USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=12 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 -89:sc= 0.306 USER MOD Set 1.2: A 37 HIS : no HE2:sc= -0.38 X(o=-0.074,f=-0.18) USER MOD Single : A 0 HIS : no HD1:sc=-0.00493 X(o=-0.0049,f=-0.019) USER MOD Single : A 0 HIS N :NH3+ -174:sc= 0 (180deg=-0.0143) 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= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 17 HIS : no HE2:sc= -0.649 K(o=-0.65,f=-2.9!) USER MOD Single : A 19 TYR OH : rot 172:sc= 0.889 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 :FLIP amide:sc= -0.833 F(o=-2,f=-0.83) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0567) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 176:sc= -0.018 (180deg=-0.0625) USER MOD Single : A 84 SER OG : rot -63:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 0 4.877-151.233-124.639 1.00 0.00 N ATOM 22 CA HIS A 0 5.405-149.866-124.578 1.00 0.00 C ATOM 23 C HIS A 0 6.934-149.855-124.689 1.00 0.00 C ATOM 24 O HIS A 0 7.640-149.914-123.681 1.00 0.00 O ATOM 25 CB HIS A 0 4.964-149.168-123.282 1.00 0.00 C ATOM 26 CG HIS A 0 3.480-148.978-123.176 1.00 0.00 C ATOM 27 ND1 HIS A 0 2.644-149.901-122.584 1.00 0.00 N ATOM 28 CD2 HIS A 0 2.684-147.963-123.590 1.00 0.00 C ATOM 29 CE1 HIS A 0 1.398-149.462-122.641 1.00 0.00 C ATOM 30 NE2 HIS A 0 1.397-148.289-123.244 1.00 0.00 N ATOM 0 H1 HIS A 0 3.838-151.203-124.664 1.00 0.00 H new ATOM 0 H2 HIS A 0 5.230-151.704-125.496 1.00 0.00 H new ATOM 0 H3 HIS A 0 5.188-151.763-123.800 1.00 0.00 H new ATOM 0 HA HIS A 0 4.997-149.318-125.427 1.00 0.00 H new ATOM 0 HB2 HIS A 0 5.309-149.753-122.429 1.00 0.00 H new ATOM 0 HB3 HIS A 0 5.452-148.195-123.219 1.00 0.00 H new ATOM 0 HD2 HIS A 0 3.003-147.065-124.098 1.00 0.00 H new ATOM 0 HE1 HIS A 0 0.529-149.977-122.259 1.00 0.00 H new ATOM 0 HE2 HIS A 0 0.572-147.716-123.424 1.00 0.00 H new ATOM 39 N MET A 1 7.434-149.781-125.925 1.00 0.00 N ATOM 40 CA MET A 1 8.874-149.763-126.178 1.00 0.00 C ATOM 41 C MET A 1 9.357-148.344-126.489 1.00 0.00 C ATOM 42 O MET A 1 10.312-147.859-125.877 1.00 0.00 O ATOM 43 CB MET A 1 9.224-150.707-127.337 1.00 0.00 C ATOM 44 CG MET A 1 10.684-151.145-127.358 1.00 0.00 C ATOM 45 SD MET A 1 11.030-152.494-126.209 1.00 0.00 S ATOM 46 CE MET A 1 12.786-152.724-126.472 1.00 0.00 C ATOM 0 H MET A 1 6.860-149.733-126.767 1.00 0.00 H new ATOM 0 HA MET A 1 9.381-150.107-125.276 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.590-151.592-127.276 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.990-150.212-128.279 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.950-151.458-128.368 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.317-150.293-127.111 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.148-153.527-125.830 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.967-152.984-127.515 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.314-151.801-126.231 1.00 0.00 H new ATOM 56 N SER A 2 8.691-147.685-127.442 1.00 0.00 N ATOM 57 CA SER A 2 9.050-146.323-127.836 1.00 0.00 C ATOM 58 C SER A 2 7.801-145.460-128.016 1.00 0.00 C ATOM 59 O SER A 2 6.816-145.896-128.614 1.00 0.00 O ATOM 60 CB SER A 2 9.864-146.342-129.134 1.00 0.00 C ATOM 61 OG SER A 2 9.147-146.976-130.179 1.00 0.00 O ATOM 0 H SER A 2 7.900-148.075-127.954 1.00 0.00 H new ATOM 0 HA SER A 2 9.657-145.890-127.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.111-145.321-129.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.807-146.863-128.968 1.00 0.00 H new ATOM 0 HG SER A 2 9.688-146.973-130.996 1.00 0.00 H new ATOM 67 N ALA A 3 7.850-144.232-127.492 1.00 0.00 N ATOM 68 CA ALA A 3 6.725-143.302-127.592 1.00 0.00 C ATOM 69 C ALA A 3 6.961-142.265-128.691 1.00 0.00 C ATOM 70 O ALA A 3 6.113-142.075-129.565 1.00 0.00 O ATOM 71 CB ALA A 3 6.488-142.615-126.254 1.00 0.00 C ATOM 0 H ALA A 3 8.658-143.860-126.994 1.00 0.00 H new ATOM 0 HA ALA A 3 5.836-143.874-127.857 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.648-141.926-126.343 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.264-143.364-125.495 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.382-142.062-125.965 1.00 0.00 H new ATOM 77 N GLY A 4 8.118-141.598-128.639 1.00 0.00 N ATOM 78 CA GLY A 4 8.446-140.589-129.634 1.00 0.00 C ATOM 79 C GLY A 4 7.924-139.212-129.264 1.00 0.00 C ATOM 80 O GLY A 4 6.944-138.739-129.841 1.00 0.00 O ATOM 0 H GLY A 4 8.832-141.741-127.925 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.528-140.543-129.756 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.029-140.885-130.597 1.00 0.00 H new ATOM 84 N GLU A 5 8.583-138.568-128.298 1.00 0.00 N ATOM 85 CA GLU A 5 8.185-137.233-127.845 1.00 0.00 C ATOM 86 C GLU A 5 9.065-136.156-128.483 1.00 0.00 C ATOM 87 O GLU A 5 10.228-136.408-128.803 1.00 0.00 O ATOM 88 CB GLU A 5 8.272-137.143-126.315 1.00 0.00 C ATOM 89 CG GLU A 5 7.225-137.977-125.590 1.00 0.00 C ATOM 90 CD GLU A 5 7.327-137.860-124.081 1.00 0.00 C ATOM 91 OE1 GLU A 5 6.674-136.963-123.509 1.00 0.00 O ATOM 92 OE2 GLU A 5 8.061-138.667-123.472 1.00 0.00 O ATOM 0 H GLU A 5 9.396-138.950-127.814 1.00 0.00 H new ATOM 0 HA GLU A 5 7.154-137.063-128.154 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.264-137.465-125.997 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.164-136.101-126.015 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.231-137.662-125.909 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.336-139.022-125.878 1.00 0.00 H new ATOM 99 N PRO A 6 8.521-134.935-128.680 1.00 0.00 N ATOM 100 CA PRO A 6 9.268-133.823-129.284 1.00 0.00 C ATOM 101 C PRO A 6 10.295-133.216-128.324 1.00 0.00 C ATOM 102 O PRO A 6 10.063-133.150-127.116 1.00 0.00 O ATOM 103 CB PRO A 6 8.173-132.807-129.618 1.00 0.00 C ATOM 104 CG PRO A 6 7.103-133.065-128.612 1.00 0.00 C ATOM 105 CD PRO A 6 7.138-134.544-128.329 1.00 0.00 C ATOM 0 HA PRO A 6 9.851-134.143-130.148 1.00 0.00 H new ATOM 0 HB2 PRO A 6 8.545-131.785-129.548 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.803-132.942-130.634 1.00 0.00 H new ATOM 0 HG2 PRO A 6 7.278-132.491-127.702 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.128-132.765-128.996 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.915-134.757-127.284 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.405-135.084-128.928 1.00 0.00 H new ATOM 113 N HIS A 7 11.428-132.774-128.875 1.00 0.00 N ATOM 114 CA HIS A 7 12.493-132.172-128.073 1.00 0.00 C ATOM 115 C HIS A 7 13.069-130.937-128.771 1.00 0.00 C ATOM 116 O HIS A 7 13.049-129.836-128.215 1.00 0.00 O ATOM 117 CB HIS A 7 13.605-133.200-127.805 1.00 0.00 C ATOM 118 CG HIS A 7 14.489-132.857-126.653 1.00 0.00 C ATOM 119 ND1 HIS A 7 15.546-133.644-126.244 1.00 0.00 N ATOM 120 CD2 HIS A 7 14.465-131.802-125.825 1.00 0.00 C ATOM 121 CE1 HIS A 7 16.134-133.077-125.205 1.00 0.00 C ATOM 122 NE2 HIS A 7 15.495-131.954-124.930 1.00 0.00 N ATOM 0 H HIS A 7 11.630-132.822-129.874 1.00 0.00 H new ATOM 0 HA HIS A 7 12.067-131.858-127.120 1.00 0.00 H new ATOM 0 HB2 HIS A 7 13.149-134.173-127.622 1.00 0.00 H new ATOM 0 HB3 HIS A 7 14.217-133.299-128.702 1.00 0.00 H new ATOM 0 HD2 HIS A 7 13.763-130.982-125.857 1.00 0.00 H new ATOM 0 HE1 HIS A 7 16.990-133.465-124.672 1.00 0.00 H new ATOM 0 HE2 HIS A 7 15.728-131.307-124.177 1.00 0.00 H new ATOM 172 N CYS A 11 10.790-125.810-130.063 1.00 0.00 N ATOM 173 CA CYS A 11 11.242-125.294-128.769 1.00 0.00 C ATOM 174 C CYS A 11 10.116-124.577-128.033 1.00 0.00 C ATOM 175 O CYS A 11 10.171-124.428-126.815 1.00 0.00 O ATOM 176 CB CYS A 11 12.448-124.360-128.956 1.00 0.00 C ATOM 177 SG CYS A 11 14.018-125.035-128.314 1.00 0.00 S ATOM 0 HA CYS A 11 11.549-126.143-128.158 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.565-124.143-130.018 1.00 0.00 H new ATOM 0 HB3 CYS A 11 12.241-123.413-128.458 1.00 0.00 H new ATOM 0 HG CYS A 11 14.158-124.697-127.066 1.00 0.00 H new ATOM 182 N SER A 12 9.088-124.151-128.768 1.00 0.00 N ATOM 183 CA SER A 12 7.947-123.472-128.159 1.00 0.00 C ATOM 184 C SER A 12 7.209-124.419-127.208 1.00 0.00 C ATOM 185 O SER A 12 7.054-124.121-126.028 1.00 0.00 O ATOM 186 CB SER A 12 6.990-122.950-129.238 1.00 0.00 C ATOM 187 OG SER A 12 6.672-123.965-130.177 1.00 0.00 O ATOM 0 H SER A 12 9.023-124.264-129.780 1.00 0.00 H new ATOM 0 HA SER A 12 8.319-122.622-127.587 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.076-122.584-128.771 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.445-122.104-129.753 1.00 0.00 H new ATOM 0 HG SER A 12 6.059-123.606-130.852 1.00 0.00 H new ATOM 193 N GLU A 13 6.732-125.544-127.745 1.00 0.00 N ATOM 194 CA GLU A 13 5.982-126.532-126.965 1.00 0.00 C ATOM 195 C GLU A 13 6.667-126.852-125.639 1.00 0.00 C ATOM 196 O GLU A 13 6.018-126.866-124.593 1.00 0.00 O ATOM 197 CB GLU A 13 5.777-127.818-127.775 1.00 0.00 C ATOM 198 CG GLU A 13 4.728-127.692-128.872 1.00 0.00 C ATOM 199 CD GLU A 13 4.392-129.023-129.517 1.00 0.00 C ATOM 200 OE1 GLU A 13 4.757-129.222-130.696 1.00 0.00 O ATOM 201 OE2 GLU A 13 3.764-129.868-128.845 1.00 0.00 O ATOM 0 H GLU A 13 6.853-125.795-128.726 1.00 0.00 H new ATOM 0 HA GLU A 13 5.010-126.093-126.740 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.726-128.109-128.225 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.486-128.621-127.097 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.821-127.257-128.453 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.088-127.003-129.636 1.00 0.00 H new ATOM 208 N ILE A 14 7.975-127.094-125.678 1.00 0.00 N ATOM 209 CA ILE A 14 8.724-127.399-124.455 1.00 0.00 C ATOM 210 C ILE A 14 8.928-126.127-123.622 1.00 0.00 C ATOM 211 O ILE A 14 8.957-126.168-122.392 1.00 0.00 O ATOM 212 CB ILE A 14 10.087-128.070-124.764 1.00 0.00 C ATOM 213 CG1 ILE A 14 10.685-128.686-123.490 1.00 0.00 C ATOM 214 CG2 ILE A 14 11.063-127.083-125.399 1.00 0.00 C ATOM 215 CD1 ILE A 14 11.552-129.900-123.747 1.00 0.00 C ATOM 0 H ILE A 14 8.535-127.086-126.530 1.00 0.00 H new ATOM 0 HA ILE A 14 8.134-128.111-123.878 1.00 0.00 H new ATOM 0 HB ILE A 14 9.911-128.868-125.485 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.278-127.930-122.976 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.874-128.966-122.818 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.008-127.586-125.603 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.644-126.706-126.332 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.235-126.251-124.716 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.938-130.278-122.800 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.959-130.675-124.233 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.385-129.622-124.393 1.00 0.00 H new ATOM 227 N LEU A 15 9.042-124.997-124.315 1.00 0.00 N ATOM 228 CA LEU A 15 9.206-123.693-123.684 1.00 0.00 C ATOM 229 C LEU A 15 7.922-123.300-122.950 1.00 0.00 C ATOM 230 O LEU A 15 7.962-122.796-121.827 1.00 0.00 O ATOM 231 CB LEU A 15 9.551-122.684-124.762 1.00 0.00 C ATOM 232 CG LEU A 15 9.593-121.221-124.339 1.00 0.00 C ATOM 233 CD1 LEU A 15 10.227-121.040-122.961 1.00 0.00 C ATOM 234 CD2 LEU A 15 10.361-120.440-125.385 1.00 0.00 C ATOM 0 H LEU A 15 9.023-124.961-125.334 1.00 0.00 H new ATOM 0 HA LEU A 15 10.009-123.724-122.947 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.525-122.947-125.176 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.824-122.785-125.568 1.00 0.00 H new ATOM 0 HG LEU A 15 8.571-120.849-124.263 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.236-119.982-122.701 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.649-121.591-122.219 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.249-121.418-122.978 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.401-119.389-125.098 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.374-120.834-125.462 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.861-120.534-126.349 1.00 0.00 H new ATOM 246 N ASP A 16 6.783-123.593-123.580 1.00 0.00 N ATOM 247 CA ASP A 16 5.478-123.335-122.973 1.00 0.00 C ATOM 248 C ASP A 16 5.287-124.311-121.815 1.00 0.00 C ATOM 249 O ASP A 16 4.655-123.986-120.809 1.00 0.00 O ATOM 250 CB ASP A 16 4.352-123.493-124.001 1.00 0.00 C ATOM 251 CG ASP A 16 4.291-122.338-124.984 1.00 0.00 C ATOM 252 OD1 ASP A 16 3.816-121.251-124.595 1.00 0.00 O ATOM 253 OD2 ASP A 16 4.718-122.522-126.143 1.00 0.00 O ATOM 0 H ASP A 16 6.739-124.009-124.510 1.00 0.00 H new ATOM 0 HA ASP A 16 5.441-122.309-122.608 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.494-124.424-124.549 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.398-123.572-123.480 1.00 0.00 H new ATOM 258 N HIS A 17 5.892-125.500-121.958 1.00 0.00 N ATOM 259 CA HIS A 17 5.855-126.527-120.918 1.00 0.00 C ATOM 260 C HIS A 17 6.511-125.979-119.656 1.00 0.00 C ATOM 261 O HIS A 17 6.076-126.262-118.541 1.00 0.00 O ATOM 262 CB HIS A 17 6.618-127.783-121.375 1.00 0.00 C ATOM 263 CG HIS A 17 5.777-128.818-122.051 1.00 0.00 C ATOM 264 ND1 HIS A 17 4.818-128.520-122.992 1.00 0.00 N ATOM 265 CD2 HIS A 17 5.772-130.162-121.922 1.00 0.00 C ATOM 266 CE1 HIS A 17 4.251-129.638-123.410 1.00 0.00 C ATOM 267 NE2 HIS A 17 4.813-130.650-122.775 1.00 0.00 N ATOM 0 H HIS A 17 6.415-125.770-122.791 1.00 0.00 H new ATOM 0 HA HIS A 17 4.817-126.795-120.721 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.413-127.480-122.056 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.097-128.235-120.507 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.582-127.582-123.316 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.405-130.745-121.269 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.463-129.711-124.145 1.00 0.00 H new ATOM 276 N LEU A 18 7.564-125.179-119.860 1.00 0.00 N ATOM 277 CA LEU A 18 8.303-124.560-118.764 1.00 0.00 C ATOM 278 C LEU A 18 7.388-123.667-117.927 1.00 0.00 C ATOM 279 O LEU A 18 7.508-123.622-116.702 1.00 0.00 O ATOM 280 CB LEU A 18 9.476-123.741-119.323 1.00 0.00 C ATOM 281 CG LEU A 18 10.867-124.210-118.891 1.00 0.00 C ATOM 282 CD1 LEU A 18 10.964-124.283-117.375 1.00 0.00 C ATOM 283 CD2 LEU A 18 11.203-125.555-119.523 1.00 0.00 C ATOM 0 H LEU A 18 7.923-124.946-120.786 1.00 0.00 H new ATOM 0 HA LEU A 18 8.691-125.348-118.119 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.426-123.762-120.412 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.350-122.702-119.018 1.00 0.00 H new ATOM 0 HG LEU A 18 11.597-123.480-119.241 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.961-124.619-117.090 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.778-123.296-116.951 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.222-124.986-116.996 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.196-125.870-119.203 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.469-126.297-119.211 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.185-125.461-120.609 1.00 0.00 H new ATOM 295 N TYR A 19 6.471-122.963-118.596 1.00 0.00 N ATOM 296 CA TYR A 19 5.541-122.083-117.914 1.00 0.00 C ATOM 297 C TYR A 19 4.379-122.872-117.322 1.00 0.00 C ATOM 298 O TYR A 19 4.082-122.752-116.133 1.00 0.00 O ATOM 299 CB TYR A 19 5.000-121.027-118.868 1.00 0.00 C ATOM 300 CG TYR A 19 4.287-119.905-118.144 1.00 0.00 C ATOM 301 CD1 TYR A 19 2.901-119.820-118.150 1.00 0.00 C ATOM 302 CD2 TYR A 19 5.001-118.952-117.423 1.00 0.00 C ATOM 303 CE1 TYR A 19 2.245-118.819-117.462 1.00 0.00 C ATOM 304 CE2 TYR A 19 4.352-117.948-116.736 1.00 0.00 C ATOM 305 CZ TYR A 19 2.975-117.885-116.756 1.00 0.00 C ATOM 306 OH TYR A 19 2.323-116.888-116.068 1.00 0.00 O ATOM 0 H TYR A 19 6.359-122.991-119.609 1.00 0.00 H new ATOM 0 HA TYR A 19 6.084-121.592-117.107 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.822-120.614-119.452 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.313-121.496-119.572 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.327-120.549-118.702 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.080-119.000-117.401 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.166-118.767-117.476 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.920-117.214-116.184 1.00 0.00 H new ATOM 0 HH TYR A 19 2.968-116.392-115.521 1.00 0.00 H new ATOM 316 N GLU A 20 3.730-123.680-118.161 1.00 0.00 N ATOM 317 CA GLU A 20 2.600-124.503-117.721 1.00 0.00 C ATOM 318 C GLU A 20 2.970-125.266-116.449 1.00 0.00 C ATOM 319 O GLU A 20 2.155-125.413-115.539 1.00 0.00 O ATOM 320 CB GLU A 20 2.185-125.479-118.820 1.00 0.00 C ATOM 321 CG GLU A 20 1.225-124.882-119.839 1.00 0.00 C ATOM 322 CD GLU A 20 0.830-125.870-120.921 1.00 0.00 C ATOM 323 OE1 GLU A 20 1.530-125.932-121.954 1.00 0.00 O ATOM 324 OE2 GLU A 20 -0.179-126.582-120.736 1.00 0.00 O ATOM 0 H GLU A 20 3.966-123.783-119.148 1.00 0.00 H new ATOM 0 HA GLU A 20 1.756-123.847-117.507 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.078-125.830-119.338 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.718-126.351-118.362 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.328-124.533-119.326 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.688-124.010-120.301 1.00 0.00 H new ATOM 331 N PHE A 21 4.226-125.716-116.392 1.00 0.00 N ATOM 332 CA PHE A 21 4.758-126.433-115.235 1.00 0.00 C ATOM 333 C PHE A 21 4.621-125.574-113.978 1.00 0.00 C ATOM 334 O PHE A 21 4.157-126.038-112.935 1.00 0.00 O ATOM 335 CB PHE A 21 6.231-126.757-115.493 1.00 0.00 C ATOM 336 CG PHE A 21 6.833-127.762-114.552 1.00 0.00 C ATOM 337 CD1 PHE A 21 7.808-127.372-113.652 1.00 0.00 C ATOM 338 CD2 PHE A 21 6.448-129.095-114.585 1.00 0.00 C ATOM 339 CE1 PHE A 21 8.390-128.284-112.801 1.00 0.00 C ATOM 340 CE2 PHE A 21 7.025-130.015-113.730 1.00 0.00 C ATOM 341 CZ PHE A 21 7.998-129.611-112.839 1.00 0.00 C ATOM 0 H PHE A 21 4.901-125.593-117.147 1.00 0.00 H new ATOM 0 HA PHE A 21 4.199-127.356-115.083 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.333-127.129-116.512 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.807-125.834-115.432 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.117-126.338-113.616 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.691-129.416-115.285 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.151-127.965-112.105 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.715-131.049-113.759 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.453-130.329-112.172 1.00 0.00 H new ATOM 351 N LEU A 22 5.028-124.310-114.105 1.00 0.00 N ATOM 352 CA LEU A 22 4.961-123.342-113.009 1.00 0.00 C ATOM 353 C LEU A 22 3.510-123.029-112.624 1.00 0.00 C ATOM 354 O LEU A 22 3.223-122.723-111.465 1.00 0.00 O ATOM 355 CB LEU A 22 5.681-122.044-113.411 1.00 0.00 C ATOM 356 CG LEU A 22 7.201-122.044-113.198 1.00 0.00 C ATOM 357 CD1 LEU A 22 7.859-120.959-114.044 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.541-121.856-111.725 1.00 0.00 C ATOM 0 H LEU A 22 5.413-123.929-114.969 1.00 0.00 H new ATOM 0 HA LEU A 22 5.454-123.783-112.143 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.478-121.847-114.464 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.251-121.219-112.843 1.00 0.00 H new ATOM 0 HG LEU A 22 7.590-123.012-113.515 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.937-120.974-113.880 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.649-121.142-115.098 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.462-119.985-113.759 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.624-121.859-111.598 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.138-120.905-111.377 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.105-122.669-111.144 1.00 0.00 H new ATOM 370 N ASP A 23 2.601-123.096-113.605 1.00 0.00 N ATOM 371 CA ASP A 23 1.182-122.811-113.374 1.00 0.00 C ATOM 372 C ASP A 23 0.575-123.759-112.335 1.00 0.00 C ATOM 373 O ASP A 23 0.099-123.318-111.288 1.00 0.00 O ATOM 374 CB ASP A 23 0.402-122.891-114.696 1.00 0.00 C ATOM 375 CG ASP A 23 -1.032-122.411-114.562 1.00 0.00 C ATOM 376 OD1 ASP A 23 -1.262-121.188-114.672 1.00 0.00 O ATOM 377 OD2 ASP A 23 -1.925-123.259-114.349 1.00 0.00 O ATOM 0 H ASP A 23 2.825-123.346-114.568 1.00 0.00 H new ATOM 0 HA ASP A 23 1.107-121.799-112.977 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.912-122.292-115.450 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.404-123.921-115.052 1.00 0.00 H new ATOM 382 N LYS A 24 0.595-125.060-112.630 1.00 0.00 N ATOM 383 CA LYS A 24 0.048-126.067-111.721 1.00 0.00 C ATOM 384 C LYS A 24 1.010-126.366-110.570 1.00 0.00 C ATOM 385 O LYS A 24 0.613-126.935-109.551 1.00 0.00 O ATOM 386 CB LYS A 24 -0.234-127.361-112.486 1.00 0.00 C ATOM 387 CG LYS A 24 1.026-128.066-112.988 1.00 0.00 C ATOM 388 CD LYS A 24 1.153-127.970-114.502 1.00 0.00 C ATOM 389 CE LYS A 24 0.533-129.173-115.199 1.00 0.00 C ATOM 390 NZ LYS A 24 0.646-129.077-116.683 1.00 0.00 N ATOM 0 H LYS A 24 0.985-125.441-113.492 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.877-125.668-111.304 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.787-128.042-111.839 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.877-127.137-113.337 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.904-127.622-112.519 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.001-129.114-112.690 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.668-127.058-114.850 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.206-127.895-114.774 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.024-130.084-114.856 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.518-129.253-114.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.212-129.915-117.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.156-128.222-117.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.649-129.027-116.952 1.00 0.00 H new ATOM 404 N GLU A 25 2.277-125.988-110.752 1.00 0.00 N ATOM 405 CA GLU A 25 3.318-126.215-109.756 1.00 0.00 C ATOM 406 C GLU A 25 3.360-127.681-109.313 1.00 0.00 C ATOM 407 O GLU A 25 2.848-128.039-108.249 1.00 0.00 O ATOM 408 CB GLU A 25 3.122-125.284-108.552 1.00 0.00 C ATOM 409 CG GLU A 25 4.366-125.119-107.691 1.00 0.00 C ATOM 410 CD GLU A 25 4.154-124.167-106.530 1.00 0.00 C ATOM 411 OE1 GLU A 25 4.395-122.954-106.704 1.00 0.00 O ATOM 412 OE2 GLU A 25 3.744-124.634-105.446 1.00 0.00 O ATOM 0 H GLU A 25 2.607-125.517-111.594 1.00 0.00 H new ATOM 0 HA GLU A 25 4.279-125.985-110.217 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.808-124.304-108.911 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.313-125.672-107.933 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.668-126.093-107.306 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.185-124.753-108.310 1.00 0.00 H new ATOM 419 N MET A 26 3.979-128.522-110.144 1.00 0.00 N ATOM 420 CA MET A 26 4.106-129.951-109.860 1.00 0.00 C ATOM 421 C MET A 26 5.501-130.268-109.312 1.00 0.00 C ATOM 422 O MET A 26 6.392-129.416-109.350 1.00 0.00 O ATOM 423 CB MET A 26 3.835-130.765-111.134 1.00 0.00 C ATOM 424 CG MET A 26 2.447-131.390-111.183 1.00 0.00 C ATOM 425 SD MET A 26 2.154-132.327-112.697 1.00 0.00 S ATOM 426 CE MET A 26 0.496-132.939-112.403 1.00 0.00 C ATOM 0 H MET A 26 4.403-128.234-111.026 1.00 0.00 H new ATOM 0 HA MET A 26 3.370-130.224-109.103 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.962-130.117-112.001 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.582-131.555-111.214 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.320-132.048-110.324 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.697-130.604-111.097 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.173-133.539-113.254 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.489-133.553-111.503 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.185-132.098-112.273 1.00 0.00 H new ATOM 436 N PRO A 27 5.715-131.498-108.788 1.00 0.00 N ATOM 437 CA PRO A 27 7.014-131.913-108.231 1.00 0.00 C ATOM 438 C PRO A 27 8.180-131.669-109.195 1.00 0.00 C ATOM 439 O PRO A 27 7.974-131.319-110.356 1.00 0.00 O ATOM 440 CB PRO A 27 6.831-133.413-107.979 1.00 0.00 C ATOM 441 CG PRO A 27 5.364-133.589-107.793 1.00 0.00 C ATOM 442 CD PRO A 27 4.709-132.578-108.692 1.00 0.00 C ATOM 0 HA PRO A 27 7.269-131.343-107.338 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.197-134.003-108.819 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.384-133.737-107.097 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.056-134.601-108.055 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.080-133.428-106.753 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.479-133.000-109.670 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.770-132.216-108.272 1.00 0.00 H new ATOM 450 N ASP A 28 9.406-131.860-108.702 1.00 0.00 N ATOM 451 CA ASP A 28 10.618-131.664-109.508 1.00 0.00 C ATOM 452 C ASP A 28 10.943-132.893-110.364 1.00 0.00 C ATOM 453 O ASP A 28 12.081-133.071-110.803 1.00 0.00 O ATOM 454 CB ASP A 28 11.801-131.354-108.594 1.00 0.00 C ATOM 455 CG ASP A 28 11.661-130.018-107.887 1.00 0.00 C ATOM 456 OD1 ASP A 28 12.196-129.014-108.403 1.00 0.00 O ATOM 457 OD2 ASP A 28 11.016-129.977-106.819 1.00 0.00 O ATOM 0 H ASP A 28 9.588-132.152-107.742 1.00 0.00 H new ATOM 0 HA ASP A 28 10.433-130.827-110.181 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.898-132.145-107.851 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.719-131.355-109.182 1.00 0.00 H new ATOM 462 N SER A 29 9.941-133.731-110.599 1.00 0.00 N ATOM 463 CA SER A 29 10.104-134.943-111.400 1.00 0.00 C ATOM 464 C SER A 29 10.105-134.619-112.889 1.00 0.00 C ATOM 465 O SER A 29 11.104-134.845-113.573 1.00 0.00 O ATOM 466 CB SER A 29 8.959-135.900-111.090 1.00 0.00 C ATOM 467 OG SER A 29 9.040-136.390-109.763 1.00 0.00 O ATOM 0 H SER A 29 8.995-133.593-110.243 1.00 0.00 H new ATOM 0 HA SER A 29 11.060-135.402-111.149 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.007-135.389-111.233 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.981-136.735-111.790 1.00 0.00 H new ATOM 0 HG SER A 29 8.292-137.000-109.593 1.00 0.00 H new ATOM 473 N ASP A 30 8.992-134.071-113.384 1.00 0.00 N ATOM 474 CA ASP A 30 8.899-133.699-114.791 1.00 0.00 C ATOM 475 C ASP A 30 9.983-132.674-115.088 1.00 0.00 C ATOM 476 O ASP A 30 10.696-132.781-116.086 1.00 0.00 O ATOM 477 CB ASP A 30 7.510-133.133-115.125 1.00 0.00 C ATOM 478 CG ASP A 30 6.782-133.955-116.173 1.00 0.00 C ATOM 479 OD1 ASP A 30 6.053-134.894-115.790 1.00 0.00 O ATOM 480 OD2 ASP A 30 6.943-133.660-117.376 1.00 0.00 O ATOM 0 H ASP A 30 8.154-133.878-112.836 1.00 0.00 H new ATOM 0 HA ASP A 30 9.042-134.584-115.412 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.909-133.095-114.216 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.615-132.108-115.481 1.00 0.00 H new ATOM 485 N ALA A 31 10.095-131.685-114.192 1.00 0.00 N ATOM 486 CA ALA A 31 11.089-130.620-114.308 1.00 0.00 C ATOM 487 C ALA A 31 12.388-131.127-114.935 1.00 0.00 C ATOM 488 O ALA A 31 12.937-130.482-115.824 1.00 0.00 O ATOM 489 CB ALA A 31 11.374-130.005-112.941 1.00 0.00 C ATOM 0 H ALA A 31 9.498-131.604-113.369 1.00 0.00 H new ATOM 0 HA ALA A 31 10.675-129.856-114.965 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.116-129.214-113.046 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.454-129.588-112.531 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.755-130.774-112.269 1.00 0.00 H new ATOM 495 N VAL A 32 12.893-132.267-114.443 1.00 0.00 N ATOM 496 CA VAL A 32 14.147-132.867-114.915 1.00 0.00 C ATOM 497 C VAL A 32 14.323-132.905-116.445 1.00 0.00 C ATOM 498 O VAL A 32 15.453-133.029-116.921 1.00 0.00 O ATOM 499 CB VAL A 32 14.294-134.301-114.340 1.00 0.00 C ATOM 500 CG1 VAL A 32 13.609-135.335-115.231 1.00 0.00 C ATOM 501 CG2 VAL A 32 15.763-134.654-114.128 1.00 0.00 C ATOM 0 H VAL A 32 12.439-132.801-113.702 1.00 0.00 H new ATOM 0 HA VAL A 32 14.934-132.208-114.548 1.00 0.00 H new ATOM 0 HB VAL A 32 13.795-134.319-113.371 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.732-136.328-114.798 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.547-135.102-115.308 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.058-135.314-116.224 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.840-135.664-113.724 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.291-134.603-115.080 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.209-133.948-113.427 1.00 0.00 H new ATOM 511 N LYS A 33 13.240-132.771-117.222 1.00 0.00 N ATOM 512 CA LYS A 33 13.350-132.767-118.681 1.00 0.00 C ATOM 513 C LYS A 33 13.525-131.336-119.197 1.00 0.00 C ATOM 514 O LYS A 33 13.483-131.085-120.403 1.00 0.00 O ATOM 515 CB LYS A 33 12.113-133.420-119.316 1.00 0.00 C ATOM 516 CG LYS A 33 12.374-134.028-120.688 1.00 0.00 C ATOM 517 CD LYS A 33 11.127-134.690-121.258 1.00 0.00 C ATOM 518 CE LYS A 33 11.386-135.289-122.632 1.00 0.00 C ATOM 519 NZ LYS A 33 10.169-135.936-123.199 1.00 0.00 N ATOM 0 H LYS A 33 12.290-132.665-116.867 1.00 0.00 H new ATOM 0 HA LYS A 33 14.228-133.348-118.964 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.742-134.198-118.649 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.324-132.673-119.404 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.718-133.251-121.371 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.175-134.764-120.613 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.787-135.472-120.579 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.324-133.956-121.327 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.729-134.507-123.309 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.188-136.024-122.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.390-136.331-124.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.855-136.700-122.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.411-135.230-123.291 1.00 0.00 H new ATOM 533 N PHE A 34 13.747-130.411-118.263 1.00 0.00 N ATOM 534 CA PHE A 34 13.963-129.012-118.580 1.00 0.00 C ATOM 535 C PHE A 34 15.459-128.715-118.615 1.00 0.00 C ATOM 536 O PHE A 34 15.906-127.827-119.342 1.00 0.00 O ATOM 537 CB PHE A 34 13.255-128.123-117.554 1.00 0.00 C ATOM 538 CG PHE A 34 11.743-128.189-117.596 1.00 0.00 C ATOM 539 CD1 PHE A 34 10.994-127.551-116.621 1.00 0.00 C ATOM 540 CD2 PHE A 34 11.069-128.876-118.604 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.614-127.593-116.644 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.687-128.922-118.629 1.00 0.00 C ATOM 543 CZ PHE A 34 8.959-128.279-117.648 1.00 0.00 C ATOM 0 H PHE A 34 13.781-130.618-117.265 1.00 0.00 H new ATOM 0 HA PHE A 34 13.544-128.797-119.563 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.590-128.406-116.556 1.00 0.00 H new ATOM 0 HB3 PHE A 34 13.565-127.090-117.713 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.497-127.013-115.831 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.633-129.379-119.376 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.046-127.089-115.876 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.178-129.460-119.415 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.880-128.312-117.666 1.00 0.00 H new ATOM 553 N GLU A 35 16.236-129.483-117.836 1.00 0.00 N ATOM 554 CA GLU A 35 17.688-129.319-117.794 1.00 0.00 C ATOM 555 C GLU A 35 18.304-129.626-119.161 1.00 0.00 C ATOM 556 O GLU A 35 19.339-129.064-119.523 1.00 0.00 O ATOM 557 CB GLU A 35 18.300-130.227-116.729 1.00 0.00 C ATOM 558 CG GLU A 35 17.960-129.818-115.303 1.00 0.00 C ATOM 559 CD GLU A 35 18.675-130.663-114.266 1.00 0.00 C ATOM 560 OE1 GLU A 35 19.794-130.284-113.861 1.00 0.00 O ATOM 561 OE2 GLU A 35 18.116-131.702-113.858 1.00 0.00 O ATOM 0 H GLU A 35 15.879-130.221-117.229 1.00 0.00 H new ATOM 0 HA GLU A 35 17.905-128.282-117.537 1.00 0.00 H new ATOM 0 HB2 GLU A 35 17.958-131.248-116.895 1.00 0.00 H new ATOM 0 HB3 GLU A 35 19.384-130.231-116.847 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.224-128.771-115.157 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.883-129.899-115.153 1.00 0.00 H new ATOM 568 N HIS A 36 17.651-130.515-119.922 1.00 0.00 N ATOM 569 CA HIS A 36 18.126-130.888-121.257 1.00 0.00 C ATOM 570 C HIS A 36 17.990-129.721-122.244 1.00 0.00 C ATOM 571 O HIS A 36 18.650-129.702-123.283 1.00 0.00 O ATOM 572 CB HIS A 36 17.351-132.105-121.779 1.00 0.00 C ATOM 573 CG HIS A 36 17.700-133.386-121.082 1.00 0.00 C ATOM 574 ND1 HIS A 36 18.644-134.271-121.561 1.00 0.00 N ATOM 575 CD2 HIS A 36 17.225-133.930-119.935 1.00 0.00 C ATOM 576 CE1 HIS A 36 18.734-135.302-120.739 1.00 0.00 C ATOM 577 NE2 HIS A 36 17.884-135.119-119.746 1.00 0.00 N ATOM 0 H HIS A 36 16.794-130.987-119.634 1.00 0.00 H new ATOM 0 HA HIS A 36 19.182-131.143-121.174 1.00 0.00 H new ATOM 0 HB2 HIS A 36 16.283-131.920-121.667 1.00 0.00 H new ATOM 0 HB3 HIS A 36 17.544-132.218-122.846 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.469-133.507-119.290 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.391-136.150-120.859 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.740-135.758-118.964 1.00 0.00 H new ATOM 586 N HIS A 37 17.128-128.750-121.912 1.00 0.00 N ATOM 587 CA HIS A 37 16.905-127.581-122.769 1.00 0.00 C ATOM 588 C HIS A 37 18.130-126.649-122.806 1.00 0.00 C ATOM 589 O HIS A 37 18.179-125.723-123.616 1.00 0.00 O ATOM 590 CB HIS A 37 15.662-126.806-122.296 1.00 0.00 C ATOM 591 CG HIS A 37 15.210-125.731-123.245 1.00 0.00 C ATOM 592 ND1 HIS A 37 14.386-124.690-122.868 1.00 0.00 N ATOM 593 CD2 HIS A 37 15.488-125.528-124.555 1.00 0.00 C ATOM 594 CE1 HIS A 37 14.182-123.894-123.906 1.00 0.00 C ATOM 595 NE2 HIS A 37 14.840-124.380-124.942 1.00 0.00 N ATOM 0 H HIS A 37 16.574-128.753-121.055 1.00 0.00 H new ATOM 0 HA HIS A 37 16.741-127.945-123.783 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.844-127.510-122.146 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.876-126.354-121.327 1.00 0.00 H new ATOM 0 HD1 HIS A 37 13.995-124.555-121.936 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.106-126.154-125.181 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.579-122.998-123.905 1.00 0.00 H new ATOM 603 N PHE A 38 19.125-126.901-121.945 1.00 0.00 N ATOM 604 CA PHE A 38 20.347-126.089-121.903 1.00 0.00 C ATOM 605 C PHE A 38 21.426-126.673-122.822 1.00 0.00 C ATOM 606 O PHE A 38 22.488-126.077-123.017 1.00 0.00 O ATOM 607 CB PHE A 38 20.886-126.061-120.476 1.00 0.00 C ATOM 608 CG PHE A 38 20.600-124.782-119.728 1.00 0.00 C ATOM 609 CD1 PHE A 38 19.767-124.788-118.620 1.00 0.00 C ATOM 610 CD2 PHE A 38 21.161-123.578-120.126 1.00 0.00 C ATOM 611 CE1 PHE A 38 19.502-123.628-117.929 1.00 0.00 C ATOM 612 CE2 PHE A 38 20.895-122.413-119.437 1.00 0.00 C ATOM 613 CZ PHE A 38 20.065-122.443-118.338 1.00 0.00 C ATOM 0 H PHE A 38 19.107-127.663-121.267 1.00 0.00 H new ATOM 0 HA PHE A 38 20.100-125.082-122.241 1.00 0.00 H new ATOM 0 HB2 PHE A 38 20.457-126.896-119.922 1.00 0.00 H new ATOM 0 HB3 PHE A 38 21.964-126.218-120.504 1.00 0.00 H new ATOM 0 HD1 PHE A 38 19.320-125.716-118.295 1.00 0.00 H new ATOM 0 HD2 PHE A 38 21.814-123.552-120.986 1.00 0.00 H new ATOM 0 HE1 PHE A 38 18.852-123.649-117.066 1.00 0.00 H new ATOM 0 HE2 PHE A 38 21.336-121.481-119.758 1.00 0.00 H new ATOM 0 HZ PHE A 38 19.856-121.532-117.796 1.00 0.00 H new ATOM 623 N GLU A 39 21.128-127.838-123.383 1.00 0.00 N ATOM 624 CA GLU A 39 22.029-128.533-124.290 1.00 0.00 C ATOM 625 C GLU A 39 21.776-128.107-125.738 1.00 0.00 C ATOM 626 O GLU A 39 22.575-127.377-126.327 1.00 0.00 O ATOM 627 CB GLU A 39 21.866-130.044-124.138 1.00 0.00 C ATOM 628 CG GLU A 39 22.453-130.599-122.847 1.00 0.00 C ATOM 629 CD GLU A 39 23.967-130.693-122.879 1.00 0.00 C ATOM 630 OE1 GLU A 39 24.631-129.726-122.450 1.00 0.00 O ATOM 631 OE2 GLU A 39 24.487-131.733-123.334 1.00 0.00 O ATOM 0 H GLU A 39 20.249-128.329-123.220 1.00 0.00 H new ATOM 0 HA GLU A 39 23.054-128.265-124.033 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.805-130.292-124.180 1.00 0.00 H new ATOM 0 HB3 GLU A 39 22.342-130.538-124.985 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.151-129.964-122.014 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.036-131.589-122.661 1.00 0.00 H new ATOM 801 N GLU A 51 14.842-116.379-120.278 1.00 0.00 N ATOM 802 CA GLU A 51 15.721-116.980-119.266 1.00 0.00 C ATOM 803 C GLU A 51 14.946-117.277-117.976 1.00 0.00 C ATOM 804 O GLU A 51 15.292-118.190-117.231 1.00 0.00 O ATOM 805 CB GLU A 51 16.903-116.048-118.962 1.00 0.00 C ATOM 806 CG GLU A 51 18.135-116.319-119.815 1.00 0.00 C ATOM 807 CD GLU A 51 18.001-115.786-121.229 1.00 0.00 C ATOM 808 OE1 GLU A 51 17.525-116.538-122.104 1.00 0.00 O ATOM 809 OE2 GLU A 51 18.371-114.615-121.460 1.00 0.00 O ATOM 0 HA GLU A 51 16.102-117.920-119.666 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.588-115.016-119.113 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.172-116.148-117.910 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.006-115.865-119.342 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.316-117.393-119.852 1.00 0.00 H new ATOM 816 N GLN A 52 13.897-116.489-117.735 1.00 0.00 N ATOM 817 CA GLN A 52 13.046-116.640-116.552 1.00 0.00 C ATOM 818 C GLN A 52 12.757-118.111-116.230 1.00 0.00 C ATOM 819 O GLN A 52 13.159-118.616-115.182 1.00 0.00 O ATOM 820 CB GLN A 52 11.735-115.894-116.753 1.00 0.00 C ATOM 821 CG GLN A 52 10.874-115.836-115.504 1.00 0.00 C ATOM 822 CD GLN A 52 11.038-114.534-114.740 1.00 0.00 C ATOM 823 OE1 GLN A 52 9.966-113.757-114.647 1.00 0.00 O flip ATOM 824 NE2 GLN A 52 12.120-114.231-114.235 1.00 0.00 N flip ATOM 0 H GLN A 52 13.613-115.729-118.353 1.00 0.00 H new ATOM 0 HA GLN A 52 13.589-116.216-115.707 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.951-114.878-117.083 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.171-116.376-117.552 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.828-115.960-115.783 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.131-116.670-114.851 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.920-114.857-114.330 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.216-113.354-113.722 1.00 0.00 H new ATOM 833 N ALA A 53 12.038-118.779-117.131 1.00 0.00 N ATOM 834 CA ALA A 53 11.665-120.184-116.946 1.00 0.00 C ATOM 835 C ALA A 53 12.863-121.138-117.021 1.00 0.00 C ATOM 836 O ALA A 53 12.808-122.241-116.475 1.00 0.00 O ATOM 837 CB ALA A 53 10.611-120.583-117.971 1.00 0.00 C ATOM 0 H ALA A 53 11.700-118.369-118.001 1.00 0.00 H new ATOM 0 HA ALA A 53 11.257-120.273-115.939 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.340-121.629-117.826 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.727-119.958-117.846 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.011-120.448-118.976 1.00 0.00 H new ATOM 843 N VAL A 54 13.942-120.723-117.690 1.00 0.00 N ATOM 844 CA VAL A 54 15.132-121.574-117.813 1.00 0.00 C ATOM 845 C VAL A 54 16.018-121.471-116.571 1.00 0.00 C ATOM 846 O VAL A 54 16.540-122.474-116.089 1.00 0.00 O ATOM 847 CB VAL A 54 15.974-121.244-119.074 1.00 0.00 C ATOM 848 CG1 VAL A 54 16.779-122.460-119.516 1.00 0.00 C ATOM 849 CG2 VAL A 54 15.091-120.744-120.213 1.00 0.00 C ATOM 0 H VAL A 54 14.018-119.816-118.150 1.00 0.00 H new ATOM 0 HA VAL A 54 14.762-122.595-117.912 1.00 0.00 H new ATOM 0 HB VAL A 54 16.668-120.445-118.812 1.00 0.00 H new ATOM 0 HG11 VAL A 54 17.362-122.208-120.402 1.00 0.00 H new ATOM 0 HG12 VAL A 54 17.451-122.763-118.713 1.00 0.00 H new ATOM 0 HG13 VAL A 54 16.100-123.280-119.750 1.00 0.00 H new ATOM 0 HG21 VAL A 54 15.710-120.521-121.082 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.363-121.512-120.473 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.568-119.841-119.899 1.00 0.00 H new ATOM 859 N LYS A 55 16.167-120.257-116.049 1.00 0.00 N ATOM 860 CA LYS A 55 16.966-120.024-114.853 1.00 0.00 C ATOM 861 C LYS A 55 16.290-120.667-113.638 1.00 0.00 C ATOM 862 O LYS A 55 16.957-121.161-112.727 1.00 0.00 O ATOM 863 CB LYS A 55 17.143-118.515-114.632 1.00 0.00 C ATOM 864 CG LYS A 55 18.233-118.161-113.632 1.00 0.00 C ATOM 865 CD LYS A 55 19.619-118.262-114.256 1.00 0.00 C ATOM 866 CE LYS A 55 20.714-117.901-113.262 1.00 0.00 C ATOM 867 NZ LYS A 55 20.972-118.999-112.287 1.00 0.00 N ATOM 0 H LYS A 55 15.742-119.416-116.439 1.00 0.00 H new ATOM 0 HA LYS A 55 17.949-120.477-114.984 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.373-118.043-115.587 1.00 0.00 H new ATOM 0 HB3 LYS A 55 16.198-118.095-114.288 1.00 0.00 H new ATOM 0 HG2 LYS A 55 18.073-117.149-113.261 1.00 0.00 H new ATOM 0 HG3 LYS A 55 18.170-118.829-112.773 1.00 0.00 H new ATOM 0 HD2 LYS A 55 19.780-119.276-114.622 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.678-117.599-115.119 1.00 0.00 H new ATOM 0 HE2 LYS A 55 21.633-117.674-113.803 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.430-116.997-112.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 21.724-118.710-111.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 20.103-119.199-111.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.269-119.855-112.798 1.00 0.00 H new ATOM 881 N LYS A 56 14.954-120.648-113.646 1.00 0.00 N ATOM 882 CA LYS A 56 14.140-121.213-112.574 1.00 0.00 C ATOM 883 C LYS A 56 14.327-122.724-112.426 1.00 0.00 C ATOM 884 O LYS A 56 14.549-123.223-111.325 1.00 0.00 O ATOM 885 CB LYS A 56 12.667-120.924-112.854 1.00 0.00 C ATOM 886 CG LYS A 56 12.154-119.615-112.262 1.00 0.00 C ATOM 887 CD LYS A 56 12.659-119.383-110.845 1.00 0.00 C ATOM 888 CE LYS A 56 11.876-118.285-110.139 1.00 0.00 C ATOM 889 NZ LYS A 56 12.537-117.850-108.877 1.00 0.00 N ATOM 0 H LYS A 56 14.407-120.237-114.402 1.00 0.00 H new ATOM 0 HA LYS A 56 14.463-120.747-111.643 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.513-120.905-113.933 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.068-121.745-112.461 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.466-118.785-112.897 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.064-119.623-112.260 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.581-120.309-110.275 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.715-119.115-110.875 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.770-117.429-110.806 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.871-118.643-109.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.038-117.024-108.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.509-118.626-108.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.526-117.596-109.073 1.00 0.00 H new ATOM 903 N LEU A 57 14.215-123.438-113.544 1.00 0.00 N ATOM 904 CA LEU A 57 14.348-124.896-113.552 1.00 0.00 C ATOM 905 C LEU A 57 15.612-125.347-112.816 1.00 0.00 C ATOM 906 O LEU A 57 15.575-126.290-112.023 1.00 0.00 O ATOM 907 CB LEU A 57 14.323-125.420-114.992 1.00 0.00 C ATOM 908 CG LEU A 57 15.651-125.353-115.744 1.00 0.00 C ATOM 909 CD1 LEU A 57 16.458-126.627-115.537 1.00 0.00 C ATOM 910 CD2 LEU A 57 15.426-125.096-117.229 1.00 0.00 C ATOM 0 H LEU A 57 14.032-123.030-114.461 1.00 0.00 H new ATOM 0 HA LEU A 57 13.499-125.321-113.016 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.987-126.457-114.976 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.580-124.853-115.553 1.00 0.00 H new ATOM 0 HG LEU A 57 16.222-124.518-115.338 1.00 0.00 H new ATOM 0 HD11 LEU A 57 17.399-126.554-116.083 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.664-126.759-114.475 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.890-127.481-115.905 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.388-125.053-117.741 1.00 0.00 H new ATOM 0 HD22 LEU A 57 14.826-125.902-117.651 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.903-124.149-117.359 1.00 0.00 H new ATOM 922 N VAL A 58 16.723-124.662-113.080 1.00 0.00 N ATOM 923 CA VAL A 58 17.999-124.983-112.438 1.00 0.00 C ATOM 924 C VAL A 58 18.013-124.511-110.984 1.00 0.00 C ATOM 925 O VAL A 58 18.442-125.243-110.091 1.00 0.00 O ATOM 926 CB VAL A 58 19.197-124.361-113.189 1.00 0.00 C ATOM 927 CG1 VAL A 58 20.520-124.772-112.547 1.00 0.00 C ATOM 928 CG2 VAL A 58 19.173-124.745-114.663 1.00 0.00 C ATOM 0 H VAL A 58 16.767-123.881-113.734 1.00 0.00 H new ATOM 0 HA VAL A 58 18.100-126.068-112.469 1.00 0.00 H new ATOM 0 HB VAL A 58 19.109-123.277-113.117 1.00 0.00 H new ATOM 0 HG11 VAL A 58 21.346-124.320-113.096 1.00 0.00 H new ATOM 0 HG12 VAL A 58 20.543-124.432-111.512 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.616-125.857-112.575 1.00 0.00 H new ATOM 0 HG21 VAL A 58 20.026-124.295-115.170 1.00 0.00 H new ATOM 0 HG22 VAL A 58 19.225-125.830-114.757 1.00 0.00 H new ATOM 0 HG23 VAL A 58 18.250-124.386-115.118 1.00 0.00 H new ATOM 938 N LYS A 59 17.531-123.287-110.755 1.00 0.00 N ATOM 939 CA LYS A 59 17.474-122.717-109.408 1.00 0.00 C ATOM 940 C LYS A 59 16.576-123.558-108.499 1.00 0.00 C ATOM 941 O LYS A 59 16.829-123.673-107.298 1.00 0.00 O ATOM 942 CB LYS A 59 16.969-121.275-109.458 1.00 0.00 C ATOM 943 CG LYS A 59 18.064-120.253-109.740 1.00 0.00 C ATOM 944 CD LYS A 59 18.352-119.383-108.523 1.00 0.00 C ATOM 945 CE LYS A 59 19.464-118.378-108.798 1.00 0.00 C ATOM 946 NZ LYS A 59 18.988-117.226-109.616 1.00 0.00 N ATOM 0 H LYS A 59 17.174-122.672-111.486 1.00 0.00 H new ATOM 0 HA LYS A 59 18.483-122.722-108.996 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.202-121.194-110.228 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.494-121.032-108.508 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.975-120.770-110.041 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.765-119.621-110.576 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.445-118.852-108.233 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.634-120.016-107.682 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.862-118.011-107.852 1.00 0.00 H new ATOM 0 HE3 LYS A 59 20.283-118.877-109.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.776-116.567-109.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.631-117.573-110.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.224-116.733-109.111 1.00 0.00 H new ATOM 960 N ARG A 60 15.530-124.148-109.086 1.00 0.00 N ATOM 961 CA ARG A 60 14.595-124.986-108.348 1.00 0.00 C ATOM 962 C ARG A 60 15.255-126.305-107.942 1.00 0.00 C ATOM 963 O ARG A 60 16.127-126.326-107.071 1.00 0.00 O ATOM 964 CB ARG A 60 13.349-125.245-109.196 1.00 0.00 C ATOM 965 CG ARG A 60 12.414-124.061-109.276 1.00 0.00 C ATOM 966 CD ARG A 60 11.361-124.237-110.363 1.00 0.00 C ATOM 967 NE ARG A 60 10.361-125.247-110.008 1.00 0.00 N ATOM 968 CZ ARG A 60 9.329-125.032-109.184 1.00 0.00 C ATOM 969 NH1 ARG A 60 9.149-123.842-108.615 1.00 0.00 N ATOM 970 NH2 ARG A 60 8.473-126.015-108.927 1.00 0.00 N ATOM 0 H ARG A 60 15.313-124.056-110.078 1.00 0.00 H new ATOM 0 HA ARG A 60 14.299-124.464-107.438 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.657-125.522-110.204 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.809-126.096-108.782 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.922-123.922-108.313 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.990-123.157-109.473 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.864-123.284-110.542 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.848-124.523-111.295 1.00 0.00 H new ATOM 0 HE ARG A 60 10.458-126.177-110.416 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.802-123.082-108.805 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.358-123.691-107.989 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.604-126.930-109.357 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.685-125.854-108.299 1.00 0.00 H new ATOM 1101 N LEU A 71 7.447-113.547-103.672 1.00 0.00 N ATOM 1102 CA LEU A 71 7.845-112.952-104.949 1.00 0.00 C ATOM 1103 C LEU A 71 7.816-114.001-106.056 1.00 0.00 C ATOM 1104 O LEU A 71 7.326-113.735-107.151 1.00 0.00 O ATOM 1105 CB LEU A 71 9.225-112.311-104.845 1.00 0.00 C ATOM 1106 CG LEU A 71 9.527-111.233-105.888 1.00 0.00 C ATOM 1107 CD1 LEU A 71 9.905-111.860-107.221 1.00 0.00 C ATOM 1108 CD2 LEU A 71 8.329-110.324-106.056 1.00 0.00 C ATOM 0 HA LEU A 71 7.130-112.168-105.199 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.330-111.872-103.853 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.978-113.094-104.928 1.00 0.00 H new ATOM 0 HG LEU A 71 10.374-110.643-105.538 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.115-111.074-107.946 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.791-112.481-107.092 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.080-112.475-107.581 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.554-109.560-106.800 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.471-110.910-106.385 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.098-109.846-105.104 1.00 0.00 H new ATOM 1120 N ARG A 72 8.335-115.194-105.754 1.00 0.00 N ATOM 1121 CA ARG A 72 8.354-116.300-106.717 1.00 0.00 C ATOM 1122 C ARG A 72 7.031-116.332-107.473 1.00 0.00 C ATOM 1123 O ARG A 72 6.995-116.363-108.703 1.00 0.00 O ATOM 1124 CB ARG A 72 8.571-117.648-106.013 1.00 0.00 C ATOM 1125 CG ARG A 72 9.748-117.664-105.052 1.00 0.00 C ATOM 1126 CD ARG A 72 11.044-118.058-105.748 1.00 0.00 C ATOM 1127 NE ARG A 72 12.140-118.269-104.798 1.00 0.00 N ATOM 1128 CZ ARG A 72 12.314-119.386-104.083 1.00 0.00 C ATOM 1129 NH1 ARG A 72 11.467-120.407-104.198 1.00 0.00 N ATOM 1130 NH2 ARG A 72 13.342-119.480-103.247 1.00 0.00 N ATOM 0 H ARG A 72 8.748-115.420-104.849 1.00 0.00 H new ATOM 0 HA ARG A 72 9.181-116.139-107.409 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.665-117.910-105.466 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.722-118.420-106.768 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.863-116.678-104.602 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.545-118.363-104.241 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.883-118.970-106.323 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.325-117.279-106.457 1.00 0.00 H new ATOM 0 HE ARG A 72 12.815-117.514-104.674 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.675-120.343-104.837 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.611-121.253-103.647 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.995-118.702-103.152 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.478-120.330-102.700 1.00 0.00 H new ATOM 1144 N ALA A 73 5.947-116.333-106.699 1.00 0.00 N ATOM 1145 CA ALA A 73 4.595-116.370-107.238 1.00 0.00 C ATOM 1146 C ALA A 73 4.337-115.210-108.199 1.00 0.00 C ATOM 1147 O ALA A 73 3.546-115.332-109.136 1.00 0.00 O ATOM 1148 CB ALA A 73 3.571-116.360-106.109 1.00 0.00 C ATOM 0 H ALA A 73 5.985-116.308-105.680 1.00 0.00 H new ATOM 0 HA ALA A 73 4.492-117.297-107.803 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.566-116.388-106.529 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.723-117.232-105.473 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.691-115.453-105.517 1.00 0.00 H new ATOM 1154 N LYS A 74 5.013-114.085-107.958 1.00 0.00 N ATOM 1155 CA LYS A 74 4.868-112.894-108.797 1.00 0.00 C ATOM 1156 C LYS A 74 5.811-112.921-110.010 1.00 0.00 C ATOM 1157 O LYS A 74 5.629-112.153-110.956 1.00 0.00 O ATOM 1158 CB LYS A 74 5.110-111.633-107.971 1.00 0.00 C ATOM 1159 CG LYS A 74 3.867-111.109-107.262 1.00 0.00 C ATOM 1160 CD LYS A 74 3.343-112.099-106.230 1.00 0.00 C ATOM 1161 CE LYS A 74 2.215-111.502-105.399 1.00 0.00 C ATOM 1162 NZ LYS A 74 1.697-112.466-104.386 1.00 0.00 N ATOM 0 H LYS A 74 5.669-113.974-107.185 1.00 0.00 H new ATOM 0 HA LYS A 74 3.847-112.888-109.178 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.880-111.840-107.228 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.500-110.852-108.624 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.100-110.163-106.773 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.089-110.905-107.997 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.987-112.997-106.735 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.157-112.404-105.573 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.572-110.604-104.895 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.402-111.196-106.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.931-112.020-103.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.332-113.313-104.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.466-112.738-103.741 1.00 0.00 H new ATOM 1176 N VAL A 75 6.808-113.811-109.981 1.00 0.00 N ATOM 1177 CA VAL A 75 7.767-113.950-111.071 1.00 0.00 C ATOM 1178 C VAL A 75 7.103-114.529-112.315 1.00 0.00 C ATOM 1179 O VAL A 75 7.450-114.183-113.445 1.00 0.00 O ATOM 1180 CB VAL A 75 8.919-114.878-110.659 1.00 0.00 C ATOM 1181 CG1 VAL A 75 9.946-114.990-111.762 1.00 0.00 C ATOM 1182 CG2 VAL A 75 9.555-114.403-109.369 1.00 0.00 C ATOM 0 H VAL A 75 6.969-114.451-109.203 1.00 0.00 H new ATOM 0 HA VAL A 75 8.151-112.955-111.294 1.00 0.00 H new ATOM 0 HB VAL A 75 8.507-115.872-110.486 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.751-115.653-111.444 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.475-115.395-112.658 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.354-114.003-111.981 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.369-115.075-109.096 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.947-113.395-109.506 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.808-114.397-108.576 1.00 0.00 H new ATOM 1192 N MET A 76 6.142-115.415-112.080 1.00 0.00 N ATOM 1193 CA MET A 76 5.395-116.071-113.152 1.00 0.00 C ATOM 1194 C MET A 76 4.635-115.065-114.034 1.00 0.00 C ATOM 1195 O MET A 76 4.365-115.347-115.200 1.00 0.00 O ATOM 1196 CB MET A 76 4.409-117.080-112.552 1.00 0.00 C ATOM 1197 CG MET A 76 5.056-118.386-112.111 1.00 0.00 C ATOM 1198 SD MET A 76 4.067-119.282-110.895 1.00 0.00 S ATOM 1199 CE MET A 76 2.612-119.680-111.859 1.00 0.00 C ATOM 0 H MET A 76 5.857-115.700-111.143 1.00 0.00 H new ATOM 0 HA MET A 76 6.117-116.583-113.788 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.913-116.624-111.695 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.635-117.299-113.288 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.213-119.021-112.983 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.039-118.175-111.689 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.938-120.296-111.263 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.103-118.760-112.147 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.907-120.227-112.755 1.00 0.00 H new ATOM 1209 N GLY A 77 4.278-113.901-113.477 1.00 0.00 N ATOM 1210 CA GLY A 77 3.539-112.905-114.246 1.00 0.00 C ATOM 1211 C GLY A 77 4.349-112.258-115.366 1.00 0.00 C ATOM 1212 O GLY A 77 3.777-111.829-116.369 1.00 0.00 O ATOM 0 H GLY A 77 4.486-113.633-112.515 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.655-113.376-114.676 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.188-112.126-113.569 1.00 0.00 H new ATOM 1216 N ARG A 78 5.676-112.192-115.209 1.00 0.00 N ATOM 1217 CA ARG A 78 6.545-111.597-116.237 1.00 0.00 C ATOM 1218 C ARG A 78 6.520-112.433-117.518 1.00 0.00 C ATOM 1219 O ARG A 78 6.760-111.922-118.613 1.00 0.00 O ATOM 1220 CB ARG A 78 7.981-111.435-115.698 1.00 0.00 C ATOM 1221 CG ARG A 78 9.088-111.642-116.732 1.00 0.00 C ATOM 1222 CD ARG A 78 9.127-110.518-117.763 1.00 0.00 C ATOM 1223 NE ARG A 78 9.627-110.976-119.062 1.00 0.00 N ATOM 1224 CZ ARG A 78 9.732-110.196-120.142 1.00 0.00 C ATOM 1225 NH1 ARG A 78 9.376-108.914-120.091 1.00 0.00 N ATOM 1226 NH2 ARG A 78 10.198-110.701-121.279 1.00 0.00 N ATOM 0 H ARG A 78 6.171-112.540-114.388 1.00 0.00 H new ATOM 0 HA ARG A 78 6.165-110.606-116.484 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.083-110.436-115.274 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.129-112.144-114.883 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.051-111.702-116.225 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.936-112.594-117.240 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.126-110.105-117.886 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.761-109.712-117.395 1.00 0.00 H new ATOM 0 HE ARG A 78 9.913-111.951-119.147 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.019-108.518-119.221 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.460-108.328-120.921 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.474-111.682-121.326 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.279-110.108-122.105 1.00 0.00 H new ATOM 1240 N LEU A 79 6.145-113.701-117.378 1.00 0.00 N ATOM 1241 CA LEU A 79 5.995-114.588-118.521 1.00 0.00 C ATOM 1242 C LEU A 79 4.535-114.540-118.950 1.00 0.00 C ATOM 1243 O LEU A 79 4.213-114.627-120.136 1.00 0.00 O ATOM 1244 CB LEU A 79 6.441-116.010-118.169 1.00 0.00 C ATOM 1245 CG LEU A 79 7.872-116.377-118.603 1.00 0.00 C ATOM 1246 CD1 LEU A 79 8.774-115.147-118.680 1.00 0.00 C ATOM 1247 CD2 LEU A 79 8.470-117.401-117.651 1.00 0.00 C ATOM 0 H LEU A 79 5.939-114.136-116.479 1.00 0.00 H new ATOM 0 HA LEU A 79 6.630-114.265-119.346 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.361-116.142-117.090 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.748-116.715-118.628 1.00 0.00 H new ATOM 0 HG LEU A 79 7.809-116.808-119.602 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.775-115.448-118.990 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.367-114.442-119.405 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.825-114.671-117.701 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.482-117.649-117.972 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.501-116.987-116.643 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.857-118.302-117.654 1.00 0.00 H new ATOM 1259 N ASP A 80 3.656-114.356-117.951 1.00 0.00 N ATOM 1260 CA ASP A 80 2.229-114.238-118.166 1.00 0.00 C ATOM 1261 C ASP A 80 1.925-113.073-119.113 1.00 0.00 C ATOM 1262 O ASP A 80 0.904-113.073-119.801 1.00 0.00 O ATOM 1263 CB ASP A 80 1.514-114.018-116.823 1.00 0.00 C ATOM 1264 CG ASP A 80 0.075-114.503-116.840 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -0.805-113.733-117.280 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -0.170-115.651-116.415 1.00 0.00 O ATOM 0 H ASP A 80 3.931-114.286-116.971 1.00 0.00 H new ATOM 0 HA ASP A 80 1.868-115.161-118.619 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.059-114.539-116.036 1.00 0.00 H new ATOM 0 HB3 ASP A 80 1.533-112.957-116.575 1.00 0.00 H new ATOM 1271 N LEU A 81 2.830-112.082-119.145 1.00 0.00 N ATOM 1272 CA LEU A 81 2.676-110.912-120.009 1.00 0.00 C ATOM 1273 C LEU A 81 2.490-111.328-121.473 1.00 0.00 C ATOM 1274 O LEU A 81 1.696-110.730-122.200 1.00 0.00 O ATOM 1275 CB LEU A 81 3.903-109.996-119.874 1.00 0.00 C ATOM 1276 CG LEU A 81 3.857-109.013-118.695 1.00 0.00 C ATOM 1277 CD1 LEU A 81 5.265-108.597-118.288 1.00 0.00 C ATOM 1278 CD2 LEU A 81 3.017-107.792-119.043 1.00 0.00 C ATOM 0 H LEU A 81 3.678-112.073-118.578 1.00 0.00 H new ATOM 0 HA LEU A 81 1.784-110.370-119.694 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.792-110.618-119.773 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.015-109.427-120.797 1.00 0.00 H new ATOM 0 HG LEU A 81 3.390-109.518-117.849 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.211-107.901-117.451 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.833-109.478-117.990 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.760-108.114-119.131 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.998-107.109-118.194 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.450-107.286-119.906 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.000-108.105-119.279 1.00 0.00 H new ATOM 1290 N ILE A 82 3.234-112.354-121.895 1.00 0.00 N ATOM 1291 CA ILE A 82 3.165-112.857-123.268 1.00 0.00 C ATOM 1292 C ILE A 82 1.783-113.431-123.571 1.00 0.00 C ATOM 1293 O ILE A 82 1.249-113.249-124.667 1.00 0.00 O ATOM 1294 CB ILE A 82 4.236-113.944-123.526 1.00 0.00 C ATOM 1295 CG1 ILE A 82 5.602-113.468-123.007 1.00 0.00 C ATOM 1296 CG2 ILE A 82 4.300-114.288-125.016 1.00 0.00 C ATOM 1297 CD1 ILE A 82 6.780-114.213-123.589 1.00 0.00 C ATOM 0 H ILE A 82 3.895-112.855-121.301 1.00 0.00 H new ATOM 0 HA ILE A 82 3.356-112.011-123.928 1.00 0.00 H new ATOM 0 HB ILE A 82 3.961-114.850-122.986 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.712-112.407-123.229 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.622-113.571-121.922 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.058-115.054-125.180 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.330-114.661-125.345 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.558-113.395-125.585 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.705-113.815-123.171 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.697-115.272-123.345 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.789-114.090-124.672 1.00 0.00 H new ATOM 1309 N ARG A 83 1.217-114.136-122.588 1.00 0.00 N ATOM 1310 CA ARG A 83 -0.095-114.757-122.724 1.00 0.00 C ATOM 1311 C ARG A 83 -1.194-113.752-123.098 1.00 0.00 C ATOM 1312 O ARG A 83 -2.224-114.137-123.656 1.00 0.00 O ATOM 1313 CB ARG A 83 -0.472-115.486-121.440 1.00 0.00 C ATOM 1314 CG ARG A 83 0.167-116.850-121.329 1.00 0.00 C ATOM 1315 CD ARG A 83 0.084-117.411-119.915 1.00 0.00 C ATOM 1316 NE ARG A 83 -0.154-118.857-119.908 1.00 0.00 N ATOM 1317 CZ ARG A 83 -1.351-119.426-120.076 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -2.438-118.682-120.275 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -1.464-120.750-120.049 1.00 0.00 N ATOM 0 H ARG A 83 1.656-114.290-121.680 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.020-115.471-123.545 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.175-114.880-120.584 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.556-115.593-121.394 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.323-117.536-122.020 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.212-116.785-121.632 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.011-117.194-119.385 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.718-116.910-119.373 1.00 0.00 H new ATOM 0 HE ARG A 83 0.648-119.470-119.765 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.362-117.665-120.301 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.346-119.129-120.402 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.638-121.329-119.900 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.377-121.187-120.177 1.00 0.00 H new ATOM 1333 N SER A 84 -0.971-112.469-122.797 1.00 0.00 N ATOM 1334 CA SER A 84 -1.946-111.421-123.111 1.00 0.00 C ATOM 1335 C SER A 84 -1.679-110.816-124.491 1.00 0.00 C ATOM 1336 O SER A 84 -2.610-110.404-125.186 1.00 0.00 O ATOM 1337 CB SER A 84 -1.919-110.325-122.041 1.00 0.00 C ATOM 1338 OG SER A 84 -0.704-109.596-122.082 1.00 0.00 O ATOM 0 H SER A 84 -0.125-112.132-122.337 1.00 0.00 H new ATOM 0 HA SER A 84 -2.936-111.878-123.124 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.758-109.646-122.191 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.044-110.773-121.055 1.00 0.00 H new ATOM 0 HG SER A 84 0.044-110.196-121.882 1.00 0.00 H new ATOM 1344 N GLY A 85 -0.402-110.768-124.882 1.00 0.00 N ATOM 1345 CA GLY A 85 -0.028-110.218-126.173 1.00 0.00 C ATOM 1346 C GLY A 85 0.367-108.752-126.104 1.00 0.00 C ATOM 1347 O GLY A 85 0.220-108.022-127.085 1.00 0.00 O ATOM 0 H GLY A 85 0.381-111.103-124.321 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.804-110.794-126.579 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.862-110.331-126.865 1.00 0.00 H new