USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 CYS SG : rot 43:sc= 0.373 USER MOD Set 1.2: A 37 HIS : no HE2:sc= -0.412 X(o=-0.039,f=-0.17) 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 HD1:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.015 USER MOD Single : A 17 HIS : no HE2:sc= -1.43! C(o=-1.4!,f=-4.6!) USER MOD Single : A 19 TYR OH : rot 177:sc= 0.617 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -2.69 K(o=-2.7,f=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00781) USER MOD Single : A 76 MET CE :methyl 174:sc= -0.0984 (180deg=-0.178) USER MOD Single : A 84 SER OG : rot -51:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 0 21.166-149.426-116.326 1.00 0.00 N ATOM 22 CA HIS A 0 20.840-148.028-116.613 1.00 0.00 C ATOM 23 C HIS A 0 19.544-147.926-117.420 1.00 0.00 C ATOM 24 O HIS A 0 19.334-148.685-118.369 1.00 0.00 O ATOM 25 CB HIS A 0 21.990-147.360-117.377 1.00 0.00 C ATOM 26 CG HIS A 0 21.968-145.862-117.312 1.00 0.00 C ATOM 27 ND1 HIS A 0 21.279-145.079-118.215 1.00 0.00 N ATOM 28 CD2 HIS A 0 22.555-145.003-116.445 1.00 0.00 C ATOM 29 CE1 HIS A 0 21.443-143.805-117.907 1.00 0.00 C ATOM 30 NE2 HIS A 0 22.213-143.732-116.837 1.00 0.00 N ATOM 0 H1 HIS A 0 22.049-149.471-115.778 1.00 0.00 H new ATOM 0 H2 HIS A 0 20.395-149.857-115.777 1.00 0.00 H new ATOM 0 H3 HIS A 0 21.286-149.945-117.219 1.00 0.00 H new ATOM 0 HA HIS A 0 20.697-147.510-115.665 1.00 0.00 H new ATOM 0 HB2 HIS A 0 22.938-147.718-116.975 1.00 0.00 H new ATOM 0 HB3 HIS A 0 21.949-147.670-118.421 1.00 0.00 H new ATOM 0 HD2 HIS A 0 23.176-145.268-115.602 1.00 0.00 H new ATOM 0 HE1 HIS A 0 21.020-142.966-118.440 1.00 0.00 H new ATOM 0 HE2 HIS A 0 22.506-142.871-116.376 1.00 0.00 H new ATOM 39 N MET A 1 18.681-146.983-117.036 1.00 0.00 N ATOM 40 CA MET A 1 17.404-146.776-117.720 1.00 0.00 C ATOM 41 C MET A 1 17.439-145.502-118.565 1.00 0.00 C ATOM 42 O MET A 1 17.996-144.485-118.145 1.00 0.00 O ATOM 43 CB MET A 1 16.261-146.700-116.699 1.00 0.00 C ATOM 44 CG MET A 1 14.886-146.972-117.295 1.00 0.00 C ATOM 45 SD MET A 1 13.568-146.922-116.063 1.00 0.00 S ATOM 46 CE MET A 1 13.276-145.158-115.945 1.00 0.00 C ATOM 0 H MET A 1 18.844-146.350-116.253 1.00 0.00 H new ATOM 0 HA MET A 1 17.232-147.624-118.383 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.450-147.419-115.902 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.259-145.710-116.242 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.679-146.236-118.072 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.891-147.950-117.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.485-144.968-115.220 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.190-144.659-115.624 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.975-144.773-116.919 1.00 0.00 H new ATOM 56 N SER A 2 16.840-145.566-119.756 1.00 0.00 N ATOM 57 CA SER A 2 16.800-144.420-120.666 1.00 0.00 C ATOM 58 C SER A 2 15.401-144.242-121.257 1.00 0.00 C ATOM 59 O SER A 2 14.722-145.221-121.571 1.00 0.00 O ATOM 60 CB SER A 2 17.825-144.598-121.790 1.00 0.00 C ATOM 61 OG SER A 2 17.957-143.413-122.556 1.00 0.00 O ATOM 0 H SER A 2 16.375-146.401-120.113 1.00 0.00 H new ATOM 0 HA SER A 2 17.050-143.525-120.096 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.791-144.869-121.365 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.520-145.420-122.437 1.00 0.00 H new ATOM 0 HG SER A 2 18.619-143.554-123.265 1.00 0.00 H new ATOM 67 N ALA A 3 14.978-142.983-121.407 1.00 0.00 N ATOM 68 CA ALA A 3 13.661-142.672-121.961 1.00 0.00 C ATOM 69 C ALA A 3 13.750-142.356-123.454 1.00 0.00 C ATOM 70 O ALA A 3 13.035-142.947-124.265 1.00 0.00 O ATOM 71 CB ALA A 3 13.033-141.506-121.207 1.00 0.00 C ATOM 0 H ALA A 3 15.530-142.164-121.152 1.00 0.00 H new ATOM 0 HA ALA A 3 13.028-143.551-121.842 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.053-141.285-121.630 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.923-141.770-120.155 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.673-140.628-121.296 1.00 0.00 H new ATOM 77 N GLY A 4 14.631-141.418-123.812 1.00 0.00 N ATOM 78 CA GLY A 4 14.797-141.041-125.207 1.00 0.00 C ATOM 79 C GLY A 4 15.744-139.867-125.389 1.00 0.00 C ATOM 80 O GLY A 4 16.645-139.658-124.575 1.00 0.00 O ATOM 0 H GLY A 4 15.231-140.914-123.159 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.174-141.896-125.768 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.824-140.787-125.628 1.00 0.00 H new ATOM 84 N GLU A 5 15.537-139.100-126.462 1.00 0.00 N ATOM 85 CA GLU A 5 16.376-137.937-126.758 1.00 0.00 C ATOM 86 C GLU A 5 15.612-136.634-126.498 1.00 0.00 C ATOM 87 O GLU A 5 14.381-136.616-126.530 1.00 0.00 O ATOM 88 CB GLU A 5 16.853-137.983-128.215 1.00 0.00 C ATOM 89 CG GLU A 5 17.853-139.094-128.500 1.00 0.00 C ATOM 90 CD GLU A 5 18.313-139.113-129.945 1.00 0.00 C ATOM 91 OE1 GLU A 5 17.663-139.795-130.766 1.00 0.00 O ATOM 92 OE2 GLU A 5 19.321-138.445-130.256 1.00 0.00 O ATOM 0 H GLU A 5 14.794-139.264-127.141 1.00 0.00 H new ATOM 0 HA GLU A 5 17.243-137.967-126.099 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.988-138.109-128.867 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.306-137.025-128.469 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.719-138.973-127.849 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.401-140.055-128.254 1.00 0.00 H new ATOM 99 N PRO A 6 16.335-135.521-126.234 1.00 0.00 N ATOM 100 CA PRO A 6 15.713-134.213-125.968 1.00 0.00 C ATOM 101 C PRO A 6 14.825-133.739-127.119 1.00 0.00 C ATOM 102 O PRO A 6 15.092-134.040-128.284 1.00 0.00 O ATOM 103 CB PRO A 6 16.909-133.265-125.792 1.00 0.00 C ATOM 104 CG PRO A 6 18.055-134.154-125.449 1.00 0.00 C ATOM 105 CD PRO A 6 17.808-135.448-126.170 1.00 0.00 C ATOM 0 HA PRO A 6 15.055-134.254-125.100 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.105-132.702-126.705 1.00 0.00 H new ATOM 0 HB3 PRO A 6 16.723-132.537-125.002 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.000-133.709-125.760 1.00 0.00 H new ATOM 0 HG3 PRO A 6 18.116-134.313-124.372 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.255-135.447-127.164 1.00 0.00 H new ATOM 0 HD3 PRO A 6 18.230-136.296-125.631 1.00 0.00 H new ATOM 113 N HIS A 7 13.769-132.994-126.784 1.00 0.00 N ATOM 114 CA HIS A 7 12.838-132.475-127.788 1.00 0.00 C ATOM 115 C HIS A 7 13.229-131.059-128.211 1.00 0.00 C ATOM 116 O HIS A 7 13.274-130.146-127.384 1.00 0.00 O ATOM 117 CB HIS A 7 11.403-132.482-127.241 1.00 0.00 C ATOM 118 CG HIS A 7 10.820-133.846-127.086 1.00 0.00 C ATOM 119 ND1 HIS A 7 9.546-134.081-126.609 1.00 0.00 N ATOM 120 CD2 HIS A 7 11.348-135.050-127.352 1.00 0.00 C ATOM 121 CE1 HIS A 7 9.323-135.383-126.588 1.00 0.00 C ATOM 122 NE2 HIS A 7 10.403-135.995-127.035 1.00 0.00 N ATOM 0 H HIS A 7 13.537-132.737-125.825 1.00 0.00 H new ATOM 0 HA HIS A 7 12.887-133.124-128.663 1.00 0.00 H new ATOM 0 HB2 HIS A 7 11.392-131.981-126.273 1.00 0.00 H new ATOM 0 HB3 HIS A 7 10.768-131.900-127.909 1.00 0.00 H new ATOM 0 HD2 HIS A 7 12.336-135.241-127.744 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.413-135.864-126.261 1.00 0.00 H new ATOM 0 HE2 HIS A 7 10.517-137.004-127.130 1.00 0.00 H new ATOM 172 N CYS A 11 10.950-124.922-129.634 1.00 0.00 N ATOM 173 CA CYS A 11 11.457-124.375-128.372 1.00 0.00 C ATOM 174 C CYS A 11 10.328-123.808-127.520 1.00 0.00 C ATOM 175 O CYS A 11 10.257-124.077-126.322 1.00 0.00 O ATOM 176 CB CYS A 11 12.504-123.287-128.641 1.00 0.00 C ATOM 177 SG CYS A 11 13.822-123.192-127.385 1.00 0.00 S ATOM 0 HA CYS A 11 11.923-125.192-127.822 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.958-123.468-129.615 1.00 0.00 H new ATOM 0 HB3 CYS A 11 12.002-122.321-128.698 1.00 0.00 H new ATOM 0 HG CYS A 11 14.215-124.392-127.077 1.00 0.00 H new ATOM 182 N SER A 12 9.445-123.027-128.143 1.00 0.00 N ATOM 183 CA SER A 12 8.315-122.428-127.440 1.00 0.00 C ATOM 184 C SER A 12 7.600-123.466-126.574 1.00 0.00 C ATOM 185 O SER A 12 7.336-123.228-125.399 1.00 0.00 O ATOM 186 CB SER A 12 7.338-121.810-128.444 1.00 0.00 C ATOM 187 OG SER A 12 6.921-122.762-129.408 1.00 0.00 O ATOM 0 H SER A 12 9.493-122.795-129.135 1.00 0.00 H new ATOM 0 HA SER A 12 8.694-121.643-126.786 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.468-121.419-127.916 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.813-120.966-128.945 1.00 0.00 H new ATOM 0 HG SER A 12 6.297-122.341-130.035 1.00 0.00 H new ATOM 193 N GLU A 13 7.267-124.606-127.178 1.00 0.00 N ATOM 194 CA GLU A 13 6.560-125.681-126.484 1.00 0.00 C ATOM 195 C GLU A 13 7.172-125.977-125.117 1.00 0.00 C ATOM 196 O GLU A 13 6.448-126.129-124.137 1.00 0.00 O ATOM 197 CB GLU A 13 6.539-126.955-127.343 1.00 0.00 C ATOM 198 CG GLU A 13 5.230-127.731-127.265 1.00 0.00 C ATOM 199 CD GLU A 13 4.159-127.169-128.183 1.00 0.00 C ATOM 200 OE1 GLU A 13 4.087-127.608-129.350 1.00 0.00 O ATOM 201 OE2 GLU A 13 3.394-126.290-127.733 1.00 0.00 O ATOM 0 H GLU A 13 7.478-124.810-128.155 1.00 0.00 H new ATOM 0 HA GLU A 13 5.537-125.343-126.321 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.728-126.684-128.382 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.355-127.606-127.030 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.415-128.773-127.525 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.866-127.718-126.238 1.00 0.00 H new ATOM 208 N ILE A 14 8.500-126.042-125.048 1.00 0.00 N ATOM 209 CA ILE A 14 9.174-126.309-123.771 1.00 0.00 C ATOM 210 C ILE A 14 9.027-125.104-122.833 1.00 0.00 C ATOM 211 O ILE A 14 8.821-125.264-121.631 1.00 0.00 O ATOM 212 CB ILE A 14 10.674-126.692-123.957 1.00 0.00 C ATOM 213 CG1 ILE A 14 11.089-127.745-122.917 1.00 0.00 C ATOM 214 CG2 ILE A 14 11.589-125.471-123.871 1.00 0.00 C ATOM 215 CD1 ILE A 14 10.860-129.173-123.367 1.00 0.00 C ATOM 0 H ILE A 14 9.125-125.916-125.844 1.00 0.00 H new ATOM 0 HA ILE A 14 8.687-127.173-123.319 1.00 0.00 H new ATOM 0 HB ILE A 14 10.783-127.114-124.956 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.145-127.613-122.682 1.00 0.00 H new ATOM 0 HG13 ILE A 14 10.533-127.571-121.996 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.625-125.782-124.006 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.320-124.759-124.651 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.476-125.000-122.895 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.177-129.858-122.580 1.00 0.00 H new ATOM 0 HD12 ILE A 14 9.801-129.324-123.574 1.00 0.00 H new ATOM 0 HD13 ILE A 14 11.438-129.367-124.271 1.00 0.00 H new ATOM 227 N LEU A 15 9.092-123.902-123.408 1.00 0.00 N ATOM 228 CA LEU A 15 8.911-122.658-122.651 1.00 0.00 C ATOM 229 C LEU A 15 7.533-122.665-122.036 1.00 0.00 C ATOM 230 O LEU A 15 7.343-122.478-120.832 1.00 0.00 O ATOM 231 CB LEU A 15 8.985-121.466-123.596 1.00 0.00 C ATOM 232 CG LEU A 15 10.306-121.300-124.335 1.00 0.00 C ATOM 233 CD1 LEU A 15 10.285-120.059-125.219 1.00 0.00 C ATOM 234 CD2 LEU A 15 11.476-121.238-123.361 1.00 0.00 C ATOM 0 H LEU A 15 9.270-123.761-124.402 1.00 0.00 H new ATOM 0 HA LEU A 15 9.686-122.585-121.888 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.186-121.557-124.331 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.791-120.558-123.025 1.00 0.00 H new ATOM 0 HG LEU A 15 10.439-122.174-124.973 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.240-119.964-125.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.483-120.148-125.952 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.116-119.176-124.603 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.406-121.119-123.917 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.345-120.391-122.688 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.515-122.160-122.780 1.00 0.00 H new ATOM 246 N ASP A 16 6.593-122.944-122.917 1.00 0.00 N ATOM 247 CA ASP A 16 5.179-123.063-122.554 1.00 0.00 C ATOM 248 C ASP A 16 5.020-124.154-121.488 1.00 0.00 C ATOM 249 O ASP A 16 4.198-124.033-120.579 1.00 0.00 O ATOM 250 CB ASP A 16 4.326-123.392-123.785 1.00 0.00 C ATOM 251 CG ASP A 16 4.102-122.187-124.681 1.00 0.00 C ATOM 252 OD1 ASP A 16 4.760-122.104-125.739 1.00 0.00 O ATOM 253 OD2 ASP A 16 3.270-121.327-124.323 1.00 0.00 O ATOM 0 H ASP A 16 6.780-123.096-123.908 1.00 0.00 H new ATOM 0 HA ASP A 16 4.834-122.110-122.153 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.812-124.181-124.359 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.362-123.782-123.460 1.00 0.00 H new ATOM 258 N HIS A 17 5.848-125.203-121.597 1.00 0.00 N ATOM 259 CA HIS A 17 5.850-126.308-120.637 1.00 0.00 C ATOM 260 C HIS A 17 6.374-125.817-119.291 1.00 0.00 C ATOM 261 O HIS A 17 5.784-126.080-118.243 1.00 0.00 O ATOM 262 CB HIS A 17 6.748-127.447-121.131 1.00 0.00 C ATOM 263 CG HIS A 17 6.098-128.394-122.090 1.00 0.00 C ATOM 264 ND1 HIS A 17 5.252-127.990-123.096 1.00 0.00 N ATOM 265 CD2 HIS A 17 6.191-129.737-122.194 1.00 0.00 C ATOM 266 CE1 HIS A 17 4.841-129.046-123.775 1.00 0.00 C ATOM 267 NE2 HIS A 17 5.398-130.121-123.248 1.00 0.00 N ATOM 0 H HIS A 17 6.529-125.306-122.349 1.00 0.00 H new ATOM 0 HA HIS A 17 4.829-126.675-120.531 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.627-127.015-121.610 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.100-128.012-120.268 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.984-127.025-123.288 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.780-130.389-121.565 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.165-129.032-124.617 1.00 0.00 H new ATOM 276 N LEU A 18 7.497-125.093-119.347 1.00 0.00 N ATOM 277 CA LEU A 18 8.139-124.537-118.161 1.00 0.00 C ATOM 278 C LEU A 18 7.169-123.665-117.372 1.00 0.00 C ATOM 279 O LEU A 18 7.184-123.665-116.139 1.00 0.00 O ATOM 280 CB LEU A 18 9.369-123.713-118.564 1.00 0.00 C ATOM 281 CG LEU A 18 10.719-124.335-118.205 1.00 0.00 C ATOM 282 CD1 LEU A 18 10.815-124.575-116.704 1.00 0.00 C ATOM 283 CD2 LEU A 18 10.944-125.627-118.981 1.00 0.00 C ATOM 0 H LEU A 18 7.983-124.879-120.218 1.00 0.00 H new ATOM 0 HA LEU A 18 8.452-125.366-117.526 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.338-123.548-119.641 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.301-122.734-118.090 1.00 0.00 H new ATOM 0 HG LEU A 18 11.505-123.635-118.487 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.782-125.018-116.468 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.711-123.627-116.177 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.020-125.252-116.392 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.911-126.051-118.709 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.155-126.339-118.739 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.928-125.417-120.050 1.00 0.00 H new ATOM 295 N TYR A 19 6.321-122.925-118.089 1.00 0.00 N ATOM 296 CA TYR A 19 5.348-122.060-117.455 1.00 0.00 C ATOM 297 C TYR A 19 4.207-122.873-116.868 1.00 0.00 C ATOM 298 O TYR A 19 3.892-122.745-115.685 1.00 0.00 O ATOM 299 CB TYR A 19 4.809-121.048-118.452 1.00 0.00 C ATOM 300 CG TYR A 19 4.095-119.900-117.787 1.00 0.00 C ATOM 301 CD1 TYR A 19 2.711-119.867-117.705 1.00 0.00 C ATOM 302 CD2 TYR A 19 4.815-118.865-117.206 1.00 0.00 C ATOM 303 CE1 TYR A 19 2.061-118.834-117.067 1.00 0.00 C ATOM 304 CE2 TYR A 19 4.175-117.825-116.570 1.00 0.00 C ATOM 305 CZ TYR A 19 2.796-117.811-116.501 1.00 0.00 C ATOM 306 OH TYR A 19 2.152-116.777-115.861 1.00 0.00 O ATOM 0 H TYR A 19 6.295-122.914-119.109 1.00 0.00 H new ATOM 0 HA TYR A 19 5.845-121.526-116.645 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.633-120.660-119.051 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.125-121.548-119.137 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.133-120.664-118.149 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.894-118.876-117.254 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.983-118.824-117.010 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.749-117.024-116.127 1.00 0.00 H new ATOM 0 HH TYR A 19 2.815-116.166-115.477 1.00 0.00 H new ATOM 316 N GLU A 20 3.601-123.723-117.698 1.00 0.00 N ATOM 317 CA GLU A 20 2.506-124.580-117.250 1.00 0.00 C ATOM 318 C GLU A 20 2.896-125.257-115.939 1.00 0.00 C ATOM 319 O GLU A 20 2.156-125.218-114.955 1.00 0.00 O ATOM 320 CB GLU A 20 2.198-125.633-118.311 1.00 0.00 C ATOM 321 CG GLU A 20 1.001-125.287-119.182 1.00 0.00 C ATOM 322 CD GLU A 20 0.668-126.378-120.181 1.00 0.00 C ATOM 323 OE1 GLU A 20 -0.131-127.275-119.838 1.00 0.00 O ATOM 324 OE2 GLU A 20 1.205-126.335-121.308 1.00 0.00 O ATOM 0 H GLU A 20 3.850-123.835-118.681 1.00 0.00 H new ATOM 0 HA GLU A 20 1.615-123.973-117.092 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.074-125.763-118.947 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.015-126.589-117.820 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.135-125.106-118.546 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.203-124.359-119.717 1.00 0.00 H new ATOM 331 N PHE A 21 4.094-125.840-115.944 1.00 0.00 N ATOM 332 CA PHE A 21 4.664-126.502-114.771 1.00 0.00 C ATOM 333 C PHE A 21 4.571-125.584-113.549 1.00 0.00 C ATOM 334 O PHE A 21 4.127-125.996-112.477 1.00 0.00 O ATOM 335 CB PHE A 21 6.130-126.841-115.068 1.00 0.00 C ATOM 336 CG PHE A 21 6.762-127.812-114.111 1.00 0.00 C ATOM 337 CD1 PHE A 21 7.604-127.356-113.111 1.00 0.00 C ATOM 338 CD2 PHE A 21 6.538-129.177-114.226 1.00 0.00 C ATOM 339 CE1 PHE A 21 8.213-128.238-112.245 1.00 0.00 C ATOM 340 CE2 PHE A 21 7.142-130.066-113.357 1.00 0.00 C ATOM 341 CZ PHE A 21 7.982-129.598-112.367 1.00 0.00 C ATOM 0 H PHE A 21 4.699-125.867-116.765 1.00 0.00 H new ATOM 0 HA PHE A 21 4.109-127.415-114.554 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.196-127.252-116.076 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.710-125.918-115.062 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.786-126.296-113.008 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.885-129.548-115.002 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.870-127.869-111.471 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.957-131.126-113.453 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.458-130.291-111.689 1.00 0.00 H new ATOM 351 N LEU A 22 4.991-124.330-113.742 1.00 0.00 N ATOM 352 CA LEU A 22 4.964-123.315-112.683 1.00 0.00 C ATOM 353 C LEU A 22 3.527-122.991-112.250 1.00 0.00 C ATOM 354 O LEU A 22 3.276-122.710-111.077 1.00 0.00 O ATOM 355 CB LEU A 22 5.655-122.026-113.165 1.00 0.00 C ATOM 356 CG LEU A 22 7.158-121.930-112.869 1.00 0.00 C ATOM 357 CD1 LEU A 22 7.798-120.830-113.708 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.402-121.682-111.384 1.00 0.00 C ATOM 0 H LEU A 22 5.357-123.991-114.631 1.00 0.00 H new ATOM 0 HA LEU A 22 5.499-123.721-111.824 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.508-121.937-114.241 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.157-121.173-112.704 1.00 0.00 H new ATOM 0 HG LEU A 22 7.620-122.881-113.136 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.864-120.776-113.485 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.659-121.052-114.766 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.329-119.874-113.473 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.474-121.617-111.197 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.925-120.748-111.088 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.981-122.504-110.804 1.00 0.00 H new ATOM 370 N ASP A 23 2.595-123.017-113.208 1.00 0.00 N ATOM 371 CA ASP A 23 1.185-122.713-112.937 1.00 0.00 C ATOM 372 C ASP A 23 0.586-123.660-111.891 1.00 0.00 C ATOM 373 O ASP A 23 0.165-123.222-110.820 1.00 0.00 O ATOM 374 CB ASP A 23 0.370-122.766-114.239 1.00 0.00 C ATOM 375 CG ASP A 23 -1.049-122.253-114.067 1.00 0.00 C ATOM 376 OD1 ASP A 23 -1.251-121.023-114.163 1.00 0.00 O ATOM 377 OD2 ASP A 23 -1.956-123.079-113.835 1.00 0.00 O ATOM 0 H ASP A 23 2.792-123.246-114.182 1.00 0.00 H new ATOM 0 HA ASP A 23 1.138-121.704-112.527 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.875-122.175-115.003 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.338-123.794-114.601 1.00 0.00 H new ATOM 382 N LYS A 24 0.550-124.954-112.209 1.00 0.00 N ATOM 383 CA LYS A 24 0.002-125.959-111.296 1.00 0.00 C ATOM 384 C LYS A 24 0.963-126.256-110.143 1.00 0.00 C ATOM 385 O LYS A 24 0.564-126.819-109.122 1.00 0.00 O ATOM 386 CB LYS A 24 -0.282-127.254-112.057 1.00 0.00 C ATOM 387 CG LYS A 24 0.974-127.954-112.575 1.00 0.00 C ATOM 388 CD LYS A 24 1.083-127.854-114.090 1.00 0.00 C ATOM 389 CE LYS A 24 0.419-129.037-114.784 1.00 0.00 C ATOM 390 NZ LYS A 24 0.507-128.935-116.268 1.00 0.00 N ATOM 0 H LYS A 24 0.894-125.332-113.092 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.922-125.557-110.880 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.824-127.937-111.403 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.937-127.033-112.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.856-127.508-112.115 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.956-129.003-112.279 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.619-126.927-114.427 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.134-127.807-114.377 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.892-129.962-114.456 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.628-129.091-114.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.043-129.759-116.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.033-128.065-116.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.506-128.909-116.556 1.00 0.00 H new ATOM 404 N GLU A 25 2.230-125.881-110.326 1.00 0.00 N ATOM 405 CA GLU A 25 3.269-126.106-109.328 1.00 0.00 C ATOM 406 C GLU A 25 3.295-127.566-108.863 1.00 0.00 C ATOM 407 O GLU A 25 2.839-127.891-107.763 1.00 0.00 O ATOM 408 CB GLU A 25 3.087-125.155-108.138 1.00 0.00 C ATOM 409 CG GLU A 25 4.336-124.993-107.282 1.00 0.00 C ATOM 410 CD GLU A 25 4.136-124.022-106.133 1.00 0.00 C ATOM 411 OE1 GLU A 25 4.396-122.816-106.324 1.00 0.00 O ATOM 412 OE2 GLU A 25 3.719-124.469-105.044 1.00 0.00 O ATOM 0 H GLU A 25 2.561-125.414-111.170 1.00 0.00 H new ATOM 0 HA GLU A 25 4.231-125.895-109.794 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.784-124.176-108.510 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.274-125.523-107.512 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.628-125.965-106.884 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.158-124.645-107.908 1.00 0.00 H new ATOM 419 N MET A 26 3.840-128.437-109.713 1.00 0.00 N ATOM 420 CA MET A 26 3.944-129.864-109.410 1.00 0.00 C ATOM 421 C MET A 26 5.347-130.201-108.895 1.00 0.00 C ATOM 422 O MET A 26 6.252-129.367-108.974 1.00 0.00 O ATOM 423 CB MET A 26 3.621-130.691-110.665 1.00 0.00 C ATOM 424 CG MET A 26 2.219-131.285-110.668 1.00 0.00 C ATOM 425 SD MET A 26 1.864-132.233-112.162 1.00 0.00 S ATOM 426 CE MET A 26 0.185-132.765-111.836 1.00 0.00 C ATOM 0 H MET A 26 4.219-128.176-110.623 1.00 0.00 H new ATOM 0 HA MET A 26 3.224-130.111-108.630 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.739-130.059-111.545 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.348-131.499-110.753 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.101-131.930-109.797 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.489-130.482-110.571 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.176-133.364-112.672 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.163-133.363-110.925 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.456-131.892-111.712 1.00 0.00 H new ATOM 436 N PRO A 27 5.552-131.427-108.359 1.00 0.00 N ATOM 437 CA PRO A 27 6.859-131.857-107.833 1.00 0.00 C ATOM 438 C PRO A 27 8.009-131.592-108.810 1.00 0.00 C ATOM 439 O PRO A 27 7.780-131.324-109.988 1.00 0.00 O ATOM 440 CB PRO A 27 6.674-133.361-107.615 1.00 0.00 C ATOM 441 CG PRO A 27 5.214-133.528-107.373 1.00 0.00 C ATOM 442 CD PRO A 27 4.530-132.487-108.217 1.00 0.00 C ATOM 0 HA PRO A 27 7.132-131.309-106.931 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.999-133.931-108.485 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.260-133.714-106.766 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.885-134.530-107.648 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.976-133.393-106.318 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.232-132.889-109.185 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.627-132.111-107.736 1.00 0.00 H new ATOM 450 N ASP A 28 9.243-131.673-108.309 1.00 0.00 N ATOM 451 CA ASP A 28 10.442-131.442-109.126 1.00 0.00 C ATOM 452 C ASP A 28 10.846-132.694-109.913 1.00 0.00 C ATOM 453 O ASP A 28 12.001-132.838-110.320 1.00 0.00 O ATOM 454 CB ASP A 28 11.598-131.003-108.231 1.00 0.00 C ATOM 455 CG ASP A 28 12.596-130.118-108.954 1.00 0.00 C ATOM 456 OD1 ASP A 28 12.348-128.898-109.049 1.00 0.00 O ATOM 457 OD2 ASP A 28 13.626-130.645-109.426 1.00 0.00 O ATOM 0 H ASP A 28 9.442-131.898-107.334 1.00 0.00 H new ATOM 0 HA ASP A 28 10.208-130.657-109.845 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.201-130.467-107.369 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.111-131.885-107.849 1.00 0.00 H new ATOM 462 N SER A 29 9.890-133.587-110.122 1.00 0.00 N ATOM 463 CA SER A 29 10.123-134.829-110.857 1.00 0.00 C ATOM 464 C SER A 29 10.114-134.587-112.360 1.00 0.00 C ATOM 465 O SER A 29 11.127-134.791-113.030 1.00 0.00 O ATOM 466 CB SER A 29 9.027-135.824-110.500 1.00 0.00 C ATOM 467 OG SER A 29 9.144-136.262-109.157 1.00 0.00 O ATOM 0 H SER A 29 8.932-133.475-109.789 1.00 0.00 H new ATOM 0 HA SER A 29 11.102-135.222-110.581 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.051-135.362-110.650 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.080-136.682-111.170 1.00 0.00 H new ATOM 0 HG SER A 29 8.426-136.898-108.957 1.00 0.00 H new ATOM 473 N ASP A 30 8.973-134.130-112.886 1.00 0.00 N ATOM 474 CA ASP A 30 8.866-133.839-114.312 1.00 0.00 C ATOM 475 C ASP A 30 9.908-132.789-114.665 1.00 0.00 C ATOM 476 O ASP A 30 10.627-132.922-115.655 1.00 0.00 O ATOM 477 CB ASP A 30 7.455-133.351-114.673 1.00 0.00 C ATOM 478 CG ASP A 30 6.695-134.348-115.529 1.00 0.00 C ATOM 479 OD1 ASP A 30 5.998-135.212-114.956 1.00 0.00 O ATOM 480 OD2 ASP A 30 6.797-134.264-116.771 1.00 0.00 O ATOM 0 H ASP A 30 8.122-133.957-112.350 1.00 0.00 H new ATOM 0 HA ASP A 30 9.046-134.748-114.885 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.894-133.162-113.758 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.527-132.402-115.204 1.00 0.00 H new ATOM 485 N ALA A 31 9.974-131.746-113.827 1.00 0.00 N ATOM 486 CA ALA A 31 10.921-130.648-114.002 1.00 0.00 C ATOM 487 C ALA A 31 12.241-131.127-114.607 1.00 0.00 C ATOM 488 O ALA A 31 12.769-130.497-115.522 1.00 0.00 O ATOM 489 CB ALA A 31 11.179-129.951-112.668 1.00 0.00 C ATOM 0 H ALA A 31 9.371-131.644-113.011 1.00 0.00 H new ATOM 0 HA ALA A 31 10.474-129.939-114.698 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.887-129.135-112.815 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.242-129.553-112.278 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.593-130.667-111.958 1.00 0.00 H new ATOM 495 N VAL A 32 12.788-132.225-114.066 1.00 0.00 N ATOM 496 CA VAL A 32 14.066-132.793-114.511 1.00 0.00 C ATOM 497 C VAL A 32 14.224-132.938-116.035 1.00 0.00 C ATOM 498 O VAL A 32 15.351-133.087-116.512 1.00 0.00 O ATOM 499 CB VAL A 32 14.294-134.169-113.830 1.00 0.00 C ATOM 500 CG1 VAL A 32 13.672-135.306-114.639 1.00 0.00 C ATOM 501 CG2 VAL A 32 15.779-134.419-113.596 1.00 0.00 C ATOM 0 H VAL A 32 12.353-132.745-113.304 1.00 0.00 H new ATOM 0 HA VAL A 32 14.823-132.069-114.208 1.00 0.00 H new ATOM 0 HB VAL A 32 13.794-134.143-112.862 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.852-136.254-114.132 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.598-135.142-114.732 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.122-135.335-115.632 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.914-135.389-113.118 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.305-134.409-114.551 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.182-133.638-112.952 1.00 0.00 H new ATOM 511 N LYS A 33 13.134-132.872-116.809 1.00 0.00 N ATOM 512 CA LYS A 33 13.233-132.976-118.265 1.00 0.00 C ATOM 513 C LYS A 33 13.418-131.586-118.887 1.00 0.00 C ATOM 514 O LYS A 33 13.313-131.413-120.103 1.00 0.00 O ATOM 515 CB LYS A 33 11.984-133.659-118.841 1.00 0.00 C ATOM 516 CG LYS A 33 12.227-134.369-120.166 1.00 0.00 C ATOM 517 CD LYS A 33 10.968-135.054-120.679 1.00 0.00 C ATOM 518 CE LYS A 33 11.212-135.761-122.005 1.00 0.00 C ATOM 519 NZ LYS A 33 9.982-136.426-122.519 1.00 0.00 N ATOM 0 H LYS A 33 12.186-132.749-116.455 1.00 0.00 H new ATOM 0 HA LYS A 33 14.103-133.585-118.511 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.609-134.381-118.116 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.203-132.911-118.978 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.576-133.649-120.906 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.019-135.108-120.043 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.620-135.776-119.940 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.176-134.315-120.801 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.568-135.039-122.740 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.000-136.504-121.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.193-136.895-123.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.656-137.133-121.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.237-135.715-122.663 1.00 0.00 H new ATOM 533 N PHE A 34 13.715-130.607-118.029 1.00 0.00 N ATOM 534 CA PHE A 34 13.944-129.237-118.451 1.00 0.00 C ATOM 535 C PHE A 34 15.444-128.973-118.587 1.00 0.00 C ATOM 536 O PHE A 34 15.867-128.180-119.429 1.00 0.00 O ATOM 537 CB PHE A 34 13.315-128.267-117.446 1.00 0.00 C ATOM 538 CG PHE A 34 11.806-128.344-117.354 1.00 0.00 C ATOM 539 CD1 PHE A 34 11.149-127.837-116.243 1.00 0.00 C ATOM 540 CD2 PHE A 34 11.045-128.915-118.371 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.772-127.895-116.146 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.667-128.974-118.276 1.00 0.00 C ATOM 543 CZ PHE A 34 9.031-128.463-117.161 1.00 0.00 C ATOM 0 H PHE A 34 13.802-130.749-117.023 1.00 0.00 H new ATOM 0 HA PHE A 34 13.476-129.081-119.423 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.736-128.463-116.460 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.598-127.250-117.717 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.721-127.391-115.443 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.537-129.317-119.244 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.275-127.495-115.274 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.089-129.419-119.072 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.955-128.508-117.084 1.00 0.00 H new ATOM 553 N GLU A 35 16.245-129.655-117.756 1.00 0.00 N ATOM 554 CA GLU A 35 17.702-129.505-117.791 1.00 0.00 C ATOM 555 C GLU A 35 18.290-130.088-119.082 1.00 0.00 C ATOM 556 O GLU A 35 19.378-129.692-119.506 1.00 0.00 O ATOM 557 CB GLU A 35 18.341-130.192-116.576 1.00 0.00 C ATOM 558 CG GLU A 35 17.940-129.578-115.243 1.00 0.00 C ATOM 559 CD GLU A 35 18.568-130.288-114.059 1.00 0.00 C ATOM 560 OE1 GLU A 35 19.679-129.892-113.649 1.00 0.00 O ATOM 561 OE2 GLU A 35 17.947-131.241-113.540 1.00 0.00 O ATOM 0 H GLU A 35 15.907-130.314-117.054 1.00 0.00 H new ATOM 0 HA GLU A 35 17.925-128.439-117.761 1.00 0.00 H new ATOM 0 HB2 GLU A 35 18.063-131.246-116.578 1.00 0.00 H new ATOM 0 HB3 GLU A 35 19.426-130.148-116.674 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.232-128.528-115.229 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.855-129.608-115.146 1.00 0.00 H new ATOM 568 N HIS A 36 17.569-131.032-119.700 1.00 0.00 N ATOM 569 CA HIS A 36 18.025-131.667-120.939 1.00 0.00 C ATOM 570 C HIS A 36 18.016-130.690-122.121 1.00 0.00 C ATOM 571 O HIS A 36 18.761-130.873-123.085 1.00 0.00 O ATOM 572 CB HIS A 36 17.152-132.886-121.265 1.00 0.00 C ATOM 573 CG HIS A 36 17.492-134.103-120.458 1.00 0.00 C ATOM 574 ND1 HIS A 36 18.410-135.048-120.867 1.00 0.00 N ATOM 575 CD2 HIS A 36 17.029-134.528-119.257 1.00 0.00 C ATOM 576 CE1 HIS A 36 18.497-135.999-119.955 1.00 0.00 C ATOM 577 NE2 HIS A 36 17.669-135.707-118.969 1.00 0.00 N ATOM 0 H HIS A 36 16.669-131.371-119.361 1.00 0.00 H new ATOM 0 HA HIS A 36 19.054-131.988-120.779 1.00 0.00 H new ATOM 0 HB2 HIS A 36 16.106-132.629-121.096 1.00 0.00 H new ATOM 0 HB3 HIS A 36 17.255-133.123-122.324 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.294-134.031-118.642 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.137-136.868-120.007 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.528-136.268-118.129 1.00 0.00 H new ATOM 586 N HIS A 37 17.169-129.656-122.048 1.00 0.00 N ATOM 587 CA HIS A 37 17.072-128.663-123.123 1.00 0.00 C ATOM 588 C HIS A 37 18.160-127.583-123.014 1.00 0.00 C ATOM 589 O HIS A 37 18.238-126.698-123.865 1.00 0.00 O ATOM 590 CB HIS A 37 15.682-128.008-123.143 1.00 0.00 C ATOM 591 CG HIS A 37 15.305-127.447-124.485 1.00 0.00 C ATOM 592 ND1 HIS A 37 14.431-128.075-125.348 1.00 0.00 N ATOM 593 CD2 HIS A 37 15.718-126.326-125.124 1.00 0.00 C ATOM 594 CE1 HIS A 37 14.328-127.365-126.459 1.00 0.00 C ATOM 595 NE2 HIS A 37 15.099-126.299-126.349 1.00 0.00 N ATOM 0 H HIS A 37 16.544-129.486-121.260 1.00 0.00 H new ATOM 0 HA HIS A 37 17.227-129.198-124.060 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.937-128.745-122.844 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.655-127.208-122.403 1.00 0.00 H new ATOM 0 HD1 HIS A 37 13.941-128.949-125.159 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.408-125.589-124.740 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.716-127.615-127.313 1.00 0.00 H new ATOM 603 N PHE A 38 19.011-127.662-121.986 1.00 0.00 N ATOM 604 CA PHE A 38 20.092-126.709-121.794 1.00 0.00 C ATOM 605 C PHE A 38 21.370-127.215-122.473 1.00 0.00 C ATOM 606 O PHE A 38 22.387-126.522-122.525 1.00 0.00 O ATOM 607 CB PHE A 38 20.326-126.569-120.299 1.00 0.00 C ATOM 608 CG PHE A 38 20.095-125.181-119.760 1.00 0.00 C ATOM 609 CD1 PHE A 38 18.894-124.861-119.146 1.00 0.00 C ATOM 610 CD2 PHE A 38 21.069-124.200-119.860 1.00 0.00 C ATOM 611 CE1 PHE A 38 18.670-123.601-118.646 1.00 0.00 C ATOM 612 CE2 PHE A 38 20.846-122.933-119.360 1.00 0.00 C ATOM 613 CZ PHE A 38 19.645-122.636-118.754 1.00 0.00 C ATOM 0 H PHE A 38 18.965-128.387-121.270 1.00 0.00 H new ATOM 0 HA PHE A 38 19.829-125.747-122.234 1.00 0.00 H new ATOM 0 HB2 PHE A 38 19.670-127.263-119.774 1.00 0.00 H new ATOM 0 HB3 PHE A 38 21.350-126.867-120.074 1.00 0.00 H new ATOM 0 HD1 PHE A 38 18.123-125.613-119.059 1.00 0.00 H new ATOM 0 HD2 PHE A 38 22.012-124.429-120.334 1.00 0.00 H new ATOM 0 HE1 PHE A 38 17.730-123.368-118.169 1.00 0.00 H new ATOM 0 HE2 PHE A 38 21.612-122.176-119.444 1.00 0.00 H new ATOM 0 HZ PHE A 38 19.469-121.645-118.363 1.00 0.00 H new ATOM 623 N GLU A 39 21.279-128.435-122.998 1.00 0.00 N ATOM 624 CA GLU A 39 22.384-129.082-123.693 1.00 0.00 C ATOM 625 C GLU A 39 22.473-128.595-125.139 1.00 0.00 C ATOM 626 O GLU A 39 23.419-127.898-125.513 1.00 0.00 O ATOM 627 CB GLU A 39 22.215-130.599-123.650 1.00 0.00 C ATOM 628 CG GLU A 39 22.610-131.221-122.319 1.00 0.00 C ATOM 629 CD GLU A 39 22.410-132.725-122.293 1.00 0.00 C ATOM 630 OE1 GLU A 39 23.358-133.457-122.648 1.00 0.00 O ATOM 631 OE2 GLU A 39 21.306-133.170-121.918 1.00 0.00 O ATOM 0 H GLU A 39 20.433-129.003-122.952 1.00 0.00 H new ATOM 0 HA GLU A 39 23.313-128.818-123.188 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.175-130.846-123.862 1.00 0.00 H new ATOM 0 HB3 GLU A 39 22.816-131.045-124.442 1.00 0.00 H new ATOM 0 HG2 GLU A 39 23.656-130.994-122.113 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.022-130.767-121.522 1.00 0.00 H new ATOM 801 N GLU A 51 15.370-115.856-120.266 1.00 0.00 N ATOM 802 CA GLU A 51 16.039-116.546-119.158 1.00 0.00 C ATOM 803 C GLU A 51 15.066-116.914-118.032 1.00 0.00 C ATOM 804 O GLU A 51 15.348-117.804-117.234 1.00 0.00 O ATOM 805 CB GLU A 51 17.168-115.668-118.601 1.00 0.00 C ATOM 806 CG GLU A 51 18.559-116.097-119.050 1.00 0.00 C ATOM 807 CD GLU A 51 19.602-115.013-118.842 1.00 0.00 C ATOM 808 OE1 GLU A 51 19.955-114.745-117.675 1.00 0.00 O ATOM 809 OE2 GLU A 51 20.064-114.434-119.847 1.00 0.00 O ATOM 0 HA GLU A 51 16.450-117.475-119.554 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.999-114.636-118.909 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.126-115.686-117.512 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.855-116.990-118.500 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.528-116.368-120.105 1.00 0.00 H new ATOM 816 N GLN A 52 13.935-116.215-117.966 1.00 0.00 N ATOM 817 CA GLN A 52 12.925-116.453-116.928 1.00 0.00 C ATOM 818 C GLN A 52 12.557-117.936-116.771 1.00 0.00 C ATOM 819 O GLN A 52 12.808-118.539-115.726 1.00 0.00 O ATOM 820 CB GLN A 52 11.665-115.648-117.215 1.00 0.00 C ATOM 821 CG GLN A 52 10.693-115.617-116.046 1.00 0.00 C ATOM 822 CD GLN A 52 10.885-114.405-115.155 1.00 0.00 C ATOM 823 OE1 GLN A 52 11.987-114.147-114.668 1.00 0.00 O ATOM 824 NE2 GLN A 52 9.813-113.654-114.932 1.00 0.00 N ATOM 0 H GLN A 52 13.691-115.473-118.622 1.00 0.00 H new ATOM 0 HA GLN A 52 13.373-116.128-115.989 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.945-114.627-117.473 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.163-116.070-118.085 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.672-115.624-116.428 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.817-116.522-115.452 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.919-113.903-115.355 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.884-112.828-114.338 1.00 0.00 H new ATOM 833 N ALA A 53 11.922-118.496-117.798 1.00 0.00 N ATOM 834 CA ALA A 53 11.461-119.889-117.778 1.00 0.00 C ATOM 835 C ALA A 53 12.587-120.926-117.666 1.00 0.00 C ATOM 836 O ALA A 53 12.382-121.989-117.082 1.00 0.00 O ATOM 837 CB ALA A 53 10.626-120.171-119.020 1.00 0.00 C ATOM 0 H ALA A 53 11.711-118.003-118.666 1.00 0.00 H new ATOM 0 HA ALA A 53 10.863-119.995-116.873 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.285-121.206-119.002 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.763-119.505-119.037 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.231-120.004-119.911 1.00 0.00 H new ATOM 843 N VAL A 54 13.755-120.646-118.248 1.00 0.00 N ATOM 844 CA VAL A 54 14.861-121.611-118.218 1.00 0.00 C ATOM 845 C VAL A 54 15.767-121.473-116.990 1.00 0.00 C ATOM 846 O VAL A 54 16.327-122.466-116.532 1.00 0.00 O ATOM 847 CB VAL A 54 15.717-121.550-119.509 1.00 0.00 C ATOM 848 CG1 VAL A 54 15.111-122.441-120.587 1.00 0.00 C ATOM 849 CG2 VAL A 54 15.875-120.121-120.013 1.00 0.00 C ATOM 0 H VAL A 54 13.960-119.775-118.738 1.00 0.00 H new ATOM 0 HA VAL A 54 14.378-122.586-118.154 1.00 0.00 H new ATOM 0 HB VAL A 54 16.713-121.920-119.267 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.722-122.389-121.488 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.077-123.471-120.231 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.100-122.102-120.814 1.00 0.00 H new ATOM 0 HG21 VAL A 54 16.481-120.120-120.919 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.893-119.702-120.233 1.00 0.00 H new ATOM 0 HG23 VAL A 54 16.364-119.518-119.248 1.00 0.00 H new ATOM 859 N LYS A 55 15.911-120.266-116.446 1.00 0.00 N ATOM 860 CA LYS A 55 16.756-120.075-115.261 1.00 0.00 C ATOM 861 C LYS A 55 16.143-120.788-114.051 1.00 0.00 C ATOM 862 O LYS A 55 16.854-121.393-113.246 1.00 0.00 O ATOM 863 CB LYS A 55 16.946-118.584-114.948 1.00 0.00 C ATOM 864 CG LYS A 55 18.035-117.914-115.778 1.00 0.00 C ATOM 865 CD LYS A 55 19.427-118.238-115.247 1.00 0.00 C ATOM 866 CE LYS A 55 20.508-117.489-116.014 1.00 0.00 C ATOM 867 NZ LYS A 55 21.876-117.843-115.543 1.00 0.00 N ATOM 0 H LYS A 55 15.465-119.418-116.796 1.00 0.00 H new ATOM 0 HA LYS A 55 17.734-120.506-115.475 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.003-118.064-115.116 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.188-118.472-113.891 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.956-118.241-116.815 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.885-116.834-115.772 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.483-117.978-114.190 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.605-119.311-115.321 1.00 0.00 H new ATOM 0 HE2 LYS A 55 20.421-117.715-117.077 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.353-116.416-115.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.581-117.311-116.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.969-117.603-114.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 22.035-118.863-115.672 1.00 0.00 H new ATOM 881 N LYS A 56 14.814-120.708-113.943 1.00 0.00 N ATOM 882 CA LYS A 56 14.062-121.332-112.854 1.00 0.00 C ATOM 883 C LYS A 56 14.369-122.826-112.712 1.00 0.00 C ATOM 884 O LYS A 56 14.627-123.316-111.613 1.00 0.00 O ATOM 885 CB LYS A 56 12.566-121.158-113.112 1.00 0.00 C ATOM 886 CG LYS A 56 11.945-119.933-112.449 1.00 0.00 C ATOM 887 CD LYS A 56 12.434-119.732-111.022 1.00 0.00 C ATOM 888 CE LYS A 56 11.520-118.802-110.235 1.00 0.00 C ATOM 889 NZ LYS A 56 11.997-118.602-108.838 1.00 0.00 N ATOM 0 H LYS A 56 14.229-120.207-114.611 1.00 0.00 H new ATOM 0 HA LYS A 56 14.361-120.841-111.928 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.401-121.095-114.188 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.044-122.048-112.761 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.180-119.047-113.038 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.860-120.036-112.447 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.491-120.697-110.518 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.443-119.321-111.038 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.462-117.838-110.740 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.511-119.214-110.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.347-117.963-108.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.028-119.518-108.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.950-118.185-108.853 1.00 0.00 H new ATOM 903 N LEU A 57 14.326-123.533-113.837 1.00 0.00 N ATOM 904 CA LEU A 57 14.588-124.973-113.866 1.00 0.00 C ATOM 905 C LEU A 57 15.972-125.299-113.302 1.00 0.00 C ATOM 906 O LEU A 57 16.133-126.254-112.541 1.00 0.00 O ATOM 907 CB LEU A 57 14.429-125.506-115.294 1.00 0.00 C ATOM 908 CG LEU A 57 15.654-125.364-116.200 1.00 0.00 C ATOM 909 CD1 LEU A 57 16.543-126.597-116.110 1.00 0.00 C ATOM 910 CD2 LEU A 57 15.239-125.104-117.644 1.00 0.00 C ATOM 0 H LEU A 57 14.111-123.130-114.749 1.00 0.00 H new ATOM 0 HA LEU A 57 13.857-125.470-113.228 1.00 0.00 H new ATOM 0 HB2 LEU A 57 14.162-126.561-115.240 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.592-124.989-115.763 1.00 0.00 H new ATOM 0 HG LEU A 57 16.228-124.505-115.853 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.407-126.471-116.763 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.881-126.727-115.082 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.978-127.476-116.420 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.129-125.007-118.266 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.633-125.936-118.004 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.658-124.183-117.695 1.00 0.00 H new ATOM 922 N VAL A 58 16.963-124.493-113.679 1.00 0.00 N ATOM 923 CA VAL A 58 18.338-124.684-113.212 1.00 0.00 C ATOM 924 C VAL A 58 18.463-124.370-111.720 1.00 0.00 C ATOM 925 O VAL A 58 19.151-125.082-110.985 1.00 0.00 O ATOM 926 CB VAL A 58 19.339-123.817-114.004 1.00 0.00 C ATOM 927 CG1 VAL A 58 20.765-124.020-113.498 1.00 0.00 C ATOM 928 CG2 VAL A 58 19.251-124.114-115.495 1.00 0.00 C ATOM 0 H VAL A 58 16.840-123.699-114.308 1.00 0.00 H new ATOM 0 HA VAL A 58 18.582-125.733-113.379 1.00 0.00 H new ATOM 0 HB VAL A 58 19.072-122.772-113.846 1.00 0.00 H new ATOM 0 HG11 VAL A 58 21.448-123.396-114.075 1.00 0.00 H new ATOM 0 HG12 VAL A 58 20.821-123.742-112.446 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.046-125.067-113.612 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.966-123.491-116.033 1.00 0.00 H new ATOM 0 HG22 VAL A 58 19.481-125.165-115.671 1.00 0.00 H new ATOM 0 HG23 VAL A 58 18.243-123.899-115.850 1.00 0.00 H new ATOM 938 N LYS A 59 17.790-123.305-111.281 1.00 0.00 N ATOM 939 CA LYS A 59 17.817-122.895-109.878 1.00 0.00 C ATOM 940 C LYS A 59 17.119-123.927-108.989 1.00 0.00 C ATOM 941 O LYS A 59 17.517-124.137-107.842 1.00 0.00 O ATOM 942 CB LYS A 59 17.151-121.524-109.714 1.00 0.00 C ATOM 943 CG LYS A 59 18.018-120.359-110.180 1.00 0.00 C ATOM 944 CD LYS A 59 17.891-119.157-109.253 1.00 0.00 C ATOM 945 CE LYS A 59 18.738-117.987-109.731 1.00 0.00 C ATOM 946 NZ LYS A 59 18.624-116.809-108.826 1.00 0.00 N ATOM 0 H LYS A 59 17.218-122.710-111.880 1.00 0.00 H new ATOM 0 HA LYS A 59 18.859-122.826-109.566 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.216-121.515-110.274 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.896-121.378-108.664 1.00 0.00 H new ATOM 0 HG2 LYS A 59 19.060-120.676-110.225 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.729-120.071-111.191 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.847-118.851-109.195 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.197-119.440-108.246 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.781-118.296-109.794 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.429-117.703-110.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.216-116.035-109.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.633-116.497-108.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.943-117.072-107.872 1.00 0.00 H new ATOM 960 N ARG A 60 16.079-124.569-109.528 1.00 0.00 N ATOM 961 CA ARG A 60 15.327-125.578-108.794 1.00 0.00 C ATOM 962 C ARG A 60 16.136-126.873-108.667 1.00 0.00 C ATOM 963 O ARG A 60 17.027-126.972-107.821 1.00 0.00 O ATOM 964 CB ARG A 60 13.994-125.848-109.492 1.00 0.00 C ATOM 965 CG ARG A 60 13.051-124.660-109.509 1.00 0.00 C ATOM 966 CD ARG A 60 11.928-124.803-108.490 1.00 0.00 C ATOM 967 NE ARG A 60 10.974-123.694-108.562 1.00 0.00 N ATOM 968 CZ ARG A 60 9.763-123.706-107.995 1.00 0.00 C ATOM 969 NH1 ARG A 60 9.345-124.767-107.309 1.00 0.00 N ATOM 970 NH2 ARG A 60 8.967-122.650-108.115 1.00 0.00 N ATOM 0 H ARG A 60 15.741-124.403-110.476 1.00 0.00 H new ATOM 0 HA ARG A 60 15.130-125.201-107.790 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.190-126.157-110.519 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.500-126.683-108.996 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.613-123.749-109.303 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.623-124.552-110.506 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.403-125.743-108.659 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.353-124.851-107.487 1.00 0.00 H new ATOM 0 HE ARG A 60 11.251-122.859-109.078 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.950-125.582-107.211 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.419-124.765-106.881 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.280-121.832-108.639 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.043-122.656-107.684 1.00 0.00 H new ATOM 1101 N LEU A 71 7.564-114.061-104.085 1.00 0.00 N ATOM 1102 CA LEU A 71 8.016-113.565-105.384 1.00 0.00 C ATOM 1103 C LEU A 71 7.756-114.605-106.467 1.00 0.00 C ATOM 1104 O LEU A 71 7.227-114.284-107.527 1.00 0.00 O ATOM 1105 CB LEU A 71 9.492-113.189-105.336 1.00 0.00 C ATOM 1106 CG LEU A 71 9.932-112.145-106.370 1.00 0.00 C ATOM 1107 CD1 LEU A 71 10.146-112.802-107.723 1.00 0.00 C ATOM 1108 CD2 LEU A 71 8.909-111.017-106.486 1.00 0.00 C ATOM 0 HA LEU A 71 7.449-112.666-105.627 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.722-112.811-104.340 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.086-114.092-105.479 1.00 0.00 H new ATOM 0 HG LEU A 71 10.874-111.713-106.032 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.458-112.050-108.447 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.918-113.566-107.638 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.215-113.262-108.055 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.249-110.293-107.226 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.948-111.428-106.795 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.800-110.524-105.520 1.00 0.00 H new ATOM 1120 N ARG A 72 8.132-115.854-106.183 1.00 0.00 N ATOM 1121 CA ARG A 72 7.931-116.962-107.124 1.00 0.00 C ATOM 1122 C ARG A 72 6.577-116.808-107.816 1.00 0.00 C ATOM 1123 O ARG A 72 6.457-116.949-109.034 1.00 0.00 O ATOM 1124 CB ARG A 72 7.989-118.314-106.399 1.00 0.00 C ATOM 1125 CG ARG A 72 9.119-118.426-105.385 1.00 0.00 C ATOM 1126 CD ARG A 72 9.878-119.738-105.528 1.00 0.00 C ATOM 1127 NE ARG A 72 11.064-119.787-104.670 1.00 0.00 N ATOM 1128 CZ ARG A 72 11.958-120.781-104.682 1.00 0.00 C ATOM 1129 NH1 ARG A 72 11.809-121.816-105.503 1.00 0.00 N ATOM 1130 NH2 ARG A 72 13.005-120.738-103.865 1.00 0.00 N ATOM 0 H ARG A 72 8.579-116.125-105.307 1.00 0.00 H new ATOM 0 HA ARG A 72 8.729-116.934-107.866 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.040-118.482-105.890 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.099-119.107-107.139 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.808-117.591-105.515 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.712-118.349-104.377 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.216-120.568-105.278 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.178-119.871-106.567 1.00 0.00 H new ATOM 0 HE ARG A 72 11.218-119.014-104.022 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.007-121.857-106.132 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.497-122.569-105.504 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.125-119.948-103.231 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.689-121.495-103.872 1.00 0.00 H new ATOM 1144 N ALA A 73 5.558-116.539-107.004 1.00 0.00 N ATOM 1145 CA ALA A 73 4.196-116.379-107.488 1.00 0.00 C ATOM 1146 C ALA A 73 4.027-115.141-108.376 1.00 0.00 C ATOM 1147 O ALA A 73 3.154-115.113-109.245 1.00 0.00 O ATOM 1148 CB ALA A 73 3.227-116.312-106.319 1.00 0.00 C ATOM 0 H ALA A 73 5.656-116.427-105.995 1.00 0.00 H new ATOM 0 HA ALA A 73 3.974-117.251-108.103 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.211-116.192-106.695 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.293-117.232-105.739 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.481-115.463-105.684 1.00 0.00 H new ATOM 1154 N LYS A 74 4.849-114.114-108.140 1.00 0.00 N ATOM 1155 CA LYS A 74 4.769-112.867-108.908 1.00 0.00 C ATOM 1156 C LYS A 74 5.680-112.860-110.140 1.00 0.00 C ATOM 1157 O LYS A 74 5.363-112.209-111.137 1.00 0.00 O ATOM 1158 CB LYS A 74 5.100-111.677-108.011 1.00 0.00 C ATOM 1159 CG LYS A 74 3.906-111.136-107.235 1.00 0.00 C ATOM 1160 CD LYS A 74 3.367-112.156-106.241 1.00 0.00 C ATOM 1161 CE LYS A 74 2.175-111.612-105.464 1.00 0.00 C ATOM 1162 NZ LYS A 74 2.579-110.575-104.472 1.00 0.00 N ATOM 0 H LYS A 74 5.576-114.121-107.425 1.00 0.00 H new ATOM 0 HA LYS A 74 3.744-112.789-109.271 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.876-111.972-107.305 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.515-110.877-108.624 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.198-110.230-106.704 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.116-110.856-107.932 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.072-113.061-106.772 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.157-112.438-105.545 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.453-111.185-106.160 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.675-112.431-104.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.742-110.257-103.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.274-110.978-103.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.003-109.766-104.969 1.00 0.00 H new ATOM 1176 N VAL A 75 6.807-113.578-110.080 1.00 0.00 N ATOM 1177 CA VAL A 75 7.736-113.637-111.198 1.00 0.00 C ATOM 1178 C VAL A 75 7.097-114.293-112.428 1.00 0.00 C ATOM 1179 O VAL A 75 7.461-113.986-113.564 1.00 0.00 O ATOM 1180 CB VAL A 75 9.021-114.399-110.806 1.00 0.00 C ATOM 1181 CG1 VAL A 75 8.708-115.795-110.288 1.00 0.00 C ATOM 1182 CG2 VAL A 75 9.973-114.469-111.975 1.00 0.00 C ATOM 0 H VAL A 75 7.092-114.124-109.267 1.00 0.00 H new ATOM 0 HA VAL A 75 7.996-112.610-111.455 1.00 0.00 H new ATOM 0 HB VAL A 75 9.499-113.846-109.998 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.636-116.301-110.022 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.070-115.722-109.408 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.194-116.364-111.063 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.872-115.009-111.680 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.493-114.989-112.804 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.242-113.460-112.286 1.00 0.00 H new ATOM 1192 N MET A 76 6.136-115.184-112.190 1.00 0.00 N ATOM 1193 CA MET A 76 5.432-115.876-113.267 1.00 0.00 C ATOM 1194 C MET A 76 4.659-114.901-114.171 1.00 0.00 C ATOM 1195 O MET A 76 4.434-115.193-115.344 1.00 0.00 O ATOM 1196 CB MET A 76 4.466-116.909-112.676 1.00 0.00 C ATOM 1197 CG MET A 76 5.155-118.137-112.094 1.00 0.00 C ATOM 1198 SD MET A 76 4.173-118.953-110.818 1.00 0.00 S ATOM 1199 CE MET A 76 2.784-119.548-111.780 1.00 0.00 C ATOM 0 H MET A 76 5.826-115.445-111.254 1.00 0.00 H new ATOM 0 HA MET A 76 6.181-116.375-113.882 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.874-116.433-111.895 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.771-117.228-113.453 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.361-118.846-112.896 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.117-117.843-111.673 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.143-120.165-111.150 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.213-118.700-112.158 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.149-120.142-112.618 1.00 0.00 H new ATOM 1209 N GLY A 77 4.241-113.749-113.630 1.00 0.00 N ATOM 1210 CA GLY A 77 3.486-112.785-114.430 1.00 0.00 C ATOM 1211 C GLY A 77 4.278-112.187-115.590 1.00 0.00 C ATOM 1212 O GLY A 77 3.687-111.784-116.593 1.00 0.00 O ATOM 0 H GLY A 77 4.409-113.469-112.664 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.596-113.274-114.825 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.145-111.978-113.782 1.00 0.00 H new ATOM 1216 N ARG A 78 5.611-112.134-115.469 1.00 0.00 N ATOM 1217 CA ARG A 78 6.457-111.586-116.542 1.00 0.00 C ATOM 1218 C ARG A 78 6.427-112.498-117.769 1.00 0.00 C ATOM 1219 O ARG A 78 6.658-112.050-118.893 1.00 0.00 O ATOM 1220 CB ARG A 78 7.897-111.365-116.035 1.00 0.00 C ATOM 1221 CG ARG A 78 8.995-111.661-117.058 1.00 0.00 C ATOM 1222 CD ARG A 78 9.028-110.622-118.177 1.00 0.00 C ATOM 1223 NE ARG A 78 9.947-109.519-117.881 1.00 0.00 N ATOM 1224 CZ ARG A 78 10.178-108.495-118.708 1.00 0.00 C ATOM 1225 NH1 ARG A 78 9.562-108.422-119.886 1.00 0.00 N ATOM 1226 NH2 ARG A 78 11.030-107.539-118.354 1.00 0.00 N ATOM 0 H ARG A 78 6.124-112.459-114.650 1.00 0.00 H new ATOM 0 HA ARG A 78 6.059-110.617-116.842 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.996-110.330-115.707 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.058-111.993-115.159 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.962-111.684-116.556 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.835-112.650-117.486 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.328-111.103-119.108 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.025-110.225-118.332 1.00 0.00 H new ATOM 0 HE ARG A 78 10.441-109.534-116.989 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.906-109.152-120.165 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.746-107.636-120.510 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.506-107.588-117.453 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.208-106.756-118.983 1.00 0.00 H new ATOM 1240 N LEU A 79 6.059-113.756-117.554 1.00 0.00 N ATOM 1241 CA LEU A 79 5.905-114.702-118.646 1.00 0.00 C ATOM 1242 C LEU A 79 4.445-114.668-119.074 1.00 0.00 C ATOM 1243 O LEU A 79 4.123-114.814-120.253 1.00 0.00 O ATOM 1244 CB LEU A 79 6.348-116.105-118.230 1.00 0.00 C ATOM 1245 CG LEU A 79 7.735-116.530-118.748 1.00 0.00 C ATOM 1246 CD1 LEU A 79 8.640-115.326-119.002 1.00 0.00 C ATOM 1247 CD2 LEU A 79 8.396-117.486-117.767 1.00 0.00 C ATOM 0 H LEU A 79 5.862-114.142-116.631 1.00 0.00 H new ATOM 0 HA LEU A 79 6.543-114.426-119.486 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.350-116.161-117.141 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.609-116.823-118.584 1.00 0.00 H new ATOM 0 HG LEU A 79 7.587-117.039-119.700 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.608-115.669-119.366 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.181-114.677-119.748 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.777-114.772-118.074 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.375-117.777-118.147 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.513-116.993-116.802 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.774-118.373-117.648 1.00 0.00 H new ATOM 1259 N ASP A 80 3.569-114.419-118.086 1.00 0.00 N ATOM 1260 CA ASP A 80 2.145-114.294-118.315 1.00 0.00 C ATOM 1261 C ASP A 80 1.881-113.246-119.400 1.00 0.00 C ATOM 1262 O ASP A 80 0.879-113.314-120.112 1.00 0.00 O ATOM 1263 CB ASP A 80 1.433-113.896-117.010 1.00 0.00 C ATOM 1264 CG ASP A 80 -0.042-114.255-117.017 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -0.383-115.375-116.582 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -0.855-113.415-117.455 1.00 0.00 O ATOM 0 H ASP A 80 3.842-114.301-117.110 1.00 0.00 H new ATOM 0 HA ASP A 80 1.754-115.255-118.649 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.920-114.391-116.169 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.541-112.823-116.854 1.00 0.00 H new ATOM 1271 N LEU A 81 2.808-112.281-119.525 1.00 0.00 N ATOM 1272 CA LEU A 81 2.703-111.224-120.529 1.00 0.00 C ATOM 1273 C LEU A 81 2.611-111.818-121.940 1.00 0.00 C ATOM 1274 O LEU A 81 1.836-111.344-122.770 1.00 0.00 O ATOM 1275 CB LEU A 81 3.913-110.282-120.423 1.00 0.00 C ATOM 1276 CG LEU A 81 3.776-109.162-119.382 1.00 0.00 C ATOM 1277 CD1 LEU A 81 5.149-108.716-118.891 1.00 0.00 C ATOM 1278 CD2 LEU A 81 3.003-107.982-119.955 1.00 0.00 C ATOM 0 H LEU A 81 3.639-112.217-118.938 1.00 0.00 H new ATOM 0 HA LEU A 81 1.792-110.656-120.342 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.796-110.875-120.182 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.089-109.830-121.399 1.00 0.00 H new ATOM 0 HG LEU A 81 3.217-109.554-118.532 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.031-107.922-118.154 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.664-109.561-118.435 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.734-108.346-119.733 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.919-107.201-119.199 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.530-107.590-120.825 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.006-108.309-120.251 1.00 0.00 H new ATOM 1290 N ILE A 82 3.412-112.859-122.200 1.00 0.00 N ATOM 1291 CA ILE A 82 3.428-113.526-123.506 1.00 0.00 C ATOM 1292 C ILE A 82 2.053-114.106-123.827 1.00 0.00 C ATOM 1293 O ILE A 82 1.586-114.033-124.965 1.00 0.00 O ATOM 1294 CB ILE A 82 4.481-114.662-123.556 1.00 0.00 C ATOM 1295 CG1 ILE A 82 5.856-114.129-123.117 1.00 0.00 C ATOM 1296 CG2 ILE A 82 4.549-115.266-124.960 1.00 0.00 C ATOM 1297 CD1 ILE A 82 7.024-114.986-123.560 1.00 0.00 C ATOM 0 H ILE A 82 4.059-113.258-121.520 1.00 0.00 H new ATOM 0 HA ILE A 82 3.694-112.773-124.248 1.00 0.00 H new ATOM 0 HB ILE A 82 4.183-115.450-122.865 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.987-113.123-123.514 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.871-114.047-122.030 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.293-116.062-124.978 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.574-115.674-125.228 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.828-114.493-125.676 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.955-114.541-123.210 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.920-115.987-123.141 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.038-115.048-124.648 1.00 0.00 H new ATOM 1309 N ARG A 83 1.419-114.690-122.808 1.00 0.00 N ATOM 1310 CA ARG A 83 0.102-115.301-122.952 1.00 0.00 C ATOM 1311 C ARG A 83 -0.944-114.329-123.517 1.00 0.00 C ATOM 1312 O ARG A 83 -1.945-114.758-124.092 1.00 0.00 O ATOM 1313 CB ARG A 83 -0.373-115.858-121.617 1.00 0.00 C ATOM 1314 CG ARG A 83 0.219-117.212-121.300 1.00 0.00 C ATOM 1315 CD ARG A 83 0.036-117.591-119.835 1.00 0.00 C ATOM 1316 NE ARG A 83 -0.252-119.017-119.666 1.00 0.00 N ATOM 1317 CZ ARG A 83 -1.458-119.571-119.845 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -2.501-118.828-120.204 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -1.617-120.878-119.663 1.00 0.00 N ATOM 0 H ARG A 83 1.804-114.751-121.866 1.00 0.00 H new ATOM 0 HA ARG A 83 0.209-116.113-123.671 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.112-115.158-120.823 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.460-115.936-121.628 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.249-117.968-121.930 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.282-117.208-121.543 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.938-117.336-119.280 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.778-117.004-119.408 1.00 0.00 H new ATOM 0 HE ARG A 83 0.517-119.629-119.394 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.387-117.824-120.346 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.414-119.262-120.337 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.822-121.455-119.388 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.534-121.304-119.798 1.00 0.00 H new ATOM 1333 N SER A 84 -0.705-113.021-123.360 1.00 0.00 N ATOM 1334 CA SER A 84 -1.626-112.002-123.864 1.00 0.00 C ATOM 1335 C SER A 84 -1.238-111.564-125.279 1.00 0.00 C ATOM 1336 O SER A 84 -2.102-111.207-126.083 1.00 0.00 O ATOM 1337 CB SER A 84 -1.653-110.790-122.926 1.00 0.00 C ATOM 1338 OG SER A 84 -0.447-110.050-123.007 1.00 0.00 O ATOM 0 H SER A 84 0.118-112.647-122.888 1.00 0.00 H new ATOM 0 HA SER A 84 -2.623-112.440-123.901 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.495-110.147-123.183 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.809-111.124-121.900 1.00 0.00 H new ATOM 0 HG SER A 84 0.316-110.656-122.901 1.00 0.00 H new ATOM 1344 N GLY A 85 0.066-111.599-125.575 1.00 0.00 N ATOM 1345 CA GLY A 85 0.552-111.212-126.887 1.00 0.00 C ATOM 1346 C GLY A 85 1.390-109.943-126.867 1.00 0.00 C ATOM 1347 O GLY A 85 2.054-109.625-127.855 1.00 0.00 O ATOM 0 H GLY A 85 0.793-111.891-124.922 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.147-112.026-127.301 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.298-111.067-127.554 1.00 0.00 H new