USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=14 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= -0.484 X(o=-0.48,f=-0.4) USER MOD Set 1.2: A 73 GLN : amide:sc= 0 X(o=-0.48,f=-0.4) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.801 K(o=-0.8,f=0) USER MOD Single : A 47 SER OG : rot -141:sc= 0.272 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 51:sc= 1.27 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.1 USER MOD Single : A 93 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.38) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 170:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 157:sc= 0 (180deg=-0.022) USER MOD Single : A 110 TYR OH : rot 72:sc= 0.0628 USER MOD Single : A 113 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0387) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 130:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -111.483-123.382 3.202 1.00 0.00 N ATOM 114 CA ASP A 41 -112.794-123.256 3.865 1.00 0.00 C ATOM 115 C ASP A 41 -113.870-122.575 3.017 1.00 0.00 C ATOM 116 O ASP A 41 -113.608-121.989 1.957 1.00 0.00 O ATOM 117 CB ASP A 41 -112.698-122.425 5.196 1.00 0.00 C ATOM 118 CG ASP A 41 -111.927-123.182 6.281 1.00 0.00 C ATOM 119 OD1 ASP A 41 -112.468-124.198 6.795 1.00 0.00 O ATOM 120 OD2 ASP A 41 -110.789-122.755 6.604 1.00 0.00 O ATOM 0 HA ASP A 41 -113.082-124.291 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -112.206-121.473 4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -113.701-122.196 5.555 1.00 0.00 H new ATOM 125 N VAL A 42 -115.133-122.621 3.551 1.00 0.00 N ATOM 126 CA VAL A 42 -116.335-121.933 3.052 1.00 0.00 C ATOM 127 C VAL A 42 -116.554-120.779 4.036 1.00 0.00 C ATOM 128 O VAL A 42 -116.770-120.986 5.225 1.00 0.00 O ATOM 129 CB VAL A 42 -117.568-122.847 3.008 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.797-122.096 2.438 1.00 0.00 C ATOM 131 CG2 VAL A 42 -117.250-124.082 2.136 1.00 0.00 C ATOM 0 H VAL A 42 -115.332-123.173 4.385 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.195-121.599 2.024 1.00 0.00 H new ATOM 0 HB VAL A 42 -117.810-123.162 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.656-122.767 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -119.023-121.236 3.069 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -118.578-121.756 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -118.121-124.736 2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -116.997-123.759 1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -116.407-124.624 2.566 1.00 0.00 H new ATOM 141 N ILE A 43 -116.444-119.515 3.573 1.00 0.00 N ATOM 142 CA ILE A 43 -116.358-118.308 4.398 1.00 0.00 C ATOM 143 C ILE A 43 -117.567-117.390 4.273 1.00 0.00 C ATOM 144 O ILE A 43 -118.314-117.452 3.299 1.00 0.00 O ATOM 145 CB ILE A 43 -115.074-117.587 3.955 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.850-118.514 4.089 1.00 0.00 C ATOM 147 CG2 ILE A 43 -114.771-116.255 4.667 1.00 0.00 C ATOM 148 CD1 ILE A 43 -113.417-119.030 2.721 1.00 0.00 C ATOM 0 H ILE A 43 -116.412-119.308 2.575 1.00 0.00 H new ATOM 0 HA ILE A 43 -116.338-118.587 5.451 1.00 0.00 H new ATOM 0 HB ILE A 43 -115.268-117.331 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.027-117.974 4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -114.092-119.354 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.844-115.836 4.276 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -115.588-115.555 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -114.666-116.430 5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.552-119.683 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -114.235-119.589 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -113.154-118.188 2.081 1.00 0.00 H new ATOM 160 N THR A 44 -117.749-116.466 5.264 1.00 0.00 N ATOM 161 CA THR A 44 -118.760-115.407 5.325 1.00 0.00 C ATOM 162 C THR A 44 -118.087-114.073 5.039 1.00 0.00 C ATOM 163 O THR A 44 -117.262-113.625 5.844 1.00 0.00 O ATOM 164 CB THR A 44 -119.427-115.280 6.703 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.689-116.561 7.250 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.770-114.538 6.564 1.00 0.00 C ATOM 0 H THR A 44 -117.146-116.455 6.086 1.00 0.00 H new ATOM 0 HA THR A 44 -119.525-115.667 4.593 1.00 0.00 H new ATOM 0 HB THR A 44 -118.750-114.731 7.357 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.112-116.461 8.128 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.240-114.450 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.595-113.543 6.155 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.426-115.095 5.895 1.00 0.00 H new ATOM 174 N PHE A 45 -118.403-113.396 3.903 1.00 0.00 N ATOM 175 CA PHE A 45 -117.785-112.107 3.569 1.00 0.00 C ATOM 176 C PHE A 45 -118.767-110.937 3.640 1.00 0.00 C ATOM 177 O PHE A 45 -119.808-110.967 2.975 1.00 0.00 O ATOM 178 CB PHE A 45 -117.266-112.190 2.121 1.00 0.00 C ATOM 179 CG PHE A 45 -116.170-113.215 2.008 1.00 0.00 C ATOM 180 CD1 PHE A 45 -114.897-112.816 2.317 1.00 0.00 C ATOM 181 CD2 PHE A 45 -116.350-114.499 1.513 1.00 0.00 C ATOM 182 CE1 PHE A 45 -113.832-113.679 2.259 1.00 0.00 C ATOM 183 CE2 PHE A 45 -115.267-115.343 1.352 1.00 0.00 C ATOM 184 CZ PHE A 45 -114.008-114.950 1.765 1.00 0.00 C ATOM 0 H PHE A 45 -119.079-113.728 3.214 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.993-111.925 4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -118.085-112.450 1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.893-111.215 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -114.726-111.792 2.615 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -117.341-114.840 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -112.858-113.361 2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -115.405-116.315 0.901 1.00 0.00 H new ATOM 0 HZ PHE A 45 -113.173-115.632 1.701 1.00 0.00 H new ATOM 194 N GLN A 46 -118.446-109.869 4.437 1.00 0.00 N ATOM 195 CA GLN A 46 -119.288-108.702 4.658 1.00 0.00 C ATOM 196 C GLN A 46 -118.568-107.390 4.301 1.00 0.00 C ATOM 197 O GLN A 46 -117.352-107.260 4.456 1.00 0.00 O ATOM 198 CB GLN A 46 -119.791-108.689 6.144 1.00 0.00 C ATOM 199 CG GLN A 46 -120.428-110.045 6.603 1.00 0.00 C ATOM 200 CD GLN A 46 -121.166-110.045 7.958 1.00 0.00 C ATOM 201 OE1 GLN A 46 -121.570-111.087 8.479 1.00 0.00 O ATOM 202 NE2 GLN A 46 -121.350-108.841 8.543 1.00 0.00 N ATOM 0 H GLN A 46 -117.564-109.819 4.947 1.00 0.00 H new ATOM 0 HA GLN A 46 -120.147-108.772 3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -118.954-108.450 6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -120.526-107.893 6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -121.130-110.368 5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -119.637-110.794 6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -121.005-107.995 8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -121.834-108.778 9.439 1.00 0.00 H new ATOM 211 N SER A 47 -119.344-106.366 3.844 1.00 0.00 N ATOM 212 CA SER A 47 -118.925-104.999 3.499 1.00 0.00 C ATOM 213 C SER A 47 -119.564-103.963 4.442 1.00 0.00 C ATOM 214 O SER A 47 -120.490-104.285 5.186 1.00 0.00 O ATOM 215 CB SER A 47 -119.282-104.676 2.019 1.00 0.00 C ATOM 216 OG SER A 47 -120.656-104.938 1.743 1.00 0.00 O ATOM 0 H SER A 47 -120.346-106.495 3.701 1.00 0.00 H new ATOM 0 HA SER A 47 -117.843-104.942 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 47 -119.061-103.629 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 47 -118.656-105.272 1.354 1.00 0.00 H new ATOM 0 HG SER A 47 -120.741-105.329 0.849 1.00 0.00 H new ATOM 222 N TYR A 48 -119.061-102.691 4.470 1.00 0.00 N ATOM 223 CA TYR A 48 -119.552-101.603 5.325 1.00 0.00 C ATOM 224 C TYR A 48 -120.464-100.677 4.522 1.00 0.00 C ATOM 225 O TYR A 48 -120.046-100.081 3.525 1.00 0.00 O ATOM 226 CB TYR A 48 -118.344-100.819 5.922 1.00 0.00 C ATOM 227 CG TYR A 48 -118.663 -99.865 7.056 1.00 0.00 C ATOM 228 CD1 TYR A 48 -119.292-100.283 8.219 1.00 0.00 C ATOM 229 CD2 TYR A 48 -118.237 -98.549 6.976 1.00 0.00 C ATOM 230 CE1 TYR A 48 -119.438 -99.423 9.290 1.00 0.00 C ATOM 231 CE2 TYR A 48 -118.380 -97.688 8.042 1.00 0.00 C ATOM 232 CZ TYR A 48 -118.961 -98.132 9.208 1.00 0.00 C ATOM 233 OH TYR A 48 -119.064 -97.273 10.320 1.00 0.00 O ATOM 0 H TYR A 48 -118.283-102.404 3.877 1.00 0.00 H new ATOM 0 HA TYR A 48 -120.133-102.020 6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.609-101.541 6.277 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.872-100.252 5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -119.672-101.292 8.288 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -117.785 -98.192 6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -119.926 -99.762 10.192 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -118.037 -96.667 7.963 1.00 0.00 H new ATOM 0 HH TYR A 48 -118.679 -96.400 10.096 1.00 0.00 H new ATOM 431 N TRP A 62 -122.380-103.678 9.279 1.00 0.00 N ATOM 432 CA TRP A 62 -121.650-104.628 8.474 1.00 0.00 C ATOM 433 C TRP A 62 -122.664-105.645 7.937 1.00 0.00 C ATOM 434 O TRP A 62 -123.289-106.392 8.693 1.00 0.00 O ATOM 435 CB TRP A 62 -120.573-105.277 9.384 1.00 0.00 C ATOM 436 CG TRP A 62 -119.415-104.336 9.689 1.00 0.00 C ATOM 437 CD1 TRP A 62 -119.075-103.592 10.788 1.00 0.00 C ATOM 438 CD2 TRP A 62 -118.380-104.105 8.731 1.00 0.00 C ATOM 439 NE1 TRP A 62 -117.892-102.933 10.561 1.00 0.00 N ATOM 440 CE2 TRP A 62 -117.452-103.259 9.314 1.00 0.00 C ATOM 441 CE3 TRP A 62 -118.218-104.577 7.472 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -116.328-102.893 8.666 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -117.070-104.209 6.801 1.00 0.00 C ATOM 444 CH2 TRP A 62 -116.123-103.391 7.399 1.00 0.00 C ATOM 0 HA TRP A 62 -121.143-104.174 7.623 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -121.036-105.592 10.319 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -120.188-106.175 8.901 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -119.652-103.533 11.699 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -117.423-102.306 11.215 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -118.957-105.216 7.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -115.611-102.230 9.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -116.906-104.564 5.794 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -115.217-103.143 6.866 1.00 0.00 H new ATOM 455 N VAL A 63 -122.886-105.646 6.600 1.00 0.00 N ATOM 456 CA VAL A 63 -123.891-106.446 5.905 1.00 0.00 C ATOM 457 C VAL A 63 -123.152-107.357 4.937 1.00 0.00 C ATOM 458 O VAL A 63 -122.073-107.005 4.471 1.00 0.00 O ATOM 459 CB VAL A 63 -124.915-105.525 5.214 1.00 0.00 C ATOM 460 CG1 VAL A 63 -125.984-106.315 4.429 1.00 0.00 C ATOM 461 CG2 VAL A 63 -125.626-104.660 6.287 1.00 0.00 C ATOM 0 H VAL A 63 -122.343-105.063 5.963 1.00 0.00 H new ATOM 0 HA VAL A 63 -124.467-107.064 6.594 1.00 0.00 H new ATOM 0 HB VAL A 63 -124.368-104.905 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -126.681-105.619 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -125.500-106.916 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -126.527-106.969 5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -126.352-104.006 5.804 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -126.138-105.309 6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -124.888-104.056 6.815 1.00 0.00 H new ATOM 471 N ASP A 64 -123.704-108.564 4.611 1.00 0.00 N ATOM 472 CA ASP A 64 -123.142-109.585 3.723 1.00 0.00 C ATOM 473 C ASP A 64 -123.004-109.157 2.255 1.00 0.00 C ATOM 474 O ASP A 64 -123.885-108.514 1.700 1.00 0.00 O ATOM 475 CB ASP A 64 -123.983-110.896 3.853 1.00 0.00 C ATOM 476 CG ASP A 64 -123.234-112.159 3.406 1.00 0.00 C ATOM 477 OD1 ASP A 64 -122.206-112.496 4.052 1.00 0.00 O ATOM 478 OD2 ASP A 64 -123.690-112.801 2.423 1.00 0.00 O ATOM 0 H ASP A 64 -124.606-108.850 4.992 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.117-109.754 4.052 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.293-111.017 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -124.891-110.794 3.259 1.00 0.00 H new ATOM 483 N GLU A 65 -121.852-109.509 1.631 1.00 0.00 N ATOM 484 CA GLU A 65 -121.435-109.242 0.266 1.00 0.00 C ATOM 485 C GLU A 65 -121.660-110.507 -0.545 1.00 0.00 C ATOM 486 O GLU A 65 -122.182-110.494 -1.659 1.00 0.00 O ATOM 487 CB GLU A 65 -119.918-108.841 0.248 1.00 0.00 C ATOM 488 CG GLU A 65 -119.354-108.349 -1.106 1.00 0.00 C ATOM 489 CD GLU A 65 -120.090-107.115 -1.621 1.00 0.00 C ATOM 490 OE1 GLU A 65 -119.964-106.037 -0.985 1.00 0.00 O ATOM 491 OE2 GLU A 65 -120.782-107.233 -2.668 1.00 0.00 O ATOM 0 H GLU A 65 -121.137-110.035 2.134 1.00 0.00 H new ATOM 0 HA GLU A 65 -122.009-108.420 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.763-108.056 0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.333-109.703 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -118.295-108.118 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.430-109.149 -1.842 1.00 0.00 H new ATOM 498 N PHE A 66 -121.227-111.647 0.040 1.00 0.00 N ATOM 499 CA PHE A 66 -121.314-112.964 -0.553 1.00 0.00 C ATOM 500 C PHE A 66 -120.913-113.895 0.577 1.00 0.00 C ATOM 501 O PHE A 66 -120.506-113.452 1.653 1.00 0.00 O ATOM 502 CB PHE A 66 -120.442-113.178 -1.866 1.00 0.00 C ATOM 503 CG PHE A 66 -118.931-113.051 -1.707 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.356-111.881 -1.273 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.082-114.113 -1.948 1.00 0.00 C ATOM 506 CE1 PHE A 66 -117.029-111.800 -0.941 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.734-114.035 -1.644 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.200-112.879 -1.107 1.00 0.00 C ATOM 0 H PHE A 66 -120.798-111.656 0.965 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.319-113.151 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.661-114.169 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.768-112.455 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.970-110.996 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.477-115.020 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.632-110.877 -0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.094-114.885 -1.828 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.159-112.827 -0.826 1.00 0.00 H new ATOM 518 N THR A 67 -120.950-115.221 0.339 1.00 0.00 N ATOM 519 CA THR A 67 -120.389-116.220 1.242 1.00 0.00 C ATOM 520 C THR A 67 -119.828-117.151 0.205 1.00 0.00 C ATOM 521 O THR A 67 -120.510-117.454 -0.768 1.00 0.00 O ATOM 522 CB THR A 67 -121.383-116.865 2.237 1.00 0.00 C ATOM 523 OG1 THR A 67 -120.857-117.998 2.934 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.709-117.276 1.569 1.00 0.00 C ATOM 0 H THR A 67 -121.376-115.622 -0.496 1.00 0.00 H new ATOM 0 HA THR A 67 -119.675-115.836 1.970 1.00 0.00 H new ATOM 0 HB THR A 67 -121.567-116.074 2.964 1.00 0.00 H new ATOM 0 HG1 THR A 67 -119.989-117.767 3.326 1.00 0.00 H new ATOM 0 HG21 THR A 67 -123.368-117.723 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 67 -123.189-116.396 1.141 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.509-118.001 0.780 1.00 0.00 H new ATOM 532 N ALA A 68 -118.567-117.586 0.334 1.00 0.00 N ATOM 533 CA ALA A 68 -117.966-118.402 -0.717 1.00 0.00 C ATOM 534 C ALA A 68 -116.790-119.234 -0.287 1.00 0.00 C ATOM 535 O ALA A 68 -116.172-119.011 0.753 1.00 0.00 O ATOM 536 CB ALA A 68 -117.607-117.625 -2.006 1.00 0.00 C ATOM 0 H ALA A 68 -117.963-117.392 1.132 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.780-119.088 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -117.166-118.308 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -118.509-117.181 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.892-116.837 -1.769 1.00 0.00 H new ATOM 542 N ALA A 69 -116.451-120.211 -1.172 1.00 0.00 N ATOM 543 CA ALA A 69 -115.310-121.103 -1.127 1.00 0.00 C ATOM 544 C ALA A 69 -114.078-120.385 -1.700 1.00 0.00 C ATOM 545 O ALA A 69 -113.992-119.998 -2.867 1.00 0.00 O ATOM 546 CB ALA A 69 -115.641-122.372 -1.944 1.00 0.00 C ATOM 0 H ALA A 69 -117.030-120.391 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.090-121.391 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.790-123.053 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.513-122.865 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.854-122.095 -2.977 1.00 0.00 H new ATOM 552 N ALA A 70 -113.087-120.158 -0.817 1.00 0.00 N ATOM 553 CA ALA A 70 -111.923-119.369 -1.185 1.00 0.00 C ATOM 554 C ALA A 70 -110.808-119.879 -0.322 1.00 0.00 C ATOM 555 O ALA A 70 -111.033-120.447 0.749 1.00 0.00 O ATOM 556 CB ALA A 70 -112.146-117.857 -0.891 1.00 0.00 C ATOM 0 H ALA A 70 -113.079-120.509 0.141 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.713-119.462 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.257-117.296 -1.178 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.002-117.498 -1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.336-117.717 0.173 1.00 0.00 H new ATOM 562 N HIS A 71 -109.536-119.622 -0.718 1.00 0.00 N ATOM 563 CA HIS A 71 -108.450-119.897 0.191 1.00 0.00 C ATOM 564 C HIS A 71 -108.058-118.517 0.677 1.00 0.00 C ATOM 565 O HIS A 71 -107.337-117.782 0.007 1.00 0.00 O ATOM 566 CB HIS A 71 -107.300-120.600 -0.584 1.00 0.00 C ATOM 567 CG HIS A 71 -106.235-121.182 0.303 1.00 0.00 C ATOM 568 ND1 HIS A 71 -105.996-122.532 0.437 1.00 0.00 N ATOM 569 CD2 HIS A 71 -105.442-120.575 1.224 1.00 0.00 C ATOM 570 CE1 HIS A 71 -105.099-122.678 1.443 1.00 0.00 C ATOM 571 NE2 HIS A 71 -104.733-121.518 1.948 1.00 0.00 N ATOM 0 H HIS A 71 -109.267-119.241 -1.625 1.00 0.00 H new ATOM 0 HA HIS A 71 -108.701-120.562 1.017 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -107.722-121.395 -1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -106.841-119.882 -1.263 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -106.415-123.280 -0.116 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -105.374-119.507 1.371 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -104.729-123.632 1.789 1.00 0.00 H new ATOM 579 N VAL A 72 -108.482-118.224 1.934 1.00 0.00 N ATOM 580 CA VAL A 72 -108.269-116.981 2.704 1.00 0.00 C ATOM 581 C VAL A 72 -107.314-117.572 3.756 1.00 0.00 C ATOM 582 O VAL A 72 -107.735-118.457 4.496 1.00 0.00 O ATOM 583 CB VAL A 72 -109.602-116.348 3.326 1.00 0.00 C ATOM 584 CG1 VAL A 72 -110.058-114.842 3.082 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.775-117.240 2.905 1.00 0.00 C ATOM 0 H VAL A 72 -109.021-118.904 2.471 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.902-116.126 2.136 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.319-116.307 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -110.993-114.655 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -109.290-114.164 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -110.204-114.674 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.703-116.838 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -110.839-117.268 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.619-118.249 3.286 1.00 0.00 H new ATOM 595 N GLN A 73 -106.010-117.164 3.828 1.00 0.00 N ATOM 596 CA GLN A 73 -105.069-117.682 4.829 1.00 0.00 C ATOM 597 C GLN A 73 -104.173-116.560 5.364 1.00 0.00 C ATOM 598 O GLN A 73 -103.779-115.672 4.600 1.00 0.00 O ATOM 599 CB GLN A 73 -104.165-118.882 4.357 1.00 0.00 C ATOM 600 CG GLN A 73 -103.148-118.630 3.209 1.00 0.00 C ATOM 601 CD GLN A 73 -101.736-119.201 3.460 1.00 0.00 C ATOM 602 OE1 GLN A 73 -100.793-118.417 3.606 1.00 0.00 O ATOM 603 NE2 GLN A 73 -101.548-120.544 3.440 1.00 0.00 N ATOM 0 H GLN A 73 -105.602-116.476 3.195 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.711-118.083 5.613 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -103.607-119.239 5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -104.824-119.693 4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -103.543-119.065 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -103.066-117.556 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -102.345-121.169 3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -100.610-120.929 3.547 1.00 0.00 H new ATOM 612 N PRO A 74 -103.833-116.486 6.688 1.00 0.00 N ATOM 613 CA PRO A 74 -102.746-115.659 7.215 1.00 0.00 C ATOM 614 C PRO A 74 -101.408-116.298 6.805 1.00 0.00 C ATOM 615 O PRO A 74 -101.258-117.515 6.917 1.00 0.00 O ATOM 616 CB PRO A 74 -102.996-115.660 8.736 1.00 0.00 C ATOM 617 CG PRO A 74 -103.649-117.015 9.036 1.00 0.00 C ATOM 618 CD PRO A 74 -104.343-117.400 7.718 1.00 0.00 C ATOM 0 HA PRO A 74 -102.710-114.636 6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -102.064-115.541 9.288 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -103.647-114.836 9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -102.907-117.759 9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -104.364-116.940 9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -104.128-118.436 7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -105.425-117.312 7.811 1.00 0.00 H new ATOM 626 N ILE A 75 -100.446-115.495 6.292 1.00 0.00 N ATOM 627 CA ILE A 75 -99.160-115.954 5.755 1.00 0.00 C ATOM 628 C ILE A 75 -98.153-116.521 6.769 1.00 0.00 C ATOM 629 O ILE A 75 -97.952-115.996 7.860 1.00 0.00 O ATOM 630 CB ILE A 75 -98.518-114.871 4.879 1.00 0.00 C ATOM 631 CG1 ILE A 75 -97.264-115.341 4.095 1.00 0.00 C ATOM 632 CG2 ILE A 75 -98.220-113.577 5.676 1.00 0.00 C ATOM 633 CD1 ILE A 75 -97.545-116.438 3.064 1.00 0.00 C ATOM 0 H ILE A 75 -100.555-114.482 6.243 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.423-116.821 5.149 1.00 0.00 H new ATOM 0 HB ILE A 75 -99.273-114.646 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -96.825-114.483 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -96.521-115.706 4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -97.766-112.839 5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -99.149-113.178 6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -97.534-113.803 6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -96.618-116.710 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -97.955-117.314 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -98.263-116.072 2.330 1.00 0.00 H new ATOM 894 N GLY A 91 -99.547-110.308 7.197 1.00 0.00 N ATOM 895 CA GLY A 91 -100.826-109.840 6.674 1.00 0.00 C ATOM 896 C GLY A 91 -101.629-111.030 6.250 1.00 0.00 C ATOM 897 O GLY A 91 -101.435-112.146 6.742 1.00 0.00 O ATOM 0 HA2 GLY A 91 -101.362-109.273 7.435 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.668-109.169 5.829 1.00 0.00 H new ATOM 901 N TYR A 92 -102.574-110.823 5.295 1.00 0.00 N ATOM 902 CA TYR A 92 -103.352-111.894 4.687 1.00 0.00 C ATOM 903 C TYR A 92 -102.881-112.149 3.273 1.00 0.00 C ATOM 904 O TYR A 92 -102.536-111.252 2.500 1.00 0.00 O ATOM 905 CB TYR A 92 -104.898-111.687 4.692 1.00 0.00 C ATOM 906 CG TYR A 92 -105.352-111.995 6.081 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.303-111.066 7.103 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.722-113.292 6.362 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.605-111.443 8.394 1.00 0.00 C ATOM 910 CE2 TYR A 92 -105.980-113.685 7.653 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.920-112.755 8.669 1.00 0.00 C ATOM 912 OH TYR A 92 -106.148-113.135 10.000 1.00 0.00 O ATOM 0 H TYR A 92 -102.806-109.897 4.935 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.172-112.760 5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.155-110.665 4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.382-112.344 3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -105.028-110.044 6.890 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -105.810-114.008 5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.595-110.711 9.188 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.228-114.714 7.870 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.361-114.091 10.035 1.00 0.00 H new ATOM 922 N ASN A 93 -102.897-113.464 2.951 1.00 0.00 N ATOM 923 CA ASN A 93 -102.577-114.050 1.665 1.00 0.00 C ATOM 924 C ASN A 93 -103.885-114.701 1.217 1.00 0.00 C ATOM 925 O ASN A 93 -104.445-115.560 1.901 1.00 0.00 O ATOM 926 CB ASN A 93 -101.475-115.120 1.919 1.00 0.00 C ATOM 927 CG ASN A 93 -100.328-114.955 0.944 1.00 0.00 C ATOM 928 OD1 ASN A 93 -99.780-113.860 0.785 1.00 0.00 O ATOM 929 ND2 ASN A 93 -99.934-116.060 0.272 1.00 0.00 N ATOM 0 H ASN A 93 -103.152-114.173 3.638 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.212-113.348 0.915 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -101.105-115.032 2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.902-116.118 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -99.161-116.005 -0.391 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -100.410-116.949 0.428 1.00 0.00 H new ATOM 936 N ILE A 94 -104.457-114.277 0.063 1.00 0.00 N ATOM 937 CA ILE A 94 -105.791-114.724 -0.328 1.00 0.00 C ATOM 938 C ILE A 94 -105.956-114.768 -1.845 1.00 0.00 C ATOM 939 O ILE A 94 -105.717-113.808 -2.579 1.00 0.00 O ATOM 940 CB ILE A 94 -106.917-113.925 0.408 1.00 0.00 C ATOM 941 CG1 ILE A 94 -108.295-113.795 -0.301 1.00 0.00 C ATOM 942 CG2 ILE A 94 -106.441-112.541 0.923 1.00 0.00 C ATOM 943 CD1 ILE A 94 -109.090-115.095 -0.380 1.00 0.00 C ATOM 0 H ILE A 94 -104.013-113.636 -0.595 1.00 0.00 H new ATOM 0 HA ILE A 94 -105.903-115.755 0.006 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.116-114.585 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.892-113.050 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -108.136-113.419 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -107.267-112.036 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -105.619-112.677 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -106.103-111.936 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -110.036-114.912 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -108.517-115.839 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -109.285-115.464 0.627 1.00 0.00 H new ATOM 955 N TYR A 95 -106.476-115.924 -2.349 1.00 0.00 N ATOM 956 CA TYR A 95 -106.919-116.144 -3.716 1.00 0.00 C ATOM 957 C TYR A 95 -108.363-116.665 -3.643 1.00 0.00 C ATOM 958 O TYR A 95 -108.769-117.377 -2.715 1.00 0.00 O ATOM 959 CB TYR A 95 -105.924-116.955 -4.619 1.00 0.00 C ATOM 960 CG TYR A 95 -106.026-118.463 -4.571 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.972-119.097 -5.352 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.210-119.237 -3.771 1.00 0.00 C ATOM 963 CE1 TYR A 95 -107.133-120.460 -5.305 1.00 0.00 C ATOM 964 CE2 TYR A 95 -105.345-120.618 -3.749 1.00 0.00 C ATOM 965 CZ TYR A 95 -106.309-121.242 -4.521 1.00 0.00 C ATOM 966 OH TYR A 95 -106.470-122.651 -4.534 1.00 0.00 O ATOM 0 H TYR A 95 -106.594-116.754 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.918-115.203 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -106.069-116.638 -5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.908-116.675 -4.340 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -107.596-118.511 -6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -104.459-118.763 -3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -107.914-120.926 -5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -104.693-121.210 -3.125 1.00 0.00 H new ATOM 0 HH TYR A 95 -105.815-123.061 -3.931 1.00 0.00 H new ATOM 976 N THR A 96 -109.172-116.284 -4.659 1.00 0.00 N ATOM 977 CA THR A 96 -110.605-116.560 -4.784 1.00 0.00 C ATOM 978 C THR A 96 -110.843-116.943 -6.236 1.00 0.00 C ATOM 979 O THR A 96 -110.064-116.504 -7.097 1.00 0.00 O ATOM 980 CB THR A 96 -111.420-115.246 -4.566 1.00 0.00 C ATOM 981 OG1 THR A 96 -110.749-114.412 -3.647 1.00 0.00 O ATOM 982 CG2 THR A 96 -112.841-115.443 -4.007 1.00 0.00 C ATOM 0 H THR A 96 -108.815-115.748 -5.450 1.00 0.00 H new ATOM 0 HA THR A 96 -110.900-117.325 -4.066 1.00 0.00 H new ATOM 0 HB THR A 96 -111.505-114.815 -5.563 1.00 0.00 H new ATOM 0 HG1 THR A 96 -111.174-113.529 -3.635 1.00 0.00 H new ATOM 0 HG21 THR A 96 -113.324-114.473 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 96 -113.421-116.058 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 96 -112.785-115.938 -3.038 1.00 0.00 H new ATOM 990 N PRO A 97 -111.879-117.737 -6.623 1.00 0.00 N ATOM 991 CA PRO A 97 -112.371-117.796 -8.012 1.00 0.00 C ATOM 992 C PRO A 97 -113.122-116.470 -8.336 1.00 0.00 C ATOM 993 O PRO A 97 -113.974-116.065 -7.552 1.00 0.00 O ATOM 994 CB PRO A 97 -113.305-119.027 -7.988 1.00 0.00 C ATOM 995 CG PRO A 97 -113.859-119.080 -6.555 1.00 0.00 C ATOM 996 CD PRO A 97 -112.695-118.545 -5.712 1.00 0.00 C ATOM 0 HA PRO A 97 -111.602-117.893 -8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -114.108-118.927 -8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -112.762-119.939 -8.235 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.752-118.465 -6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -114.133-120.095 -6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -113.060-117.945 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.113-119.362 -5.286 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.745-115.770 -9.435 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.138-114.475 -10.032 1.00 0.00 C ATOM 1006 C TYR A 98 -113.875-113.335 -9.276 1.00 0.00 C ATOM 1007 O TYR A 98 -114.446-112.421 -9.870 1.00 0.00 O ATOM 1008 CB TYR A 98 -113.770-114.720 -11.431 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.284-113.729 -12.464 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -111.972-113.752 -12.906 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -114.137-112.767 -12.968 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -111.543-112.872 -13.877 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -113.704-111.861 -13.914 1.00 0.00 C ATOM 1014 CZ TYR A 98 -112.411-111.932 -14.385 1.00 0.00 C ATOM 1015 OH TYR A 98 -111.982-111.063 -15.406 1.00 0.00 O ATOM 0 H TYR A 98 -112.025-116.185 -10.026 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.158-113.998 -10.016 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -113.533-115.731 -11.762 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -114.855-114.656 -11.353 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.278-114.466 -12.486 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -115.157-112.723 -12.617 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -110.527-112.920 -14.239 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -114.375-111.100 -14.284 1.00 0.00 H new ATOM 0 HH TYR A 98 -112.715-110.462 -15.653 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.839-113.346 -7.930 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.401-112.349 -7.031 1.00 0.00 C ATOM 1027 C ASP A 99 -113.281-111.483 -6.480 1.00 0.00 C ATOM 1028 O ASP A 99 -112.286-111.981 -5.953 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.187-112.979 -5.845 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.396-113.761 -6.365 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -117.259-113.139 -7.040 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.474-114.988 -6.087 1.00 0.00 O ATOM 0 H ASP A 99 -113.385-114.104 -7.420 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.108-111.755 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.533-113.642 -5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.518-112.196 -5.162 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.415-110.138 -6.566 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.455-109.147 -6.060 1.00 0.00 C ATOM 1039 C ASP A 100 -113.018-108.536 -4.778 1.00 0.00 C ATOM 1040 O ASP A 100 -112.919-107.337 -4.534 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.229-108.002 -7.096 1.00 0.00 C ATOM 1042 CG ASP A 100 -111.594-108.562 -8.372 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -110.395-108.944 -8.317 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -112.296-108.606 -9.417 1.00 0.00 O ATOM 0 H ASP A 100 -114.226-109.705 -7.007 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.503-109.646 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -113.179-107.524 -7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.585-107.235 -6.667 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.689-109.393 -3.970 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.510-109.034 -2.834 1.00 0.00 C ATOM 1051 C ARG A 101 -113.879-109.229 -1.458 1.00 0.00 C ATOM 1052 O ARG A 101 -113.905-108.267 -0.704 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.869-109.746 -2.988 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.563-109.514 -4.344 1.00 0.00 C ATOM 1055 CD ARG A 101 -117.905-110.252 -4.431 1.00 0.00 C ATOM 1056 NE ARG A 101 -118.492-110.044 -5.798 1.00 0.00 N ATOM 1057 CZ ARG A 101 -119.679-110.607 -6.188 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -120.395-111.389 -5.330 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -120.144-110.386 -7.452 1.00 0.00 N ATOM 0 H ARG A 101 -113.657-110.402 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 101 -114.639-107.952 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.721-110.817 -2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.533-109.409 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.725-108.446 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -115.910-109.851 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -117.762-111.316 -4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -118.589-109.881 -3.668 1.00 0.00 H new ATOM 0 HE ARG A 101 -117.986-109.460 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -120.048-111.560 -4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -121.277-111.802 -5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -119.609-109.806 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -121.027-110.801 -7.751 1.00 0.00 H new ATOM 1073 N ILE A 102 -113.255-110.417 -1.096 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.482-110.810 0.091 1.00 0.00 C ATOM 1075 C ILE A 102 -111.977-109.735 1.071 1.00 0.00 C ATOM 1076 O ILE A 102 -112.516-109.569 2.164 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.389-111.762 -0.420 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -110.888-111.506 -1.878 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -112.005-113.179 -0.426 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -110.325-110.127 -2.236 1.00 0.00 C ATOM 0 H ILE A 102 -113.309-111.207 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.183-111.283 0.779 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.531-111.617 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -110.116-112.244 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -111.720-111.707 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -111.265-113.896 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -112.312-113.447 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -112.873-113.195 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -110.023-110.118 -3.283 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -111.090-109.368 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -109.460-109.913 -1.608 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.977-108.946 0.640 1.00 0.00 N ATOM 1093 CA ASP A 103 -110.562-107.700 1.282 1.00 0.00 C ATOM 1094 C ASP A 103 -110.392-106.603 0.227 1.00 0.00 C ATOM 1095 O ASP A 103 -109.507-106.636 -0.628 1.00 0.00 O ATOM 1096 CB ASP A 103 -109.388-107.801 2.298 1.00 0.00 C ATOM 1097 CG ASP A 103 -108.068-108.341 1.749 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -108.065-109.480 1.215 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -107.042-107.625 1.898 1.00 0.00 O ATOM 0 H ASP A 103 -110.424-109.169 -0.188 1.00 0.00 H new ATOM 0 HA ASP A 103 -111.378-107.418 1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -109.207-106.809 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -109.703-108.439 3.124 1.00 0.00 H new ATOM 1104 N LYS A 104 -111.280-105.587 0.307 1.00 0.00 N ATOM 1105 CA LYS A 104 -111.383-104.419 -0.558 1.00 0.00 C ATOM 1106 C LYS A 104 -112.439-103.550 0.112 1.00 0.00 C ATOM 1107 O LYS A 104 -113.473-103.233 -0.467 1.00 0.00 O ATOM 1108 CB LYS A 104 -111.788-104.772 -2.024 1.00 0.00 C ATOM 1109 CG LYS A 104 -111.624-103.615 -3.032 1.00 0.00 C ATOM 1110 CD LYS A 104 -112.009-104.006 -4.469 1.00 0.00 C ATOM 1111 CE LYS A 104 -113.527-104.083 -4.691 1.00 0.00 C ATOM 1112 NZ LYS A 104 -113.840-104.481 -6.083 1.00 0.00 N ATOM 0 H LYS A 104 -111.992-105.573 1.038 1.00 0.00 H new ATOM 0 HA LYS A 104 -110.420-103.920 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -111.187-105.617 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -112.828-105.098 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -112.240-102.774 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -110.589-103.275 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -111.584-103.280 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -111.564-104.972 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -113.964-104.801 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -113.979-103.115 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -114.872-104.526 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -113.442-103.782 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -113.427-105.415 -6.278 1.00 0.00 H new ATOM 1126 N LYS A 105 -112.199-103.213 1.418 1.00 0.00 N ATOM 1127 CA LYS A 105 -113.067-102.511 2.385 1.00 0.00 C ATOM 1128 C LYS A 105 -114.046-103.496 3.024 1.00 0.00 C ATOM 1129 O LYS A 105 -115.262-103.420 2.834 1.00 0.00 O ATOM 1130 CB LYS A 105 -113.807-101.246 1.860 1.00 0.00 C ATOM 1131 CG LYS A 105 -112.857-100.141 1.366 1.00 0.00 C ATOM 1132 CD LYS A 105 -113.594 -98.922 0.784 1.00 0.00 C ATOM 1133 CE LYS A 105 -114.360 -98.101 1.834 1.00 0.00 C ATOM 1134 NZ LYS A 105 -115.019 -96.927 1.213 1.00 0.00 N ATOM 0 H LYS A 105 -111.306-103.454 1.848 1.00 0.00 H new ATOM 0 HA LYS A 105 -112.380-102.112 3.131 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -114.471-101.535 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -114.435-100.845 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.228 -99.815 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -112.195-100.554 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -112.871 -98.275 0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -114.294 -99.263 0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -115.108 -98.729 2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -113.673 -97.768 2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -115.529 -96.389 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -114.300 -96.318 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -115.691 -97.249 0.487 1.00 0.00 H new ATOM 1148 N MET A 106 -113.508-104.506 3.762 1.00 0.00 N ATOM 1149 CA MET A 106 -114.309-105.607 4.265 1.00 0.00 C ATOM 1150 C MET A 106 -113.965-105.963 5.696 1.00 0.00 C ATOM 1151 O MET A 106 -112.880-105.684 6.217 1.00 0.00 O ATOM 1152 CB MET A 106 -114.105-106.896 3.412 1.00 0.00 C ATOM 1153 CG MET A 106 -114.470-106.762 1.917 1.00 0.00 C ATOM 1154 SD MET A 106 -116.238-106.718 1.498 1.00 0.00 S ATOM 1155 CE MET A 106 -116.106-105.760 -0.042 1.00 0.00 C ATOM 0 H MET A 106 -112.520-104.561 4.010 1.00 0.00 H new ATOM 0 HA MET A 106 -115.342-105.263 4.207 1.00 0.00 H new ATOM 0 HB2 MET A 106 -113.061-107.201 3.488 1.00 0.00 H new ATOM 0 HB3 MET A 106 -114.704-107.697 3.845 1.00 0.00 H new ATOM 0 HG2 MET A 106 -114.009-105.850 1.537 1.00 0.00 H new ATOM 0 HG3 MET A 106 -114.016-107.596 1.382 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.977-105.955 -0.668 1.00 0.00 H new ATOM 0 HE2 MET A 106 -116.059-104.697 0.194 1.00 0.00 H new ATOM 0 HE3 MET A 106 -115.202-106.053 -0.577 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.935-106.704 6.288 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.897-107.371 7.577 1.00 0.00 C ATOM 1167 C ARG A 107 -115.365-108.759 7.219 1.00 0.00 C ATOM 1168 O ARG A 107 -116.417-108.953 6.605 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.810-106.741 8.656 1.00 0.00 C ATOM 1170 CG ARG A 107 -115.802-107.410 10.045 1.00 0.00 C ATOM 1171 CD ARG A 107 -116.745-106.680 11.013 1.00 0.00 C ATOM 1172 NE ARG A 107 -116.752-107.402 12.330 1.00 0.00 N ATOM 1173 CZ ARG A 107 -117.634-107.108 13.337 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -118.562-106.119 13.191 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -117.583-107.820 14.502 1.00 0.00 N ATOM 0 H ARG A 107 -115.831-106.851 5.822 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.909-107.313 8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.521-105.697 8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.834-106.746 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -116.106-108.453 9.952 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -114.789-107.408 10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -116.418-105.649 11.151 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -117.753-106.642 10.599 1.00 0.00 H new ATOM 0 HE ARG A 107 -116.070-108.145 12.482 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -118.607-105.586 12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -119.211-105.913 13.950 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -116.893-108.562 14.616 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -118.235-107.609 15.258 1.00 0.00 H new ATOM 1189 N VAL A 108 -114.537-109.775 7.543 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.808-111.155 7.191 1.00 0.00 C ATOM 1191 C VAL A 108 -114.701-112.002 8.431 1.00 0.00 C ATOM 1192 O VAL A 108 -113.924-111.738 9.362 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.878-111.714 6.097 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -113.931-110.779 4.875 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -112.412-111.894 6.552 1.00 0.00 C ATOM 0 H VAL A 108 -113.665-109.645 8.056 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.815-111.186 6.774 1.00 0.00 H new ATOM 0 HB VAL A 108 -114.241-112.712 5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -113.276-111.164 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -114.953-110.728 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -113.601-109.782 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -111.821-112.291 5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -112.005-110.930 6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -112.374-112.588 7.392 1.00 0.00 H new ATOM 1205 N ILE A 109 -115.459-113.124 8.401 1.00 0.00 N ATOM 1206 CA ILE A 109 -115.338-114.191 9.360 1.00 0.00 C ATOM 1207 C ILE A 109 -114.913-115.348 8.460 1.00 0.00 C ATOM 1208 O ILE A 109 -115.735-115.911 7.735 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.668-114.456 10.097 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -117.165-113.161 10.810 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.479-115.622 11.100 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.568-113.248 11.422 1.00 0.00 C ATOM 0 H ILE A 109 -116.173-113.293 7.693 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.640-113.994 10.174 1.00 0.00 H new ATOM 0 HB ILE A 109 -117.433-114.743 9.376 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.457-112.906 11.599 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -117.150-112.342 10.091 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.418-115.810 11.621 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -116.177-116.520 10.561 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.709-115.357 11.824 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -118.819-112.298 11.893 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -119.294-113.468 10.639 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.590-114.041 12.170 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.611-115.734 8.536 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.996-116.859 7.868 1.00 0.00 C ATOM 1226 C TYR A 110 -112.659-117.815 9.011 1.00 0.00 C ATOM 1227 O TYR A 110 -112.001-117.420 9.973 1.00 0.00 O ATOM 1228 CB TYR A 110 -111.805-116.326 6.992 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.602-117.229 6.934 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -110.702-118.490 6.380 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.450-116.870 7.610 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.661-119.380 6.513 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -108.407-117.757 7.736 1.00 0.00 C ATOM 1234 CZ TYR A 110 -108.504-119.004 7.166 1.00 0.00 C ATOM 1235 OH TYR A 110 -107.357-119.814 7.087 1.00 0.00 O ATOM 0 H TYR A 110 -112.941-115.220 9.108 1.00 0.00 H new ATOM 0 HA TYR A 110 -113.607-117.402 7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -112.166-116.162 5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -111.494-115.356 7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -111.595-118.777 5.844 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -109.369-115.884 8.043 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -109.749-120.376 6.105 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -107.517-117.476 8.279 1.00 0.00 H new ATOM 0 HH TYR A 110 -106.970-119.747 6.189 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.145-119.091 8.936 1.00 0.00 N ATOM 1246 CA ARG A 111 -112.950-120.210 9.881 1.00 0.00 C ATOM 1247 C ARG A 111 -113.186-119.923 11.381 1.00 0.00 C ATOM 1248 O ARG A 111 -112.549-120.471 12.276 1.00 0.00 O ATOM 1249 CB ARG A 111 -111.539-120.825 9.640 1.00 0.00 C ATOM 1250 CG ARG A 111 -111.361-122.302 10.039 1.00 0.00 C ATOM 1251 CD ARG A 111 -109.924-122.784 9.787 1.00 0.00 C ATOM 1252 NE ARG A 111 -109.885-124.284 9.919 1.00 0.00 N ATOM 1253 CZ ARG A 111 -108.920-125.067 9.342 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -107.916-124.514 8.602 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -108.967-126.421 9.508 1.00 0.00 N ATOM 0 H ARG A 111 -113.727-119.374 8.148 1.00 0.00 H new ATOM 0 HA ARG A 111 -113.749-120.916 9.654 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -111.299-120.725 8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -110.809-120.232 10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -111.608-122.428 11.093 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -112.058-122.920 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -109.594-122.484 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -109.241-122.324 10.501 1.00 0.00 H new ATOM 0 HE ARG A 111 -110.615-124.740 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -107.876-123.503 8.471 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -107.205-125.111 8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -109.716-126.842 10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -108.253-127.012 9.082 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.135-118.993 11.666 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.468-118.478 12.993 1.00 0.00 C ATOM 1271 C GLY A 112 -113.613-117.332 13.505 1.00 0.00 C ATOM 1272 O GLY A 112 -113.709-116.992 14.679 1.00 0.00 O ATOM 0 H GLY A 112 -114.707-118.572 10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.508-118.151 12.982 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -114.400-119.300 13.706 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.746-116.702 12.666 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.864-115.606 13.062 1.00 0.00 C ATOM 1278 C LYS A 113 -112.341-114.320 12.412 1.00 0.00 C ATOM 1279 O LYS A 113 -112.513-114.265 11.190 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.391-115.904 12.667 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.353-114.892 13.199 1.00 0.00 C ATOM 1282 CD LYS A 113 -107.919-115.181 12.720 1.00 0.00 C ATOM 1283 CE LYS A 113 -107.304-116.491 13.241 1.00 0.00 C ATOM 1284 NZ LYS A 113 -107.198-116.491 14.720 1.00 0.00 N ATOM 0 H LYS A 113 -112.651-116.957 11.683 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.898-115.499 14.146 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.127-116.897 13.031 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -110.322-115.934 11.580 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -109.639-113.889 12.883 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -109.373-114.901 14.289 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -107.915-115.205 11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -107.278-114.353 13.022 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -107.915-117.334 12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -106.315-116.629 12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -106.718-117.359 15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -106.651-115.662 15.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -108.150-116.453 15.136 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.562-113.250 13.238 1.00 0.00 N ATOM 1299 CA ILE A 114 -113.036-111.940 12.795 1.00 0.00 C ATOM 1300 C ILE A 114 -111.859-110.976 12.645 1.00 0.00 C ATOM 1301 O ILE A 114 -111.156-110.670 13.608 1.00 0.00 O ATOM 1302 CB ILE A 114 -114.111-111.335 13.716 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -115.056-112.435 14.272 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -114.891-110.257 12.919 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -116.192-111.898 15.148 1.00 0.00 C ATOM 0 H ILE A 114 -112.406-113.297 14.245 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.513-112.094 11.827 1.00 0.00 H new ATOM 0 HB ILE A 114 -113.638-110.869 14.580 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -115.486-112.987 13.436 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -114.468-113.145 14.853 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -115.658-109.817 13.557 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -114.202-109.479 12.590 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -115.362-110.717 12.050 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -116.806-112.728 15.497 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -115.773-111.372 16.006 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -116.807-111.211 14.566 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.627-110.480 11.401 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.591-109.502 11.047 1.00 0.00 C ATOM 1319 C VAL A 115 -111.207-108.381 10.204 1.00 0.00 C ATOM 1320 O VAL A 115 -112.183-108.602 9.485 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.364-110.108 10.336 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.595-110.998 11.332 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -109.754-110.906 9.071 1.00 0.00 C ATOM 0 H VAL A 115 -112.182-110.768 10.595 1.00 0.00 H new ATOM 0 HA VAL A 115 -110.210-109.102 11.987 1.00 0.00 H new ATOM 0 HB VAL A 115 -108.725-109.292 10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.726-111.431 10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.268-110.396 12.180 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -109.247-111.797 11.684 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.856-111.313 8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -110.421-111.723 9.347 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -110.260-110.246 8.366 1.00 0.00 H new ATOM 1333 N THR A 116 -110.619-107.147 10.253 1.00 0.00 N ATOM 1334 CA THR A 116 -110.998-105.956 9.475 1.00 0.00 C ATOM 1335 C THR A 116 -109.734-105.531 8.734 1.00 0.00 C ATOM 1336 O THR A 116 -108.643-105.518 9.304 1.00 0.00 O ATOM 1337 CB THR A 116 -111.655-104.823 10.293 1.00 0.00 C ATOM 1338 OG1 THR A 116 -111.964-103.662 9.516 1.00 0.00 O ATOM 1339 CG2 THR A 116 -110.809-104.380 11.501 1.00 0.00 C ATOM 0 H THR A 116 -109.830-106.962 10.872 1.00 0.00 H new ATOM 0 HA THR A 116 -111.800-106.203 8.780 1.00 0.00 H new ATOM 0 HB THR A 116 -112.584-105.270 10.646 1.00 0.00 H new ATOM 0 HG1 THR A 116 -112.378-102.985 10.091 1.00 0.00 H new ATOM 0 HG21 THR A 116 -111.326-103.582 12.034 1.00 0.00 H new ATOM 0 HG22 THR A 116 -110.660-105.227 12.171 1.00 0.00 H new ATOM 0 HG23 THR A 116 -109.841-104.017 11.154 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.873-105.237 7.419 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.757-104.991 6.520 1.00 0.00 C ATOM 1349 C PHE A 117 -109.215-104.435 5.171 1.00 0.00 C ATOM 1350 O PHE A 117 -110.365-104.601 4.760 1.00 0.00 O ATOM 1351 CB PHE A 117 -107.887-106.285 6.304 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.600-107.600 5.970 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -109.970-107.799 5.773 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -107.779-108.706 5.847 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.477-109.047 5.488 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.288-109.951 5.545 1.00 0.00 C ATOM 1357 CZ PHE A 117 -109.637-110.129 5.364 1.00 0.00 C ATOM 0 H PHE A 117 -110.782-105.167 6.962 1.00 0.00 H new ATOM 0 HA PHE A 117 -108.138-104.235 7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -107.180-106.078 5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.302-106.446 7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.643-106.958 5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -106.715-108.592 5.991 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.542-109.177 5.361 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -107.619-110.794 5.450 1.00 0.00 H new ATOM 0 HZ PHE A 117 -110.033-111.105 5.127 1.00 0.00 H new ATOM 1367 N ILE A 118 -108.283-103.787 4.420 1.00 0.00 N ATOM 1368 CA ILE A 118 -108.566-103.261 3.084 1.00 0.00 C ATOM 1369 C ILE A 118 -107.445-103.691 2.151 1.00 0.00 C ATOM 1370 O ILE A 118 -106.272-103.566 2.487 1.00 0.00 O ATOM 1371 CB ILE A 118 -108.828-101.744 3.106 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -109.251-101.135 1.736 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -107.690-100.965 3.811 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -108.131-100.557 0.859 1.00 0.00 C ATOM 0 H ILE A 118 -107.326-103.623 4.733 1.00 0.00 H new ATOM 0 HA ILE A 118 -109.496-103.681 2.700 1.00 0.00 H new ATOM 0 HB ILE A 118 -109.718-101.616 3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -109.765-101.908 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -109.976-100.344 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -107.919 -99.899 3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -107.599-101.308 4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -106.751-101.139 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -108.557-100.166 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -107.627 -99.753 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -107.412-101.342 0.623 1.00 0.00 H new ATOM 1386 N GLY A 119 -107.779-104.228 0.943 1.00 0.00 N ATOM 1387 CA GLY A 119 -106.808-104.687 -0.058 1.00 0.00 C ATOM 1388 C GLY A 119 -107.088-104.138 -1.441 1.00 0.00 C ATOM 1389 O GLY A 119 -107.984-103.322 -1.631 1.00 0.00 O ATOM 0 H GLY A 119 -108.747-104.350 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -105.806-104.388 0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.819-105.776 -0.095 1.00 0.00 H new ATOM 1393 N ASP A 120 -106.310-104.603 -2.455 1.00 0.00 N ATOM 1394 CA ASP A 120 -106.401-104.237 -3.874 1.00 0.00 C ATOM 1395 C ASP A 120 -106.317-105.509 -4.750 1.00 0.00 C ATOM 1396 O ASP A 120 -105.225-105.865 -5.194 1.00 0.00 O ATOM 1397 CB ASP A 120 -105.350-103.150 -4.294 1.00 0.00 C ATOM 1398 CG ASP A 120 -103.890-103.461 -3.914 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -103.570-103.459 -2.696 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -103.075-103.684 -4.849 1.00 0.00 O ATOM 0 H ASP A 120 -105.566-105.279 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 120 -107.372-103.769 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -105.405-103.014 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -105.632-102.201 -3.838 1.00 0.00 H new ATOM 1405 N PRO A 121 -107.412-106.266 -5.004 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.388-107.583 -5.671 1.00 0.00 C ATOM 1407 C PRO A 121 -107.180-107.539 -7.189 1.00 0.00 C ATOM 1408 O PRO A 121 -107.822-106.748 -7.878 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.759-108.201 -5.291 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.235-107.398 -4.080 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.722-106.008 -4.409 1.00 0.00 C ATOM 0 HA PRO A 121 -106.530-108.169 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -109.467-108.127 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.661-109.259 -5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -110.320-107.420 -3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -108.818-107.778 -3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -109.384-105.489 -5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.643-105.386 -3.517 1.00 0.00 H new ATOM 1419 N VAL A 122 -106.284-108.395 -7.745 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.967-108.461 -9.174 1.00 0.00 C ATOM 1421 C VAL A 122 -106.360-109.810 -9.766 1.00 0.00 C ATOM 1422 O VAL A 122 -106.154-110.860 -9.160 1.00 0.00 O ATOM 1423 CB VAL A 122 -104.493-108.100 -9.431 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -103.495-109.120 -8.836 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -104.232-107.854 -10.935 1.00 0.00 C ATOM 0 H VAL A 122 -105.756-109.069 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 122 -106.565-107.712 -9.694 1.00 0.00 H new ATOM 0 HB VAL A 122 -104.311-107.167 -8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -102.476-108.802 -9.055 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.633-109.177 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -103.672-110.101 -9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -103.183-107.601 -11.086 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -104.472-108.756 -11.498 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -104.857-107.032 -11.283 1.00 0.00 H new ATOM 1435 N ASP A 123 -106.935-109.816 -11.002 1.00 0.00 N ATOM 1436 CA ASP A 123 -107.352-110.985 -11.778 1.00 0.00 C ATOM 1437 C ASP A 123 -106.219-111.531 -12.638 1.00 0.00 C ATOM 1438 O ASP A 123 -105.311-110.794 -13.016 1.00 0.00 O ATOM 1439 CB ASP A 123 -108.623-110.711 -12.657 1.00 0.00 C ATOM 1440 CG ASP A 123 -108.479-109.577 -13.689 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -108.335-108.397 -13.270 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -108.526-109.886 -14.909 1.00 0.00 O ATOM 0 H ASP A 123 -107.124-108.945 -11.499 1.00 0.00 H new ATOM 0 HA ASP A 123 -107.622-111.744 -11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -108.884-111.629 -13.184 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -109.457-110.475 -11.996 1.00 0.00 H new ATOM 1520 N GLU A 129 -110.184-118.256 -14.462 1.00 0.00 N ATOM 1521 CA GLU A 129 -111.008-117.403 -13.607 1.00 0.00 C ATOM 1522 C GLU A 129 -110.619-117.289 -12.132 1.00 0.00 C ATOM 1523 O GLU A 129 -111.383-117.575 -11.216 1.00 0.00 O ATOM 1524 CB GLU A 129 -112.488-117.858 -13.752 1.00 0.00 C ATOM 1525 CG GLU A 129 -113.004-117.876 -15.207 1.00 0.00 C ATOM 1526 CD GLU A 129 -112.923-116.478 -15.820 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -113.630-115.565 -15.314 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -112.154-116.305 -16.803 1.00 0.00 O ATOM 0 HA GLU A 129 -110.839-116.389 -13.969 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -112.593-118.857 -13.329 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -113.120-117.194 -13.162 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -112.414-118.575 -15.800 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -114.035-118.230 -15.229 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.373-116.812 -11.892 1.00 0.00 N ATOM 1536 CA ILE A 130 -108.738-116.603 -10.603 1.00 0.00 C ATOM 1537 C ILE A 130 -108.439-115.126 -10.391 1.00 0.00 C ATOM 1538 O ILE A 130 -107.781-114.480 -11.217 1.00 0.00 O ATOM 1539 CB ILE A 130 -107.425-117.408 -10.511 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -107.710-118.923 -10.705 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -106.694-117.140 -9.173 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -106.450-119.796 -10.741 1.00 0.00 C ATOM 0 H ILE A 130 -108.756-116.550 -12.661 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.424-116.946 -9.829 1.00 0.00 H new ATOM 0 HB ILE A 130 -106.763-117.078 -11.312 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -108.355-119.267 -9.896 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -108.262-119.062 -11.634 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -105.773-117.722 -9.139 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -106.456-116.079 -9.094 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -107.337-117.430 -8.342 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -106.734-120.839 -10.879 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -105.813-119.481 -11.567 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -105.906-119.689 -9.802 1.00 0.00 H new ATOM 1554 N THR A 131 -108.867-114.610 -9.198 1.00 0.00 N ATOM 1555 CA THR A 131 -108.559-113.290 -8.638 1.00 0.00 C ATOM 1556 C THR A 131 -107.705-113.499 -7.390 1.00 0.00 C ATOM 1557 O THR A 131 -108.036-114.290 -6.506 1.00 0.00 O ATOM 1558 CB THR A 131 -109.795-112.467 -8.289 1.00 0.00 C ATOM 1559 OG1 THR A 131 -110.807-113.281 -7.712 1.00 0.00 O ATOM 1560 CG2 THR A 131 -110.366-111.878 -9.585 1.00 0.00 C ATOM 0 H THR A 131 -109.471-115.150 -8.579 1.00 0.00 H new ATOM 0 HA THR A 131 -108.030-112.719 -9.401 1.00 0.00 H new ATOM 0 HB THR A 131 -109.504-111.693 -7.579 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.130-112.865 -6.885 1.00 0.00 H new ATOM 0 HG21 THR A 131 -111.252-111.285 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 131 -109.616-111.243 -10.057 1.00 0.00 H new ATOM 0 HG23 THR A 131 -110.636-112.687 -10.264 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.546-112.802 -7.288 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.601-112.941 -6.192 1.00 0.00 C ATOM 1570 C ARG A 132 -105.322-111.611 -5.526 1.00 0.00 C ATOM 1571 O ARG A 132 -105.139-110.578 -6.175 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.286-113.606 -6.676 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.314-114.002 -5.544 1.00 0.00 C ATOM 1574 CD ARG A 132 -102.128-114.839 -6.047 1.00 0.00 C ATOM 1575 NE ARG A 132 -101.204-115.137 -4.894 1.00 0.00 N ATOM 1576 CZ ARG A 132 -101.290-116.252 -4.102 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -102.234-117.211 -4.325 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -100.409-116.406 -3.069 1.00 0.00 N ATOM 0 H ARG A 132 -106.252-112.119 -7.987 1.00 0.00 H new ATOM 0 HA ARG A 132 -106.057-113.592 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -104.535-114.497 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.775-112.921 -7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -102.938-113.100 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -103.856-114.567 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -102.486-115.768 -6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -101.592-114.299 -6.827 1.00 0.00 H new ATOM 0 HE ARG A 132 -100.465-114.464 -4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -102.895-117.107 -5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -102.279-118.033 -3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -99.698-115.696 -2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -100.462-117.231 -2.472 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.263-111.599 -4.176 1.00 0.00 N ATOM 1593 CA ILE A 133 -104.914-110.422 -3.403 1.00 0.00 C ATOM 1594 C ILE A 133 -103.817-110.850 -2.439 1.00 0.00 C ATOM 1595 O ILE A 133 -103.958-111.774 -1.633 1.00 0.00 O ATOM 1596 CB ILE A 133 -106.141-109.768 -2.752 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -105.889-108.471 -1.923 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.033-110.798 -2.048 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -105.300-108.625 -0.518 1.00 0.00 C ATOM 0 H ILE A 133 -105.460-112.420 -3.603 1.00 0.00 H new ATOM 0 HA ILE A 133 -104.530-109.620 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 133 -106.706-109.372 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -105.220-107.831 -2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -106.838-107.942 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -107.889-110.293 -1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -107.383-111.532 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -106.462-111.302 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -105.181-107.641 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -105.971-109.228 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -104.329-109.115 -0.582 1.00 0.00 H new