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= 0.139 X(o=0.28,f=-0.0075) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.14 X(o=0.28,f=-0.002) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.3) 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 3:sc= 0.0833 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.475 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 -164:sc= 0 (180deg=-0.0491) USER MOD Single : A 110 TYR OH : rot -106:sc= 1.43 USER MOD Single : A 113 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0792) USER MOD Single : A 116 THR OG1 : rot 51:sc= 1.23 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -112.683-123.864 0.955 1.00 0.00 N ATOM 114 CA ASP A 41 -113.623-124.003 2.058 1.00 0.00 C ATOM 115 C ASP A 41 -114.596-122.860 1.836 1.00 0.00 C ATOM 116 O ASP A 41 -114.308-121.973 1.030 1.00 0.00 O ATOM 117 CB ASP A 41 -112.927-123.923 3.453 1.00 0.00 C ATOM 118 CG ASP A 41 -113.863-124.340 4.596 1.00 0.00 C ATOM 119 OD1 ASP A 41 -114.230-125.543 4.653 1.00 0.00 O ATOM 120 OD2 ASP A 41 -114.230-123.454 5.413 1.00 0.00 O ATOM 0 HA ASP A 41 -114.111-124.978 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -112.047-124.566 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.579-122.905 3.625 1.00 0.00 H new ATOM 125 N VAL A 42 -115.748-122.817 2.567 1.00 0.00 N ATOM 126 CA VAL A 42 -116.771-121.784 2.421 1.00 0.00 C ATOM 127 C VAL A 42 -116.515-120.740 3.493 1.00 0.00 C ATOM 128 O VAL A 42 -116.565-121.000 4.693 1.00 0.00 O ATOM 129 CB VAL A 42 -118.187-122.374 2.539 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.606-122.880 1.144 1.00 0.00 C ATOM 131 CG2 VAL A 42 -118.258-123.518 3.585 1.00 0.00 C ATOM 0 H VAL A 42 -115.977-123.514 3.276 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.713-121.332 1.431 1.00 0.00 H new ATOM 0 HB VAL A 42 -118.871-121.600 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.608-123.305 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -118.601-122.049 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -117.905-123.645 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -119.276-123.904 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -117.580-124.320 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -117.968-123.135 4.563 1.00 0.00 H new ATOM 141 N ILE A 43 -116.170-119.508 3.037 1.00 0.00 N ATOM 142 CA ILE A 43 -115.744-118.372 3.841 1.00 0.00 C ATOM 143 C ILE A 43 -116.846-117.325 3.748 1.00 0.00 C ATOM 144 O ILE A 43 -117.428-117.160 2.678 1.00 0.00 O ATOM 145 CB ILE A 43 -114.386-117.874 3.320 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.338-119.025 3.205 1.00 0.00 C ATOM 147 CG2 ILE A 43 -113.863-116.711 4.186 1.00 0.00 C ATOM 148 CD1 ILE A 43 -112.979-119.757 4.507 1.00 0.00 C ATOM 0 H ILE A 43 -116.188-119.286 2.042 1.00 0.00 H new ATOM 0 HA ILE A 43 -115.597-118.627 4.891 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.542-117.499 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.715-119.760 2.493 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -112.422-118.612 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -112.901-116.374 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -114.575-115.886 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -113.742-117.049 5.215 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.243-120.533 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.563-119.046 5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -113.876-120.212 4.928 1.00 0.00 H new ATOM 160 N THR A 44 -117.183-116.605 4.862 1.00 0.00 N ATOM 161 CA THR A 44 -118.307-115.649 4.909 1.00 0.00 C ATOM 162 C THR A 44 -117.799-114.218 4.894 1.00 0.00 C ATOM 163 O THR A 44 -117.048-113.833 5.793 1.00 0.00 O ATOM 164 CB THR A 44 -119.182-115.864 6.154 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.683-117.192 6.181 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.425-114.954 6.182 1.00 0.00 C ATOM 0 H THR A 44 -116.677-116.680 5.744 1.00 0.00 H new ATOM 0 HA THR A 44 -118.915-115.828 4.022 1.00 0.00 H new ATOM 0 HB THR A 44 -118.535-115.639 7.002 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.237-117.316 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.002-115.153 7.085 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.112-113.910 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.042-115.154 5.306 1.00 0.00 H new ATOM 174 N PHE A 45 -118.192-113.390 3.886 1.00 0.00 N ATOM 175 CA PHE A 45 -117.756-111.982 3.766 1.00 0.00 C ATOM 176 C PHE A 45 -118.842-110.905 3.957 1.00 0.00 C ATOM 177 O PHE A 45 -119.914-111.015 3.350 1.00 0.00 O ATOM 178 CB PHE A 45 -117.180-111.767 2.345 1.00 0.00 C ATOM 179 CG PHE A 45 -115.899-112.531 2.207 1.00 0.00 C ATOM 180 CD1 PHE A 45 -114.732-111.951 2.659 1.00 0.00 C ATOM 181 CD2 PHE A 45 -115.850-113.781 1.604 1.00 0.00 C ATOM 182 CE1 PHE A 45 -113.539-112.616 2.515 1.00 0.00 C ATOM 183 CE2 PHE A 45 -114.659-114.461 1.473 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.512-113.868 1.941 1.00 0.00 C ATOM 0 H PHE A 45 -118.819-113.686 3.138 1.00 0.00 H new ATOM 0 HA PHE A 45 -117.041-111.851 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.898-112.100 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -117.004-110.706 2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -114.756-110.977 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -116.760-114.227 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -112.621-112.157 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -114.628-115.438 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 45 -112.572-114.393 1.857 1.00 0.00 H new ATOM 194 N GLN A 46 -118.511-109.816 4.745 1.00 0.00 N ATOM 195 CA GLN A 46 -119.328-108.645 5.054 1.00 0.00 C ATOM 196 C GLN A 46 -118.670-107.336 4.617 1.00 0.00 C ATOM 197 O GLN A 46 -117.446-107.231 4.598 1.00 0.00 O ATOM 198 CB GLN A 46 -119.476-108.432 6.591 1.00 0.00 C ATOM 199 CG GLN A 46 -120.210-109.524 7.376 1.00 0.00 C ATOM 200 CD GLN A 46 -120.556-108.881 8.720 1.00 0.00 C ATOM 201 OE1 GLN A 46 -119.712-108.287 9.396 1.00 0.00 O ATOM 202 NE2 GLN A 46 -121.857-108.934 9.078 1.00 0.00 N ATOM 0 H GLN A 46 -117.598-109.760 5.196 1.00 0.00 H new ATOM 0 HA GLN A 46 -120.268-108.846 4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -118.478-108.322 7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -119.998-107.489 6.754 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -121.108-109.851 6.852 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -119.581-110.404 7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -122.527-109.435 8.494 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -122.170-108.473 9.933 1.00 0.00 H new ATOM 211 N SER A 47 -119.477-106.275 4.351 1.00 0.00 N ATOM 212 CA SER A 47 -119.003-104.926 4.020 1.00 0.00 C ATOM 213 C SER A 47 -119.590-103.898 4.990 1.00 0.00 C ATOM 214 O SER A 47 -120.594-104.170 5.640 1.00 0.00 O ATOM 215 CB SER A 47 -119.383-104.568 2.552 1.00 0.00 C ATOM 216 OG SER A 47 -120.788-104.664 2.309 1.00 0.00 O ATOM 0 H SER A 47 -120.494-106.347 4.364 1.00 0.00 H new ATOM 0 HA SER A 47 -117.917-104.906 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 47 -119.048-103.555 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 47 -118.854-105.234 1.871 1.00 0.00 H new ATOM 0 HG SER A 47 -120.976-104.429 1.376 1.00 0.00 H new ATOM 222 N TYR A 48 -119.010-102.670 5.091 1.00 0.00 N ATOM 223 CA TYR A 48 -119.469-101.589 5.955 1.00 0.00 C ATOM 224 C TYR A 48 -120.146-100.579 5.026 1.00 0.00 C ATOM 225 O TYR A 48 -119.510-100.058 4.109 1.00 0.00 O ATOM 226 CB TYR A 48 -118.171-101.048 6.626 1.00 0.00 C ATOM 227 CG TYR A 48 -118.302-100.348 7.946 1.00 0.00 C ATOM 228 CD1 TYR A 48 -119.255-100.677 8.892 1.00 0.00 C ATOM 229 CD2 TYR A 48 -117.324 -99.430 8.287 1.00 0.00 C ATOM 230 CE1 TYR A 48 -119.252-100.068 10.134 1.00 0.00 C ATOM 231 CE2 TYR A 48 -117.308 -98.833 9.529 1.00 0.00 C ATOM 232 CZ TYR A 48 -118.277 -99.151 10.452 1.00 0.00 C ATOM 233 OH TYR A 48 -118.270 -98.552 11.724 1.00 0.00 O ATOM 0 H TYR A 48 -118.185-102.415 4.548 1.00 0.00 H new ATOM 0 HA TYR A 48 -120.183-101.858 6.733 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.489-101.888 6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.696-100.359 5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -120.008-101.416 8.659 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.560 -99.177 7.567 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -120.017-100.313 10.856 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -116.537 -98.118 9.777 1.00 0.00 H new ATOM 0 HH TYR A 48 -117.516 -97.929 11.788 1.00 0.00 H new ATOM 431 N TRP A 62 -122.612-103.290 9.108 1.00 0.00 N ATOM 432 CA TRP A 62 -122.005-104.512 8.602 1.00 0.00 C ATOM 433 C TRP A 62 -123.031-105.558 8.133 1.00 0.00 C ATOM 434 O TRP A 62 -123.754-106.131 8.944 1.00 0.00 O ATOM 435 CB TRP A 62 -121.183-105.142 9.760 1.00 0.00 C ATOM 436 CG TRP A 62 -119.985-104.322 10.189 1.00 0.00 C ATOM 437 CD1 TRP A 62 -119.776-103.568 11.308 1.00 0.00 C ATOM 438 CD2 TRP A 62 -118.779-104.235 9.418 1.00 0.00 C ATOM 439 NE1 TRP A 62 -118.534-103.003 11.265 1.00 0.00 N ATOM 440 CE2 TRP A 62 -117.911-103.413 10.120 1.00 0.00 C ATOM 441 CE3 TRP A 62 -118.422-104.793 8.224 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -116.677-103.132 9.653 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -117.166-104.496 7.737 1.00 0.00 C ATOM 444 CH2 TRP A 62 -116.300-103.683 8.447 1.00 0.00 C ATOM 0 HA TRP A 62 -121.397-104.243 7.738 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -121.838-105.285 10.620 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -120.841-106.130 9.452 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -120.488-103.438 12.109 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -118.138-102.380 11.969 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -119.096-105.441 7.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -116.004-102.494 10.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -116.854-104.904 6.787 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -115.316-103.478 8.051 1.00 0.00 H new ATOM 455 N VAL A 63 -123.105-105.863 6.814 1.00 0.00 N ATOM 456 CA VAL A 63 -124.023-106.854 6.239 1.00 0.00 C ATOM 457 C VAL A 63 -123.211-107.702 5.286 1.00 0.00 C ATOM 458 O VAL A 63 -122.130-107.279 4.882 1.00 0.00 O ATOM 459 CB VAL A 63 -125.254-106.264 5.535 1.00 0.00 C ATOM 460 CG1 VAL A 63 -126.277-105.845 6.612 1.00 0.00 C ATOM 461 CG2 VAL A 63 -124.861-105.079 4.625 1.00 0.00 C ATOM 0 H VAL A 63 -122.514-105.414 6.115 1.00 0.00 H new ATOM 0 HA VAL A 63 -124.446-107.438 7.056 1.00 0.00 H new ATOM 0 HB VAL A 63 -125.704-107.014 4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -127.159-105.423 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -126.566-106.717 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -125.829-105.098 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -125.752-104.682 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -124.396-104.297 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -124.157-105.421 3.866 1.00 0.00 H new ATOM 471 N ASP A 64 -123.721-108.914 4.912 1.00 0.00 N ATOM 472 CA ASP A 64 -123.097-109.910 4.038 1.00 0.00 C ATOM 473 C ASP A 64 -123.080-109.508 2.571 1.00 0.00 C ATOM 474 O ASP A 64 -124.109-109.231 1.966 1.00 0.00 O ATOM 475 CB ASP A 64 -123.765-111.309 4.172 1.00 0.00 C ATOM 476 CG ASP A 64 -123.600-111.818 5.607 1.00 0.00 C ATOM 477 OD1 ASP A 64 -122.433-112.059 6.017 1.00 0.00 O ATOM 478 OD2 ASP A 64 -124.636-111.973 6.306 1.00 0.00 O ATOM 0 H ASP A 64 -124.635-109.223 5.242 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.064-109.965 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.823-111.245 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -123.310-112.010 3.472 1.00 0.00 H new ATOM 483 N GLU A 65 -121.850-109.466 1.997 1.00 0.00 N ATOM 484 CA GLU A 65 -121.486-109.124 0.633 1.00 0.00 C ATOM 485 C GLU A 65 -121.619-110.348 -0.265 1.00 0.00 C ATOM 486 O GLU A 65 -122.150-110.291 -1.375 1.00 0.00 O ATOM 487 CB GLU A 65 -120.010-108.610 0.627 1.00 0.00 C ATOM 488 CG GLU A 65 -119.510-107.927 -0.667 1.00 0.00 C ATOM 489 CD GLU A 65 -120.081-106.519 -0.840 1.00 0.00 C ATOM 490 OE1 GLU A 65 -121.315-106.388 -1.051 1.00 0.00 O ATOM 491 OE2 GLU A 65 -119.277-105.550 -0.780 1.00 0.00 O ATOM 0 H GLU A 65 -121.022-109.696 2.546 1.00 0.00 H new ATOM 0 HA GLU A 65 -122.150-108.347 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.894-107.904 1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.356-109.456 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -118.421-107.875 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.787-108.537 -1.527 1.00 0.00 H new ATOM 498 N PHE A 66 -121.099-111.493 0.248 1.00 0.00 N ATOM 499 CA PHE A 66 -121.100-112.766 -0.444 1.00 0.00 C ATOM 500 C PHE A 66 -120.618-113.818 0.548 1.00 0.00 C ATOM 501 O PHE A 66 -120.215-113.531 1.675 1.00 0.00 O ATOM 502 CB PHE A 66 -120.272-112.781 -1.798 1.00 0.00 C ATOM 503 CG PHE A 66 -118.777-112.557 -1.645 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.274-111.360 -1.190 1.00 0.00 C ATOM 505 CD2 PHE A 66 -117.883-113.578 -1.896 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.955-111.219 -0.841 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.537-113.429 -1.616 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.076-112.253 -1.055 1.00 0.00 C ATOM 0 H PHE A 66 -120.665-111.536 1.170 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.115-112.983 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.431-113.740 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.673-112.012 -2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.935-110.510 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.240-114.506 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.608-110.297 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -115.847-114.230 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.035-112.148 -0.787 1.00 0.00 H new ATOM 518 N THR A 67 -120.597-115.106 0.144 1.00 0.00 N ATOM 519 CA THR A 67 -120.015-116.198 0.916 1.00 0.00 C ATOM 520 C THR A 67 -119.398-116.980 -0.202 1.00 0.00 C ATOM 521 O THR A 67 -120.077-117.199 -1.201 1.00 0.00 O ATOM 522 CB THR A 67 -121.068-116.995 1.687 1.00 0.00 C ATOM 523 OG1 THR A 67 -121.538-116.183 2.754 1.00 0.00 O ATOM 524 CG2 THR A 67 -120.540-118.305 2.307 1.00 0.00 C ATOM 0 H THR A 67 -120.994-115.410 -0.745 1.00 0.00 H new ATOM 0 HA THR A 67 -119.325-115.897 1.704 1.00 0.00 H new ATOM 0 HB THR A 67 -121.843-117.264 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 67 -121.115-115.300 2.704 1.00 0.00 H new ATOM 0 HG21 THR A 67 -121.349-118.809 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 67 -120.162-118.955 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 67 -119.735-118.078 3.006 1.00 0.00 H new ATOM 532 N ALA A 68 -118.131-117.411 -0.105 1.00 0.00 N ATOM 533 CA ALA A 68 -117.529-118.096 -1.264 1.00 0.00 C ATOM 534 C ALA A 68 -116.544-119.180 -0.941 1.00 0.00 C ATOM 535 O ALA A 68 -115.988-119.262 0.157 1.00 0.00 O ATOM 536 CB ALA A 68 -116.850-117.103 -2.247 1.00 0.00 C ATOM 0 H ALA A 68 -117.530-117.308 0.713 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.391-118.575 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.422-117.655 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.591-116.396 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.060-116.560 -1.728 1.00 0.00 H new ATOM 542 N ALA A 69 -116.271-120.036 -1.976 1.00 0.00 N ATOM 543 CA ALA A 69 -115.286-121.102 -1.946 1.00 0.00 C ATOM 544 C ALA A 69 -113.916-120.492 -2.254 1.00 0.00 C ATOM 545 O ALA A 69 -113.653-119.966 -3.333 1.00 0.00 O ATOM 546 CB ALA A 69 -115.657-122.206 -2.957 1.00 0.00 C ATOM 0 H ALA A 69 -116.760-119.978 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.259-121.570 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.909-122.998 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.634-122.618 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.691-121.783 -3.961 1.00 0.00 H new ATOM 552 N ALA A 70 -113.036-120.518 -1.236 1.00 0.00 N ATOM 553 CA ALA A 70 -111.810-119.766 -1.253 1.00 0.00 C ATOM 554 C ALA A 70 -110.863-120.243 -0.188 1.00 0.00 C ATOM 555 O ALA A 70 -111.225-121.009 0.710 1.00 0.00 O ATOM 556 CB ALA A 70 -112.118-118.272 -0.967 1.00 0.00 C ATOM 0 H ALA A 70 -113.173-121.067 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.354-119.899 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.190-117.700 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -112.792-117.887 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.589-118.178 0.012 1.00 0.00 H new ATOM 562 N HIS A 71 -109.621-119.710 -0.293 1.00 0.00 N ATOM 563 CA HIS A 71 -108.528-119.817 0.648 1.00 0.00 C ATOM 564 C HIS A 71 -108.279-118.379 1.004 1.00 0.00 C ATOM 565 O HIS A 71 -107.783-117.636 0.163 1.00 0.00 O ATOM 566 CB HIS A 71 -107.302-120.402 -0.098 1.00 0.00 C ATOM 567 CG HIS A 71 -106.043-120.707 0.666 1.00 0.00 C ATOM 568 ND1 HIS A 71 -104.919-121.127 -0.006 1.00 0.00 N ATOM 569 CD2 HIS A 71 -105.765-120.871 1.991 1.00 0.00 C ATOM 570 CE1 HIS A 71 -104.031-121.549 0.924 1.00 0.00 C ATOM 571 NE2 HIS A 71 -104.492-121.399 2.151 1.00 0.00 N ATOM 0 H HIS A 71 -109.359-119.156 -1.108 1.00 0.00 H new ATOM 0 HA HIS A 71 -108.723-120.450 1.514 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -107.623-121.326 -0.579 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.040-119.703 -0.893 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -104.781-121.121 -1.017 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -106.438-120.625 2.799 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -103.060-121.960 0.690 1.00 0.00 H new ATOM 579 N VAL A 72 -108.646-117.935 2.237 1.00 0.00 N ATOM 580 CA VAL A 72 -108.574-116.559 2.730 1.00 0.00 C ATOM 581 C VAL A 72 -107.777-116.803 4.027 1.00 0.00 C ATOM 582 O VAL A 72 -108.351-117.257 5.020 1.00 0.00 O ATOM 583 CB VAL A 72 -110.039-115.991 2.893 1.00 0.00 C ATOM 584 CG1 VAL A 72 -110.233-114.437 3.026 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.944-116.513 1.744 1.00 0.00 C ATOM 0 H VAL A 72 -109.018-118.573 2.941 1.00 0.00 H new ATOM 0 HA VAL A 72 -108.102-115.800 2.106 1.00 0.00 H new ATOM 0 HB VAL A 72 -110.325-116.370 3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -111.294-114.210 3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -109.697-114.077 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -109.842-113.944 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.952-116.116 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -110.539-116.188 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.977-117.602 1.773 1.00 0.00 H new ATOM 595 N GLN A 73 -106.419-116.566 4.025 1.00 0.00 N ATOM 596 CA GLN A 73 -105.494-116.899 5.114 1.00 0.00 C ATOM 597 C GLN A 73 -104.571-115.718 5.440 1.00 0.00 C ATOM 598 O GLN A 73 -104.507-114.789 4.635 1.00 0.00 O ATOM 599 CB GLN A 73 -104.633-118.175 4.763 1.00 0.00 C ATOM 600 CG GLN A 73 -103.703-118.106 3.514 1.00 0.00 C ATOM 601 CD GLN A 73 -102.333-118.794 3.699 1.00 0.00 C ATOM 602 OE1 GLN A 73 -101.314-118.096 3.643 1.00 0.00 O ATOM 603 NE2 GLN A 73 -102.294-120.137 3.903 1.00 0.00 N ATOM 0 H GLN A 73 -105.949-116.126 3.234 1.00 0.00 H new ATOM 0 HA GLN A 73 -106.098-117.120 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -104.013-118.409 5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -105.317-119.012 4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -104.215-118.566 2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -103.538-117.060 3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -103.161-120.672 3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -101.397-120.610 4.017 1.00 0.00 H new ATOM 612 N PRO A 74 -103.862-115.639 6.614 1.00 0.00 N ATOM 613 CA PRO A 74 -102.823-114.632 6.927 1.00 0.00 C ATOM 614 C PRO A 74 -101.543-114.900 6.106 1.00 0.00 C ATOM 615 O PRO A 74 -101.268-116.079 5.908 1.00 0.00 O ATOM 616 CB PRO A 74 -102.567-114.805 8.456 1.00 0.00 C ATOM 617 CG PRO A 74 -103.588-115.843 8.955 1.00 0.00 C ATOM 618 CD PRO A 74 -103.968-116.620 7.695 1.00 0.00 C ATOM 0 HA PRO A 74 -103.130-113.616 6.677 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -101.548-115.143 8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -102.690-113.857 8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -103.155-116.497 9.712 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -104.457-115.364 9.406 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -103.298-117.464 7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -104.978-117.024 7.767 1.00 0.00 H new ATOM 626 N ILE A 75 -100.748-113.878 5.654 1.00 0.00 N ATOM 627 CA ILE A 75 -99.502-113.949 4.834 1.00 0.00 C ATOM 628 C ILE A 75 -98.478-115.114 4.959 1.00 0.00 C ATOM 629 O ILE A 75 -97.298-114.895 5.224 1.00 0.00 O ATOM 630 CB ILE A 75 -98.719-112.625 4.889 1.00 0.00 C ATOM 631 CG1 ILE A 75 -98.527-112.147 6.351 1.00 0.00 C ATOM 632 CG2 ILE A 75 -99.399-111.587 3.972 1.00 0.00 C ATOM 633 CD1 ILE A 75 -97.268-111.299 6.521 1.00 0.00 C ATOM 0 H ILE A 75 -100.984-112.910 5.873 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.978-114.177 3.881 1.00 0.00 H new ATOM 0 HB ILE A 75 -97.709-112.773 4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -99.397-111.568 6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -98.471-113.013 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -98.845-110.649 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -99.411-111.959 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -100.422-111.418 4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -97.177-110.988 7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -96.393-111.886 6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -97.334-110.418 5.883 1.00 0.00 H new ATOM 894 N GLY A 91 -101.077-109.000 7.839 1.00 0.00 N ATOM 895 CA GLY A 91 -101.282-109.175 6.412 1.00 0.00 C ATOM 896 C GLY A 91 -102.110-110.371 6.118 1.00 0.00 C ATOM 897 O GLY A 91 -102.078-111.369 6.836 1.00 0.00 O ATOM 0 HA2 GLY A 91 -101.766-108.288 6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.317-109.270 5.915 1.00 0.00 H new ATOM 901 N TYR A 92 -102.861-110.316 4.989 1.00 0.00 N ATOM 902 CA TYR A 92 -103.668-111.407 4.474 1.00 0.00 C ATOM 903 C TYR A 92 -103.207-111.722 3.070 1.00 0.00 C ATOM 904 O TYR A 92 -102.834-110.856 2.278 1.00 0.00 O ATOM 905 CB TYR A 92 -105.208-111.164 4.565 1.00 0.00 C ATOM 906 CG TYR A 92 -105.571-111.381 6.007 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.317-110.435 6.986 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.992-112.633 6.390 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.349-110.792 8.317 1.00 0.00 C ATOM 910 CE2 TYR A 92 -105.970-113.011 7.711 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.621-112.091 8.674 1.00 0.00 C ATOM 912 OH TYR A 92 -105.481-112.471 10.018 1.00 0.00 O ATOM 0 H TYR A 92 -102.910-109.479 4.409 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.513-112.275 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.464-110.154 4.245 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.752-111.852 3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -105.094-109.416 6.706 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -106.345-113.328 5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.160-110.051 9.079 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.225-114.022 7.992 1.00 0.00 H new ATOM 0 HH TYR A 92 -105.710-113.419 10.115 1.00 0.00 H new ATOM 922 N ASN A 93 -103.238-113.035 2.757 1.00 0.00 N ATOM 923 CA ASN A 93 -102.882-113.651 1.488 1.00 0.00 C ATOM 924 C ASN A 93 -104.081-114.517 1.109 1.00 0.00 C ATOM 925 O ASN A 93 -104.512-115.396 1.858 1.00 0.00 O ATOM 926 CB ASN A 93 -101.571-114.462 1.653 1.00 0.00 C ATOM 927 CG ASN A 93 -100.965-114.912 0.326 1.00 0.00 C ATOM 928 OD1 ASN A 93 -101.290-114.426 -0.757 1.00 0.00 O ATOM 929 ND2 ASN A 93 -100.028-115.887 0.406 1.00 0.00 N ATOM 0 H ASN A 93 -103.535-113.730 3.442 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.682-112.929 0.697 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -100.842-113.855 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.770-115.339 2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -99.577-116.232 -0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -99.773-116.276 1.314 1.00 0.00 H new ATOM 936 N ILE A 94 -104.691-114.244 -0.064 1.00 0.00 N ATOM 937 CA ILE A 94 -105.950-114.863 -0.440 1.00 0.00 C ATOM 938 C ILE A 94 -106.102-115.047 -1.936 1.00 0.00 C ATOM 939 O ILE A 94 -105.717-114.201 -2.751 1.00 0.00 O ATOM 940 CB ILE A 94 -107.136-114.060 0.166 1.00 0.00 C ATOM 941 CG1 ILE A 94 -108.571-114.426 -0.321 1.00 0.00 C ATOM 942 CG2 ILE A 94 -106.880-112.537 0.158 1.00 0.00 C ATOM 943 CD1 ILE A 94 -109.083-113.761 -1.606 1.00 0.00 C ATOM 0 H ILE A 94 -104.320-113.596 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 94 -105.955-115.871 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.148-114.404 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.611-115.506 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -109.268-114.185 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -107.737-112.022 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -105.989-112.315 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -106.733-112.198 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -110.093-114.111 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -109.094-112.679 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -108.426-114.020 -2.436 1.00 0.00 H new ATOM 955 N TYR A 95 -106.797-116.177 -2.297 1.00 0.00 N ATOM 956 CA TYR A 95 -107.333-116.470 -3.619 1.00 0.00 C ATOM 957 C TYR A 95 -108.808-116.927 -3.434 1.00 0.00 C ATOM 958 O TYR A 95 -109.115-117.775 -2.579 1.00 0.00 O ATOM 959 CB TYR A 95 -106.396-117.348 -4.543 1.00 0.00 C ATOM 960 CG TYR A 95 -106.703-118.822 -4.560 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.142-119.686 -3.638 1.00 0.00 C ATOM 962 CD2 TYR A 95 -107.699-119.278 -5.405 1.00 0.00 C ATOM 963 CE1 TYR A 95 -106.658-120.961 -3.485 1.00 0.00 C ATOM 964 CE2 TYR A 95 -108.241-120.527 -5.219 1.00 0.00 C ATOM 965 CZ TYR A 95 -107.739-121.354 -4.241 1.00 0.00 C ATOM 966 OH TYR A 95 -108.387-122.574 -3.982 1.00 0.00 O ATOM 0 H TYR A 95 -106.992-116.921 -1.627 1.00 0.00 H new ATOM 0 HA TYR A 95 -107.350-115.570 -4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -106.462-116.969 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -105.364-117.213 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -105.303-119.367 -3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -108.051-118.652 -6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -106.215-121.644 -2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -109.060-120.859 -5.840 1.00 0.00 H new ATOM 0 HH TYR A 95 -109.130-122.690 -4.611 1.00 0.00 H new ATOM 976 N THR A 96 -109.742-116.356 -4.259 1.00 0.00 N ATOM 977 CA THR A 96 -111.162-116.704 -4.346 1.00 0.00 C ATOM 978 C THR A 96 -111.466-116.658 -5.845 1.00 0.00 C ATOM 979 O THR A 96 -110.841-115.818 -6.499 1.00 0.00 O ATOM 980 CB THR A 96 -112.076-115.838 -3.448 1.00 0.00 C ATOM 981 OG1 THR A 96 -113.416-116.311 -3.400 1.00 0.00 O ATOM 982 CG2 THR A 96 -112.157-114.347 -3.784 1.00 0.00 C ATOM 0 H THR A 96 -109.492-115.607 -4.904 1.00 0.00 H new ATOM 0 HA THR A 96 -111.377-117.693 -3.940 1.00 0.00 H new ATOM 0 HB THR A 96 -111.570-115.940 -2.488 1.00 0.00 H new ATOM 0 HG1 THR A 96 -113.948-115.729 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 96 -112.829-113.852 -3.083 1.00 0.00 H new ATOM 0 HG22 THR A 96 -111.164-113.903 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 96 -112.536-114.223 -4.798 1.00 0.00 H new ATOM 990 N PRO A 97 -112.345-117.460 -6.512 1.00 0.00 N ATOM 991 CA PRO A 97 -112.600-117.412 -7.965 1.00 0.00 C ATOM 992 C PRO A 97 -113.429-116.168 -8.318 1.00 0.00 C ATOM 993 O PRO A 97 -114.440-115.915 -7.668 1.00 0.00 O ATOM 994 CB PRO A 97 -113.334-118.739 -8.241 1.00 0.00 C ATOM 995 CG PRO A 97 -114.090-119.022 -6.943 1.00 0.00 C ATOM 996 CD PRO A 97 -113.117-118.519 -5.873 1.00 0.00 C ATOM 0 HA PRO A 97 -111.703-117.323 -8.577 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -114.015-118.650 -9.088 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -112.634-119.540 -8.478 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -115.043-118.493 -6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -114.309-120.083 -6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -113.653-118.142 -5.002 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.468-119.322 -5.525 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.949-115.344 -9.286 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.420-114.057 -9.812 1.00 0.00 C ATOM 1006 C TYR A 98 -113.851-112.912 -8.875 1.00 0.00 C ATOM 1007 O TYR A 98 -114.127-111.800 -9.315 1.00 0.00 O ATOM 1008 CB TYR A 98 -114.388-114.252 -11.033 1.00 0.00 C ATOM 1009 CG TYR A 98 -114.329-113.127 -12.057 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -113.125-112.576 -12.473 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -115.497-112.612 -12.592 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -113.087-111.518 -13.355 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -115.462-111.565 -13.495 1.00 0.00 C ATOM 1014 CZ TYR A 98 -114.257-111.008 -13.873 1.00 0.00 C ATOM 1015 OH TYR A 98 -114.209-109.932 -14.788 1.00 0.00 O ATOM 0 H TYR A 98 -112.099-115.619 -9.779 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.467-113.630 -10.125 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -114.147-115.193 -11.528 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -115.410-114.339 -10.663 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -112.199-112.985 -12.098 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -116.448-113.033 -12.301 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -112.138-111.088 -13.641 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -116.383-111.181 -13.907 1.00 0.00 H new ATOM 0 HH TYR A 98 -115.120-109.692 -15.059 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.908-113.129 -7.542 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.315-112.124 -6.553 1.00 0.00 C ATOM 1027 C ASP A 99 -113.140-111.280 -6.052 1.00 0.00 C ATOM 1028 O ASP A 99 -112.123-111.771 -5.569 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.102-112.706 -5.335 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.499-113.183 -5.757 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -116.591-114.184 -6.514 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -117.494-112.549 -5.313 1.00 0.00 O ATOM 0 H ASP A 99 -113.666-114.027 -7.123 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.002-111.481 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.546-113.537 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.193-111.945 -4.560 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.286-109.939 -6.158 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.326-108.909 -5.764 1.00 0.00 C ATOM 1039 C ASP A 100 -112.880-108.159 -4.554 1.00 0.00 C ATOM 1040 O ASP A 100 -112.572-106.992 -4.321 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.083-107.889 -6.927 1.00 0.00 C ATOM 1042 CG ASP A 100 -111.513-108.570 -8.183 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -112.285-109.278 -8.884 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -110.304-108.371 -8.470 1.00 0.00 O ATOM 0 H ASP A 100 -114.136-109.532 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.378-109.389 -5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -113.022-107.395 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.394-107.114 -6.591 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.770-108.840 -3.787 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.563-108.299 -2.696 1.00 0.00 C ATOM 1051 C ARG A 101 -114.102-108.600 -1.267 1.00 0.00 C ATOM 1052 O ARG A 101 -114.637-108.003 -0.340 1.00 0.00 O ATOM 1053 CB ARG A 101 -116.014-108.818 -2.857 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.653-108.622 -4.242 1.00 0.00 C ATOM 1055 CD ARG A 101 -118.096-109.150 -4.246 1.00 0.00 C ATOM 1056 NE ARG A 101 -118.661-109.068 -5.636 1.00 0.00 N ATOM 1057 CZ ARG A 101 -119.872-109.612 -5.971 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -120.626-110.269 -5.041 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -120.330-109.498 -7.253 1.00 0.00 N ATOM 0 H ARG A 101 -113.950-109.833 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 101 -114.456-107.218 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -116.026-109.882 -2.621 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.640-108.320 -2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.645-107.565 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -116.066-109.144 -4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -118.117-110.182 -3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -118.709-108.567 -3.559 1.00 0.00 H new ATOM 0 HE ARG A 101 -118.122-108.589 -6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -120.289-110.359 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -121.526-110.669 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -119.771-109.010 -7.953 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -121.231-109.901 -7.510 1.00 0.00 H new ATOM 1073 N ILE A 102 -113.144-109.546 -1.022 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.571-110.047 0.197 1.00 0.00 C ATOM 1075 C ILE A 102 -112.105-109.063 1.265 1.00 0.00 C ATOM 1076 O ILE A 102 -112.760-108.939 2.294 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.477-110.995 -0.294 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -110.532-110.353 -1.371 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -112.232-112.223 -0.844 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -110.778-110.742 -2.842 1.00 0.00 C ATOM 0 H ILE A 102 -112.717-110.022 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.356-110.518 0.789 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.798-111.257 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -110.613-109.269 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -109.504-110.615 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -111.515-112.954 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -112.826-112.672 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -112.890-111.912 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -110.058-110.229 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -110.662-111.820 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -111.788-110.453 -3.131 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.972-108.357 1.032 1.00 0.00 N ATOM 1093 CA ASP A 103 -110.341-107.351 1.887 1.00 0.00 C ATOM 1094 C ASP A 103 -110.598-105.956 1.316 1.00 0.00 C ATOM 1095 O ASP A 103 -110.953-105.856 0.144 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.777-107.478 1.987 1.00 0.00 C ATOM 1097 CG ASP A 103 -108.163-108.877 2.184 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -108.796-109.915 1.868 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -106.982-108.901 2.629 1.00 0.00 O ATOM 0 H ASP A 103 -110.443-108.495 0.171 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.777-107.510 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.351-107.055 1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -108.446-106.851 2.815 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.355-104.883 2.135 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.448-103.451 1.794 1.00 0.00 C ATOM 1106 C LYS A 104 -111.716-102.822 2.343 1.00 0.00 C ATOM 1107 O LYS A 104 -112.692-102.631 1.623 1.00 0.00 O ATOM 1108 CB LYS A 104 -110.115-103.061 0.320 1.00 0.00 C ATOM 1109 CG LYS A 104 -109.642-101.611 0.126 1.00 0.00 C ATOM 1110 CD LYS A 104 -109.219-101.329 -1.327 1.00 0.00 C ATOM 1111 CE LYS A 104 -108.571 -99.952 -1.527 1.00 0.00 C ATOM 1112 NZ LYS A 104 -109.521 -98.858 -1.217 1.00 0.00 N ATOM 0 H LYS A 104 -110.073-105.019 3.106 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.611-102.992 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -109.342-103.733 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -111.002-103.224 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -110.443-100.928 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -108.803-101.412 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -108.518-102.100 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -110.094-101.405 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -107.692 -99.865 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -108.227 -99.856 -2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -109.053 -97.941 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -110.348 -98.928 -1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -109.830 -98.937 -0.227 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.723-102.529 3.682 1.00 0.00 N ATOM 1127 CA LYS A 105 -112.846-101.987 4.473 1.00 0.00 C ATOM 1128 C LYS A 105 -113.806-103.114 4.861 1.00 0.00 C ATOM 1129 O LYS A 105 -114.987-102.904 5.128 1.00 0.00 O ATOM 1130 CB LYS A 105 -113.619-100.799 3.791 1.00 0.00 C ATOM 1131 CG LYS A 105 -114.441 -99.879 4.716 1.00 0.00 C ATOM 1132 CD LYS A 105 -115.394 -98.983 3.906 1.00 0.00 C ATOM 1133 CE LYS A 105 -116.138 -97.943 4.755 1.00 0.00 C ATOM 1134 NZ LYS A 105 -117.059 -97.140 3.920 1.00 0.00 N ATOM 0 H LYS A 105 -110.894-102.678 4.257 1.00 0.00 H new ATOM 0 HA LYS A 105 -112.399-101.552 5.367 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -112.894-100.184 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -114.293-101.217 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -115.015-100.484 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -113.768 -99.258 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -114.824 -98.467 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -116.124 -99.612 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -116.700 -98.445 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -115.419 -97.286 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -117.550 -96.444 4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -116.517 -96.644 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -117.758 -97.767 3.472 1.00 0.00 H new ATOM 1148 N MET A 106 -113.311-104.380 4.858 1.00 0.00 N ATOM 1149 CA MET A 106 -114.203-105.529 5.028 1.00 0.00 C ATOM 1150 C MET A 106 -114.020-106.209 6.373 1.00 0.00 C ATOM 1151 O MET A 106 -113.031-105.983 7.079 1.00 0.00 O ATOM 1152 CB MET A 106 -114.012-106.540 3.861 1.00 0.00 C ATOM 1153 CG MET A 106 -114.224-105.945 2.446 1.00 0.00 C ATOM 1154 SD MET A 106 -115.870-105.262 2.109 1.00 0.00 S ATOM 1155 CE MET A 106 -115.514-104.721 0.408 1.00 0.00 C ATOM 0 H MET A 106 -112.325-104.615 4.742 1.00 0.00 H new ATOM 0 HA MET A 106 -115.226-105.153 5.004 1.00 0.00 H new ATOM 0 HB2 MET A 106 -113.005-106.954 3.919 1.00 0.00 H new ATOM 0 HB3 MET A 106 -114.706-107.369 3.999 1.00 0.00 H new ATOM 0 HG2 MET A 106 -113.487-105.157 2.291 1.00 0.00 H new ATOM 0 HG3 MET A 106 -114.018-106.724 1.712 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.281-104.019 0.082 1.00 0.00 H new ATOM 0 HE2 MET A 106 -114.539-104.234 0.378 1.00 0.00 H new ATOM 0 HE3 MET A 106 -115.508-105.586 -0.255 1.00 0.00 H new ATOM 1165 N ARG A 107 -115.000-107.082 6.731 1.00 0.00 N ATOM 1166 CA ARG A 107 -115.032-107.941 7.904 1.00 0.00 C ATOM 1167 C ARG A 107 -115.315-109.333 7.369 1.00 0.00 C ATOM 1168 O ARG A 107 -116.214-109.560 6.552 1.00 0.00 O ATOM 1169 CB ARG A 107 -116.043-107.483 8.984 1.00 0.00 C ATOM 1170 CG ARG A 107 -115.998-108.298 10.293 1.00 0.00 C ATOM 1171 CD ARG A 107 -116.724-107.617 11.463 1.00 0.00 C ATOM 1172 NE ARG A 107 -115.974-106.364 11.828 1.00 0.00 N ATOM 1173 CZ ARG A 107 -116.400-105.487 12.790 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -117.559-105.709 13.476 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -115.659-104.372 13.054 1.00 0.00 N ATOM 0 H ARG A 107 -115.835-107.197 6.157 1.00 0.00 H new ATOM 0 HA ARG A 107 -114.083-107.905 8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.855-106.435 9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -117.049-107.542 8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -116.445-109.277 10.118 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -114.958-108.468 10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -117.750-107.376 11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -116.776-108.290 12.319 1.00 0.00 H new ATOM 0 HE ARG A 107 -115.105-106.158 11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -118.120-106.537 13.275 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -117.864-105.047 14.190 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -114.797-104.198 12.537 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -115.967-103.712 13.768 1.00 0.00 H new ATOM 1189 N VAL A 108 -114.484-110.308 7.786 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.500-111.655 7.280 1.00 0.00 C ATOM 1191 C VAL A 108 -114.374-112.631 8.413 1.00 0.00 C ATOM 1192 O VAL A 108 -113.743-112.372 9.452 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.342-111.837 6.302 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -112.007-111.460 6.971 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.276-113.243 5.669 1.00 0.00 C ATOM 0 H VAL A 108 -113.773-110.156 8.502 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.443-111.839 6.765 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.530-111.155 5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -111.192-111.596 6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -112.041-110.418 7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -111.841-112.099 7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.428-113.295 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.157-113.990 6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -114.197-113.438 5.119 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.966-113.823 8.149 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.918-114.984 8.983 1.00 0.00 C ATOM 1207 C ILE A 109 -114.267-116.104 8.157 1.00 0.00 C ATOM 1208 O ILE A 109 -114.949-116.698 7.309 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.349-115.386 9.413 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -117.173-114.210 10.007 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.257-116.519 10.455 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.064-113.454 9.008 1.00 0.00 C ATOM 0 H ILE A 109 -115.509-113.977 7.299 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.343-114.794 9.889 1.00 0.00 H new ATOM 0 HB ILE A 109 -116.873-115.711 8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -117.803-114.599 10.807 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -116.483-113.499 10.462 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.260-116.810 10.765 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -115.750-117.378 10.015 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.696-116.171 11.322 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -118.594-112.655 9.526 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -117.445-113.027 8.219 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.786-114.144 8.570 1.00 0.00 H new ATOM 1224 N TYR A 110 -112.978-116.488 8.474 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.290-117.675 7.942 1.00 0.00 C ATOM 1226 C TYR A 110 -112.500-118.788 8.982 1.00 0.00 C ATOM 1227 O TYR A 110 -111.848-118.762 10.023 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.735-117.574 7.742 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.273-116.170 7.707 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -110.482-115.442 6.567 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.645-115.593 8.795 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -110.047-114.144 6.509 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -109.202-114.289 8.729 1.00 0.00 C ATOM 1234 CZ TYR A 110 -109.404-113.565 7.575 1.00 0.00 C ATOM 1235 OH TYR A 110 -108.986-112.226 7.472 1.00 0.00 O ATOM 0 H TYR A 110 -112.398-115.954 9.121 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.710-117.835 6.949 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.230-118.102 8.551 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.455-118.071 6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -110.985-115.887 5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -109.501-116.165 9.699 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -110.212-113.567 5.611 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -108.701-113.840 9.574 1.00 0.00 H new ATOM 0 HH TYR A 110 -108.013-112.195 7.361 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.446-119.749 8.756 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.787-120.881 9.642 1.00 0.00 C ATOM 1247 C ARG A 111 -114.113-120.573 11.125 1.00 0.00 C ATOM 1248 O ARG A 111 -113.779-121.341 12.023 1.00 0.00 O ATOM 1249 CB ARG A 111 -112.714-122.010 9.583 1.00 0.00 C ATOM 1250 CG ARG A 111 -112.525-122.666 8.208 1.00 0.00 C ATOM 1251 CD ARG A 111 -111.566-123.865 8.299 1.00 0.00 C ATOM 1252 NE ARG A 111 -111.574-124.613 6.995 1.00 0.00 N ATOM 1253 CZ ARG A 111 -110.980-125.837 6.831 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -110.300-126.431 7.853 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -111.067-126.467 5.622 1.00 0.00 N ATOM 0 H ARG A 111 -114.012-119.745 7.908 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.736-121.203 9.214 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -111.758-121.597 9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -112.985-122.783 10.302 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -113.490-122.995 7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -112.132-121.934 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -110.557-123.521 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -111.869-124.526 9.111 1.00 0.00 H new ATOM 0 HE ARG A 111 -112.044-124.190 6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -110.228-125.964 8.757 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -109.864-127.342 7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -111.570-126.026 4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -110.629-127.378 5.489 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.755-119.406 11.402 1.00 0.00 N ATOM 1270 CA GLY A 112 -115.032-118.886 12.745 1.00 0.00 C ATOM 1271 C GLY A 112 -114.008-117.933 13.333 1.00 0.00 C ATOM 1272 O GLY A 112 -114.095-117.607 14.512 1.00 0.00 O ATOM 0 H GLY A 112 -115.100-118.791 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.995-118.377 12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -115.136-119.733 13.423 1.00 0.00 H new ATOM 1276 N LYS A 113 -113.027-117.425 12.539 1.00 0.00 N ATOM 1277 CA LYS A 113 -112.020-116.454 12.969 1.00 0.00 C ATOM 1278 C LYS A 113 -112.338-115.074 12.388 1.00 0.00 C ATOM 1279 O LYS A 113 -112.328-114.885 11.170 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.609-116.944 12.559 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.434-116.064 13.017 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.083-116.760 12.780 1.00 0.00 C ATOM 1283 CE LYS A 113 -106.861-115.882 13.080 1.00 0.00 C ATOM 1284 NZ LYS A 113 -106.761-114.752 12.127 1.00 0.00 N ATOM 0 H LYS A 113 -112.924-117.695 11.561 1.00 0.00 H new ATOM 0 HA LYS A 113 -112.038-116.363 14.055 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.464-117.948 12.959 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -110.575-117.025 11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -109.456-115.117 12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -109.544-115.831 14.076 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -108.034-117.655 13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -108.034-117.089 11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -106.929-115.497 14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -105.955-116.486 13.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -105.763-114.485 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -107.154-115.038 11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -107.296-113.939 12.495 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.648-114.091 13.285 1.00 0.00 N ATOM 1299 CA ILE A 114 -113.064-112.725 12.955 1.00 0.00 C ATOM 1300 C ILE A 114 -111.915-111.709 12.924 1.00 0.00 C ATOM 1301 O ILE A 114 -111.316-111.386 13.950 1.00 0.00 O ATOM 1302 CB ILE A 114 -114.188-112.243 13.888 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -113.939-112.624 15.373 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -115.517-112.824 13.356 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -114.968-112.013 16.331 1.00 0.00 C ATOM 0 H ILE A 114 -112.608-114.252 14.291 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.444-112.780 11.935 1.00 0.00 H new ATOM 0 HB ILE A 114 -114.224-111.154 13.882 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -113.959-113.709 15.472 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -112.941-112.296 15.664 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -116.338-112.501 13.996 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -115.688-112.469 12.340 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -115.464-113.913 13.356 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -114.739-112.317 17.353 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -114.932-110.926 16.259 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -115.966-112.361 16.064 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.615-111.186 11.699 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.626-110.136 11.405 1.00 0.00 C ATOM 1319 C VAL A 115 -111.293-109.073 10.492 1.00 0.00 C ATOM 1320 O VAL A 115 -112.238-109.383 9.762 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.348-110.730 10.771 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.236-109.685 10.545 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -108.767-111.835 11.684 1.00 0.00 C ATOM 0 H VAL A 115 -112.088-111.511 10.855 1.00 0.00 H new ATOM 0 HA VAL A 115 -110.308-109.658 12.331 1.00 0.00 H new ATOM 0 HB VAL A 115 -109.654-111.124 9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.368-110.169 10.098 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.601-108.904 9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -107.953-109.243 11.500 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -107.867-112.247 11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -108.520-111.410 12.657 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.505-112.627 11.811 1.00 0.00 H new ATOM 1333 N THR A 116 -110.800-107.794 10.475 1.00 0.00 N ATOM 1334 CA THR A 116 -111.220-106.704 9.577 1.00 0.00 C ATOM 1335 C THR A 116 -109.929-106.176 8.952 1.00 0.00 C ATOM 1336 O THR A 116 -108.884-106.170 9.604 1.00 0.00 O ATOM 1337 CB THR A 116 -112.121-105.625 10.199 1.00 0.00 C ATOM 1338 OG1 THR A 116 -112.500-104.615 9.261 1.00 0.00 O ATOM 1339 CG2 THR A 116 -111.467-104.954 11.417 1.00 0.00 C ATOM 0 H THR A 116 -110.068-107.498 11.121 1.00 0.00 H new ATOM 0 HA THR A 116 -111.901-107.090 8.818 1.00 0.00 H new ATOM 0 HB THR A 116 -113.017-106.155 10.521 1.00 0.00 H new ATOM 0 HG1 THR A 116 -112.855-105.037 8.451 1.00 0.00 H new ATOM 0 HG21 THR A 116 -112.141-104.199 11.822 1.00 0.00 H new ATOM 0 HG22 THR A 116 -111.263-105.705 12.180 1.00 0.00 H new ATOM 0 HG23 THR A 116 -110.533-104.481 11.114 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.966-105.814 7.645 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.747-105.620 6.873 1.00 0.00 C ATOM 1349 C PHE A 117 -108.862-104.839 5.567 1.00 0.00 C ATOM 1350 O PHE A 117 -109.958-104.539 5.061 1.00 0.00 O ATOM 1351 CB PHE A 117 -108.106-107.020 6.558 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.973-108.077 5.874 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -110.308-107.975 5.499 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -108.342-109.272 5.619 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.949-109.021 4.871 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.964-110.314 4.973 1.00 0.00 C ATOM 1357 CZ PHE A 117 -110.265-110.172 4.556 1.00 0.00 C ATOM 0 H PHE A 117 -110.827-105.655 7.121 1.00 0.00 H new ATOM 0 HA PHE A 117 -108.129-104.993 7.516 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -107.231-106.851 5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.748-107.441 7.498 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.850-107.063 5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -107.318-109.397 5.939 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.997-108.936 4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -108.433-111.238 4.795 1.00 0.00 H new ATOM 0 HZ PHE A 117 -110.745-110.955 3.988 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.640-104.577 5.002 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.280-103.915 3.749 1.00 0.00 C ATOM 1369 C ILE A 118 -106.388-104.838 2.901 1.00 0.00 C ATOM 1370 O ILE A 118 -106.002-105.921 3.338 1.00 0.00 O ATOM 1371 CB ILE A 118 -106.646-102.531 3.950 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -105.467-102.575 4.946 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -107.746-101.543 4.408 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -104.642-101.282 4.976 1.00 0.00 C ATOM 0 H ILE A 118 -106.796-104.870 5.493 1.00 0.00 H new ATOM 0 HA ILE A 118 -108.207-103.727 3.207 1.00 0.00 H new ATOM 0 HB ILE A 118 -106.226-102.190 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -105.854-102.773 5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -104.813-103.408 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -107.310-100.555 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -108.524-101.486 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -108.180-101.891 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -103.831-101.384 5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -104.226-101.093 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -105.282-100.449 5.266 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.079-104.428 1.637 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.315-105.179 0.642 1.00 0.00 C ATOM 1388 C GLY A 119 -105.575-104.544 -0.707 1.00 0.00 C ATOM 1389 O GLY A 119 -105.992-103.391 -0.749 1.00 0.00 O ATOM 0 H GLY A 119 -106.378-103.519 1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.251-105.155 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -105.617-106.226 0.637 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.359-105.270 -1.840 1.00 0.00 N ATOM 1394 CA ASP A 120 -105.564-104.796 -3.215 1.00 0.00 C ATOM 1395 C ASP A 120 -105.734-106.003 -4.176 1.00 0.00 C ATOM 1396 O ASP A 120 -104.756-106.728 -4.353 1.00 0.00 O ATOM 1397 CB ASP A 120 -104.375-103.893 -3.694 1.00 0.00 C ATOM 1398 CG ASP A 120 -104.685-103.125 -4.989 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -105.652-102.317 -4.980 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -103.959-103.341 -5.995 1.00 0.00 O ATOM 0 H ASP A 120 -105.026-106.233 -1.806 1.00 0.00 H new ATOM 0 HA ASP A 120 -106.471-104.192 -3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -104.127-103.181 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -103.494-104.515 -3.850 1.00 0.00 H new ATOM 1405 N PRO A 121 -106.902-106.342 -4.771 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.082-107.476 -5.696 1.00 0.00 C ATOM 1407 C PRO A 121 -106.814-107.156 -7.185 1.00 0.00 C ATOM 1408 O PRO A 121 -107.132-106.064 -7.654 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.572-107.867 -5.482 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.057-107.020 -4.299 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.189-105.774 -4.403 1.00 0.00 C ATOM 0 HA PRO A 121 -106.361-108.265 -5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -109.162-107.665 -6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.671-108.931 -5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -110.118-106.783 -4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -108.916-107.534 -3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -108.560-105.078 -5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.141-105.228 -3.461 1.00 0.00 H new ATOM 1419 N VAL A 122 -106.276-108.161 -7.934 1.00 0.00 N ATOM 1420 CA VAL A 122 -106.040-108.201 -9.378 1.00 0.00 C ATOM 1421 C VAL A 122 -106.608-109.567 -9.792 1.00 0.00 C ATOM 1422 O VAL A 122 -106.553-110.498 -8.987 1.00 0.00 O ATOM 1423 CB VAL A 122 -104.553-108.040 -9.762 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -104.334-108.117 -11.294 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -104.028-106.678 -9.245 1.00 0.00 C ATOM 0 H VAL A 122 -105.977-109.029 -7.490 1.00 0.00 H new ATOM 0 HA VAL A 122 -106.516-107.367 -9.894 1.00 0.00 H new ATOM 0 HB VAL A 122 -104.006-108.863 -9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -103.274-107.999 -11.516 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -104.676-109.084 -11.662 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -104.898-107.322 -11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.978-106.566 -9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -104.607-105.871 -9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -104.128-106.637 -8.160 1.00 0.00 H new ATOM 1435 N ASP A 123 -107.176-109.732 -11.030 1.00 0.00 N ATOM 1436 CA ASP A 123 -107.709-110.998 -11.576 1.00 0.00 C ATOM 1437 C ASP A 123 -106.582-111.721 -12.327 1.00 0.00 C ATOM 1438 O ASP A 123 -105.940-111.134 -13.189 1.00 0.00 O ATOM 1439 CB ASP A 123 -109.001-110.827 -12.442 1.00 0.00 C ATOM 1440 CG ASP A 123 -108.870-109.851 -13.622 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -108.712-108.626 -13.375 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -108.940-110.327 -14.787 1.00 0.00 O ATOM 0 H ASP A 123 -107.272-108.956 -11.685 1.00 0.00 H new ATOM 0 HA ASP A 123 -108.043-111.612 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -109.292-111.804 -12.829 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -109.810-110.486 -11.796 1.00 0.00 H new ATOM 1520 N GLU A 129 -111.383-117.641 -14.265 1.00 0.00 N ATOM 1521 CA GLU A 129 -110.896-116.314 -13.925 1.00 0.00 C ATOM 1522 C GLU A 129 -110.649-116.323 -12.433 1.00 0.00 C ATOM 1523 O GLU A 129 -111.533-115.998 -11.655 1.00 0.00 O ATOM 1524 CB GLU A 129 -111.898-115.190 -14.314 1.00 0.00 C ATOM 1525 CG GLU A 129 -112.109-115.050 -15.833 1.00 0.00 C ATOM 1526 CD GLU A 129 -113.081-113.904 -16.111 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -114.270-114.026 -15.712 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -112.648-112.891 -16.724 1.00 0.00 O ATOM 0 HA GLU A 129 -109.987-116.096 -14.485 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -112.858-115.391 -13.839 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -111.538-114.241 -13.917 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -111.156-114.860 -16.327 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -112.501-115.981 -16.243 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.441-116.704 -11.936 1.00 0.00 N ATOM 1536 CA ILE A 130 -109.191-116.733 -10.489 1.00 0.00 C ATOM 1537 C ILE A 130 -108.595-115.398 -10.036 1.00 0.00 C ATOM 1538 O ILE A 130 -107.687-114.856 -10.668 1.00 0.00 O ATOM 1539 CB ILE A 130 -108.355-117.951 -10.043 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -106.867-117.950 -10.482 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -109.054-119.231 -10.562 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -105.888-117.696 -9.331 1.00 0.00 C ATOM 0 H ILE A 130 -108.648-116.988 -12.511 1.00 0.00 H new ATOM 0 HA ILE A 130 -110.149-116.862 -9.985 1.00 0.00 H new ATOM 0 HB ILE A 130 -108.314-117.907 -8.955 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -106.632-118.910 -10.943 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -106.723-117.186 -11.246 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -108.481-120.107 -10.259 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -110.059-119.292 -10.144 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -109.116-119.196 -11.650 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -104.867-117.709 -9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -106.096-116.724 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -106.004-118.474 -8.576 1.00 0.00 H new ATOM 1554 N THR A 131 -109.117-114.824 -8.918 1.00 0.00 N ATOM 1555 CA THR A 131 -108.666-113.563 -8.334 1.00 0.00 C ATOM 1556 C THR A 131 -107.738-113.923 -7.203 1.00 0.00 C ATOM 1557 O THR A 131 -108.041-114.786 -6.378 1.00 0.00 O ATOM 1558 CB THR A 131 -109.813-112.678 -7.840 1.00 0.00 C ATOM 1559 OG1 THR A 131 -110.571-112.259 -8.969 1.00 0.00 O ATOM 1560 CG2 THR A 131 -109.336-111.395 -7.118 1.00 0.00 C ATOM 0 H THR A 131 -109.883-115.249 -8.396 1.00 0.00 H new ATOM 0 HA THR A 131 -108.165-112.969 -9.098 1.00 0.00 H new ATOM 0 HB THR A 131 -110.387-113.274 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.313-111.691 -8.673 1.00 0.00 H new ATOM 0 HG21 THR A 131 -110.201-110.816 -6.795 1.00 0.00 H new ATOM 0 HG22 THR A 131 -108.737-111.668 -6.249 1.00 0.00 H new ATOM 0 HG23 THR A 131 -108.733-110.796 -7.801 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.543-113.273 -7.195 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.492-113.438 -6.216 1.00 0.00 C ATOM 1570 C ARG A 132 -105.171-112.067 -5.653 1.00 0.00 C ATOM 1571 O ARG A 132 -105.007-111.092 -6.392 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.268-114.143 -6.854 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.176-114.537 -5.839 1.00 0.00 C ATOM 1574 CD ARG A 132 -102.304-115.711 -6.306 1.00 0.00 C ATOM 1575 NE ARG A 132 -103.162-116.950 -6.314 1.00 0.00 N ATOM 1576 CZ ARG A 132 -102.781-118.136 -6.880 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -101.580-118.259 -7.514 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -103.623-119.210 -6.808 1.00 0.00 N ATOM 0 H ARG A 132 -106.298-112.593 -7.915 1.00 0.00 H new ATOM 0 HA ARG A 132 -105.806-114.083 -5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -104.607-115.039 -7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.832-113.484 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -102.538-113.674 -5.649 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -103.648-114.799 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -101.904-115.517 -7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -101.451-115.842 -5.640 1.00 0.00 H new ATOM 0 HE ARG A 132 -104.080-116.902 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -100.950-117.459 -7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -101.312-119.151 -7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -104.523-119.122 -6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -103.351-120.100 -7.226 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.084-111.943 -4.306 1.00 0.00 N ATOM 1593 CA ILE A 133 -104.787-110.668 -3.650 1.00 0.00 C ATOM 1594 C ILE A 133 -103.680-110.931 -2.669 1.00 0.00 C ATOM 1595 O ILE A 133 -103.629-111.973 -2.012 1.00 0.00 O ATOM 1596 CB ILE A 133 -105.992-109.926 -3.001 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -105.835-109.394 -1.537 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.290-110.718 -3.224 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -107.037-108.607 -1.015 1.00 0.00 C ATOM 0 H ILE A 133 -105.218-112.721 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 133 -104.489-109.960 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 133 -106.035-108.981 -3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -105.655-110.240 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -104.951-108.758 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.124-110.187 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -107.472-110.824 -4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -107.196-111.706 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -106.841-108.277 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -107.207-107.738 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -107.922-109.244 -1.027 1.00 0.00 H new