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 19 TYR OH : rot 15:sc= 0.178 USER MOD Set 1.2: A 76 MET CE :methyl -173:sc= -0.206 (180deg=-0.363) USER MOD Set 2.1: A 11 CYS SG : rot -72:sc= 0.285 USER MOD Set 2.2: A 37 HIS : no HE2:sc= -0.181 K(o=0.1,f=-0.9) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) 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 HE2:sc= 0.108 K(o=0.11,f=-0.59) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -0.698 K(o=-0.7,f=-2.6!) 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=-0.0049) USER MOD Single : A 52 GLN : amide:sc= -3.74! C(o=-3.7!,f=-7.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -19:sc= 0.55 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 0 5.642-136.850-138.706 1.00 0.00 N ATOM 22 CA HIS A 0 6.209-136.716-137.360 1.00 0.00 C ATOM 23 C HIS A 0 7.359-137.704-137.143 1.00 0.00 C ATOM 24 O HIS A 0 7.133-138.890-136.892 1.00 0.00 O ATOM 25 CB HIS A 0 5.122-136.916-136.292 1.00 0.00 C ATOM 26 CG HIS A 0 5.466-136.315-134.962 1.00 0.00 C ATOM 27 ND1 HIS A 0 6.184-136.986-133.996 1.00 0.00 N ATOM 28 CD2 HIS A 0 5.185-135.096-134.441 1.00 0.00 C ATOM 29 CE1 HIS A 0 6.331-136.208-132.938 1.00 0.00 C ATOM 30 NE2 HIS A 0 5.734-135.056-133.183 1.00 0.00 N ATOM 0 H1 HIS A 0 4.865-136.169-138.825 1.00 0.00 H new ATOM 0 H2 HIS A 0 6.380-136.661-139.414 1.00 0.00 H new ATOM 0 H3 HIS A 0 5.278-137.816-138.835 1.00 0.00 H new ATOM 0 HA HIS A 0 6.609-135.706-137.265 1.00 0.00 H new ATOM 0 HB2 HIS A 0 4.190-136.478-136.649 1.00 0.00 H new ATOM 0 HB3 HIS A 0 4.944-137.984-136.163 1.00 0.00 H new ATOM 0 HD2 HIS A 0 4.633-134.304-134.925 1.00 0.00 H new ATOM 0 HE1 HIS A 0 6.851-136.470-132.028 1.00 0.00 H new ATOM 0 HE2 HIS A 0 5.688-134.264-132.541 1.00 0.00 H new ATOM 39 N MET A 1 8.594-137.203-137.240 1.00 0.00 N ATOM 40 CA MET A 1 9.783-138.035-137.054 1.00 0.00 C ATOM 41 C MET A 1 10.352-137.865-135.645 1.00 0.00 C ATOM 42 O MET A 1 10.391-136.753-135.113 1.00 0.00 O ATOM 43 CB MET A 1 10.851-137.679-138.095 1.00 0.00 C ATOM 44 CG MET A 1 10.472-138.066-139.518 1.00 0.00 C ATOM 45 SD MET A 1 11.752-137.649-140.719 1.00 0.00 S ATOM 46 CE MET A 1 11.007-138.254-142.232 1.00 0.00 C ATOM 0 H MET A 1 8.795-136.225-137.446 1.00 0.00 H new ATOM 0 HA MET A 1 9.491-139.077-137.186 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.039-136.606-138.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.784-138.175-137.829 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.277-139.138-139.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.545-137.563-139.792 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.680-138.068-143.069 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.824-139.325-142.144 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.063-137.737-142.405 1.00 0.00 H new ATOM 56 N SER A 2 10.792-138.974-135.046 1.00 0.00 N ATOM 57 CA SER A 2 11.361-138.955-133.698 1.00 0.00 C ATOM 58 C SER A 2 12.609-139.833-133.619 1.00 0.00 C ATOM 59 O SER A 2 12.676-140.889-134.251 1.00 0.00 O ATOM 60 CB SER A 2 10.321-139.428-132.678 1.00 0.00 C ATOM 61 OG SER A 2 10.771-139.215-131.351 1.00 0.00 O ATOM 0 H SER A 2 10.765-139.899-135.475 1.00 0.00 H new ATOM 0 HA SER A 2 11.648-137.930-133.465 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.383-138.895-132.837 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.115-140.488-132.829 1.00 0.00 H new ATOM 0 HG SER A 2 10.088-139.524-130.720 1.00 0.00 H new ATOM 67 N ALA A 3 13.596-139.389-132.836 1.00 0.00 N ATOM 68 CA ALA A 3 14.844-140.131-132.669 1.00 0.00 C ATOM 69 C ALA A 3 15.342-140.051-131.226 1.00 0.00 C ATOM 70 O ALA A 3 16.192-139.221-130.896 1.00 0.00 O ATOM 71 CB ALA A 3 15.903-139.604-133.632 1.00 0.00 C ATOM 0 H ALA A 3 13.553-138.518-132.308 1.00 0.00 H new ATOM 0 HA ALA A 3 14.652-141.179-132.899 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.828-140.165-133.498 1.00 0.00 H new ATOM 0 HB2 ALA A 3 15.553-139.721-134.658 1.00 0.00 H new ATOM 0 HB3 ALA A 3 16.086-138.549-133.430 1.00 0.00 H new ATOM 77 N GLY A 4 14.802-140.920-130.369 1.00 0.00 N ATOM 78 CA GLY A 4 15.195-140.939-128.969 1.00 0.00 C ATOM 79 C GLY A 4 14.400-139.956-128.126 1.00 0.00 C ATOM 80 O GLY A 4 13.290-140.264-127.688 1.00 0.00 O ATOM 0 H GLY A 4 14.097-141.613-130.622 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.061-141.945-128.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.256-140.704-128.890 1.00 0.00 H new ATOM 84 N GLU A 5 14.971-138.771-127.898 1.00 0.00 N ATOM 85 CA GLU A 5 14.313-137.734-127.101 1.00 0.00 C ATOM 86 C GLU A 5 14.431-136.367-127.781 1.00 0.00 C ATOM 87 O GLU A 5 15.391-136.113-128.510 1.00 0.00 O ATOM 88 CB GLU A 5 14.926-137.674-125.696 1.00 0.00 C ATOM 89 CG GLU A 5 14.579-138.873-124.823 1.00 0.00 C ATOM 90 CD GLU A 5 15.170-138.771-123.429 1.00 0.00 C ATOM 91 OE1 GLU A 5 14.488-138.232-122.532 1.00 0.00 O ATOM 92 OE2 GLU A 5 16.315-139.232-123.235 1.00 0.00 O ATOM 0 H GLU A 5 15.889-138.506-128.255 1.00 0.00 H new ATOM 0 HA GLU A 5 13.256-137.989-127.018 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.010-137.603-125.785 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.587-136.765-125.200 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.495-138.962-124.748 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.941-139.783-125.301 1.00 0.00 H new ATOM 99 N PRO A 6 13.452-135.464-127.551 1.00 0.00 N ATOM 100 CA PRO A 6 13.457-134.123-128.149 1.00 0.00 C ATOM 101 C PRO A 6 14.450-133.180-127.466 1.00 0.00 C ATOM 102 O PRO A 6 14.628-133.231-126.247 1.00 0.00 O ATOM 103 CB PRO A 6 12.020-133.643-127.934 1.00 0.00 C ATOM 104 CG PRO A 6 11.571-134.343-126.698 1.00 0.00 C ATOM 105 CD PRO A 6 12.265-135.681-126.695 1.00 0.00 C ATOM 0 HA PRO A 6 13.766-134.140-129.194 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.977-132.560-127.814 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.386-133.895-128.785 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.831-133.768-125.809 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.488-134.466-126.692 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.549-135.982-125.687 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.622-136.466-127.094 1.00 0.00 H new ATOM 113 N HIS A 7 15.093-132.321-128.261 1.00 0.00 N ATOM 114 CA HIS A 7 16.070-131.363-127.739 1.00 0.00 C ATOM 115 C HIS A 7 15.745-129.941-128.200 1.00 0.00 C ATOM 116 O HIS A 7 15.593-129.036-127.379 1.00 0.00 O ATOM 117 CB HIS A 7 17.484-131.747-128.180 1.00 0.00 C ATOM 118 CG HIS A 7 18.002-132.980-127.524 1.00 0.00 C ATOM 119 ND1 HIS A 7 17.594-134.255-127.857 1.00 0.00 N ATOM 120 CD2 HIS A 7 18.907-133.119-126.546 1.00 0.00 C ATOM 121 CE1 HIS A 7 18.235-135.128-127.100 1.00 0.00 C ATOM 122 NE2 HIS A 7 19.042-134.461-126.293 1.00 0.00 N ATOM 0 H HIS A 7 14.954-132.270-129.270 1.00 0.00 H new ATOM 0 HA HIS A 7 16.019-131.391-126.651 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.492-131.890-129.260 1.00 0.00 H new ATOM 0 HB3 HIS A 7 18.160-130.920-127.963 1.00 0.00 H new ATOM 0 HD1 HIS A 7 16.907-134.487-128.574 1.00 0.00 H new ATOM 0 HD2 HIS A 7 19.435-132.320-126.047 1.00 0.00 H new ATOM 0 HE1 HIS A 7 18.120-136.201-127.135 1.00 0.00 H new ATOM 172 N CYS A 11 10.929-125.108-129.424 1.00 0.00 N ATOM 173 CA CYS A 11 11.322-124.285-128.284 1.00 0.00 C ATOM 174 C CYS A 11 10.105-123.668-127.614 1.00 0.00 C ATOM 175 O CYS A 11 9.999-123.677-126.390 1.00 0.00 O ATOM 176 CB CYS A 11 12.301-123.204-128.740 1.00 0.00 C ATOM 177 SG CYS A 11 13.881-123.868-129.359 1.00 0.00 S ATOM 0 HA CYS A 11 11.817-124.919-127.548 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.834-122.609-129.525 1.00 0.00 H new ATOM 0 HB3 CYS A 11 12.501-122.531-127.906 1.00 0.00 H new ATOM 0 HG CYS A 11 14.578-124.329-128.363 1.00 0.00 H new ATOM 182 N SER A 12 9.177-123.159-128.416 1.00 0.00 N ATOM 183 CA SER A 12 7.953-122.571-127.879 1.00 0.00 C ATOM 184 C SER A 12 7.195-123.624-127.064 1.00 0.00 C ATOM 185 O SER A 12 6.908-123.420-125.888 1.00 0.00 O ATOM 186 CB SER A 12 7.069-122.032-129.010 1.00 0.00 C ATOM 187 OG SER A 12 5.948-121.333-128.495 1.00 0.00 O ATOM 0 H SER A 12 9.246-123.141-129.433 1.00 0.00 H new ATOM 0 HA SER A 12 8.217-121.736-127.230 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.653-121.368-129.647 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.730-122.858-129.636 1.00 0.00 H new ATOM 0 HG SER A 12 5.402-120.998-129.237 1.00 0.00 H new ATOM 193 N GLU A 13 6.858-124.740-127.718 1.00 0.00 N ATOM 194 CA GLU A 13 6.116-125.831-127.082 1.00 0.00 C ATOM 195 C GLU A 13 6.721-126.222-125.737 1.00 0.00 C ATOM 196 O GLU A 13 5.999-126.354-124.749 1.00 0.00 O ATOM 197 CB GLU A 13 6.059-127.054-128.008 1.00 0.00 C ATOM 198 CG GLU A 13 4.777-127.865-127.881 1.00 0.00 C ATOM 199 CD GLU A 13 4.749-129.066-128.806 1.00 0.00 C ATOM 200 OE1 GLU A 13 5.209-130.149-128.387 1.00 0.00 O ATOM 201 OE2 GLU A 13 4.268-128.923-129.950 1.00 0.00 O ATOM 0 H GLU A 13 7.090-124.911-128.696 1.00 0.00 H new ATOM 0 HA GLU A 13 5.104-125.471-126.900 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.166-126.721-129.040 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.909-127.701-127.792 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.666-128.203-126.851 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.923-127.224-128.099 1.00 0.00 H new ATOM 208 N ILE A 14 8.041-126.394-125.694 1.00 0.00 N ATOM 209 CA ILE A 14 8.709-126.758-124.441 1.00 0.00 C ATOM 210 C ILE A 14 8.756-125.552-123.497 1.00 0.00 C ATOM 211 O ILE A 14 8.647-125.693-122.279 1.00 0.00 O ATOM 212 CB ILE A 14 10.134-127.325-124.680 1.00 0.00 C ATOM 213 CG1 ILE A 14 10.645-128.046-123.423 1.00 0.00 C ATOM 214 CG2 ILE A 14 11.106-126.230-125.108 1.00 0.00 C ATOM 215 CD1 ILE A 14 11.620-129.166-123.716 1.00 0.00 C ATOM 0 H ILE A 14 8.662-126.290-126.496 1.00 0.00 H new ATOM 0 HA ILE A 14 8.125-127.552-123.976 1.00 0.00 H new ATOM 0 HB ILE A 14 10.073-128.048-125.494 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.127-127.319-122.769 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.794-128.452-122.876 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.094-126.662-125.267 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.756-125.775-126.034 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.163-125.470-124.329 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.936-129.627-122.780 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.137-129.914-124.344 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.490-128.764-124.235 1.00 0.00 H new ATOM 227 N LEU A 15 8.888-124.364-124.084 1.00 0.00 N ATOM 228 CA LEU A 15 8.908-123.114-123.333 1.00 0.00 C ATOM 229 C LEU A 15 7.554-122.895-122.654 1.00 0.00 C ATOM 230 O LEU A 15 7.482-122.484-121.495 1.00 0.00 O ATOM 231 CB LEU A 15 9.223-121.978-124.290 1.00 0.00 C ATOM 232 CG LEU A 15 9.101-120.565-123.726 1.00 0.00 C ATOM 233 CD1 LEU A 15 9.679-120.457-122.316 1.00 0.00 C ATOM 234 CD2 LEU A 15 9.808-119.610-124.662 1.00 0.00 C ATOM 0 H LEU A 15 8.984-124.243-125.092 1.00 0.00 H new ATOM 0 HA LEU A 15 9.672-123.152-122.557 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.240-122.113-124.658 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.559-122.061-125.150 1.00 0.00 H new ATOM 0 HG LEU A 15 8.044-120.310-123.651 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.570-119.434-121.956 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.144-121.135-121.651 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.735-120.725-122.334 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.730-118.595-124.273 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.859-119.889-124.741 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.345-119.657-125.648 1.00 0.00 H new ATOM 246 N ASP A 16 6.486-123.236-123.378 1.00 0.00 N ATOM 247 CA ASP A 16 5.131-123.144-122.845 1.00 0.00 C ATOM 248 C ASP A 16 4.957-124.223-121.778 1.00 0.00 C ATOM 249 O ASP A 16 4.247-124.032-120.789 1.00 0.00 O ATOM 250 CB ASP A 16 4.091-123.314-123.960 1.00 0.00 C ATOM 251 CG ASP A 16 2.717-122.805-123.564 1.00 0.00 C ATOM 252 OD1 ASP A 16 1.917-123.605-123.036 1.00 0.00 O ATOM 253 OD2 ASP A 16 2.442-121.606-123.781 1.00 0.00 O ATOM 0 H ASP A 16 6.537-123.579-124.337 1.00 0.00 H new ATOM 0 HA ASP A 16 4.978-122.159-122.405 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.428-122.782-124.850 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.020-124.368-124.227 1.00 0.00 H new ATOM 258 N HIS A 17 5.662-125.348-121.977 1.00 0.00 N ATOM 259 CA HIS A 17 5.650-126.459-121.027 1.00 0.00 C ATOM 260 C HIS A 17 6.260-126.000-119.708 1.00 0.00 C ATOM 261 O HIS A 17 5.812-126.394-118.631 1.00 0.00 O ATOM 262 CB HIS A 17 6.474-127.639-121.566 1.00 0.00 C ATOM 263 CG HIS A 17 5.714-128.602-122.419 1.00 0.00 C ATOM 264 ND1 HIS A 17 4.787-128.216-123.359 1.00 0.00 N ATOM 265 CD2 HIS A 17 5.766-129.951-122.472 1.00 0.00 C ATOM 266 CE1 HIS A 17 4.292-129.289-123.953 1.00 0.00 C ATOM 267 NE2 HIS A 17 4.872-130.355-123.433 1.00 0.00 N ATOM 0 H HIS A 17 6.250-125.507-122.795 1.00 0.00 H new ATOM 0 HA HIS A 17 4.619-126.779-120.880 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.309-127.245-122.145 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.899-128.182-120.722 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.523-127.253-123.566 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.394-130.592-121.871 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.542-129.293-124.730 1.00 0.00 H new ATOM 276 N LEU A 18 7.293-125.156-119.814 1.00 0.00 N ATOM 277 CA LEU A 18 7.984-124.624-118.646 1.00 0.00 C ATOM 278 C LEU A 18 7.041-123.785-117.789 1.00 0.00 C ATOM 279 O LEU A 18 7.070-123.871-116.561 1.00 0.00 O ATOM 280 CB LEU A 18 9.193-123.790-119.083 1.00 0.00 C ATOM 281 CG LEU A 18 10.558-124.408-118.766 1.00 0.00 C ATOM 282 CD1 LEU A 18 10.660-124.746-117.283 1.00 0.00 C ATOM 283 CD2 LEU A 18 10.805-125.641-119.626 1.00 0.00 C ATOM 0 H LEU A 18 7.666-124.828-120.705 1.00 0.00 H new ATOM 0 HA LEU A 18 8.333-125.462-118.043 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.129-123.621-120.158 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.134-122.813-118.603 1.00 0.00 H new ATOM 0 HG LEU A 18 11.331-123.676-119.001 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.636-125.184-117.076 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.538-123.837-116.693 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.879-125.459-117.018 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.780-126.064-119.384 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.030-126.382-119.431 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.782-125.361-120.679 1.00 0.00 H new ATOM 295 N TYR A 19 6.194-122.987-118.444 1.00 0.00 N ATOM 296 CA TYR A 19 5.238-122.157-117.735 1.00 0.00 C ATOM 297 C TYR A 19 4.112-123.017-117.176 1.00 0.00 C ATOM 298 O TYR A 19 3.795-122.946-115.988 1.00 0.00 O ATOM 299 CB TYR A 19 4.670-121.085-118.656 1.00 0.00 C ATOM 300 CG TYR A 19 3.920-120.006-117.904 1.00 0.00 C ATOM 301 CD1 TYR A 19 4.591-118.949-117.289 1.00 0.00 C ATOM 302 CD2 TYR A 19 2.537-120.066-117.776 1.00 0.00 C ATOM 303 CE1 TYR A 19 3.896-117.992-116.574 1.00 0.00 C ATOM 304 CE2 TYR A 19 1.841-119.106-117.069 1.00 0.00 C ATOM 305 CZ TYR A 19 2.525-118.073-116.470 1.00 0.00 C ATOM 306 OH TYR A 19 1.835-117.117-115.759 1.00 0.00 O ATOM 0 H TYR A 19 6.157-122.904-119.460 1.00 0.00 H new ATOM 0 HA TYR A 19 5.753-121.665-116.910 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.483-120.630-119.222 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.000-121.551-119.379 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.665-118.878-117.372 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.997-120.879-118.238 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.427-117.182-116.097 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.766-119.165-116.986 1.00 0.00 H new ATOM 0 HH TYR A 19 2.416-116.344-115.601 1.00 0.00 H new ATOM 316 N GLU A 20 3.528-123.847-118.043 1.00 0.00 N ATOM 317 CA GLU A 20 2.450-124.755-117.641 1.00 0.00 C ATOM 318 C GLU A 20 2.860-125.509-116.379 1.00 0.00 C ATOM 319 O GLU A 20 2.143-125.517-115.378 1.00 0.00 O ATOM 320 CB GLU A 20 2.150-125.743-118.767 1.00 0.00 C ATOM 321 CG GLU A 20 0.961-125.345-119.625 1.00 0.00 C ATOM 322 CD GLU A 20 0.636-126.373-120.692 1.00 0.00 C ATOM 323 OE1 GLU A 20 -0.171-127.285-120.413 1.00 0.00 O ATOM 324 OE2 GLU A 20 1.189-126.268-121.807 1.00 0.00 O ATOM 0 H GLU A 20 3.783-123.910-119.029 1.00 0.00 H new ATOM 0 HA GLU A 20 1.551-124.175-117.436 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.031-125.835-119.402 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.963-126.727-118.336 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.089-125.203-118.986 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.167-124.386-120.101 1.00 0.00 H new ATOM 331 N PHE A 21 4.049-126.108-116.443 1.00 0.00 N ATOM 332 CA PHE A 21 4.634-126.844-115.322 1.00 0.00 C ATOM 333 C PHE A 21 4.651-125.963-114.071 1.00 0.00 C ATOM 334 O PHE A 21 4.240-126.386-112.989 1.00 0.00 O ATOM 335 CB PHE A 21 6.062-127.252-115.705 1.00 0.00 C ATOM 336 CG PHE A 21 6.726-128.220-114.764 1.00 0.00 C ATOM 337 CD1 PHE A 21 6.511-129.586-114.874 1.00 0.00 C ATOM 338 CD2 PHE A 21 7.595-127.758-113.790 1.00 0.00 C ATOM 339 CE1 PHE A 21 7.154-130.471-114.028 1.00 0.00 C ATOM 340 CE2 PHE A 21 8.233-128.634-112.941 1.00 0.00 C ATOM 341 CZ PHE A 21 8.015-129.997-113.061 1.00 0.00 C ATOM 0 H PHE A 21 4.636-126.096-117.277 1.00 0.00 H new ATOM 0 HA PHE A 21 4.041-127.733-115.105 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.042-127.694-116.701 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.675-126.353-115.768 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.835-129.962-115.628 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.775-126.697-113.695 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.982-131.533-114.125 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.903-128.259-112.182 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.518-130.686-112.399 1.00 0.00 H new ATOM 351 N LEU A 22 5.128-124.730-114.251 1.00 0.00 N ATOM 352 CA LEU A 22 5.213-123.742-113.166 1.00 0.00 C ATOM 353 C LEU A 22 3.832-123.427-112.572 1.00 0.00 C ATOM 354 O LEU A 22 3.716-123.149-111.376 1.00 0.00 O ATOM 355 CB LEU A 22 5.855-122.441-113.686 1.00 0.00 C ATOM 356 CG LEU A 22 7.332-122.237-113.318 1.00 0.00 C ATOM 357 CD1 LEU A 22 7.903-121.034-114.062 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.500-122.067-111.813 1.00 0.00 C ATOM 0 H LEU A 22 5.466-124.386-115.150 1.00 0.00 H new ATOM 0 HA LEU A 22 5.831-124.173-112.378 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.763-122.421-114.772 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.283-121.596-113.302 1.00 0.00 H new ATOM 0 HG LEU A 22 7.885-123.126-113.620 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.950-120.902-113.791 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.824-121.200-115.136 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.343-120.139-113.791 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.555-121.924-111.578 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.933-121.198-111.480 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.132-122.957-111.303 1.00 0.00 H new ATOM 370 N ASP A 23 2.794-123.456-113.416 1.00 0.00 N ATOM 371 CA ASP A 23 1.424-123.155-112.980 1.00 0.00 C ATOM 372 C ASP A 23 0.948-124.113-111.884 1.00 0.00 C ATOM 373 O ASP A 23 0.665-123.688-110.763 1.00 0.00 O ATOM 374 CB ASP A 23 0.463-123.199-114.178 1.00 0.00 C ATOM 375 CG ASP A 23 -0.789-122.371-113.952 1.00 0.00 C ATOM 376 OD1 ASP A 23 -1.785-122.927-113.443 1.00 0.00 O ATOM 377 OD2 ASP A 23 -0.773-121.167-114.284 1.00 0.00 O ATOM 0 H ASP A 23 2.876-123.685-114.407 1.00 0.00 H new ATOM 0 HA ASP A 23 1.428-122.150-112.558 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.979-122.836-115.067 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.180-124.233-114.374 1.00 0.00 H new ATOM 382 N LYS A 24 0.860-125.401-112.215 1.00 0.00 N ATOM 383 CA LYS A 24 0.414-126.417-111.260 1.00 0.00 C ATOM 384 C LYS A 24 1.496-126.732-110.227 1.00 0.00 C ATOM 385 O LYS A 24 1.212-127.309-109.175 1.00 0.00 O ATOM 386 CB LYS A 24 0.045-127.702-112.004 1.00 0.00 C ATOM 387 CG LYS A 24 1.234-128.387-112.677 1.00 0.00 C ATOM 388 CD LYS A 24 1.186-128.232-114.191 1.00 0.00 C ATOM 389 CE LYS A 24 0.378-129.341-114.849 1.00 0.00 C ATOM 390 NZ LYS A 24 0.326-129.191-116.331 1.00 0.00 N ATOM 0 H LYS A 24 1.092-125.767-113.139 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.456-126.020-110.738 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.414-128.398-111.302 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.705-127.471-112.760 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.163-127.962-112.296 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.239-129.446-112.419 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.749-127.266-114.443 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.201-128.237-114.589 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.816-130.307-114.598 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.636-129.337-114.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.234-129.967-116.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.116-128.281-116.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.291-129.220-116.717 1.00 0.00 H new ATOM 404 N GLU A 25 2.737-126.355-110.543 1.00 0.00 N ATOM 405 CA GLU A 25 3.878-126.596-109.669 1.00 0.00 C ATOM 406 C GLU A 25 3.945-128.062-109.226 1.00 0.00 C ATOM 407 O GLU A 25 3.788-128.378-108.044 1.00 0.00 O ATOM 408 CB GLU A 25 3.834-125.658-108.455 1.00 0.00 C ATOM 409 CG GLU A 25 5.174-125.494-107.753 1.00 0.00 C ATOM 410 CD GLU A 25 5.106-124.541-106.574 1.00 0.00 C ATOM 411 OE1 GLU A 25 4.839-125.007-105.447 1.00 0.00 O ATOM 412 OE2 GLU A 25 5.321-123.327-106.780 1.00 0.00 O ATOM 0 H GLU A 25 2.975-125.875-111.411 1.00 0.00 H new ATOM 0 HA GLU A 25 4.784-126.384-110.236 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.482-124.678-108.778 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.105-126.039-107.740 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.520-126.468-107.408 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.911-125.129-108.468 1.00 0.00 H new ATOM 419 N MET A 26 4.189-128.949-110.192 1.00 0.00 N ATOM 420 CA MET A 26 4.290-130.384-109.924 1.00 0.00 C ATOM 421 C MET A 26 5.707-130.741-109.461 1.00 0.00 C ATOM 422 O MET A 26 6.611-129.907-109.533 1.00 0.00 O ATOM 423 CB MET A 26 3.920-131.182-111.185 1.00 0.00 C ATOM 424 CG MET A 26 2.533-131.808-111.133 1.00 0.00 C ATOM 425 SD MET A 26 2.105-132.689-112.649 1.00 0.00 S ATOM 426 CE MET A 26 0.457-133.268-112.252 1.00 0.00 C ATOM 0 H MET A 26 4.321-128.697-111.171 1.00 0.00 H new ATOM 0 HA MET A 26 3.592-130.644-109.128 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.978-130.522-112.051 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.658-131.970-111.334 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.482-132.498-110.291 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.794-131.028-110.951 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.057-133.832-113.094 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.499-133.910-111.372 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.189-132.414-112.047 1.00 0.00 H new ATOM 436 N PRO A 27 5.925-131.986-108.975 1.00 0.00 N ATOM 437 CA PRO A 27 7.244-132.436-108.501 1.00 0.00 C ATOM 438 C PRO A 27 8.371-132.112-109.486 1.00 0.00 C ATOM 439 O PRO A 27 8.121-131.802-110.649 1.00 0.00 O ATOM 440 CB PRO A 27 7.068-133.950-108.360 1.00 0.00 C ATOM 441 CG PRO A 27 5.619-134.133-108.078 1.00 0.00 C ATOM 442 CD PRO A 27 4.904-133.050-108.841 1.00 0.00 C ATOM 0 HA PRO A 27 7.535-131.937-107.577 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.364-134.470-109.271 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.683-134.347-107.552 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.282-135.120-108.395 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.417-134.055-107.010 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.563-133.403-109.814 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.024-132.696-108.304 1.00 0.00 H new ATOM 450 N ASP A 28 9.615-132.193-109.007 1.00 0.00 N ATOM 451 CA ASP A 28 10.796-131.910-109.834 1.00 0.00 C ATOM 452 C ASP A 28 11.207-133.124-110.671 1.00 0.00 C ATOM 453 O ASP A 28 12.360-133.241-111.092 1.00 0.00 O ATOM 454 CB ASP A 28 11.959-131.487-108.940 1.00 0.00 C ATOM 455 CG ASP A 28 12.918-130.538-109.635 1.00 0.00 C ATOM 456 OD1 ASP A 28 13.922-131.018-110.205 1.00 0.00 O ATOM 457 OD2 ASP A 28 12.667-129.315-109.608 1.00 0.00 O ATOM 0 H ASP A 28 9.833-132.454-108.045 1.00 0.00 H new ATOM 0 HA ASP A 28 10.538-131.103-110.519 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.567-131.008-108.043 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.503-132.374-108.615 1.00 0.00 H new ATOM 462 N SER A 29 10.257-134.017-110.914 1.00 0.00 N ATOM 463 CA SER A 29 10.497-135.224-111.701 1.00 0.00 C ATOM 464 C SER A 29 10.476-134.917-113.192 1.00 0.00 C ATOM 465 O SER A 29 11.486-135.079-113.876 1.00 0.00 O ATOM 466 CB SER A 29 9.412-136.245-111.380 1.00 0.00 C ATOM 467 OG SER A 29 9.530-136.725-110.052 1.00 0.00 O ATOM 0 H SER A 29 9.300-133.928-110.573 1.00 0.00 H new ATOM 0 HA SER A 29 11.480-135.620-111.447 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.431-135.791-111.519 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.478-137.080-112.077 1.00 0.00 H new ATOM 0 HG SER A 29 8.820-137.377-109.875 1.00 0.00 H new ATOM 473 N ASP A 30 9.327-134.449-113.689 1.00 0.00 N ATOM 474 CA ASP A 30 9.205-134.095-115.098 1.00 0.00 C ATOM 475 C ASP A 30 10.197-132.982-115.396 1.00 0.00 C ATOM 476 O ASP A 30 10.935-133.042-116.379 1.00 0.00 O ATOM 477 CB ASP A 30 7.772-133.655-115.436 1.00 0.00 C ATOM 478 CG ASP A 30 7.075-134.616-116.380 1.00 0.00 C ATOM 479 OD1 ASP A 30 7.167-134.414-117.610 1.00 0.00 O ATOM 480 OD2 ASP A 30 6.436-135.571-115.889 1.00 0.00 O ATOM 0 H ASP A 30 8.479-134.309-113.140 1.00 0.00 H new ATOM 0 HA ASP A 30 9.425-134.965-115.716 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.194-133.573-114.515 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.797-132.663-115.887 1.00 0.00 H new ATOM 485 N ALA A 31 10.198-131.968-114.521 1.00 0.00 N ATOM 486 CA ALA A 31 11.090-130.818-114.642 1.00 0.00 C ATOM 487 C ALA A 31 12.442-131.205-115.244 1.00 0.00 C ATOM 488 O ALA A 31 12.963-130.500-116.105 1.00 0.00 O ATOM 489 CB ALA A 31 11.292-130.158-113.281 1.00 0.00 C ATOM 0 H ALA A 31 9.579-131.926-113.711 1.00 0.00 H new ATOM 0 HA ALA A 31 10.617-130.108-115.321 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.959-129.302-113.387 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.330-129.822-112.893 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.731-130.877-112.590 1.00 0.00 H new ATOM 495 N VAL A 32 13.023-132.312-114.758 1.00 0.00 N ATOM 496 CA VAL A 32 14.333-132.799-115.204 1.00 0.00 C ATOM 497 C VAL A 32 14.527-132.859-116.731 1.00 0.00 C ATOM 498 O VAL A 32 15.669-132.929-117.192 1.00 0.00 O ATOM 499 CB VAL A 32 14.612-134.199-114.591 1.00 0.00 C ATOM 500 CG1 VAL A 32 14.049-135.316-115.468 1.00 0.00 C ATOM 501 CG2 VAL A 32 16.103-134.397-114.349 1.00 0.00 C ATOM 0 H VAL A 32 12.593-132.896-114.041 1.00 0.00 H new ATOM 0 HA VAL A 32 15.049-132.058-114.847 1.00 0.00 H new ATOM 0 HB VAL A 32 14.101-134.246-113.630 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.262-136.281-115.009 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.971-135.192-115.568 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.512-135.273-116.454 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.274-135.384-113.920 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.639-134.315-115.294 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.464-133.634-113.660 1.00 0.00 H new ATOM 511 N LYS A 33 13.449-132.808-117.525 1.00 0.00 N ATOM 512 CA LYS A 33 13.579-132.833-118.983 1.00 0.00 C ATOM 513 C LYS A 33 13.688-131.408-119.536 1.00 0.00 C ATOM 514 O LYS A 33 13.647-131.192-120.749 1.00 0.00 O ATOM 515 CB LYS A 33 12.387-133.566-119.614 1.00 0.00 C ATOM 516 CG LYS A 33 12.687-134.165-120.982 1.00 0.00 C ATOM 517 CD LYS A 33 11.515-134.981-121.509 1.00 0.00 C ATOM 518 CE LYS A 33 11.828-135.610-122.859 1.00 0.00 C ATOM 519 NZ LYS A 33 10.699-136.441-123.364 1.00 0.00 N ATOM 0 H LYS A 33 12.489-132.750-117.185 1.00 0.00 H new ATOM 0 HA LYS A 33 14.491-133.372-119.240 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.065-134.362-118.942 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.553-132.870-119.707 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.920-133.366-121.686 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.571-134.799-120.916 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.265-135.763-120.792 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.638-134.341-121.601 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.051-134.825-123.581 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.722-136.228-122.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.954-136.850-124.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.502-137.206-122.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.852-135.847-123.472 1.00 0.00 H new ATOM 533 N PHE A 34 13.860-130.449-118.626 1.00 0.00 N ATOM 534 CA PHE A 34 14.015-129.052-118.982 1.00 0.00 C ATOM 535 C PHE A 34 15.499-128.687-119.010 1.00 0.00 C ATOM 536 O PHE A 34 15.910-127.782-119.735 1.00 0.00 O ATOM 537 CB PHE A 34 13.254-128.169-117.990 1.00 0.00 C ATOM 538 CG PHE A 34 11.755-128.380-117.976 1.00 0.00 C ATOM 539 CD1 PHE A 34 11.083-128.912-119.074 1.00 0.00 C ATOM 540 CD2 PHE A 34 11.017-128.034-116.855 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.709-129.091-119.047 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.647-128.213-116.825 1.00 0.00 C ATOM 543 CZ PHE A 34 8.992-128.740-117.919 1.00 0.00 C ATOM 0 H PHE A 34 13.895-130.627-117.622 1.00 0.00 H new ATOM 0 HA PHE A 34 13.599-128.884-119.975 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.642-128.353-116.988 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.458-127.124-118.224 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.640-129.188-119.957 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.519-127.619-115.994 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.200-129.504-119.905 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.087-127.940-115.943 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.921-128.878-117.894 1.00 0.00 H new ATOM 553 N GLU A 35 16.302-129.417-118.219 1.00 0.00 N ATOM 554 CA GLU A 35 17.747-129.191-118.158 1.00 0.00 C ATOM 555 C GLU A 35 18.417-129.525-119.495 1.00 0.00 C ATOM 556 O GLU A 35 19.469-128.975-119.821 1.00 0.00 O ATOM 557 CB GLU A 35 18.372-130.036-117.049 1.00 0.00 C ATOM 558 CG GLU A 35 17.924-129.645-115.649 1.00 0.00 C ATOM 559 CD GLU A 35 18.539-130.520-114.573 1.00 0.00 C ATOM 560 OE1 GLU A 35 19.630-130.170-114.075 1.00 0.00 O ATOM 561 OE2 GLU A 35 17.929-131.553-114.227 1.00 0.00 O ATOM 0 H GLU A 35 15.970-130.168-117.614 1.00 0.00 H new ATOM 0 HA GLU A 35 17.908-128.135-117.943 1.00 0.00 H new ATOM 0 HB2 GLU A 35 18.124-131.083-117.220 1.00 0.00 H new ATOM 0 HB3 GLU A 35 19.457-129.952-117.109 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.192-128.605-115.463 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.838-129.710-115.588 1.00 0.00 H new ATOM 568 N HIS A 36 17.802-130.434-120.263 1.00 0.00 N ATOM 569 CA HIS A 36 18.345-130.844-121.562 1.00 0.00 C ATOM 570 C HIS A 36 18.332-129.696-122.581 1.00 0.00 C ATOM 571 O HIS A 36 19.069-129.737-123.569 1.00 0.00 O ATOM 572 CB HIS A 36 17.556-132.038-122.114 1.00 0.00 C ATOM 573 CG HIS A 36 17.843-133.329-121.410 1.00 0.00 C ATOM 574 ND1 HIS A 36 18.686-134.294-121.920 1.00 0.00 N ATOM 575 CD2 HIS A 36 17.394-133.812-120.227 1.00 0.00 C ATOM 576 CE1 HIS A 36 18.743-135.314-121.083 1.00 0.00 C ATOM 577 NE2 HIS A 36 17.969-135.047-120.048 1.00 0.00 N ATOM 0 H HIS A 36 16.930-130.898-120.007 1.00 0.00 H new ATOM 0 HA HIS A 36 19.384-131.134-121.402 1.00 0.00 H new ATOM 0 HB2 HIS A 36 16.490-131.823-122.039 1.00 0.00 H new ATOM 0 HB3 HIS A 36 17.784-132.154-123.174 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.712-133.319-119.551 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.324-136.214-121.222 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.821-135.659-119.245 1.00 0.00 H new ATOM 586 N HIS A 37 17.493-128.679-122.349 1.00 0.00 N ATOM 587 CA HIS A 37 17.395-127.539-123.266 1.00 0.00 C ATOM 588 C HIS A 37 18.431-126.447-122.955 1.00 0.00 C ATOM 589 O HIS A 37 18.507-125.446-123.671 1.00 0.00 O ATOM 590 CB HIS A 37 15.979-126.944-123.249 1.00 0.00 C ATOM 591 CG HIS A 37 15.566-126.347-124.564 1.00 0.00 C ATOM 592 ND1 HIS A 37 14.665-126.948-125.419 1.00 0.00 N ATOM 593 CD2 HIS A 37 15.955-125.205-125.179 1.00 0.00 C ATOM 594 CE1 HIS A 37 14.523-126.203-126.503 1.00 0.00 C ATOM 595 NE2 HIS A 37 15.295-125.137-126.381 1.00 0.00 N ATOM 0 H HIS A 37 16.876-128.623-121.539 1.00 0.00 H new ATOM 0 HA HIS A 37 17.610-127.920-124.264 1.00 0.00 H new ATOM 0 HB2 HIS A 37 15.269-127.724-122.974 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.925-126.176-122.477 1.00 0.00 H new ATOM 0 HD1 HIS A 37 14.183-127.830-125.243 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.657-124.480-124.794 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.885-126.428-127.345 1.00 0.00 H new ATOM 603 N PHE A 38 19.244-126.639-121.910 1.00 0.00 N ATOM 604 CA PHE A 38 20.287-125.671-121.536 1.00 0.00 C ATOM 605 C PHE A 38 21.569-125.917-122.339 1.00 0.00 C ATOM 606 O PHE A 38 22.554-125.187-122.210 1.00 0.00 O ATOM 607 CB PHE A 38 20.613-125.835-120.055 1.00 0.00 C ATOM 608 CG PHE A 38 20.196-124.677-119.184 1.00 0.00 C ATOM 609 CD1 PHE A 38 20.897-123.480-119.201 1.00 0.00 C ATOM 610 CD2 PHE A 38 19.106-124.791-118.335 1.00 0.00 C ATOM 611 CE1 PHE A 38 20.521-122.429-118.394 1.00 0.00 C ATOM 612 CE2 PHE A 38 18.726-123.743-117.529 1.00 0.00 C ATOM 613 CZ PHE A 38 19.434-122.562-117.558 1.00 0.00 C ATOM 0 H PHE A 38 19.201-127.459-121.305 1.00 0.00 H new ATOM 0 HA PHE A 38 19.917-124.667-121.745 1.00 0.00 H new ATOM 0 HB2 PHE A 38 20.128-126.740-119.689 1.00 0.00 H new ATOM 0 HB3 PHE A 38 21.688-125.983-119.948 1.00 0.00 H new ATOM 0 HD1 PHE A 38 21.749-123.371-119.856 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.548-125.715-118.306 1.00 0.00 H new ATOM 0 HE1 PHE A 38 21.077-121.503-118.417 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.873-123.846-116.874 1.00 0.00 H new ATOM 0 HZ PHE A 38 19.137-121.739-116.925 1.00 0.00 H new ATOM 623 N GLU A 39 21.529-126.958-123.160 1.00 0.00 N ATOM 624 CA GLU A 39 22.662-127.347-124.001 1.00 0.00 C ATOM 625 C GLU A 39 23.055-126.220-124.968 1.00 0.00 C ATOM 626 O GLU A 39 23.837-125.338-124.604 1.00 0.00 O ATOM 627 CB GLU A 39 22.341-128.637-124.760 1.00 0.00 C ATOM 628 CG GLU A 39 22.657-129.903-123.975 1.00 0.00 C ATOM 629 CD GLU A 39 22.316-131.168-124.741 1.00 0.00 C ATOM 630 OE1 GLU A 39 23.079-131.530-125.661 1.00 0.00 O ATOM 631 OE2 GLU A 39 21.286-131.797-124.419 1.00 0.00 O ATOM 0 H GLU A 39 20.712-127.559-123.264 1.00 0.00 H new ATOM 0 HA GLU A 39 23.519-127.531-123.353 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.284-128.639-125.025 1.00 0.00 H new ATOM 0 HB3 GLU A 39 22.904-128.649-125.693 1.00 0.00 H new ATOM 0 HG2 GLU A 39 23.717-129.912-123.720 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.103-129.891-123.036 1.00 0.00 H new ATOM 801 N GLU A 51 14.085-116.549-119.178 1.00 0.00 N ATOM 802 CA GLU A 51 14.952-116.746-118.012 1.00 0.00 C ATOM 803 C GLU A 51 14.140-117.278-116.824 1.00 0.00 C ATOM 804 O GLU A 51 14.608-118.128-116.070 1.00 0.00 O ATOM 805 CB GLU A 51 15.643-115.432-117.628 1.00 0.00 C ATOM 806 CG GLU A 51 16.668-114.959-118.649 1.00 0.00 C ATOM 807 CD GLU A 51 17.348-113.666-118.241 1.00 0.00 C ATOM 808 OE1 GLU A 51 18.398-113.734-117.567 1.00 0.00 O ATOM 809 OE2 GLU A 51 16.830-112.586-118.594 1.00 0.00 O ATOM 0 HA GLU A 51 15.715-117.480-118.273 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.887-114.658-117.500 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.135-115.559-116.664 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.422-115.734-118.786 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.177-114.818-119.612 1.00 0.00 H new ATOM 816 N GLN A 52 12.924-116.746-116.677 1.00 0.00 N ATOM 817 CA GLN A 52 12.014-117.128-115.588 1.00 0.00 C ATOM 818 C GLN A 52 12.120-118.613-115.275 1.00 0.00 C ATOM 819 O GLN A 52 12.578-119.015-114.206 1.00 0.00 O ATOM 820 CB GLN A 52 10.548-116.867-115.942 1.00 0.00 C ATOM 821 CG GLN A 52 10.186-115.457-116.332 1.00 0.00 C ATOM 822 CD GLN A 52 11.098-114.393-115.734 1.00 0.00 C ATOM 823 OE1 GLN A 52 12.254-114.252-116.132 1.00 0.00 O ATOM 824 NE2 GLN A 52 10.576-113.628-114.780 1.00 0.00 N ATOM 0 H GLN A 52 12.541-116.040-117.306 1.00 0.00 H new ATOM 0 HA GLN A 52 12.314-116.520-114.734 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.274-117.528-116.764 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.936-117.151-115.086 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.212-115.374-117.419 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.160-115.257-116.022 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.613-113.776-114.477 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.138-112.893-114.351 1.00 0.00 H new ATOM 833 N ALA A 53 11.649-119.410-116.229 1.00 0.00 N ATOM 834 CA ALA A 53 11.626-120.864-116.104 1.00 0.00 C ATOM 835 C ALA A 53 13.022-121.475-115.957 1.00 0.00 C ATOM 836 O ALA A 53 13.336-122.066-114.924 1.00 0.00 O ATOM 837 CB ALA A 53 10.902-121.468-117.299 1.00 0.00 C ATOM 0 H ALA A 53 11.272-119.066-117.112 1.00 0.00 H new ATOM 0 HA ALA A 53 11.090-121.102-115.185 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.886-122.554-117.204 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.880-121.092-117.333 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.421-121.192-118.217 1.00 0.00 H new ATOM 843 N VAL A 54 13.842-121.366-117.005 1.00 0.00 N ATOM 844 CA VAL A 54 15.188-121.942-117.002 1.00 0.00 C ATOM 845 C VAL A 54 15.976-121.608-115.732 1.00 0.00 C ATOM 846 O VAL A 54 16.710-122.453-115.218 1.00 0.00 O ATOM 847 CB VAL A 54 15.995-121.511-118.250 1.00 0.00 C ATOM 848 CG1 VAL A 54 15.323-122.009-119.525 1.00 0.00 C ATOM 849 CG2 VAL A 54 16.185-120.000-118.290 1.00 0.00 C ATOM 0 H VAL A 54 13.596-120.883-117.869 1.00 0.00 H new ATOM 0 HA VAL A 54 15.046-123.022-117.027 1.00 0.00 H new ATOM 0 HB VAL A 54 16.983-121.967-118.184 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.907-121.695-120.390 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.263-123.097-119.503 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.319-121.591-119.594 1.00 0.00 H new ATOM 0 HG21 VAL A 54 16.756-119.728-119.178 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.211-119.512-118.321 1.00 0.00 H new ATOM 0 HG23 VAL A 54 16.725-119.677-117.400 1.00 0.00 H new ATOM 859 N LYS A 55 15.812-120.393-115.216 1.00 0.00 N ATOM 860 CA LYS A 55 16.504-119.989-113.991 1.00 0.00 C ATOM 861 C LYS A 55 15.900-120.719-112.788 1.00 0.00 C ATOM 862 O LYS A 55 16.614-121.157-111.886 1.00 0.00 O ATOM 863 CB LYS A 55 16.406-118.468-113.786 1.00 0.00 C ATOM 864 CG LYS A 55 17.281-117.661-114.738 1.00 0.00 C ATOM 865 CD LYS A 55 18.732-117.619-114.275 1.00 0.00 C ATOM 866 CE LYS A 55 19.598-116.793-115.216 1.00 0.00 C ATOM 867 NZ LYS A 55 21.020-116.747-114.772 1.00 0.00 N ATOM 0 H LYS A 55 15.212-119.675-115.621 1.00 0.00 H new ATOM 0 HA LYS A 55 17.557-120.256-114.084 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.368-118.160-113.912 1.00 0.00 H new ATOM 0 HB3 LYS A 55 16.687-118.230-112.760 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.230-118.097-115.736 1.00 0.00 H new ATOM 0 HG3 LYS A 55 16.894-116.645-114.814 1.00 0.00 H new ATOM 0 HD2 LYS A 55 18.782-117.198-113.271 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.125-118.634-114.215 1.00 0.00 H new ATOM 0 HE2 LYS A 55 19.545-117.214-116.220 1.00 0.00 H new ATOM 0 HE3 LYS A 55 19.204-115.779-115.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 21.574-116.175-115.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.074-116.322-113.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.405-117.712-114.741 1.00 0.00 H new ATOM 881 N LYS A 56 14.570-120.837-112.799 1.00 0.00 N ATOM 882 CA LYS A 56 13.818-121.502-111.738 1.00 0.00 C ATOM 883 C LYS A 56 14.133-122.994-111.631 1.00 0.00 C ATOM 884 O LYS A 56 14.377-123.509-110.540 1.00 0.00 O ATOM 885 CB LYS A 56 12.324-121.336-112.003 1.00 0.00 C ATOM 886 CG LYS A 56 11.702-120.089-111.381 1.00 0.00 C ATOM 887 CD LYS A 56 12.207-119.824-109.970 1.00 0.00 C ATOM 888 CE LYS A 56 11.407-118.726-109.283 1.00 0.00 C ATOM 889 NZ LYS A 56 12.215-118.005-108.259 1.00 0.00 N ATOM 0 H LYS A 56 13.984-120.471-113.549 1.00 0.00 H new ATOM 0 HA LYS A 56 14.110-121.035-110.797 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.161-121.308-113.080 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.802-122.214-111.624 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.922-119.226-112.009 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.618-120.200-111.360 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.146-120.741-109.383 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.258-119.539-110.007 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.050-118.016-110.029 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.526-119.161-108.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.633-117.266-107.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.534-118.677-107.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.042-117.568-108.714 1.00 0.00 H new ATOM 903 N LEU A 57 14.109-123.680-112.773 1.00 0.00 N ATOM 904 CA LEU A 57 14.373-125.118-112.817 1.00 0.00 C ATOM 905 C LEU A 57 15.737-125.450-112.206 1.00 0.00 C ATOM 906 O LEU A 57 15.863-126.396-111.428 1.00 0.00 O ATOM 907 CB LEU A 57 14.261-125.636-114.256 1.00 0.00 C ATOM 908 CG LEU A 57 15.528-125.527-115.102 1.00 0.00 C ATOM 909 CD1 LEU A 57 16.449-126.720-114.869 1.00 0.00 C ATOM 910 CD2 LEU A 57 15.183-125.400-116.578 1.00 0.00 C ATOM 0 H LEU A 57 13.909-123.262-113.682 1.00 0.00 H new ATOM 0 HA LEU A 57 13.619-125.625-112.215 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.958-126.682-114.223 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.463-125.089-114.758 1.00 0.00 H new ATOM 0 HG LEU A 57 16.058-124.626-114.793 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.343-126.615-115.484 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.735-126.759-113.818 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.929-127.639-115.138 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.101-125.324-117.161 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.622-126.278-116.897 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.578-124.507-116.735 1.00 0.00 H new ATOM 922 N VAL A 58 16.748-124.659-112.560 1.00 0.00 N ATOM 923 CA VAL A 58 18.105-124.858-112.043 1.00 0.00 C ATOM 924 C VAL A 58 18.185-124.502-110.557 1.00 0.00 C ATOM 925 O VAL A 58 18.831-125.208-109.779 1.00 0.00 O ATOM 926 CB VAL A 58 19.144-124.031-112.830 1.00 0.00 C ATOM 927 CG1 VAL A 58 20.535-124.161-112.214 1.00 0.00 C ATOM 928 CG2 VAL A 58 19.166-124.445-114.296 1.00 0.00 C ATOM 0 H VAL A 58 16.655-123.873-113.203 1.00 0.00 H new ATOM 0 HA VAL A 58 18.339-125.915-112.170 1.00 0.00 H new ATOM 0 HB VAL A 58 18.848-122.984-112.773 1.00 0.00 H new ATOM 0 HG11 VAL A 58 21.245-123.568-112.790 1.00 0.00 H new ATOM 0 HG12 VAL A 58 20.512-123.802-111.185 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.842-125.207-112.226 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.905-123.849-114.831 1.00 0.00 H new ATOM 0 HG22 VAL A 58 19.427-125.501-114.372 1.00 0.00 H new ATOM 0 HG23 VAL A 58 18.182-124.282-114.735 1.00 0.00 H new ATOM 938 N LYS A 59 17.523-123.410-110.170 1.00 0.00 N ATOM 939 CA LYS A 59 17.514-122.963-108.777 1.00 0.00 C ATOM 940 C LYS A 59 16.779-123.964-107.882 1.00 0.00 C ATOM 941 O LYS A 59 17.162-124.176-106.731 1.00 0.00 O ATOM 942 CB LYS A 59 16.862-121.579-108.663 1.00 0.00 C ATOM 943 CG LYS A 59 17.809-120.426-108.974 1.00 0.00 C ATOM 944 CD LYS A 59 17.604-119.255-108.023 1.00 0.00 C ATOM 945 CE LYS A 59 18.507-118.078-108.372 1.00 0.00 C ATOM 946 NZ LYS A 59 19.917-118.310-107.948 1.00 0.00 N ATOM 0 H LYS A 59 16.985-122.818-110.803 1.00 0.00 H new ATOM 0 HA LYS A 59 18.548-122.897-108.440 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.011-121.531-109.342 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.471-121.454-107.653 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.840-120.774-108.906 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.652-120.093-110.000 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.562-118.937-108.058 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.805-119.577-107.001 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.476-117.904-109.448 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.128-117.176-107.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 20.497-117.485-108.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.951-118.451-106.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.288-119.156-108.425 1.00 0.00 H new ATOM 960 N ARG A 60 15.725-124.581-108.425 1.00 0.00 N ATOM 961 CA ARG A 60 14.939-125.563-107.687 1.00 0.00 C ATOM 962 C ARG A 60 15.743-126.845-107.468 1.00 0.00 C ATOM 963 O ARG A 60 16.489-126.957-106.496 1.00 0.00 O ATOM 964 CB ARG A 60 13.647-125.878-108.440 1.00 0.00 C ATOM 965 CG ARG A 60 12.642-124.745-108.450 1.00 0.00 C ATOM 966 CD ARG A 60 11.600-124.897-107.346 1.00 0.00 C ATOM 967 NE ARG A 60 10.423-124.056-107.578 1.00 0.00 N ATOM 968 CZ ARG A 60 9.432-124.361-108.423 1.00 0.00 C ATOM 969 NH1 ARG A 60 9.463-125.488-109.130 1.00 0.00 N ATOM 970 NH2 ARG A 60 8.405-123.530-108.561 1.00 0.00 N ATOM 0 H ARG A 60 15.399-124.414-109.377 1.00 0.00 H new ATOM 0 HA ARG A 60 14.689-125.141-106.714 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.894-126.139-109.469 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.183-126.756-107.991 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.164-123.796-108.328 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.142-124.712-109.418 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.292-125.940-107.280 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.048-124.636-106.387 1.00 0.00 H new ATOM 0 HE ARG A 60 10.355-123.180-107.061 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.249-126.131-109.031 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.701-125.709-109.771 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.374-122.663-108.024 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.647-123.758-109.204 1.00 0.00 H new ATOM 1101 N LEU A 71 8.124-113.890-104.408 1.00 0.00 N ATOM 1102 CA LEU A 71 8.575-113.394-105.708 1.00 0.00 C ATOM 1103 C LEU A 71 8.368-114.453-106.782 1.00 0.00 C ATOM 1104 O LEU A 71 7.859-114.155-107.859 1.00 0.00 O ATOM 1105 CB LEU A 71 10.036-112.968-105.657 1.00 0.00 C ATOM 1106 CG LEU A 71 10.447-111.926-106.707 1.00 0.00 C ATOM 1107 CD1 LEU A 71 10.692-112.599-108.048 1.00 0.00 C ATOM 1108 CD2 LEU A 71 9.387-110.838-106.847 1.00 0.00 C ATOM 0 HA LEU A 71 7.977-112.518-105.960 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.247-112.565-104.666 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.661-113.852-105.781 1.00 0.00 H new ATOM 0 HG LEU A 71 11.371-111.455-106.373 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.983-111.849-108.784 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.489-113.335-107.945 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.780-113.096-108.378 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.705-110.114-107.597 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.443-111.287-107.154 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.255-110.334-105.890 1.00 0.00 H new ATOM 1120 N ARG A 72 8.762-115.688-106.471 1.00 0.00 N ATOM 1121 CA ARG A 72 8.610-116.811-107.403 1.00 0.00 C ATOM 1122 C ARG A 72 7.274-116.687-108.129 1.00 0.00 C ATOM 1123 O ARG A 72 7.202-116.767-109.357 1.00 0.00 O ATOM 1124 CB ARG A 72 8.674-118.153-106.659 1.00 0.00 C ATOM 1125 CG ARG A 72 9.802-118.242-105.638 1.00 0.00 C ATOM 1126 CD ARG A 72 10.572-119.549-105.758 1.00 0.00 C ATOM 1127 NE ARG A 72 11.915-119.455-105.178 1.00 0.00 N ATOM 1128 CZ ARG A 72 12.771-120.477-105.100 1.00 0.00 C ATOM 1129 NH1 ARG A 72 12.435-121.679-105.560 1.00 0.00 N ATOM 1130 NH2 ARG A 72 13.971-120.295-104.559 1.00 0.00 N ATOM 0 H ARG A 72 9.190-115.939-105.580 1.00 0.00 H new ATOM 0 HA ARG A 72 9.427-116.781-108.123 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.724-118.321-106.151 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.793-118.955-107.387 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.485-117.404-105.777 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.390-118.154-104.633 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.017-120.343-105.258 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.650-119.827-106.809 1.00 0.00 H new ATOM 0 HE ARG A 72 12.215-118.552-104.811 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.516-121.827-105.977 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.096-122.453-105.496 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.237-119.376-104.204 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.627-121.074-104.498 1.00 0.00 H new ATOM 1144 N ALA A 73 6.221-116.501-107.336 1.00 0.00 N ATOM 1145 CA ALA A 73 4.863-116.370-107.845 1.00 0.00 C ATOM 1146 C ALA A 73 4.731-115.202-108.823 1.00 0.00 C ATOM 1147 O ALA A 73 3.928-115.253-109.755 1.00 0.00 O ATOM 1148 CB ALA A 73 3.878-116.208-106.694 1.00 0.00 C ATOM 0 H ALA A 73 6.289-116.437-106.320 1.00 0.00 H new ATOM 0 HA ALA A 73 4.629-117.284-108.390 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.867-116.111-107.091 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.931-117.082-106.044 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.130-115.315-106.122 1.00 0.00 H new ATOM 1154 N LYS A 74 5.527-114.154-108.604 1.00 0.00 N ATOM 1155 CA LYS A 74 5.503-112.967-109.464 1.00 0.00 C ATOM 1156 C LYS A 74 6.382-113.136-110.711 1.00 0.00 C ATOM 1157 O LYS A 74 6.252-112.373-111.670 1.00 0.00 O ATOM 1158 CB LYS A 74 5.941-111.736-108.677 1.00 0.00 C ATOM 1159 CG LYS A 74 4.800-111.018-107.966 1.00 0.00 C ATOM 1160 CD LYS A 74 4.187-111.879-106.869 1.00 0.00 C ATOM 1161 CE LYS A 74 3.064-111.150-106.142 1.00 0.00 C ATOM 1162 NZ LYS A 74 1.812-111.100-106.947 1.00 0.00 N ATOM 0 H LYS A 74 6.198-114.102-107.837 1.00 0.00 H new ATOM 0 HA LYS A 74 4.476-112.835-109.804 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.685-112.035-107.939 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.429-111.037-109.357 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.169-110.087-107.534 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.031-110.751-108.691 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.801-112.801-107.303 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.960-112.162-106.154 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.864-111.648-105.193 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.384-110.135-105.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.076-110.595-106.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.994-110.602-107.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.490-112.068-107.149 1.00 0.00 H new ATOM 1176 N VAL A 75 7.267-114.137-110.699 1.00 0.00 N ATOM 1177 CA VAL A 75 8.157-114.411-111.825 1.00 0.00 C ATOM 1178 C VAL A 75 7.370-114.870-113.049 1.00 0.00 C ATOM 1179 O VAL A 75 7.714-114.545-114.187 1.00 0.00 O ATOM 1180 CB VAL A 75 9.169-115.504-111.450 1.00 0.00 C ATOM 1181 CG1 VAL A 75 10.148-115.752-112.576 1.00 0.00 C ATOM 1182 CG2 VAL A 75 9.897-115.145-110.170 1.00 0.00 C ATOM 0 H VAL A 75 7.385-114.775-109.912 1.00 0.00 H new ATOM 0 HA VAL A 75 8.680-113.485-112.064 1.00 0.00 H new ATOM 0 HB VAL A 75 8.617-116.428-111.280 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.852-116.530-112.281 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.606-116.071-113.466 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.693-114.833-112.793 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.609-115.933-109.923 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.430-114.204-110.306 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.176-115.040-109.359 1.00 0.00 H new ATOM 1192 N MET A 76 6.309-115.625-112.790 1.00 0.00 N ATOM 1193 CA MET A 76 5.439-116.151-113.844 1.00 0.00 C ATOM 1194 C MET A 76 4.739-115.035-114.640 1.00 0.00 C ATOM 1195 O MET A 76 4.279-115.267-115.757 1.00 0.00 O ATOM 1196 CB MET A 76 4.385-117.080-113.227 1.00 0.00 C ATOM 1197 CG MET A 76 4.887-118.496-112.970 1.00 0.00 C ATOM 1198 SD MET A 76 3.888-119.383-111.756 1.00 0.00 S ATOM 1199 CE MET A 76 2.336-119.544-112.637 1.00 0.00 C ATOM 0 H MET A 76 6.025-115.891-111.847 1.00 0.00 H new ATOM 0 HA MET A 76 6.070-116.703-114.541 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.042-116.650-112.286 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.521-117.126-113.891 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.889-119.052-113.908 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.919-118.453-112.623 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.581-119.960-111.970 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.012-118.563-112.985 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.470-120.207-113.492 1.00 0.00 H new ATOM 1209 N GLY A 77 4.647-113.827-114.076 1.00 0.00 N ATOM 1210 CA GLY A 77 3.985-112.736-114.779 1.00 0.00 C ATOM 1211 C GLY A 77 4.718-112.286-116.041 1.00 0.00 C ATOM 1212 O GLY A 77 4.093-111.750-116.957 1.00 0.00 O ATOM 0 H GLY A 77 5.015-113.587-113.155 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.976-113.048-115.047 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.887-111.886-114.103 1.00 0.00 H new ATOM 1216 N ARG A 78 6.038-112.511-116.103 1.00 0.00 N ATOM 1217 CA ARG A 78 6.830-112.128-117.283 1.00 0.00 C ATOM 1218 C ARG A 78 6.445-112.982-118.488 1.00 0.00 C ATOM 1219 O ARG A 78 6.610-112.569-119.637 1.00 0.00 O ATOM 1220 CB ARG A 78 8.340-112.249-116.989 1.00 0.00 C ATOM 1221 CG ARG A 78 9.162-112.945-118.080 1.00 0.00 C ATOM 1222 CD ARG A 78 9.425-112.027-119.269 1.00 0.00 C ATOM 1223 NE ARG A 78 10.684-111.290-119.132 1.00 0.00 N ATOM 1224 CZ ARG A 78 11.893-111.806-119.383 1.00 0.00 C ATOM 1225 NH1 ARG A 78 12.024-113.069-119.782 1.00 0.00 N ATOM 1226 NH2 ARG A 78 12.976-111.054-119.231 1.00 0.00 N ATOM 0 H ARG A 78 6.577-112.952-115.358 1.00 0.00 H new ATOM 0 HA ARG A 78 6.612-111.086-117.518 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.745-111.249-116.833 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.470-112.795-116.054 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.112-113.278-117.662 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.634-113.836-118.419 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.450-112.619-120.184 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.601-111.320-119.369 1.00 0.00 H new ATOM 0 HE ARG A 78 10.636-110.319-118.825 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.197-113.655-119.900 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.951-113.451-119.970 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.885-110.086-118.924 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.899-111.444-119.422 1.00 0.00 H new ATOM 1240 N LEU A 79 5.871-114.143-118.211 1.00 0.00 N ATOM 1241 CA LEU A 79 5.390-115.031-119.255 1.00 0.00 C ATOM 1242 C LEU A 79 3.918-114.720-119.475 1.00 0.00 C ATOM 1243 O LEU A 79 3.415-114.739-120.601 1.00 0.00 O ATOM 1244 CB LEU A 79 5.592-116.489-118.853 1.00 0.00 C ATOM 1245 CG LEU A 79 7.051-116.900-118.606 1.00 0.00 C ATOM 1246 CD1 LEU A 79 7.372-116.872-117.118 1.00 0.00 C ATOM 1247 CD2 LEU A 79 7.362-118.263-119.207 1.00 0.00 C ATOM 0 H LEU A 79 5.727-114.493-117.264 1.00 0.00 H new ATOM 0 HA LEU A 79 5.947-114.877-120.179 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.018-116.683-117.947 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.179-117.126-119.635 1.00 0.00 H new ATOM 0 HG LEU A 79 7.689-116.173-119.109 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.410-117.166-116.964 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.219-115.864-116.732 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.716-117.565-116.591 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.403-118.518-119.011 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.714-119.015-118.758 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.192-118.233-120.283 1.00 0.00 H new ATOM 1259 N ASP A 80 3.246-114.411-118.360 1.00 0.00 N ATOM 1260 CA ASP A 80 1.844-114.060-118.344 1.00 0.00 C ATOM 1261 C ASP A 80 1.550-112.894-119.294 1.00 0.00 C ATOM 1262 O ASP A 80 0.486-112.847-119.914 1.00 0.00 O ATOM 1263 CB ASP A 80 1.428-113.691-116.911 1.00 0.00 C ATOM 1264 CG ASP A 80 -0.048-113.924-116.649 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -0.856-113.020-116.951 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -0.397-115.011-116.143 1.00 0.00 O ATOM 0 H ASP A 80 3.678-114.401-117.436 1.00 0.00 H new ATOM 0 HA ASP A 80 1.268-114.920-118.686 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.015-114.278-116.205 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.664-112.643-116.728 1.00 0.00 H new ATOM 1271 N LEU A 81 2.494-111.946-119.394 1.00 0.00 N ATOM 1272 CA LEU A 81 2.319-110.779-120.260 1.00 0.00 C ATOM 1273 C LEU A 81 2.075-111.186-121.719 1.00 0.00 C ATOM 1274 O LEU A 81 1.284-110.549-122.418 1.00 0.00 O ATOM 1275 CB LEU A 81 3.525-109.827-120.142 1.00 0.00 C ATOM 1276 CG LEU A 81 4.769-110.192-120.972 1.00 0.00 C ATOM 1277 CD1 LEU A 81 4.709-109.546-122.353 1.00 0.00 C ATOM 1278 CD2 LEU A 81 6.038-109.771-120.241 1.00 0.00 C ATOM 0 H LEU A 81 3.379-111.967-118.888 1.00 0.00 H new ATOM 0 HA LEU A 81 1.430-110.247-119.922 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.201-108.828-120.433 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.817-109.774-119.093 1.00 0.00 H new ATOM 0 HG LEU A 81 4.786-111.274-121.103 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.599-109.818-122.921 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.821-109.895-122.880 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.664-108.462-122.246 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.909-110.036-120.841 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.024-108.693-120.079 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.091-110.282-119.280 1.00 0.00 H new ATOM 1290 N ILE A 82 2.758-112.239-122.178 1.00 0.00 N ATOM 1291 CA ILE A 82 2.611-112.713-123.555 1.00 0.00 C ATOM 1292 C ILE A 82 1.213-113.286-123.787 1.00 0.00 C ATOM 1293 O ILE A 82 0.618-113.079-124.846 1.00 0.00 O ATOM 1294 CB ILE A 82 3.673-113.787-123.911 1.00 0.00 C ATOM 1295 CG1 ILE A 82 5.090-113.199-123.812 1.00 0.00 C ATOM 1296 CG2 ILE A 82 3.429-114.351-125.309 1.00 0.00 C ATOM 1297 CD1 ILE A 82 5.871-113.686-122.612 1.00 0.00 C ATOM 0 H ILE A 82 3.417-112.778-121.616 1.00 0.00 H new ATOM 0 HA ILE A 82 2.762-111.851-124.204 1.00 0.00 H new ATOM 0 HB ILE A 82 3.583-114.602-123.193 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.641-113.449-124.718 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.020-112.112-123.771 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.186-115.102-125.536 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.441-114.809-125.349 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.486-113.546-126.041 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.860-113.227-122.611 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.343-113.412-121.699 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.974-114.770-122.660 1.00 0.00 H new ATOM 1309 N ARG A 83 0.703-114.018-122.793 1.00 0.00 N ATOM 1310 CA ARG A 83 -0.615-114.639-122.875 1.00 0.00 C ATOM 1311 C ARG A 83 -1.716-113.644-123.266 1.00 0.00 C ATOM 1312 O ARG A 83 -2.716-114.031-123.873 1.00 0.00 O ATOM 1313 CB ARG A 83 -0.969-115.307-121.551 1.00 0.00 C ATOM 1314 CG ARG A 83 -0.360-116.682-121.401 1.00 0.00 C ATOM 1315 CD ARG A 83 -0.437-117.190-119.967 1.00 0.00 C ATOM 1316 NE ARG A 83 -1.780-117.666-119.622 1.00 0.00 N ATOM 1317 CZ ARG A 83 -2.203-117.882-118.372 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -1.398-117.665-117.335 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -3.441-118.316-118.160 1.00 0.00 N ATOM 0 H ARG A 83 1.191-114.194-121.915 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.560-115.388-123.665 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.631-114.675-120.730 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.053-115.385-121.468 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.876-117.380-122.061 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.682-116.653-121.719 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.280-117.999-119.831 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.149-116.391-119.284 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.434-117.844-120.384 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.447-117.330-117.489 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.732-117.833-116.386 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.065-118.483-118.949 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.767-118.482-117.208 1.00 0.00 H new ATOM 1333 N SER A 84 -1.528-112.366-122.920 1.00 0.00 N ATOM 1334 CA SER A 84 -2.509-111.328-123.242 1.00 0.00 C ATOM 1335 C SER A 84 -2.196-110.666-124.586 1.00 0.00 C ATOM 1336 O SER A 84 -3.106-110.295-125.328 1.00 0.00 O ATOM 1337 CB SER A 84 -2.550-110.270-122.134 1.00 0.00 C ATOM 1338 OG SER A 84 -1.289-109.639-121.980 1.00 0.00 O ATOM 0 H SER A 84 -0.707-112.028-122.418 1.00 0.00 H new ATOM 0 HA SER A 84 -3.486-111.805-123.317 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.307-109.522-122.369 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.844-110.736-121.193 1.00 0.00 H new ATOM 0 HG SER A 84 -0.591-110.202-122.375 1.00 0.00 H new ATOM 1344 N GLY A 85 -0.903-110.527-124.892 1.00 0.00 N ATOM 1345 CA GLY A 85 -0.489-109.916-126.145 1.00 0.00 C ATOM 1346 C GLY A 85 -0.698-108.410-126.171 1.00 0.00 C ATOM 1347 O GLY A 85 -1.073-107.852-127.203 1.00 0.00 O ATOM 0 H GLY A 85 -0.136-110.828-124.291 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.565-110.134-126.318 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.047-110.369-126.965 1.00 0.00 H new