USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 489 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 71 HIS : no HE2:sc= 0.969 K(o=2.3,f=-2.7) USER MOD Set 1.2: A 95 TYR OH : rot -163:sc= 1.29 USER MOD Set 2.1: A 92 TYR OH : rot 124:sc= 1.21 USER MOD Set 2.2: A 113 LYS NZ :NH3+ 174:sc= 0.15 (180deg=-0.246) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 46 GLN : amide:sc= -0.0572 X(o=-0.057,f=-0.059) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 24:sc= 1.23 USER MOD Single : A 73 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.0006) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= -0.0195 (180deg=-0.193) USER MOD Single : A 105 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.311) USER MOD Single : A 106 MET CE :methyl -155:sc= -0.238 (180deg=-0.358) USER MOD Single : A 110 TYR OH : rot -101:sc= 0.711 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 140:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -112.532-124.947 3.083 1.00 0.00 N ATOM 114 CA ASP A 41 -113.195-123.963 3.923 1.00 0.00 C ATOM 115 C ASP A 41 -114.009-123.038 3.037 1.00 0.00 C ATOM 116 O ASP A 41 -113.553-122.509 2.014 1.00 0.00 O ATOM 117 CB ASP A 41 -112.246-123.244 4.925 1.00 0.00 C ATOM 118 CG ASP A 41 -110.882-122.844 4.351 1.00 0.00 C ATOM 119 OD1 ASP A 41 -110.829-121.909 3.513 1.00 0.00 O ATOM 120 OD2 ASP A 41 -109.867-123.467 4.768 1.00 0.00 O ATOM 0 HA ASP A 41 -113.883-124.476 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -112.744-122.348 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.085-123.897 5.783 1.00 0.00 H new ATOM 125 N VAL A 42 -115.289-122.831 3.462 1.00 0.00 N ATOM 126 CA VAL A 42 -116.287-121.973 2.832 1.00 0.00 C ATOM 127 C VAL A 42 -116.387-120.789 3.770 1.00 0.00 C ATOM 128 O VAL A 42 -116.705-120.893 4.954 1.00 0.00 O ATOM 129 CB VAL A 42 -117.614-122.694 2.547 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.150-123.474 3.765 1.00 0.00 C ATOM 131 CG2 VAL A 42 -118.679-121.730 1.973 1.00 0.00 C ATOM 0 H VAL A 42 -115.652-123.290 4.297 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.003-121.654 1.829 1.00 0.00 H new ATOM 0 HB VAL A 42 -117.395-123.438 1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.089-123.961 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -117.422-124.228 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -118.319-122.785 4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -119.602-122.278 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -118.871-120.931 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -118.316-121.301 1.039 1.00 0.00 H new ATOM 141 N ILE A 43 -116.001-119.601 3.261 1.00 0.00 N ATOM 142 CA ILE A 43 -115.755-118.390 4.024 1.00 0.00 C ATOM 143 C ILE A 43 -116.920-117.409 3.907 1.00 0.00 C ATOM 144 O ILE A 43 -117.729-117.496 2.980 1.00 0.00 O ATOM 145 CB ILE A 43 -114.399-117.857 3.534 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.310-118.972 3.557 1.00 0.00 C ATOM 147 CG2 ILE A 43 -113.914-116.624 4.319 1.00 0.00 C ATOM 148 CD1 ILE A 43 -113.014-119.551 4.943 1.00 0.00 C ATOM 0 H ILE A 43 -115.849-119.468 2.261 1.00 0.00 H new ATOM 0 HA ILE A 43 -115.697-118.571 5.097 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.560-117.538 2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.626-119.782 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -112.387-118.567 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -112.952-116.297 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -114.641-115.818 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -113.805-116.883 5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.245-120.319 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.664-118.756 5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -113.922-119.991 5.355 1.00 0.00 H new ATOM 160 N THR A 44 -117.049-116.456 4.878 1.00 0.00 N ATOM 161 CA THR A 44 -118.118-115.458 4.951 1.00 0.00 C ATOM 162 C THR A 44 -117.489-114.073 4.864 1.00 0.00 C ATOM 163 O THR A 44 -116.783-113.609 5.769 1.00 0.00 O ATOM 164 CB THR A 44 -119.063-115.609 6.168 1.00 0.00 C ATOM 165 OG1 THR A 44 -118.591-116.542 7.132 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.413-116.165 5.680 1.00 0.00 C ATOM 0 H THR A 44 -116.383-116.374 5.646 1.00 0.00 H new ATOM 0 HA THR A 44 -118.783-115.620 4.103 1.00 0.00 H new ATOM 0 HB THR A 44 -119.133-114.622 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 44 -119.227-116.593 7.876 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.089-116.276 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.850-115.477 4.956 1.00 0.00 H new ATOM 0 HG23 THR A 44 -120.258-117.136 5.210 1.00 0.00 H new ATOM 174 N PHE A 45 -117.714-113.387 3.712 1.00 0.00 N ATOM 175 CA PHE A 45 -117.144-112.070 3.393 1.00 0.00 C ATOM 176 C PHE A 45 -118.154-110.923 3.571 1.00 0.00 C ATOM 177 O PHE A 45 -119.276-111.012 3.051 1.00 0.00 O ATOM 178 CB PHE A 45 -116.672-112.089 1.920 1.00 0.00 C ATOM 179 CG PHE A 45 -115.792-113.289 1.641 1.00 0.00 C ATOM 180 CD1 PHE A 45 -116.344-114.490 1.217 1.00 0.00 C ATOM 181 CD2 PHE A 45 -114.416-113.210 1.703 1.00 0.00 C ATOM 182 CE1 PHE A 45 -115.546-115.560 0.892 1.00 0.00 C ATOM 183 CE2 PHE A 45 -113.622-114.294 1.424 1.00 0.00 C ATOM 184 CZ PHE A 45 -114.185-115.462 0.992 1.00 0.00 C ATOM 0 H PHE A 45 -118.311-113.751 2.969 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.320-111.889 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.538-112.108 1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.123-111.173 1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -117.417-114.585 1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -113.953-112.274 1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -115.995-116.483 0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -112.551-114.224 1.546 1.00 0.00 H new ATOM 0 HZ PHE A 45 -113.559-116.303 0.731 1.00 0.00 H new ATOM 194 N GLN A 46 -117.773-109.822 4.300 1.00 0.00 N ATOM 195 CA GLN A 46 -118.672-108.719 4.654 1.00 0.00 C ATOM 196 C GLN A 46 -118.029-107.328 4.551 1.00 0.00 C ATOM 197 O GLN A 46 -116.818-107.195 4.354 1.00 0.00 O ATOM 198 CB GLN A 46 -119.289-109.005 6.056 1.00 0.00 C ATOM 199 CG GLN A 46 -118.288-109.320 7.194 1.00 0.00 C ATOM 200 CD GLN A 46 -119.019-109.922 8.402 1.00 0.00 C ATOM 201 OE1 GLN A 46 -120.099-109.473 8.787 1.00 0.00 O ATOM 202 NE2 GLN A 46 -118.437-110.969 9.027 1.00 0.00 N ATOM 0 H GLN A 46 -116.823-109.695 4.650 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.470-108.681 3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -119.882-108.140 6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -119.976-109.846 5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -117.529-110.016 6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -117.769-108.409 7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -117.542-111.328 8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -118.893-111.400 9.831 1.00 0.00 H new ATOM 211 N SER A 47 -118.862-106.244 4.662 1.00 0.00 N ATOM 212 CA SER A 47 -118.410-104.851 4.503 1.00 0.00 C ATOM 213 C SER A 47 -119.114-103.915 5.502 1.00 0.00 C ATOM 214 O SER A 47 -120.138-104.243 6.103 1.00 0.00 O ATOM 215 CB SER A 47 -118.722-104.354 3.050 1.00 0.00 C ATOM 216 OG SER A 47 -118.041-103.146 2.690 1.00 0.00 O ATOM 0 H SER A 47 -119.858-106.328 4.864 1.00 0.00 H new ATOM 0 HA SER A 47 -117.337-104.828 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 47 -118.450-105.137 2.343 1.00 0.00 H new ATOM 0 HB3 SER A 47 -119.796-104.196 2.953 1.00 0.00 H new ATOM 0 HG SER A 47 -118.280-102.896 1.773 1.00 0.00 H new ATOM 222 N TYR A 48 -118.583-102.680 5.662 1.00 0.00 N ATOM 223 CA TYR A 48 -119.097-101.608 6.489 1.00 0.00 C ATOM 224 C TYR A 48 -119.323-100.431 5.537 1.00 0.00 C ATOM 225 O TYR A 48 -118.427-100.049 4.785 1.00 0.00 O ATOM 226 CB TYR A 48 -118.030-101.297 7.577 1.00 0.00 C ATOM 227 CG TYR A 48 -118.427-100.271 8.609 1.00 0.00 C ATOM 228 CD1 TYR A 48 -119.611-100.373 9.320 1.00 0.00 C ATOM 229 CD2 TYR A 48 -117.565 -99.227 8.893 1.00 0.00 C ATOM 230 CE1 TYR A 48 -119.926 -99.450 10.302 1.00 0.00 C ATOM 231 CE2 TYR A 48 -117.872 -98.311 9.875 1.00 0.00 C ATOM 232 CZ TYR A 48 -119.048 -98.419 10.582 1.00 0.00 C ATOM 233 OH TYR A 48 -119.318 -97.451 11.572 1.00 0.00 O ATOM 0 H TYR A 48 -117.728-102.407 5.177 1.00 0.00 H new ATOM 0 HA TYR A 48 -120.028-101.846 7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.781-102.225 8.091 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.122-100.954 7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -120.295-101.181 9.106 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.643 -99.129 8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -120.854 -99.535 10.848 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -117.187 -97.505 10.091 1.00 0.00 H new ATOM 0 HH TYR A 48 -118.576 -96.812 11.616 1.00 0.00 H new ATOM 431 N TRP A 62 -123.714-102.697 9.147 1.00 0.00 N ATOM 432 CA TRP A 62 -122.921-103.828 8.750 1.00 0.00 C ATOM 433 C TRP A 62 -123.828-104.699 7.857 1.00 0.00 C ATOM 434 O TRP A 62 -125.007-104.922 8.148 1.00 0.00 O ATOM 435 CB TRP A 62 -122.456-104.542 10.051 1.00 0.00 C ATOM 436 CG TRP A 62 -121.241-103.876 10.694 1.00 0.00 C ATOM 437 CD1 TRP A 62 -121.082-103.059 11.782 1.00 0.00 C ATOM 438 CD2 TRP A 62 -119.927-104.099 10.178 1.00 0.00 C ATOM 439 NE1 TRP A 62 -119.749-102.772 11.968 1.00 0.00 N ATOM 440 CE2 TRP A 62 -119.037-103.427 11.003 1.00 0.00 C ATOM 441 CE3 TRP A 62 -119.505-104.815 9.106 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -117.704-103.498 10.799 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -118.145-104.885 8.884 1.00 0.00 C ATOM 444 CH2 TRP A 62 -117.250-104.250 9.733 1.00 0.00 C ATOM 0 HA TRP A 62 -122.026-103.576 8.182 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -123.278-104.554 10.766 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -122.216-105.581 9.823 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -121.886-102.693 12.404 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -119.361-102.175 12.698 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -120.206-105.311 8.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -117.014-102.982 11.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -117.772-105.442 8.037 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -116.188-104.345 9.559 1.00 0.00 H new ATOM 455 N VAL A 63 -123.266-105.144 6.699 1.00 0.00 N ATOM 456 CA VAL A 63 -123.923-105.858 5.612 1.00 0.00 C ATOM 457 C VAL A 63 -123.010-107.018 5.202 1.00 0.00 C ATOM 458 O VAL A 63 -121.786-106.895 5.281 1.00 0.00 O ATOM 459 CB VAL A 63 -124.155-104.916 4.404 1.00 0.00 C ATOM 460 CG1 VAL A 63 -124.996-105.597 3.303 1.00 0.00 C ATOM 461 CG2 VAL A 63 -124.872-103.610 4.835 1.00 0.00 C ATOM 0 H VAL A 63 -122.276-104.994 6.506 1.00 0.00 H new ATOM 0 HA VAL A 63 -124.895-106.227 5.938 1.00 0.00 H new ATOM 0 HB VAL A 63 -123.168-104.678 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -125.137-104.905 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -124.478-106.488 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -125.967-105.879 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -125.019-102.971 3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -125.839-103.854 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -124.262-103.086 5.570 1.00 0.00 H new ATOM 471 N ASP A 64 -123.594-108.156 4.713 1.00 0.00 N ATOM 472 CA ASP A 64 -122.893-109.343 4.202 1.00 0.00 C ATOM 473 C ASP A 64 -122.781-109.246 2.683 1.00 0.00 C ATOM 474 O ASP A 64 -123.723-108.838 2.011 1.00 0.00 O ATOM 475 CB ASP A 64 -123.600-110.671 4.590 1.00 0.00 C ATOM 476 CG ASP A 64 -123.592-110.822 6.114 1.00 0.00 C ATOM 477 OD1 ASP A 64 -122.477-110.918 6.694 1.00 0.00 O ATOM 478 OD2 ASP A 64 -124.698-110.842 6.715 1.00 0.00 O ATOM 0 H ASP A 64 -124.608-108.259 4.669 1.00 0.00 H new ATOM 0 HA ASP A 64 -121.904-109.362 4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.625-110.673 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -123.091-111.516 4.127 1.00 0.00 H new ATOM 483 N GLU A 65 -121.589-109.572 2.115 1.00 0.00 N ATOM 484 CA GLU A 65 -121.256-109.391 0.704 1.00 0.00 C ATOM 485 C GLU A 65 -121.551-110.626 -0.125 1.00 0.00 C ATOM 486 O GLU A 65 -122.274-110.589 -1.117 1.00 0.00 O ATOM 487 CB GLU A 65 -119.752-108.994 0.567 1.00 0.00 C ATOM 488 CG GLU A 65 -119.355-108.335 -0.769 1.00 0.00 C ATOM 489 CD GLU A 65 -120.013-106.965 -0.914 1.00 0.00 C ATOM 490 OE1 GLU A 65 -119.785-106.099 -0.027 1.00 0.00 O ATOM 491 OE2 GLU A 65 -120.751-106.765 -1.915 1.00 0.00 O ATOM 0 H GLU A 65 -120.823-109.978 2.653 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.888-108.592 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.500-108.310 1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.145-109.889 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -118.271-108.230 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.653-108.976 -1.599 1.00 0.00 H new ATOM 498 N PHE A 66 -120.954-111.767 0.293 1.00 0.00 N ATOM 499 CA PHE A 66 -121.078-113.040 -0.401 1.00 0.00 C ATOM 500 C PHE A 66 -120.505-114.090 0.529 1.00 0.00 C ATOM 501 O PHE A 66 -119.931-113.787 1.578 1.00 0.00 O ATOM 502 CB PHE A 66 -120.390-113.107 -1.840 1.00 0.00 C ATOM 503 CG PHE A 66 -118.870-112.983 -1.850 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.287-111.798 -1.477 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.031-114.055 -2.116 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.945-111.708 -1.218 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.663-113.951 -1.916 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.115-112.782 -1.425 1.00 0.00 C ATOM 0 H PHE A 66 -120.372-111.815 1.129 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.132-113.205 -0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.663-114.052 -2.310 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.806-112.312 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.901-110.915 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.448-114.981 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.535-110.781 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.022-114.789 -2.146 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.059-112.714 -1.209 1.00 0.00 H new ATOM 518 N THR A 67 -120.576-115.370 0.112 1.00 0.00 N ATOM 519 CA THR A 67 -119.923-116.478 0.791 1.00 0.00 C ATOM 520 C THR A 67 -119.322-117.305 -0.328 1.00 0.00 C ATOM 521 O THR A 67 -119.964-117.580 -1.341 1.00 0.00 O ATOM 522 CB THR A 67 -120.820-117.269 1.761 1.00 0.00 C ATOM 523 OG1 THR A 67 -120.140-118.342 2.419 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.086-117.820 1.082 1.00 0.00 C ATOM 0 H THR A 67 -121.098-115.654 -0.717 1.00 0.00 H new ATOM 0 HA THR A 67 -119.160-116.121 1.482 1.00 0.00 H new ATOM 0 HB THR A 67 -121.110-116.536 2.514 1.00 0.00 H new ATOM 0 HG1 THR A 67 -119.177-118.161 2.430 1.00 0.00 H new ATOM 0 HG21 THR A 67 -122.681-118.369 1.812 1.00 0.00 H new ATOM 0 HG22 THR A 67 -122.674-116.993 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 67 -121.801-118.489 0.270 1.00 0.00 H new ATOM 532 N ALA A 68 -118.052-117.703 -0.166 1.00 0.00 N ATOM 533 CA ALA A 68 -117.393-118.514 -1.199 1.00 0.00 C ATOM 534 C ALA A 68 -116.412-119.526 -0.649 1.00 0.00 C ATOM 535 O ALA A 68 -115.815-119.331 0.410 1.00 0.00 O ATOM 536 CB ALA A 68 -116.677-117.632 -2.260 1.00 0.00 C ATOM 0 H ALA A 68 -117.474-117.485 0.646 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.205-119.068 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.203-118.271 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.406-116.986 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -115.919-117.020 -1.772 1.00 0.00 H new ATOM 542 N ALA A 69 -116.175-120.618 -1.444 1.00 0.00 N ATOM 543 CA ALA A 69 -115.191-121.670 -1.224 1.00 0.00 C ATOM 544 C ALA A 69 -113.878-121.107 -1.755 1.00 0.00 C ATOM 545 O ALA A 69 -113.740-120.738 -2.924 1.00 0.00 O ATOM 546 CB ALA A 69 -115.600-122.992 -1.913 1.00 0.00 C ATOM 0 H ALA A 69 -116.710-120.773 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.104-121.933 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.840-123.751 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.556-123.330 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.692-122.829 -2.987 1.00 0.00 H new ATOM 552 N ALA A 70 -112.923-120.910 -0.827 1.00 0.00 N ATOM 553 CA ALA A 70 -111.802-120.066 -1.165 1.00 0.00 C ATOM 554 C ALA A 70 -110.788-120.293 -0.117 1.00 0.00 C ATOM 555 O ALA A 70 -111.144-120.608 1.015 1.00 0.00 O ATOM 556 CB ALA A 70 -112.216-118.571 -1.042 1.00 0.00 C ATOM 0 H ALA A 70 -112.915-121.308 0.112 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.451-120.285 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.368-117.936 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.042-118.365 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.529-118.363 -0.019 1.00 0.00 H new ATOM 562 N HIS A 71 -109.487-120.061 -0.415 1.00 0.00 N ATOM 563 CA HIS A 71 -108.440-120.085 0.590 1.00 0.00 C ATOM 564 C HIS A 71 -108.243-118.615 0.960 1.00 0.00 C ATOM 565 O HIS A 71 -107.692-117.857 0.165 1.00 0.00 O ATOM 566 CB HIS A 71 -107.059-120.584 0.052 1.00 0.00 C ATOM 567 CG HIS A 71 -106.980-121.986 -0.481 1.00 0.00 C ATOM 568 ND1 HIS A 71 -105.844-122.756 -0.334 1.00 0.00 N ATOM 569 CD2 HIS A 71 -107.743-122.630 -1.405 1.00 0.00 C ATOM 570 CE1 HIS A 71 -105.969-123.815 -1.170 1.00 0.00 C ATOM 571 NE2 HIS A 71 -107.093-123.768 -1.859 1.00 0.00 N ATOM 0 H HIS A 71 -109.153-119.855 -1.357 1.00 0.00 H new ATOM 0 HA HIS A 71 -108.735-120.755 1.397 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -106.744-119.906 -0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -106.332-120.491 0.859 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -105.058-122.564 0.287 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -108.717-122.302 -1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -105.236-124.603 -1.261 1.00 0.00 H new ATOM 579 N VAL A 72 -108.672-118.179 2.179 1.00 0.00 N ATOM 580 CA VAL A 72 -108.523-116.800 2.670 1.00 0.00 C ATOM 581 C VAL A 72 -107.753-117.130 3.957 1.00 0.00 C ATOM 582 O VAL A 72 -108.348-117.571 4.934 1.00 0.00 O ATOM 583 CB VAL A 72 -109.925-116.121 2.860 1.00 0.00 C ATOM 584 CG1 VAL A 72 -109.996-114.554 2.821 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.947-116.686 1.846 1.00 0.00 C ATOM 0 H VAL A 72 -109.136-118.793 2.848 1.00 0.00 H new ATOM 0 HA VAL A 72 -108.022-116.069 2.035 1.00 0.00 H new ATOM 0 HB VAL A 72 -110.166-116.379 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -111.027-114.233 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -109.372-114.142 3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -109.638-114.197 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.912-116.202 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -110.597-116.494 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -111.053-117.760 1.996 1.00 0.00 H new ATOM 595 N GLN A 73 -106.390-117.006 3.974 1.00 0.00 N ATOM 596 CA GLN A 73 -105.552-117.544 5.051 1.00 0.00 C ATOM 597 C GLN A 73 -104.444-116.559 5.456 1.00 0.00 C ATOM 598 O GLN A 73 -104.019-115.739 4.631 1.00 0.00 O ATOM 599 CB GLN A 73 -104.880-118.900 4.618 1.00 0.00 C ATOM 600 CG GLN A 73 -105.833-120.096 4.320 1.00 0.00 C ATOM 601 CD GLN A 73 -106.845-120.436 5.428 1.00 0.00 C ATOM 602 OE1 GLN A 73 -108.028-120.629 5.117 1.00 0.00 O ATOM 603 NE2 GLN A 73 -106.380-120.579 6.697 1.00 0.00 N ATOM 0 H GLN A 73 -105.863-116.532 3.241 1.00 0.00 H new ATOM 0 HA GLN A 73 -106.211-117.711 5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -104.282-118.713 3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -104.191-119.204 5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -106.384-119.878 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -105.226-120.980 4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -105.395-120.408 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -107.016-120.857 7.445 1.00 0.00 H new ATOM 612 N PRO A 74 -103.932-116.600 6.723 1.00 0.00 N ATOM 613 CA PRO A 74 -102.894-115.705 7.257 1.00 0.00 C ATOM 614 C PRO A 74 -101.501-115.958 6.680 1.00 0.00 C ATOM 615 O PRO A 74 -101.130-117.116 6.460 1.00 0.00 O ATOM 616 CB PRO A 74 -102.909-116.008 8.768 1.00 0.00 C ATOM 617 CG PRO A 74 -103.405-117.444 8.882 1.00 0.00 C ATOM 618 CD PRO A 74 -104.428-117.516 7.756 1.00 0.00 C ATOM 0 HA PRO A 74 -103.103-114.667 7.000 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -101.915-115.899 9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -103.566-115.321 9.301 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -102.599-118.166 8.748 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -103.854-117.645 9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -104.518-118.532 7.371 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -105.417-117.218 8.104 1.00 0.00 H new ATOM 626 N ILE A 75 -100.741-114.854 6.421 1.00 0.00 N ATOM 627 CA ILE A 75 -99.382-114.669 5.887 1.00 0.00 C ATOM 628 C ILE A 75 -99.014-115.530 4.686 1.00 0.00 C ATOM 629 O ILE A 75 -99.030-115.106 3.532 1.00 0.00 O ATOM 630 CB ILE A 75 -98.313-114.620 6.994 1.00 0.00 C ATOM 631 CG1 ILE A 75 -98.719-113.525 8.023 1.00 0.00 C ATOM 632 CG2 ILE A 75 -96.916-114.312 6.398 1.00 0.00 C ATOM 633 CD1 ILE A 75 -97.810-113.410 9.250 1.00 0.00 C ATOM 0 H ILE A 75 -101.145-113.939 6.618 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.401-113.673 5.444 1.00 0.00 H new ATOM 0 HB ILE A 75 -98.253-115.590 7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -98.738-112.561 7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -99.735-113.727 8.362 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -96.177-114.282 7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -96.646-115.090 5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -96.941-113.347 5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -98.179-112.620 9.903 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -97.807-114.356 9.791 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -96.795-113.172 8.930 1.00 0.00 H new ATOM 894 N GLY A 91 -100.383-109.951 7.682 1.00 0.00 N ATOM 895 CA GLY A 91 -100.446-110.102 6.244 1.00 0.00 C ATOM 896 C GLY A 91 -101.359-111.239 5.926 1.00 0.00 C ATOM 897 O GLY A 91 -101.438-112.220 6.666 1.00 0.00 O ATOM 0 HA2 GLY A 91 -100.810-109.184 5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -99.452-110.290 5.839 1.00 0.00 H new ATOM 901 N TYR A 92 -102.070-111.142 4.780 1.00 0.00 N ATOM 902 CA TYR A 92 -102.952-112.167 4.234 1.00 0.00 C ATOM 903 C TYR A 92 -102.528-112.396 2.804 1.00 0.00 C ATOM 904 O TYR A 92 -102.193-111.461 2.067 1.00 0.00 O ATOM 905 CB TYR A 92 -104.497-111.864 4.260 1.00 0.00 C ATOM 906 CG TYR A 92 -105.056-112.321 5.573 1.00 0.00 C ATOM 907 CD1 TYR A 92 -104.711-111.733 6.778 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.846-113.448 5.592 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.037-112.339 7.976 1.00 0.00 C ATOM 910 CE2 TYR A 92 -106.155-114.062 6.782 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.738-113.526 7.974 1.00 0.00 C ATOM 912 OH TYR A 92 -106.008-114.209 9.173 1.00 0.00 O ATOM 0 H TYR A 92 -102.035-110.307 4.195 1.00 0.00 H new ATOM 0 HA TYR A 92 -102.841-113.035 4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -104.675-110.797 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -104.996-112.377 3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -104.182-110.791 6.782 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -106.226-113.853 4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -104.744-111.884 8.911 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.732-114.975 6.779 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.974-114.354 9.257 1.00 0.00 H new ATOM 922 N ASN A 93 -102.621-113.692 2.405 1.00 0.00 N ATOM 923 CA ASN A 93 -102.368-114.154 1.042 1.00 0.00 C ATOM 924 C ASN A 93 -103.629-114.950 0.771 1.00 0.00 C ATOM 925 O ASN A 93 -104.018-115.840 1.531 1.00 0.00 O ATOM 926 CB ASN A 93 -101.041-114.962 0.906 1.00 0.00 C ATOM 927 CG ASN A 93 -100.477-114.986 -0.525 1.00 0.00 C ATOM 928 OD1 ASN A 93 -101.157-114.770 -1.526 1.00 0.00 O ATOM 929 ND2 ASN A 93 -99.153-115.264 -0.609 1.00 0.00 N ATOM 0 H ASN A 93 -102.879-114.446 3.042 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.200-113.360 0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -100.294-114.533 1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.214-115.986 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -98.696-115.298 -1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -98.614-115.439 0.239 1.00 0.00 H new ATOM 936 N ILE A 94 -104.364-114.534 -0.286 1.00 0.00 N ATOM 937 CA ILE A 94 -105.721-114.976 -0.540 1.00 0.00 C ATOM 938 C ILE A 94 -105.921-115.209 -2.029 1.00 0.00 C ATOM 939 O ILE A 94 -105.713-114.334 -2.880 1.00 0.00 O ATOM 940 CB ILE A 94 -106.744-114.010 0.136 1.00 0.00 C ATOM 941 CG1 ILE A 94 -108.135-113.829 -0.527 1.00 0.00 C ATOM 942 CG2 ILE A 94 -106.144-112.603 0.417 1.00 0.00 C ATOM 943 CD1 ILE A 94 -109.001-115.067 -0.694 1.00 0.00 C ATOM 0 H ILE A 94 -104.013-113.876 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 94 -105.908-115.943 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 94 -106.940-114.556 1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.696-113.103 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -107.983-113.390 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -106.899-111.973 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -105.286-112.700 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -105.826-112.149 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -109.942-114.791 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -108.479-115.795 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -109.204-115.504 0.284 1.00 0.00 H new ATOM 955 N TYR A 95 -106.398-116.445 -2.372 1.00 0.00 N ATOM 956 CA TYR A 95 -106.825-116.821 -3.710 1.00 0.00 C ATOM 957 C TYR A 95 -108.218-117.449 -3.538 1.00 0.00 C ATOM 958 O TYR A 95 -108.457-118.321 -2.692 1.00 0.00 O ATOM 959 CB TYR A 95 -105.749-117.593 -4.564 1.00 0.00 C ATOM 960 CG TYR A 95 -105.949-119.082 -4.664 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.862-119.579 -5.577 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.381-119.942 -3.751 1.00 0.00 C ATOM 963 CE1 TYR A 95 -107.239-120.899 -5.552 1.00 0.00 C ATOM 964 CE2 TYR A 95 -105.764-121.267 -3.721 1.00 0.00 C ATOM 965 CZ TYR A 95 -106.701-121.749 -4.615 1.00 0.00 C ATOM 966 OH TYR A 95 -107.166-123.076 -4.525 1.00 0.00 O ATOM 0 H TYR A 95 -106.488-117.204 -1.696 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.920-115.959 -4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -105.742-117.176 -5.571 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.765-117.404 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -107.284-118.919 -6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -104.636-119.579 -3.058 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -107.958-121.269 -6.268 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -105.327-121.934 -2.992 1.00 0.00 H new ATOM 0 HH TYR A 95 -106.894-123.460 -3.665 1.00 0.00 H new ATOM 976 N THR A 96 -109.169-116.938 -4.344 1.00 0.00 N ATOM 977 CA THR A 96 -110.580-117.275 -4.393 1.00 0.00 C ATOM 978 C THR A 96 -110.975-117.305 -5.874 1.00 0.00 C ATOM 979 O THR A 96 -110.274-116.678 -6.679 1.00 0.00 O ATOM 980 CB THR A 96 -111.397-116.261 -3.537 1.00 0.00 C ATOM 981 OG1 THR A 96 -112.794-116.509 -3.514 1.00 0.00 O ATOM 982 CG2 THR A 96 -111.203-114.772 -3.880 1.00 0.00 C ATOM 0 H THR A 96 -108.936-116.220 -5.030 1.00 0.00 H new ATOM 0 HA THR A 96 -110.795-118.252 -3.960 1.00 0.00 H new ATOM 0 HB THR A 96 -110.962-116.445 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 96 -113.237-115.835 -2.957 1.00 0.00 H new ATOM 0 HG21 THR A 96 -111.821-114.163 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 96 -110.155-114.502 -3.748 1.00 0.00 H new ATOM 0 HG23 THR A 96 -111.495-114.596 -4.915 1.00 0.00 H new ATOM 990 N PRO A 97 -112.045-117.993 -6.358 1.00 0.00 N ATOM 991 CA PRO A 97 -112.605-117.797 -7.712 1.00 0.00 C ATOM 992 C PRO A 97 -113.342-116.438 -7.807 1.00 0.00 C ATOM 993 O PRO A 97 -113.911-115.991 -6.807 1.00 0.00 O ATOM 994 CB PRO A 97 -113.584-118.979 -7.860 1.00 0.00 C ATOM 995 CG PRO A 97 -114.059-119.261 -6.428 1.00 0.00 C ATOM 996 CD PRO A 97 -112.805-118.987 -5.594 1.00 0.00 C ATOM 0 HA PRO A 97 -111.848-117.774 -8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -114.419-118.724 -8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -113.093-119.850 -8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.886-118.611 -6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -114.406-120.288 -6.312 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -113.065-118.609 -4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.224-119.897 -5.445 1.00 0.00 H new ATOM 1004 N TYR A 98 -113.257-115.790 -8.998 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.680-114.503 -9.573 1.00 0.00 C ATOM 1006 C TYR A 98 -114.335-113.351 -8.792 1.00 0.00 C ATOM 1007 O TYR A 98 -114.989-112.464 -9.342 1.00 0.00 O ATOM 1008 CB TYR A 98 -114.415-114.783 -10.914 1.00 0.00 C ATOM 1009 CG TYR A 98 -114.030-113.828 -12.022 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -112.704-113.559 -12.342 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -115.026-113.207 -12.748 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -112.393-112.703 -13.377 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -114.718-112.331 -13.769 1.00 0.00 C ATOM 1014 CZ TYR A 98 -113.401-112.094 -14.089 1.00 0.00 C ATOM 1015 OH TYR A 98 -113.073-111.239 -15.156 1.00 0.00 O ATOM 0 H TYR A 98 -112.771-116.295 -9.739 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.706-114.016 -9.630 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -114.199-115.803 -11.232 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -115.491-114.722 -10.750 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.911-114.024 -11.775 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -116.061-113.409 -12.514 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -111.360-112.511 -13.629 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -115.507-111.834 -14.314 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.895-110.888 -15.559 1.00 0.00 H new ATOM 1025 N ASP A 99 -114.107-113.326 -7.468 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.520-112.311 -6.510 1.00 0.00 C ATOM 1027 C ASP A 99 -113.326-111.441 -6.149 1.00 0.00 C ATOM 1028 O ASP A 99 -112.270-111.956 -5.775 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.088-112.927 -5.197 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.355-113.732 -5.496 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -117.342-113.120 -5.986 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.355-114.964 -5.228 1.00 0.00 O ATOM 0 H ASP A 99 -113.588-114.078 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.309-111.727 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.340-113.571 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.312-112.135 -4.482 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.484-110.090 -6.220 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.502-109.059 -5.858 1.00 0.00 C ATOM 1039 C ASP A 100 -112.922-108.423 -4.526 1.00 0.00 C ATOM 1040 O ASP A 100 -112.499-107.333 -4.130 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.477-107.953 -6.954 1.00 0.00 C ATOM 1042 CG ASP A 100 -111.964-108.538 -8.273 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -110.753-108.880 -8.337 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -112.773-108.647 -9.232 1.00 0.00 O ATOM 0 H ASP A 100 -114.356-109.680 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.514-109.510 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -113.478-107.543 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.836-107.130 -6.638 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.847-109.136 -3.844 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.623-108.753 -2.688 1.00 0.00 C ATOM 1051 C ARG A 101 -114.151-109.230 -1.312 1.00 0.00 C ATOM 1052 O ARG A 101 -114.800-108.950 -0.313 1.00 0.00 O ATOM 1053 CB ARG A 101 -116.093-109.131 -2.971 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.696-108.554 -4.271 1.00 0.00 C ATOM 1055 CD ARG A 101 -116.599-107.025 -4.435 1.00 0.00 C ATOM 1056 NE ARG A 101 -117.229-106.346 -3.246 1.00 0.00 N ATOM 1057 CZ ARG A 101 -117.133-104.998 -3.023 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -116.458-104.191 -3.892 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -117.718-104.454 -1.917 1.00 0.00 N ATOM 0 H ARG A 101 -114.076-110.086 -4.135 1.00 0.00 H new ATOM 0 HA ARG A 101 -114.484-107.678 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -116.168-110.218 -3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.702-108.798 -2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.198-109.024 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -117.747-108.840 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -115.555-106.725 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -117.101-106.715 -5.351 1.00 0.00 H new ATOM 0 HE ARG A 101 -117.749-106.915 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -116.017-104.590 -4.721 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -116.395-103.189 -3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -118.223-105.050 -1.262 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -117.650-103.451 -1.745 1.00 0.00 H new ATOM 1073 N ILE A 102 -113.008-109.959 -1.179 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.342-110.381 0.022 1.00 0.00 C ATOM 1075 C ILE A 102 -111.708-109.239 0.843 1.00 0.00 C ATOM 1076 O ILE A 102 -112.222-108.860 1.893 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.365-111.484 -0.400 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -110.220-111.131 -1.399 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -112.209-112.586 -1.061 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -110.527-110.344 -2.690 1.00 0.00 C ATOM 0 H ILE A 102 -112.506-110.281 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.066-110.770 0.739 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.842-111.749 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -109.473-110.563 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -109.751-112.069 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -111.558-113.400 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -112.938-112.965 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -112.730-112.176 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -109.606-110.196 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -111.238-110.904 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -110.955-109.375 -2.432 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.581-108.647 0.379 1.00 0.00 N ATOM 1093 CA ASP A 103 -109.859-107.566 1.005 1.00 0.00 C ATOM 1094 C ASP A 103 -109.799-106.376 0.048 1.00 0.00 C ATOM 1095 O ASP A 103 -109.325-106.467 -1.079 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.438-108.077 1.402 1.00 0.00 C ATOM 1097 CG ASP A 103 -107.742-107.203 2.446 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -108.331-106.169 2.847 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -106.617-107.575 2.870 1.00 0.00 O ATOM 0 H ASP A 103 -110.145-108.945 -0.494 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.364-107.231 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.521-109.093 1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -107.816-108.126 0.508 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.274-105.203 0.519 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.186-103.920 -0.169 1.00 0.00 C ATOM 1106 C LYS A 104 -109.960-102.958 0.971 1.00 0.00 C ATOM 1107 O LYS A 104 -108.868-102.452 1.200 1.00 0.00 O ATOM 1108 CB LYS A 104 -111.440-103.507 -0.997 1.00 0.00 C ATOM 1109 CG LYS A 104 -111.744-104.441 -2.180 1.00 0.00 C ATOM 1110 CD LYS A 104 -112.937-103.971 -3.028 1.00 0.00 C ATOM 1111 CE LYS A 104 -112.651-102.767 -3.938 1.00 0.00 C ATOM 1112 NZ LYS A 104 -111.599-103.082 -4.936 1.00 0.00 N ATOM 0 H LYS A 104 -110.744-105.133 1.422 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.405-103.945 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -112.306-103.481 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -111.296-102.495 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -110.861-104.513 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -111.947-105.443 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -113.274-104.803 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -113.760-103.716 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -113.566-102.472 -4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -112.337-101.917 -3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -111.570-102.334 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -110.676-103.141 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -111.813-103.993 -5.390 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.050-102.788 1.732 1.00 0.00 N ATOM 1127 CA LYS A 105 -111.225-102.062 2.973 1.00 0.00 C ATOM 1128 C LYS A 105 -112.535-102.678 3.425 1.00 0.00 C ATOM 1129 O LYS A 105 -113.629-102.165 3.177 1.00 0.00 O ATOM 1130 CB LYS A 105 -111.277-100.524 2.797 1.00 0.00 C ATOM 1131 CG LYS A 105 -111.401 -99.762 4.127 1.00 0.00 C ATOM 1132 CD LYS A 105 -111.429 -98.233 3.958 1.00 0.00 C ATOM 1133 CE LYS A 105 -110.113 -97.603 3.468 1.00 0.00 C ATOM 1134 NZ LYS A 105 -109.009 -97.832 4.430 1.00 0.00 N ATOM 0 H LYS A 105 -111.932-103.214 1.446 1.00 0.00 H new ATOM 0 HA LYS A 105 -110.404-102.152 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -110.376-100.194 2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -112.123-100.267 2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.311-100.080 4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -110.565-100.033 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -112.220 -97.976 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -111.695 -97.783 4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -109.846 -98.024 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -110.253 -96.532 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -108.531 -96.930 4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -109.394 -98.225 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -108.326 -98.502 4.022 1.00 0.00 H new ATOM 1148 N MET A 106 -112.416-103.922 3.969 1.00 0.00 N ATOM 1149 CA MET A 106 -113.522-104.850 4.213 1.00 0.00 C ATOM 1150 C MET A 106 -113.183-105.700 5.429 1.00 0.00 C ATOM 1151 O MET A 106 -112.121-105.561 6.050 1.00 0.00 O ATOM 1152 CB MET A 106 -113.744-105.791 2.968 1.00 0.00 C ATOM 1153 CG MET A 106 -114.088-105.006 1.681 1.00 0.00 C ATOM 1154 SD MET A 106 -114.553-105.944 0.213 1.00 0.00 S ATOM 1155 CE MET A 106 -116.259-106.313 0.697 1.00 0.00 C ATOM 0 H MET A 106 -111.514-104.304 4.253 1.00 0.00 H new ATOM 0 HA MET A 106 -114.436-104.281 4.385 1.00 0.00 H new ATOM 0 HB2 MET A 106 -112.844-106.382 2.799 1.00 0.00 H new ATOM 0 HB3 MET A 106 -114.549-106.493 3.187 1.00 0.00 H new ATOM 0 HG2 MET A 106 -114.906-104.325 1.915 1.00 0.00 H new ATOM 0 HG3 MET A 106 -113.225-104.391 1.425 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.594-107.217 0.188 1.00 0.00 H new ATOM 0 HE2 MET A 106 -116.307-106.465 1.775 1.00 0.00 H new ATOM 0 HE3 MET A 106 -116.904-105.480 0.419 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.099-106.643 5.771 1.00 0.00 N ATOM 1166 CA ARG A 107 -113.964-107.567 6.882 1.00 0.00 C ATOM 1167 C ARG A 107 -114.205-108.977 6.366 1.00 0.00 C ATOM 1168 O ARG A 107 -115.145-109.242 5.609 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.003-107.197 7.979 1.00 0.00 C ATOM 1170 CG ARG A 107 -115.140-108.171 9.165 1.00 0.00 C ATOM 1171 CD ARG A 107 -116.177-107.687 10.188 1.00 0.00 C ATOM 1172 NE ARG A 107 -116.411-108.775 11.202 1.00 0.00 N ATOM 1173 CZ ARG A 107 -117.515-108.812 12.010 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -118.452-107.820 11.963 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -117.687-109.860 12.868 1.00 0.00 N ATOM 0 H ARG A 107 -114.970-106.769 5.255 1.00 0.00 H new ATOM 0 HA ARG A 107 -112.966-107.510 7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -114.744-106.215 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -115.979-107.102 7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -115.427-109.155 8.795 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -114.173-108.285 9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -115.824-106.782 10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -117.111-107.433 9.686 1.00 0.00 H new ATOM 0 HE ARG A 107 -115.717-109.517 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -118.334-107.037 11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -119.270-107.861 12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -116.995-110.609 12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -118.507-109.894 13.473 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.380-109.963 6.804 1.00 0.00 N ATOM 1190 CA VAL A 108 -113.586-111.358 6.455 1.00 0.00 C ATOM 1191 C VAL A 108 -113.542-112.140 7.749 1.00 0.00 C ATOM 1192 O VAL A 108 -112.803-111.828 8.693 1.00 0.00 O ATOM 1193 CB VAL A 108 -112.605-111.910 5.402 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -112.939-113.372 5.034 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -112.734-111.091 4.107 1.00 0.00 C ATOM 0 H VAL A 108 -112.569-109.798 7.400 1.00 0.00 H new ATOM 0 HA VAL A 108 -114.552-111.460 5.961 1.00 0.00 H new ATOM 0 HB VAL A 108 -111.603-111.850 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -112.229-113.731 4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -112.876-113.995 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -113.949-113.423 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.041-111.479 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.754-111.166 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -112.499-110.047 4.312 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.357-113.223 7.784 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.378-114.218 8.823 1.00 0.00 C ATOM 1207 C ILE A 109 -114.077-115.551 8.153 1.00 0.00 C ATOM 1208 O ILE A 109 -114.895-116.108 7.405 1.00 0.00 O ATOM 1209 CB ILE A 109 -115.642-114.235 9.700 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -116.964-114.267 8.911 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -115.569-112.994 10.609 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.215-114.468 9.776 1.00 0.00 C ATOM 0 H ILE A 109 -115.036-113.412 7.047 1.00 0.00 H new ATOM 0 HA ILE A 109 -113.616-113.974 9.564 1.00 0.00 H new ATOM 0 HB ILE A 109 -115.654-115.162 10.273 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -117.066-113.333 8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -116.914-115.069 8.175 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -116.448-112.962 11.253 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -114.671-113.046 11.224 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.537-112.094 9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -119.100-114.478 9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -118.141-115.416 10.309 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.295-113.653 10.495 1.00 0.00 H new ATOM 1224 N TYR A 110 -112.858-116.079 8.498 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.322-117.399 8.149 1.00 0.00 C ATOM 1226 C TYR A 110 -112.661-118.287 9.346 1.00 0.00 C ATOM 1227 O TYR A 110 -112.159-118.047 10.446 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.772-117.506 7.931 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.188-116.156 7.793 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -110.293-115.504 6.593 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.633-115.518 8.880 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.844-114.213 6.481 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -109.156-114.233 8.754 1.00 0.00 C ATOM 1234 CZ TYR A 110 -109.247-113.585 7.542 1.00 0.00 C ATOM 1235 OH TYR A 110 -108.683-112.313 7.345 1.00 0.00 O ATOM 0 H TYR A 110 -112.198-115.544 9.063 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.758-117.672 7.188 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.313-118.026 8.772 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.562-118.095 7.039 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -110.727-116.004 5.740 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -109.572-116.026 9.831 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -109.962-113.686 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -108.712-113.734 9.603 1.00 0.00 H new ATOM 0 HH TYR A 110 -107.711-112.397 7.253 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.587-119.280 9.178 1.00 0.00 N ATOM 1246 CA ARG A 111 -114.104-120.226 10.187 1.00 0.00 C ATOM 1247 C ARG A 111 -114.520-119.675 11.574 1.00 0.00 C ATOM 1248 O ARG A 111 -114.368-120.339 12.596 1.00 0.00 O ATOM 1249 CB ARG A 111 -113.111-121.407 10.405 1.00 0.00 C ATOM 1250 CG ARG A 111 -112.748-122.202 9.141 1.00 0.00 C ATOM 1251 CD ARG A 111 -111.826-123.386 9.488 1.00 0.00 C ATOM 1252 NE ARG A 111 -111.518-124.165 8.242 1.00 0.00 N ATOM 1253 CZ ARG A 111 -110.757-125.305 8.235 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -110.218-125.793 9.389 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -110.539-125.960 7.056 1.00 0.00 N ATOM 0 H ARG A 111 -114.014-119.442 8.266 1.00 0.00 H new ATOM 0 HA ARG A 111 -115.042-120.537 9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -112.194-121.013 10.842 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -113.542-122.093 11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -113.656-122.570 8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -112.253-121.548 8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -110.903-123.022 9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -112.307-124.031 10.223 1.00 0.00 H new ATOM 0 HE ARG A 111 -111.894-123.829 7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -110.379-125.309 10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -109.654-126.642 9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -110.941-125.600 6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -109.974-126.809 7.041 1.00 0.00 H new ATOM 1269 N GLY A 112 -115.032-118.415 11.631 1.00 0.00 N ATOM 1270 CA GLY A 112 -115.356-117.684 12.855 1.00 0.00 C ATOM 1271 C GLY A 112 -114.256-116.795 13.402 1.00 0.00 C ATOM 1272 O GLY A 112 -114.425-116.218 14.473 1.00 0.00 O ATOM 0 H GLY A 112 -115.232-117.875 10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -116.235-117.068 12.666 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -115.631-118.405 13.625 1.00 0.00 H new ATOM 1276 N LYS A 113 -113.101-116.635 12.693 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.991-115.782 13.107 1.00 0.00 C ATOM 1278 C LYS A 113 -112.051-114.458 12.358 1.00 0.00 C ATOM 1279 O LYS A 113 -111.896-114.402 11.129 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.611-116.470 12.936 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.470-115.782 13.715 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.109-116.484 13.560 1.00 0.00 C ATOM 1283 CE LYS A 113 -107.411-116.242 12.214 1.00 0.00 C ATOM 1284 NZ LYS A 113 -107.081-114.810 12.040 1.00 0.00 N ATOM 0 H LYS A 113 -112.931-117.111 11.807 1.00 0.00 H new ATOM 0 HA LYS A 113 -112.099-115.591 14.175 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.689-117.506 13.265 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -110.354-116.490 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -109.379-114.751 13.374 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -109.733-115.746 14.772 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -107.450-116.149 14.361 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -108.252-117.557 13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -106.500-116.838 12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -108.057-116.572 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -106.521-114.686 11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -107.959-114.258 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -106.530-114.479 12.858 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.322-113.378 13.148 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.518-111.982 12.804 1.00 0.00 C ATOM 1300 C ILE A 114 -111.234-111.192 12.551 1.00 0.00 C ATOM 1301 O ILE A 114 -110.426-110.954 13.446 1.00 0.00 O ATOM 1302 CB ILE A 114 -113.405-111.274 13.860 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -112.922-111.329 15.347 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -114.855-111.794 13.736 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -113.004-112.674 16.093 1.00 0.00 C ATOM 0 H ILE A 114 -112.414-113.507 14.156 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.032-111.997 11.843 1.00 0.00 H new ATOM 0 HB ILE A 114 -113.332-110.214 13.618 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -111.884-110.998 15.372 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -113.502-110.600 15.912 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -115.484-111.299 14.477 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -115.234-111.580 12.737 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -114.871-112.870 13.907 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -112.633-112.549 17.110 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -114.040-113.011 16.123 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -112.396-113.415 15.574 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.038-110.740 11.281 1.00 0.00 N ATOM 1318 CA VAL A 115 -109.931-109.869 10.869 1.00 0.00 C ATOM 1319 C VAL A 115 -110.529-108.717 10.042 1.00 0.00 C ATOM 1320 O VAL A 115 -111.407-108.926 9.202 1.00 0.00 O ATOM 1321 CB VAL A 115 -108.827-110.655 10.140 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -107.836-109.773 9.351 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -108.011-111.489 11.157 1.00 0.00 C ATOM 0 H VAL A 115 -111.662-110.982 10.512 1.00 0.00 H new ATOM 0 HA VAL A 115 -109.425-109.446 11.737 1.00 0.00 H new ATOM 0 HB VAL A 115 -109.351-111.285 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.091-110.405 8.868 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.377-109.206 8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -107.339-109.084 10.034 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -107.232-112.042 10.632 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -107.553-110.824 11.889 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -108.672-112.190 11.667 1.00 0.00 H new ATOM 1333 N THR A 116 -110.045-107.460 10.272 1.00 0.00 N ATOM 1334 CA THR A 116 -110.421-106.225 9.580 1.00 0.00 C ATOM 1335 C THR A 116 -109.132-105.747 8.926 1.00 0.00 C ATOM 1336 O THR A 116 -108.079-105.711 9.562 1.00 0.00 O ATOM 1337 CB THR A 116 -111.109-105.192 10.494 1.00 0.00 C ATOM 1338 OG1 THR A 116 -111.420-103.960 9.847 1.00 0.00 O ATOM 1339 CG2 THR A 116 -110.300-104.864 11.760 1.00 0.00 C ATOM 0 H THR A 116 -109.342-107.291 10.991 1.00 0.00 H new ATOM 0 HA THR A 116 -111.195-106.391 8.831 1.00 0.00 H new ATOM 0 HB THR A 116 -112.037-105.693 10.769 1.00 0.00 H new ATOM 0 HG1 THR A 116 -111.855-103.356 10.485 1.00 0.00 H new ATOM 0 HG21 THR A 116 -110.841-104.131 12.358 1.00 0.00 H new ATOM 0 HG22 THR A 116 -110.154-105.773 12.344 1.00 0.00 H new ATOM 0 HG23 THR A 116 -109.330-104.456 11.476 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.196-105.436 7.604 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.010-105.169 6.804 1.00 0.00 C ATOM 1349 C PHE A 117 -108.206-104.351 5.518 1.00 0.00 C ATOM 1350 O PHE A 117 -109.293-104.254 4.936 1.00 0.00 O ATOM 1351 CB PHE A 117 -107.274-106.524 6.473 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.095-107.648 5.827 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -109.388-107.531 5.316 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -107.484-108.887 5.699 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.010-108.580 4.676 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.107-109.949 5.074 1.00 0.00 C ATOM 1357 CZ PHE A 117 -109.371-109.792 4.548 1.00 0.00 C ATOM 0 H PHE A 117 -110.071-105.368 7.084 1.00 0.00 H new ATOM 0 HA PHE A 117 -107.405-104.520 7.436 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -106.438-106.297 5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -106.851-106.910 7.400 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -109.914-106.594 5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -106.491-109.025 6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.004-108.451 4.273 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -107.604-110.902 4.997 1.00 0.00 H new ATOM 0 HZ PHE A 117 -109.856-110.613 4.040 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.043-103.803 5.047 1.00 0.00 N ATOM 1368 CA ILE A 118 -106.844-103.060 3.800 1.00 0.00 C ATOM 1369 C ILE A 118 -106.092-103.933 2.779 1.00 0.00 C ATOM 1370 O ILE A 118 -105.121-104.612 3.115 1.00 0.00 O ATOM 1371 CB ILE A 118 -106.120-101.705 3.978 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -104.663-101.744 4.544 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -107.019-100.769 4.813 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -104.511-102.016 6.047 1.00 0.00 C ATOM 0 H ILE A 118 -106.175-103.884 5.577 1.00 0.00 H new ATOM 0 HA ILE A 118 -107.841-102.819 3.432 1.00 0.00 H new ATOM 0 HB ILE A 118 -105.968-101.327 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -104.109-102.510 4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -104.187-100.789 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -106.520 -99.809 4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -107.966-100.617 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -107.207-101.219 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -103.454-102.017 6.311 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -105.025-101.238 6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -104.946-102.986 6.287 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.517-103.948 1.482 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.844-104.743 0.444 1.00 0.00 C ATOM 1388 C GLY A 119 -106.229-104.275 -0.933 1.00 0.00 C ATOM 1389 O GLY A 119 -106.993-103.323 -1.058 1.00 0.00 O ATOM 0 H GLY A 119 -107.320-103.417 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.764-104.668 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.106-105.795 0.560 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.717-104.939 -2.015 1.00 0.00 N ATOM 1394 CA ASP A 120 -106.006-104.567 -3.402 1.00 0.00 C ATOM 1395 C ASP A 120 -105.909-105.818 -4.301 1.00 0.00 C ATOM 1396 O ASP A 120 -104.892-106.508 -4.225 1.00 0.00 O ATOM 1397 CB ASP A 120 -105.019-103.459 -3.908 1.00 0.00 C ATOM 1398 CG ASP A 120 -105.468-102.808 -5.226 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -106.566-102.192 -5.235 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -104.717-102.924 -6.231 1.00 0.00 O ATOM 0 H ASP A 120 -105.095-105.743 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 120 -107.016-104.161 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -104.924-102.688 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -104.030-103.896 -4.044 1.00 0.00 H new ATOM 1405 N PRO A 121 -106.897-106.197 -5.144 1.00 0.00 N ATOM 1406 CA PRO A 121 -106.866-107.396 -5.985 1.00 0.00 C ATOM 1407 C PRO A 121 -106.337-107.154 -7.402 1.00 0.00 C ATOM 1408 O PRO A 121 -106.390-106.040 -7.926 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.360-107.774 -6.057 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.087-106.424 -6.078 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.203-105.534 -5.198 1.00 0.00 C ATOM 0 HA PRO A 121 -106.199-108.153 -5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.580-108.359 -6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.661-108.375 -5.199 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -109.174-106.029 -7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.098-106.506 -5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -108.116-104.532 -5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.628-105.425 -4.200 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.876-108.259 -8.053 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.473-108.327 -9.459 1.00 0.00 C ATOM 1421 C VAL A 122 -106.191-109.535 -10.080 1.00 0.00 C ATOM 1422 O VAL A 122 -106.243-110.616 -9.489 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.953-108.380 -9.695 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -103.338-107.003 -9.349 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.269-109.508 -8.891 1.00 0.00 C ATOM 0 H VAL A 122 -105.777-109.157 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 122 -105.768-107.396 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.780-108.608 -10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -102.261-107.034 -9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.781-106.237 -9.985 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -103.538-106.767 -8.304 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.198-109.501 -9.094 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.438-109.349 -7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.688-110.470 -9.185 1.00 0.00 H new ATOM 1435 N ASP A 123 -106.793-109.378 -11.296 1.00 0.00 N ATOM 1436 CA ASP A 123 -107.496-110.441 -12.031 1.00 0.00 C ATOM 1437 C ASP A 123 -106.639-111.005 -13.166 1.00 0.00 C ATOM 1438 O ASP A 123 -105.925-110.266 -13.838 1.00 0.00 O ATOM 1439 CB ASP A 123 -108.916-110.014 -12.537 1.00 0.00 C ATOM 1440 CG ASP A 123 -108.928-108.795 -13.474 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -108.628-107.668 -13.000 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -109.249-108.985 -14.678 1.00 0.00 O ATOM 0 H ASP A 123 -106.796-108.486 -11.791 1.00 0.00 H new ATOM 0 HA ASP A 123 -107.664-111.241 -11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -109.370-110.858 -13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -109.544-109.796 -11.673 1.00 0.00 H new ATOM 1520 N GLU A 129 -110.916-118.125 -14.273 1.00 0.00 N ATOM 1521 CA GLU A 129 -111.733-117.187 -13.510 1.00 0.00 C ATOM 1522 C GLU A 129 -111.219-117.028 -12.085 1.00 0.00 C ATOM 1523 O GLU A 129 -111.946-117.172 -11.110 1.00 0.00 O ATOM 1524 CB GLU A 129 -113.256-117.495 -13.574 1.00 0.00 C ATOM 1525 CG GLU A 129 -113.812-117.506 -15.013 1.00 0.00 C ATOM 1526 CD GLU A 129 -115.325-117.739 -15.030 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -115.935-117.900 -13.939 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -115.894-117.757 -16.156 1.00 0.00 O ATOM 0 HA GLU A 129 -111.625-116.219 -13.999 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -113.444-118.464 -13.111 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -113.796-116.751 -12.988 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -113.584-116.558 -15.499 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -113.316-118.287 -15.589 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.909-116.752 -11.923 1.00 0.00 N ATOM 1536 CA ILE A 130 -109.251-116.691 -10.636 1.00 0.00 C ATOM 1537 C ILE A 130 -108.813-115.277 -10.315 1.00 0.00 C ATOM 1538 O ILE A 130 -108.155-114.580 -11.099 1.00 0.00 O ATOM 1539 CB ILE A 130 -108.144-117.755 -10.579 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -107.456-117.881 -9.199 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -107.136-117.607 -11.745 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -106.679-119.196 -9.041 1.00 0.00 C ATOM 0 H ILE A 130 -109.283-116.565 -12.706 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.946-116.940 -9.834 1.00 0.00 H new ATOM 0 HB ILE A 130 -108.651-118.710 -10.717 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -106.774-117.042 -9.060 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -108.210-117.813 -8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -106.371-118.379 -11.665 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -107.660-117.713 -12.695 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -106.666-116.625 -11.697 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -106.217-119.230 -8.054 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -107.363-120.038 -9.151 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -105.905-119.255 -9.806 1.00 0.00 H new ATOM 1554 N THR A 131 -109.199-114.827 -9.091 1.00 0.00 N ATOM 1555 CA THR A 131 -108.823-113.563 -8.481 1.00 0.00 C ATOM 1556 C THR A 131 -107.847-113.928 -7.362 1.00 0.00 C ATOM 1557 O THR A 131 -108.091-114.791 -6.518 1.00 0.00 O ATOM 1558 CB THR A 131 -110.022-112.728 -8.026 1.00 0.00 C ATOM 1559 OG1 THR A 131 -111.062-113.536 -7.486 1.00 0.00 O ATOM 1560 CG2 THR A 131 -110.591-112.012 -9.267 1.00 0.00 C ATOM 0 H THR A 131 -109.811-115.378 -8.489 1.00 0.00 H new ATOM 0 HA THR A 131 -108.346-112.898 -9.201 1.00 0.00 H new ATOM 0 HB THR A 131 -109.685-112.036 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.446-113.093 -6.700 1.00 0.00 H new ATOM 0 HG21 THR A 131 -111.449-111.407 -8.976 1.00 0.00 H new ATOM 0 HG22 THR A 131 -109.824-111.370 -9.700 1.00 0.00 H new ATOM 0 HG23 THR A 131 -110.902-112.753 -10.004 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.655-113.281 -7.405 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.526-113.497 -6.522 1.00 0.00 C ATOM 1570 C ARG A 132 -105.222-112.142 -5.925 1.00 0.00 C ATOM 1571 O ARG A 132 -105.234-111.115 -6.616 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.286-114.052 -7.283 1.00 0.00 C ATOM 1573 CG ARG A 132 -104.541-115.394 -7.997 1.00 0.00 C ATOM 1574 CD ARG A 132 -103.277-115.998 -8.629 1.00 0.00 C ATOM 1575 NE ARG A 132 -103.691-117.202 -9.438 1.00 0.00 N ATOM 1576 CZ ARG A 132 -103.043-117.629 -10.567 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -101.937-116.979 -11.032 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -103.517-118.717 -11.242 1.00 0.00 N ATOM 0 H ARG A 132 -106.466-112.560 -8.101 1.00 0.00 H new ATOM 0 HA ARG A 132 -105.762-114.242 -5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -103.964-113.315 -8.019 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.465-114.177 -6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -104.956-116.104 -7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -105.292-115.247 -8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -102.780-115.264 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -102.564-116.285 -7.856 1.00 0.00 H new ATOM 0 HE ARG A 132 -104.505-117.732 -9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -101.580-116.161 -10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -101.467-117.311 -11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -104.347-119.205 -10.905 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -103.041-119.042 -12.084 1.00 0.00 H new ATOM 1592 N ILE A 133 -104.983-112.092 -4.598 1.00 0.00 N ATOM 1593 CA ILE A 133 -104.825-110.824 -3.917 1.00 0.00 C ATOM 1594 C ILE A 133 -103.864-110.992 -2.762 1.00 0.00 C ATOM 1595 O ILE A 133 -103.825-112.018 -2.079 1.00 0.00 O ATOM 1596 CB ILE A 133 -106.186-110.259 -3.477 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -106.110-109.153 -2.396 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.107-111.410 -3.059 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -107.397-108.372 -2.201 1.00 0.00 C ATOM 0 H ILE A 133 -104.899-112.912 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 133 -104.401-110.091 -4.603 1.00 0.00 H new ATOM 0 HB ILE A 133 -106.607-109.748 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -105.830-109.609 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -105.315-108.457 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.072-111.009 -2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -107.250-112.086 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -106.655-111.955 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -107.252-107.619 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -107.671-107.882 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -108.194-109.053 -1.901 1.00 0.00 H new