.00 H new ATOM 511 N LYS A 33 13.396-132.739-117.313 1.00 0.00 N ATOM 512 CA LYS A 33 13.507-132.801-118.770 1.00 0.00 C ATOM 513 C LYS A 33 13.636-131.392-119.355 1.00 0.00 C ATOM 514 O LYS A 33 13.570-131.198-120.571 1.00 0.00 O ATOM 515 CB LYS A 33 12.291-133.523-119.368 1.00 0.00 C ATOM 516 CG LYS A 33 12.561-134.170-120.721 1.00 0.00 C ATOM 517 CD LYS A 33 11.325-134.871-121.266 1.00 0.00 C ATOM 518 CE LYS A 33 11.603-135.544-122.603 1.00 0.00 C ATOM 519 NZ LYS A 33 10.390-136.209-123.158 1.00 0.00 N ATOM 0 H LYS A 33 12.442-132.649-116.963 1.00 0.00 H new ATOM 0 HA LYS A 33 14.404-133.365-119.027 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.957-134.290-118.670 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.473-132.810-119.474 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.890-133.409-121.429 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.375-134.889-120.625 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.983-135.616-120.548 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.518-134.147-121.384 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.966-134.802-123.314 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.396-136.282-122.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.624-136.654-124.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.057-136.936-122.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.641-135.502-123.301 1.00 0.00 H new ATOM 533 N PHE A 34 13.848-130.418-118.469 1.00 0.00 N ATOM 534 CA PHE A 34 14.021-129.031-118.855 1.00 0.00 C ATOM 535 C PHE A 34 15.510-128.703-118.939 1.00 0.00 C ATOM 536 O PHE A 34 15.920-127.833-119.711 1.00 0.00 O ATOM 537 CB PHE A 34 13.319-128.114-117.851 1.00 0.00 C ATOM 538 CG PHE A 34 11.815-128.279-117.789 1.00 0.00 C ATOM 539 CD1 PHE A 34 11.108-127.798-116.699 1.00 0.00 C ATOM 540 CD2 PHE A 34 11.108-128.901-118.815 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.736-127.929-116.628 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.732-129.037-118.746 1.00 0.00 C ATOM 543 CZ PHE A 34 9.047-128.549-117.651 1.00 0.00 C ATOM 0 H PHE A 34 13.903-130.577-117.463 1.00 0.00 H new ATOM 0 HA PHE A 34 13.572-128.870-119.835 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.733-128.299-116.860 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.547-127.079-118.104 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.638-127.313-115.893 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.639-129.282-119.675 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.201-127.546-115.771 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.196-129.524-119.547 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.973-128.652-117.595 1.00 0.00 H new ATOM 553 N GLU A 35 16.319-129.423-118.148 1.00 0.00 N ATOM 554 CA GLU A 35 17.769-129.228-118.142 1.00 0.00 C ATOM 555 C GLU A 35 18.377-129.584-119.503 1.00 0.00 C ATOM 556 O GLU A 35 19.429-129.062-119.873 1.00 0.00 O ATOM 557 CB GLU A 35 18.417-130.075-117.049 1.00 0.00 C ATOM 558 CG GLU A 35 18.068-129.629-115.637 1.00 0.00 C ATOM 559 CD GLU A 35 18.769-130.454-114.573 1.00 0.00 C ATOM 560 OE1 GLU A 35 19.883-130.069-114.161 1.00 0.00 O ATOM 561 OE2 GLU A 35 18.201-131.484-114.151 1.00 0.00 O ATOM 0 H GLU A 35 15.990-130.144-117.506 1.00 0.00 H new ATOM 0 HA GLU A 35 17.964-128.175-117.940 1.00 0.00 H new ATOM 0 HB2 GLU A 35 18.111-131.113-117.178 1.00 0.00 H new ATOM 0 HB3 GLU A 35 19.500-130.044-117.172 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.338-128.580-115.514 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.990-129.699-115.494 1.00 0.00 H new ATOM 568 N HIS A 36 17.707-130.478-120.242 1.00 0.00 N ATOM 569 CA HIS A 36 18.184-130.904-121.562 1.00 0.00 C ATOM 570 C HIS A 36 18.109-129.770-122.595 1.00 0.00 C ATOM 571 O HIS A 36 18.793-129.820-123.620 1.00 0.00 O ATOM 572 CB HIS A 36 17.376-132.111-122.056 1.00 0.00 C ATOM 573 CG HIS A 36 17.694-133.386-121.334 1.00 0.00 C ATOM 574 ND1 HIS A 36 18.531-134.354-121.849 1.00 0.00 N ATOM 575 CD2 HIS A 36 17.283-133.849-120.128 1.00 0.00 C ATOM 576 CE1 HIS A 36 18.619-135.357-120.993 1.00 0.00 C ATOM 577 NE2 HIS A 36 17.873-135.075-119.942 1.00 0.00 N ATOM 0 H HIS A 36 16.835-130.919-119.948 1.00 0.00 H new ATOM 0 HA HIS A 36 19.231-131.185-121.452 1.00 0.00 H new ATOM 0 HB2 HIS A 36 16.313-131.896-121.944 1.00 0.00 H new ATOM 0 HB3 HIS A 36 17.563-132.251-123.121 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.616-133.348-119.442 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.203-136.255-121.130 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.754-135.671-119.123 1.00 0.00 H new ATOM 586 N HIS A 37 17.275-128.756-122.332 1.00 0.00 N ATOM 587 CA HIS A 37 17.121-127.625-123.255 1.00 0.00 C ATOM 588 C HIS A 37 18.249-126.591-123.097 1.00 0.00 C ATOM 589 O HIS A 37 18.308-125.620-123.852 1.00 0.00 O ATOM 590 CB HIS A 37 15.752-126.953-123.055 1.00 0.00 C ATOM 591 CG HIS A 37 15.297-126.119-124.223 1.00 0.00 C ATOM 592 ND1 HIS A 37 14.044-125.544-124.295 1.00 0.00 N ATOM 593 CD2 HIS A 37 15.939-125.745-125.359 1.00 0.00 C ATOM 594 CE1 HIS A 37 13.938-124.855-125.419 1.00 0.00 C ATOM 595 NE2 HIS A 37 15.075-124.959-126.083 1.00 0.00 N ATOM 0 H HIS A 37 16.699-128.696-121.492 1.00 0.00 H new ATOM 0 HA HIS A 37 17.182-128.023-124.268 1.00 0.00 H new ATOM 0 HB2 HIS A 37 15.006-127.724-122.861 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.796-126.322-122.167 1.00 0.00 H new ATOM 0 HD1 HIS A 37 13.313-125.636-123.590 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.945-126.016-125.642 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.068-124.301-125.740 1.00 0.00 H new ATOM 603 N PHE A 38 19.154-126.799-122.133 1.00 0.00 N ATOM 604 CA PHE A 38 20.281-125.883-121.908 1.00 0.00 C ATOM 605 C PHE A 38 21.485-126.278-122.771 1.00 0.00 C ATOM 606 O PHE A 38 22.502-125.583-122.803 1.00 0.00 O ATOM 607 CB PHE A 38 20.694-125.942-120.441 1.00 0.00 C ATOM 608 CG PHE A 38 20.361-124.701-119.653 1.00 0.00 C ATOM 609 CD1 PHE A 38 19.314-124.703-118.745 1.00 0.00 C ATOM 610 CD2 PHE A 38 21.096-123.536-119.814 1.00 0.00 C ATOM 611 CE1 PHE A 38 19.009-123.574-118.018 1.00 0.00 C ATOM 612 CE2 PHE A 38 20.791-122.405-119.090 1.00 0.00 C ATOM 613 CZ PHE A 38 19.748-122.426-118.191 1.00 0.00 C ATOM 0 H PHE A 38 19.128-127.594-121.495 1.00 0.00 H new ATOM 0 HA PHE A 38 19.964-124.875-122.177 1.00 0.00 H new ATOM 0 HB2 PHE A 38 20.207-126.797-119.973 1.00 0.00 H new ATOM 0 HB3 PHE A 38 21.768-126.117-120.385 1.00 0.00 H new ATOM 0 HD1 PHE A 38 18.730-125.601-118.606 1.00 0.00 H new ATOM 0 HD2 PHE A 38 21.917-123.516-120.515 1.00 0.00 H new ATOM 0 HE1 PHE A 38 18.191-123.589-117.313 1.00 0.00 H new ATOM 0 HE2 PHE A 38 21.369-121.503-119.227 1.00 0.00 H new ATOM 0 HZ PHE A 38 19.510-121.540-117.621 1.00 0.00 H new ATOM 623 N GLU A 39 21.338-127.396-123.468 1.00 0.00 N ATOM 624 CA GLU A 39 22.374-127.916-124.346 1.00 0.00 C ATOM 625 C GLU A 39 22.258-127.294-125.746 1.00 0.00 C ATOM 626 O GLU A 39 22.679-126.153-125.953 1.00 0.00 O ATOM 627 CB GLU A 39 22.292-129.441-124.406 1.00 0.00 C ATOM 628 CG GLU A 39 22.812-130.131-123.154 1.00 0.00 C ATOM 629 CD GLU A 39 22.696-131.642-123.225 1.00 0.00 C ATOM 630 OE1 GLU A 39 21.652-132.179-122.800 1.00 0.00 O ATOM 631 OE2 GLU A 39 23.649-132.288-123.708 1.00 0.00 O ATOM 0 H GLU A 39 20.494-127.969-123.440 1.00 0.00 H new ATOM 0 HA GLU A 39 23.350-127.643-123.944 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.255-129.734-124.567 1.00 0.00 H new ATOM 0 HB3 GLU A 39 22.860-129.793-125.267 1.00 0.00 H new ATOM 0 HG2 GLU A 39 23.856-129.858-123.001 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.258-129.769-122.288 1.00 0.00 H new ATOM 801 N GLU A 51 15.293-116.812-120.248 1.00 0.00 N ATOM 802 CA GLU A 51 15.991-116.784-118.955 1.00 0.00 C ATOM 803 C GLU A 51 15.049-117.127-117.797 1.00 0.00 C ATOM 804 O GLU A 51 15.374-117.953-116.951 1.00 0.00 O ATOM 805 CB GLU A 51 16.623-115.405-118.720 1.00 0.00 C ATOM 806 CG GLU A 51 17.827-115.123-119.609 1.00 0.00 C ATOM 807 CD GLU A 51 18.443-113.763-119.345 1.00 0.00 C ATOM 808 OE1 GLU A 51 18.019-112.782-119.990 1.00 0.00 O ATOM 809 OE2 GLU A 51 19.351-113.678-118.490 1.00 0.00 O ATOM 0 HA GLU A 51 16.774-117.541-118.989 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.869-114.636-118.890 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.927-115.328-117.676 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.580-115.895-119.450 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.524-115.183-120.654 1.00 0.00 H new ATOM 816 N GLN A 52 13.884-116.482-117.772 1.00 0.00 N ATOM 817 CA GLN A 52 12.892-116.715-116.720 1.00 0.00 C ATOM 818 C GLN A 52 12.552-118.200-116.564 1.00 0.00 C ATOM 819 O GLN A 52 12.755-118.787-115.501 1.00 0.00 O ATOM 820 CB GLN A 52 11.617-115.933-117.001 1.00 0.00 C ATOM 821 CG GLN A 52 10.646-115.928-115.833 1.00 0.00 C ATOM 822 CD GLN A 52 10.961-114.848-114.812 1.00 0.00 C ATOM 823 OE1 GLN A 52 10.298-113.814-114.764 1.00 0.00 O ATOM 824 NE2 GLN A 52 11.976-115.084-113.985 1.00 0.00 N ATOM 0 H GLN A 52 13.602-115.793-118.469 1.00 0.00 H new ATOM 0 HA GLN A 52 13.337-116.369-115.787 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.877-114.905-117.252 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.122-116.359-117.874 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.633-115.782-116.209 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.668-116.902-115.344 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.501-115.955-114.058 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.229-114.394-113.278 1.00 0.00 H new ATOM 833 N ALA A 53 12.004-118.783-117.627 1.00 0.00 N ATOM 834 CA ALA A 53 11.589-120.187-117.631 1.00 0.00 C ATOM 835 C ALA A 53 12.746-121.173-117.417 1.00 0.00 C ATOM 836 O ALA A 53 12.554-122.217-116.795 1.00 0.00 O ATOM 837 CB ALA A 53 10.868-120.506-118.935 1.00 0.00 C ATOM 0 H ALA A 53 11.835-118.299-118.509 1.00 0.00 H new ATOM 0 HA ALA A 53 10.918-120.315-116.782 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.561-121.552-118.934 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.988-119.869-119.030 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.539-120.325-119.775 1.00 0.00 H new ATOM 843 N VAL A 54 13.933-120.866-117.946 1.00 0.00 N ATOM 844 CA VAL A 54 15.077-121.770-117.816 1.00 0.00 C ATOM 845 C VAL A 54 15.851-121.580-116.506 1.00 0.00 C ATOM 846 O VAL A 54 16.381-122.547-115.960 1.00 0.00 O ATOM 847 CB VAL A 54 16.041-121.639-119.019 1.00 0.00 C ATOM 848 CG1 VAL A 54 15.341-122.060-120.308 1.00 0.00 C ATOM 849 CG2 VAL A 54 16.607-120.227-119.141 1.00 0.00 C ATOM 0 H VAL A 54 14.126-120.008-118.463 1.00 0.00 H new ATOM 0 HA VAL A 54 14.656-122.775-117.801 1.00 0.00 H new ATOM 0 HB VAL A 54 16.884-122.308-118.845 1.00 0.00 H new ATOM 0 HG11 VAL A 54 16.032-121.962-121.146 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.017-123.097-120.224 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.474-121.421-120.476 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.279-120.177-119.998 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.790-119.518-119.279 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.156-119.976-118.234 1.00 0.00 H new ATOM 859 N LYS A 55 15.913-120.352-115.996 1.00 0.00 N ATOM 860 CA LYS A 55 16.622-120.086-114.744 1.00 0.00 C ATOM 861 C LYS A 55 15.907-120.765-113.571 1.00 0.00 C ATOM 862 O LYS A 55 16.547-121.278-112.653 1.00 0.00 O ATOM 863 CB LYS A 55 16.730-118.574-114.495 1.00 0.00 C ATOM 864 CG LYS A 55 17.808-118.192-113.491 1.00 0.00 C ATOM 865 CD LYS A 55 19.190-118.190-114.128 1.00 0.00 C ATOM 866 CE LYS A 55 20.276-117.854-113.115 1.00 0.00 C ATOM 867 NZ LYS A 55 21.633-117.845-113.730 1.00 0.00 N ATOM 0 H LYS A 55 15.485-119.531-116.425 1.00 0.00 H new ATOM 0 HA LYS A 55 17.628-120.497-114.826 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.934-118.073-115.441 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.768-118.204-114.140 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.593-117.204-113.083 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.793-118.892-112.656 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.390-119.168-114.566 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.215-117.465-114.942 1.00 0.00 H new ATOM 0 HE2 LYS A 55 20.071-116.878-112.675 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.251-118.581-112.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.341-117.612-113.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.840-118.783-114.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.666-117.133-114.488 1.00 0.00 H new ATOM 881 N LYS A 56 14.574-120.759-113.622 1.00 0.00 N ATOM 882 CA LYS A 56 13.735-121.365-112.588 1.00 0.00 C ATOM 883 C LYS A 56 14.019-122.857-112.405 1.00 0.00 C ATOM 884 O LYS A 56 14.224-123.327-111.288 1.00 0.00 O ATOM 885 CB LYS A 56 12.264-121.180-112.957 1.00 0.00 C ATOM 886 CG LYS A 56 11.624-119.914-112.397 1.00 0.00 C ATOM 887 CD LYS A 56 12.014-119.663-110.947 1.00 0.00 C ATOM 888 CE LYS A 56 11.060-118.690-110.266 1.00 0.00 C ATOM 889 NZ LYS A 56 11.446-118.429-108.852 1.00 0.00 N ATOM 0 H LYS A 56 14.045-120.333-114.383 1.00 0.00 H new ATOM 0 HA LYS A 56 13.966-120.865-111.647 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.174-121.167-114.043 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.702-122.044-112.601 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.922-119.059-113.004 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.539-119.994-112.471 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.019-120.608-110.403 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.028-119.266-110.907 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.046-117.750-110.818 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.048-119.093-110.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.771-117.762-108.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.435-119.322-108.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.402-118.020-108.823 1.00 0.00 H new ATOM 903 N LEU A 57 14.011-123.589-113.517 1.00 0.00 N ATOM 904 CA LEU A 57 14.248-125.033-113.501 1.00 0.00 C ATOM 905 C LEU A 57 15.556-125.381-112.785 1.00 0.00 C ATOM 906 O LEU A 57 15.603-126.313-111.980 1.00 0.00 O ATOM 907 CB LEU A 57 14.233-125.583-114.933 1.00 0.00 C ATOM 908 CG LEU A 57 15.549-125.462-115.703 1.00 0.00 C ATOM 909 CD1 LEU A 57 16.420-126.691-115.484 1.00 0.00 C ATOM 910 CD2 LEU A 57 15.299-125.239-117.190 1.00 0.00 C ATOM 0 H LEU A 57 13.842-123.204-114.446 1.00 0.00 H new ATOM 0 HA LEU A 57 13.443-125.506-112.939 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.950-126.635-114.896 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.456-125.064-115.494 1.00 0.00 H new ATOM 0 HG LEU A 57 16.080-124.592-115.317 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.350-126.582-116.042 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.643-126.794-114.422 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.891-127.578-115.831 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.253-125.157-117.711 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.736-126.080-117.594 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.729-124.320-117.329 1.00 0.00 H new ATOM 922 N VAL A 58 16.610-124.622-113.081 1.00 0.00 N ATOM 923 CA VAL A 58 17.919-124.843-112.464 1.00 0.00 C ATOM 924 C VAL A 58 17.930-124.353-111.017 1.00 0.00 C ATOM 925 O VAL A 58 18.447-125.033-110.128 1.00 0.00 O ATOM 926 CB VAL A 58 19.053-124.149-113.250 1.00 0.00 C ATOM 927 CG1 VAL A 58 20.412-124.435-112.620 1.00 0.00 C ATOM 928 CG2 VAL A 58 19.037-124.573-114.713 1.00 0.00 C ATOM 0 H VAL A 58 16.584-123.848-113.745 1.00 0.00 H new ATOM 0 HA VAL A 58 18.097-125.918-112.484 1.00 0.00 H new ATOM 0 HB VAL A 58 18.881-123.074-113.205 1.00 0.00 H new ATOM 0 HG11 VAL A 58 21.192-123.934-113.194 1.00 0.00 H new ATOM 0 HG12 VAL A 58 20.422-124.066-111.594 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.595-125.510-112.621 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.845-124.071-115.246 1.00 0.00 H new ATOM 0 HG22 VAL A 58 19.173-125.652-114.781 1.00 0.00 H new ATOM 0 HG23 VAL A 58 18.082-124.299-115.161 1.00 0.00 H new ATOM 938 N LYS A 59 17.346-123.175-110.786 1.00 0.00 N ATOM 939 CA LYS A 59 17.274-122.597-109.445 1.00 0.00 C ATOM 940 C LYS A 59 16.476-123.503-108.507 1.00 0.00 C ATOM 941 O LYS A 59 16.776-123.597-107.316 1.00 0.00 O ATOM 942 CB LYS A 59 16.646-121.205-109.494 1.00 0.00 C ATOM 943 CG LYS A 59 17.609-120.109-109.934 1.00 0.00 C ATOM 944 CD LYS A 59 18.325-119.476-108.749 1.00 0.00 C ATOM 945 CE LYS A 59 19.290-118.384-109.192 1.00 0.00 C ATOM 946 NZ LYS A 59 19.993-117.758-108.037 1.00 0.00 N ATOM 0 H LYS A 59 16.916-122.603-111.513 1.00 0.00 H new ATOM 0 HA LYS A 59 18.290-122.509-109.059 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.796-121.224-110.176 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.256-120.958-108.507 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.344-120.526-110.622 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.061-119.341-110.480 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.590-119.056-108.062 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.871-120.244-108.201 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.024-118.806-109.878 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.743-117.618-109.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 20.640-117.021-108.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.294-117.333-107.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.536-118.483-107.527 1.00 0.00 H new ATOM 960 N ARG A 60 15.458-124.172-109.060 1.00 0.00 N ATOM 961 CA ARG A 60 14.617-125.077-108.290 1.00 0.00 C ATOM 962 C ARG A 60 15.391-126.338-107.898 1.00 0.00 C ATOM 963 O ARG A 60 16.305-126.276-107.074 1.00 0.00 O ATOM 964 CB ARG A 60 13.365-125.434-109.092 1.00 0.00 C ATOM 965 CG ARG A 60 12.326-124.339-109.097 1.00 0.00 C ATOM 966 CD ARG A 60 11.138-124.683-109.987 1.00 0.00 C ATOM 967 NE ARG A 60 9.957-123.881-109.662 1.00 0.00 N ATOM 968 CZ ARG A 60 9.148-124.115-108.622 1.00 0.00 C ATOM 969 NH1 ARG A 60 9.380-125.133-107.795 1.00 0.00 N ATOM 970 NH2 ARG A 60 8.103-123.324-108.407 1.00 0.00 N ATOM 0 H ARG A 60 15.201-124.099-110.044 1.00 0.00 H new ATOM 0 HA ARG A 60 14.312-124.575-107.372 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.652-125.658-110.120 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.924-126.342-108.679 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.978-124.165-108.079 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.780-123.410-109.442 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.409-124.523-111.031 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.899-125.741-109.879 1.00 0.00 H new ATOM 0 HE ARG A 60 9.736-123.091-110.269 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.181-125.744-107.951 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.756-125.301-107.006 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.919-122.541-109.034 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.485-123.500-107.615 1.00 0.00 H new ATOM 1101 N LEU A 71 7.347-113.347-103.719 1.00 0.00 N ATOM 1102 CA LEU A 71 7.814-112.807-104.995 1.00 0.00 C ATOM 1103 C LEU A 71 7.808-113.891-106.067 1.00 0.00 C ATOM 1104 O LEU A 71 7.359-113.656-107.186 1.00 0.00 O ATOM 1105 CB LEU A 71 9.202-112.190-104.854 1.00 0.00 C ATOM 1106 CG LEU A 71 9.570-111.156-105.919 1.00 0.00 C ATOM 1107 CD1 LEU A 71 9.997-111.836-107.211 1.00 0.00 C ATOM 1108 CD2 LEU A 71 8.396-110.235-106.174 1.00 0.00 C ATOM 0 HA LEU A 71 7.128-112.017-105.301 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.274-111.719-103.874 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.941-112.991-104.878 1.00 0.00 H new ATOM 0 HG LEU A 71 10.411-110.568-105.552 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.254-111.080-107.953 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.865-112.467-107.020 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.178-112.450-107.587 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.667-109.502-106.934 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.544-110.819-106.521 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.131-109.720-105.251 1.00 0.00 H new ATOM 1120 N ARG A 72 8.297-115.080-105.708 1.00 0.00 N ATOM 1121 CA ARG A 72 8.331-116.216-106.635 1.00 0.00 C ATOM 1122 C ARG A 72 7.026-116.262-107.422 1.00 0.00 C ATOM 1123 O ARG A 72 7.023-116.344-108.652 1.00 0.00 O ATOM 1124 CB ARG A 72 8.529-117.540-105.881 1.00 0.00 C ATOM 1125 CG ARG A 72 9.607-117.487-104.805 1.00 0.00 C ATOM 1126 CD ARG A 72 10.543-118.685-104.883 1.00 0.00 C ATOM 1127 NE ARG A 72 9.893-119.927-104.458 1.00 0.00 N ATOM 1128 CZ ARG A 72 10.486-121.125-104.464 1.00 0.00 C ATOM 1129 NH1 ARG A 72 11.746-121.254-104.871 1.00 0.00 N ATOM 1130 NH2 ARG A 72 9.815-122.197-104.061 1.00 0.00 N ATOM 0 H ARG A 72 8.675-115.282-104.783 1.00 0.00 H new ATOM 0 HA ARG A 72 9.172-116.084-107.315 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.584-117.828-105.420 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.785-118.320-106.598 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.183-116.568-104.913 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.138-117.456-103.822 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.902-118.797-105.906 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.417-118.502-104.257 1.00 0.00 H new ATOM 0 HE ARG A 72 8.926-119.874-104.137 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.268-120.435-105.182 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.190-122.172-104.872 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.849-122.106-103.748 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.266-123.112-104.065 1.00 0.00 H new ATOM 1144 N ALA A 73 5.918-116.219-106.681 1.00 0.00 N ATOM 1145 CA ALA A 73 4.582-116.260-107.259 1.00 0.00 C ATOM 1146 C ALA A 73 4.363-115.125-108.260 1.00 0.00 C ATOM 1147 O ALA A 73 3.593-115.266-109.212 1.00 0.00 O ATOM 1148 CB ALA A 73 3.526-116.213-106.165 1.00 0.00 C ATOM 0 H ALA A 73 5.926-116.155-105.663 1.00 0.00 H new ATOM 0 HA ALA A 73 4.488-117.201-107.801 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.534-116.245-106.615 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.651-117.069-105.502 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.636-115.292-105.593 1.00 0.00 H new ATOM 1154 N LYS A 74 5.046-114.000-108.036 1.00 0.00 N ATOM 1155 CA LYS A 74 4.933-112.835-108.914 1.00 0.00 C ATOM 1156 C LYS A 74 5.907-112.906-110.097 1.00 0.00 C ATOM 1157 O LYS A 74 5.755-112.171-111.073 1.00 0.00 O ATOM 1158 CB LYS A 74 5.163-111.551-108.121 1.00 0.00 C ATOM 1159 CG LYS A 74 3.905-110.999-107.459 1.00 0.00 C ATOM 1160 CD LYS A 74 3.349-111.955-106.411 1.00 0.00 C ATOM 1161 CE LYS A 74 2.200-111.330-105.634 1.00 0.00 C ATOM 1162 NZ LYS A 74 1.646-112.261-104.611 1.00 0.00 N ATOM 0 H LYS A 74 5.685-113.872-107.251 1.00 0.00 H new ATOM 0 HA LYS A 74 3.922-112.833-109.322 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.913-111.740-107.353 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.573-110.793-108.788 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.131-110.040-106.992 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.147-110.813-108.219 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.006-112.868-106.897 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.143-112.240-105.721 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.546-110.419-105.146 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.410-111.040-106.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.866-111.796-104.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.292-113.120-105.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.393-112.518-103.935 1.00 0.00 H new ATOM 1176 N VAL A 75 6.900-113.799-110.012 1.00 0.00 N ATOM 1177 CA VAL A 75 7.887-113.976-111.072 1.00 0.00 C ATOM 1178 C VAL A 75 7.245-114.561-112.323 1.00 0.00 C ATOM 1179 O VAL A 75 7.625-114.233-113.449 1.00 0.00 O ATOM 1180 CB VAL A 75 9.005-114.920-110.613 1.00 0.00 C ATOM 1181 CG1 VAL A 75 10.053-115.080-111.691 1.00 0.00 C ATOM 1182 CG2 VAL A 75 9.624-114.432-109.320 1.00 0.00 C ATOM 0 H VAL A 75 7.038-114.414-109.210 1.00 0.00 H new ATOM 0 HA VAL A 75 8.300-112.993-111.301 1.00 0.00 H new ATOM 0 HB VAL A 75 8.566-115.900-110.426 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.835-115.754-111.341 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.592-115.493-112.588 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.489-114.108-111.922 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.414-115.117-109.014 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.044-113.437-109.470 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.860-114.390-108.544 1.00 0.00 H new ATOM 1192 N MET A 76 6.264-115.429-112.102 1.00 0.00 N ATOM 1193 CA MET A 76 5.535-116.086-113.187 1.00 0.00 C ATOM 1194 C MET A 76 4.796-115.080-114.085 1.00 0.00 C ATOM 1195 O MET A 76 4.477-115.396-115.231 1.00 0.00 O ATOM 1196 CB MET A 76 4.536-117.093-112.605 1.00 0.00 C ATOM 1197 CG MET A 76 5.167-118.421-112.201 1.00 0.00 C ATOM 1198 SD MET A 76 4.205-119.304-110.955 1.00 0.00 S ATOM 1199 CE MET A 76 2.744-119.742-111.894 1.00 0.00 C ATOM 0 H MET A 76 5.950-115.698-111.169 1.00 0.00 H new ATOM 0 HA MET A 76 6.267-116.602-113.808 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.054-116.650-111.733 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.754-117.282-113.340 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.274-119.051-113.084 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.171-118.239-111.816 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.023-120.231-111.239 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.298-118.841-112.315 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.020-120.421-112.701 1.00 0.00 H new ATOM 1209 N GLY A 77 4.516-113.875-113.572 1.00 0.00 N ATOM 1210 CA GLY A 77 3.809-112.876-114.369 1.00 0.00 C ATOM 1211 C GLY A 77 4.636-112.318-115.523 1.00 0.00 C ATOM 1212 O GLY A 77 4.074-111.872-116.524 1.00 0.00 O ATOM 0 H GLY A 77 4.764-113.576-112.629 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.897-113.321-114.768 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.505-112.054-113.720 1.00 0.00 H new ATOM 1216 N ARG A 78 5.968-112.342-115.393 1.00 0.00 N ATOM 1217 CA ARG A 78 6.859-111.834-116.446 1.00 0.00 C ATOM 1218 C ARG A 78 6.748-112.682-117.717 1.00 0.00 C ATOM 1219 O ARG A 78 6.994-112.193-118.822 1.00 0.00 O ATOM 1220 CB ARG A 78 8.313-111.785-115.936 1.00 0.00 C ATOM 1221 CG ARG A 78 9.382-112.019-117.002 1.00 0.00 C ATOM 1222 CD ARG A 78 9.453-110.867-118.002 1.00 0.00 C ATOM 1223 NE ARG A 78 9.940-111.303-119.314 1.00 0.00 N ATOM 1224 CZ ARG A 78 10.139-110.482-120.350 1.00 0.00 C ATOM 1225 NH1 ARG A 78 9.896-109.178-120.237 1.00 0.00 N ATOM 1226 NH2 ARG A 78 10.583-110.969-121.502 1.00 0.00 N ATOM 0 H ARG A 78 6.452-112.706-114.573 1.00 0.00 H new ATOM 0 HA ARG A 78 6.550-110.820-116.700 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.488-110.812-115.476 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.433-112.534-115.153 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.353-112.143-116.521 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.168-112.947-117.532 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.464-110.423-118.113 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.110-110.090-117.612 1.00 0.00 H new ATOM 0 HE ARG A 78 10.139-112.295-119.445 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.555-108.797-119.354 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.051-108.559-121.033 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.771-111.967-121.595 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.736-110.345-122.294 1.00 0.00 H new ATOM 1240 N LEU A 79 6.302-113.922-117.558 1.00 0.00 N ATOM 1241 CA LEU A 79 6.075-114.806-118.695 1.00 0.00 C ATOM 1242 C LEU A 79 4.608-114.687-119.091 1.00 0.00 C ATOM 1243 O LEU A 79 4.252-114.789-120.267 1.00 0.00 O ATOM 1244 CB LEU A 79 6.465-116.246-118.356 1.00 0.00 C ATOM 1245 CG LEU A 79 7.842-116.690-118.885 1.00 0.00 C ATOM 1246 CD1 LEU A 79 8.792-115.505-119.056 1.00 0.00 C ATOM 1247 CD2 LEU A 79 8.457-117.730-117.960 1.00 0.00 C ATOM 0 H LEU A 79 6.090-114.339-116.652 1.00 0.00 H new ATOM 0 HA LEU A 79 6.702-114.514-119.538 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.454-116.364-117.272 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.705-116.916-118.758 1.00 0.00 H new ATOM 0 HG LEU A 79 7.688-117.135-119.868 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.752-115.860-119.431 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.365-114.796-119.765 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.937-115.013-118.094 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.429-118.033-118.348 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.581-117.304-116.964 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.802-118.599-117.904 1.00 0.00 H new ATOM 1259 N ASP A 80 3.771-114.424-118.079 1.00 0.00 N ATOM 1260 CA ASP A 80 2.348-114.228-118.255 1.00 0.00 C ATOM 1261 C ASP A 80 2.085-113.055-119.195 1.00 0.00 C ATOM 1262 O ASP A 80 1.067-113.014-119.887 1.00 0.00 O ATOM 1263 CB ASP A 80 1.706-113.952-116.899 1.00 0.00 C ATOM 1264 CG ASP A 80 0.283-114.473-116.799 1.00 0.00 C ATOM 1265 OD1 ASP A 80 0.007-115.275-115.882 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -0.556-114.076-117.636 1.00 0.00 O ATOM 0 H ASP A 80 4.078-114.343-117.110 1.00 0.00 H new ATOM 0 HA ASP A 80 1.916-115.129-118.691 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.311-114.411-116.117 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.708-112.878-116.714 1.00 0.00 H new ATOM 1271 N LEU A 81 3.025-112.104-119.210 1.00 0.00 N ATOM 1272 CA LEU A 81 2.927-110.918-120.061 1.00 0.00 C ATOM 1273 C LEU A 81 2.695-111.302-121.525 1.00 0.00 C ATOM 1274 O LEU A 81 1.893-110.671-122.217 1.00 0.00 O ATOM 1275 CB LEU A 81 4.205-110.077-119.934 1.00 0.00 C ATOM 1276 CG LEU A 81 4.281-109.168-118.698 1.00 0.00 C ATOM 1277 CD1 LEU A 81 5.722-108.753-118.427 1.00 0.00 C ATOM 1278 CD2 LEU A 81 3.396-107.940-118.874 1.00 0.00 C ATOM 0 H LEU A 81 3.868-112.136-118.637 1.00 0.00 H new ATOM 0 HA LEU A 81 2.072-110.331-119.727 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.062-110.750-119.921 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.301-109.457-120.825 1.00 0.00 H new ATOM 0 HG LEU A 81 3.916-109.731-117.839 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.756-108.109-117.548 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.329-109.641-118.251 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.113-108.211-119.288 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.466-107.311-117.987 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.726-107.375-119.746 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.362-108.254-119.016 1.00 0.00 H new ATOM 1290 N ILE A 82 3.402-112.335-121.992 1.00 0.00 N ATOM 1291 CA ILE A 82 3.274-112.798-123.374 1.00 0.00 C ATOM 1292 C ILE A 82 1.893-113.406-123.618 1.00 0.00 C ATOM 1293 O ILE A 82 1.284-113.186-124.665 1.00 0.00 O ATOM 1294 CB ILE A 82 4.364-113.841-123.739 1.00 0.00 C ATOM 1295 CG1 ILE A 82 5.767-113.232-123.586 1.00 0.00 C ATOM 1296 CG2 ILE A 82 4.162-114.362-125.160 1.00 0.00 C ATOM 1297 CD1 ILE A 82 6.535-113.761-122.395 1.00 0.00 C ATOM 0 H ILE A 82 4.069-112.866-121.432 1.00 0.00 H new ATOM 0 HA ILE A 82 3.406-111.924-124.012 1.00 0.00 H new ATOM 0 HB ILE A 82 4.274-114.681-123.050 1.00 0.00 H new ATOM 0 HG12 ILE A 82 6.339-113.429-124.492 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.675-112.150-123.496 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.937-115.092-125.394 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.183-114.835-125.238 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.221-113.532-125.864 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.515-113.285-122.353 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.985-113.540-121.480 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.659-114.840-122.492 1.00 0.00 H new ATOM 1309 N ARG A 83 1.414-114.182-122.642 1.00 0.00 N ATOM 1310 CA ARG A 83 0.117-114.841-122.733 1.00 0.00 C ATOM 1311 C ARG A 83 -1.026-113.858-123.025 1.00 0.00 C ATOM 1312 O ARG A 83 -2.044-114.242-123.603 1.00 0.00 O ATOM 1313 CB ARG A 83 -0.174-115.615-121.453 1.00 0.00 C ATOM 1314 CG ARG A 83 0.501-116.967-121.417 1.00 0.00 C ATOM 1315 CD ARG A 83 0.499-117.573-120.019 1.00 0.00 C ATOM 1316 NE ARG A 83 -0.828-118.054-119.626 1.00 0.00 N ATOM 1317 CZ ARG A 83 -1.359-119.215-120.023 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -0.685-120.029-120.833 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -2.573-119.563-119.609 1.00 0.00 N ATOM 0 H ARG A 83 1.914-114.368-121.773 1.00 0.00 H new ATOM 0 HA ARG A 83 0.171-115.532-123.575 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.155-115.027-120.596 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.251-115.749-121.352 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.006-117.643-122.105 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.529-116.868-121.767 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.209-118.399-119.982 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.841-116.827-119.301 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.384-117.463-119.008 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.247-119.769-121.157 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.100-120.912-121.129 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.097-118.945-118.990 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.980-120.448-119.910 1.00 0.00 H new ATOM 1333 N SER A 84 -0.851-112.593-122.627 1.00 0.00 N ATOM 1334 CA SER A 84 -1.871-111.567-122.856 1.00 0.00 C ATOM 1335 C SER A 84 -1.726-110.948-124.248 1.00 0.00 C ATOM 1336 O SER A 84 -2.721-110.598-124.885 1.00 0.00 O ATOM 1337 CB SER A 84 -1.784-110.476-121.782 1.00 0.00 C ATOM 1338 OG SER A 84 -0.578-109.741-121.894 1.00 0.00 O ATOM 0 H SER A 84 -0.016-112.257-122.147 1.00 0.00 H new ATOM 0 HA SER A 84 -2.848-112.046-122.795 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.634-109.801-121.876 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.846-110.930-120.793 1.00 0.00 H new ATOM 0 HG SER A 84 0.185-110.342-121.764 1.00 0.00 H new ATOM 1344 N GLY A 85 -0.480-110.821-124.715 1.00 0.00 N ATOM 1345 CA GLY A 85 -0.219-110.254-126.025 1.00 0.00 C ATOM 1346 C GLY A 85 0.384-108.857-125.967 1.00 0.00 C ATOM 1347 O GLY A 85 0.868-108.350-126.979 1.00 0.00 O ATOM 0 H GLY A 85 0.355-111.104-124.202 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.458-110.912-126.570 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.151-110.217-126.589 1.00 0.00 H new