USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 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 HD1:sc= -1.92 K(o=-1.9,f=-2.7) USER MOD Set 1.2: A 110 TYR OH : rot -38:sc= 0.023 USER MOD Set 2.1: A 44 THR OG1 : rot -59:sc= 1.05 USER MOD Set 2.2: A 67 THR OG1 : rot 180:sc= 0.91 USER MOD Single : A 46 GLN : amide:sc= 0.326 K(o=0.33,f=-2.8!) 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 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 40:sc= 0.6 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -130:sc= -0.325 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0917) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= -0.328 (180deg=-0.328) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 131 THR OG1 : rot 170:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -111.874-124.247 1.178 1.00 0.00 N ATOM 114 CA ASP A 41 -113.090-124.248 1.998 1.00 0.00 C ATOM 115 C ASP A 41 -114.052-123.154 1.529 1.00 0.00 C ATOM 116 O ASP A 41 -113.697-122.285 0.732 1.00 0.00 O ATOM 117 CB ASP A 41 -112.764-124.094 3.524 1.00 0.00 C ATOM 118 CG ASP A 41 -113.854-124.647 4.455 1.00 0.00 C ATOM 119 OD1 ASP A 41 -114.176-125.859 4.336 1.00 0.00 O ATOM 120 OD2 ASP A 41 -114.367-123.862 5.297 1.00 0.00 O ATOM 0 HA ASP A 41 -113.576-125.215 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -111.825-124.604 3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.611-123.038 3.748 1.00 0.00 H new ATOM 125 N VAL A 42 -115.302-123.174 2.074 1.00 0.00 N ATOM 126 CA VAL A 42 -116.403-122.226 1.849 1.00 0.00 C ATOM 127 C VAL A 42 -116.392-121.221 3.006 1.00 0.00 C ATOM 128 O VAL A 42 -116.359-121.632 4.159 1.00 0.00 O ATOM 129 CB VAL A 42 -117.757-122.965 1.824 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.940-122.012 1.530 1.00 0.00 C ATOM 131 CG2 VAL A 42 -117.726-124.087 0.763 1.00 0.00 C ATOM 0 H VAL A 42 -115.573-123.910 2.726 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.272-121.723 0.891 1.00 0.00 H new ATOM 0 HB VAL A 42 -117.910-123.390 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.871-122.579 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -118.989-121.244 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -118.795-121.541 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -118.686-124.604 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -117.536-123.654 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -116.935-124.796 1.006 1.00 0.00 H new ATOM 141 N ILE A 43 -116.390-119.879 2.785 1.00 0.00 N ATOM 142 CA ILE A 43 -116.327-118.869 3.863 1.00 0.00 C ATOM 143 C ILE A 43 -117.389-117.766 3.678 1.00 0.00 C ATOM 144 O ILE A 43 -117.991-117.671 2.610 1.00 0.00 O ATOM 145 CB ILE A 43 -114.903-118.304 4.025 1.00 0.00 C ATOM 146 CG1 ILE A 43 -114.348-117.714 2.711 1.00 0.00 C ATOM 147 CG2 ILE A 43 -113.983-119.435 4.562 1.00 0.00 C ATOM 148 CD1 ILE A 43 -112.977-117.043 2.881 1.00 0.00 C ATOM 0 H ILE A 43 -116.432-119.472 1.851 1.00 0.00 H new ATOM 0 HA ILE A 43 -116.570-119.371 4.799 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.935-117.477 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -114.267-118.508 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -115.057-116.984 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -112.969-119.053 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -114.357-119.782 5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -113.976-120.265 3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.643-116.649 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -113.058-116.227 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -112.256-117.776 3.243 1.00 0.00 H new ATOM 160 N THR A 44 -117.622-116.895 4.720 1.00 0.00 N ATOM 161 CA THR A 44 -118.620-115.801 4.711 1.00 0.00 C ATOM 162 C THR A 44 -117.937-114.451 4.749 1.00 0.00 C ATOM 163 O THR A 44 -117.170-114.159 5.670 1.00 0.00 O ATOM 164 CB THR A 44 -119.624-115.838 5.888 1.00 0.00 C ATOM 165 OG1 THR A 44 -120.459-116.980 5.794 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.597-114.632 5.929 1.00 0.00 C ATOM 0 H THR A 44 -117.104-116.948 5.597 1.00 0.00 H new ATOM 0 HA THR A 44 -119.177-115.952 3.786 1.00 0.00 H new ATOM 0 HB THR A 44 -118.993-115.834 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.947-116.959 4.945 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.267-114.734 6.783 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.027-113.708 6.023 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.182-114.605 5.010 1.00 0.00 H new ATOM 174 N PHE A 45 -118.241-113.578 3.755 1.00 0.00 N ATOM 175 CA PHE A 45 -117.726-112.201 3.692 1.00 0.00 C ATOM 176 C PHE A 45 -118.779-111.149 4.043 1.00 0.00 C ATOM 177 O PHE A 45 -119.932-111.228 3.589 1.00 0.00 O ATOM 178 CB PHE A 45 -117.197-111.893 2.287 1.00 0.00 C ATOM 179 CG PHE A 45 -115.929-112.665 2.055 1.00 0.00 C ATOM 180 CD1 PHE A 45 -115.932-113.936 1.506 1.00 0.00 C ATOM 181 CD2 PHE A 45 -114.717-112.057 2.291 1.00 0.00 C ATOM 182 CE1 PHE A 45 -114.770-114.561 1.135 1.00 0.00 C ATOM 183 CE2 PHE A 45 -113.545-112.693 1.949 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.568-113.940 1.358 1.00 0.00 C ATOM 0 H PHE A 45 -118.853-113.818 2.975 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.929-112.147 4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.942-112.161 1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -117.010-110.824 2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -116.873-114.447 1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -114.685-111.078 2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -114.801-115.535 0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -112.598-112.212 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 45 -112.645-114.424 1.073 1.00 0.00 H new ATOM 194 N GLN A 46 -118.358-110.131 4.862 1.00 0.00 N ATOM 195 CA GLN A 46 -119.155-109.032 5.390 1.00 0.00 C ATOM 196 C GLN A 46 -118.401-107.697 5.186 1.00 0.00 C ATOM 197 O GLN A 46 -117.192-107.674 4.940 1.00 0.00 O ATOM 198 CB GLN A 46 -119.508-109.297 6.895 1.00 0.00 C ATOM 199 CG GLN A 46 -120.171-110.688 7.174 1.00 0.00 C ATOM 200 CD GLN A 46 -120.556-110.871 8.651 1.00 0.00 C ATOM 201 OE1 GLN A 46 -120.273-109.990 9.463 1.00 0.00 O ATOM 202 NE2 GLN A 46 -121.196-112.019 9.016 1.00 0.00 N ATOM 0 H GLN A 46 -117.389-110.077 5.175 1.00 0.00 H new ATOM 0 HA GLN A 46 -120.098-108.962 4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -118.597-109.218 7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -120.181-108.512 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -121.061-110.793 6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -119.483-111.480 6.880 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -121.414-112.727 8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -121.457-112.170 9.991 1.00 0.00 H new ATOM 211 N SER A 47 -119.114-106.539 5.285 1.00 0.00 N ATOM 212 CA SER A 47 -118.571-105.186 5.113 1.00 0.00 C ATOM 213 C SER A 47 -119.240-104.247 6.141 1.00 0.00 C ATOM 214 O SER A 47 -120.318-104.532 6.678 1.00 0.00 O ATOM 215 CB SER A 47 -118.869-104.663 3.670 1.00 0.00 C ATOM 216 OG SER A 47 -118.204-103.439 3.342 1.00 0.00 O ATOM 0 H SER A 47 -120.112-106.536 5.494 1.00 0.00 H new ATOM 0 HA SER A 47 -117.492-105.209 5.265 1.00 0.00 H new ATOM 0 HB2 SER A 47 -118.575-105.427 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 47 -119.944-104.520 3.562 1.00 0.00 H new ATOM 0 HG SER A 47 -118.436-103.176 2.427 1.00 0.00 H new ATOM 222 N TYR A 48 -118.605-103.075 6.404 1.00 0.00 N ATOM 223 CA TYR A 48 -119.018-102.001 7.291 1.00 0.00 C ATOM 224 C TYR A 48 -119.123-100.752 6.411 1.00 0.00 C ATOM 225 O TYR A 48 -118.171-100.406 5.710 1.00 0.00 O ATOM 226 CB TYR A 48 -117.904-101.836 8.371 1.00 0.00 C ATOM 227 CG TYR A 48 -118.266-101.074 9.625 1.00 0.00 C ATOM 228 CD1 TYR A 48 -119.564-100.916 10.088 1.00 0.00 C ATOM 229 CD2 TYR A 48 -117.229-100.597 10.406 1.00 0.00 C ATOM 230 CE1 TYR A 48 -119.815-100.300 11.299 1.00 0.00 C ATOM 231 CE2 TYR A 48 -117.477 -99.993 11.621 1.00 0.00 C ATOM 232 CZ TYR A 48 -118.768 -99.851 12.076 1.00 0.00 C ATOM 233 OH TYR A 48 -118.995 -99.279 13.344 1.00 0.00 O ATOM 0 H TYR A 48 -117.717-102.857 5.953 1.00 0.00 H new ATOM 0 HA TYR A 48 -119.967-102.187 7.794 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.568-102.831 8.665 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.054-101.337 7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -120.389-101.279 9.494 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.211-100.699 10.060 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -120.832-100.170 11.637 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -116.654 -99.630 12.218 1.00 0.00 H new ATOM 0 HH TYR A 48 -118.139 -99.022 13.745 1.00 0.00 H new ATOM 431 N TRP A 62 -123.952-102.573 9.442 1.00 0.00 N ATOM 432 CA TRP A 62 -123.189-103.790 9.297 1.00 0.00 C ATOM 433 C TRP A 62 -124.074-104.689 8.432 1.00 0.00 C ATOM 434 O TRP A 62 -125.260-104.875 8.714 1.00 0.00 O ATOM 435 CB TRP A 62 -122.910-104.433 10.697 1.00 0.00 C ATOM 436 CG TRP A 62 -121.596-104.007 11.341 1.00 0.00 C ATOM 437 CD1 TRP A 62 -121.308-103.325 12.492 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.333-104.410 10.799 1.00 0.00 C ATOM 439 NE1 TRP A 62 -119.948-103.286 12.692 1.00 0.00 N ATOM 440 CE2 TRP A 62 -119.348-103.952 11.662 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.023-105.115 9.678 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.042-104.190 11.426 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -118.688-105.370 9.434 1.00 0.00 C ATOM 444 CH2 TRP A 62 -117.708-104.907 10.296 1.00 0.00 C ATOM 0 HA TRP A 62 -122.211-103.626 8.845 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -123.729-104.177 11.369 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -122.912-105.518 10.591 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -122.042-102.882 13.148 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -119.470-102.838 13.474 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -120.792-105.462 9.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -117.280-103.830 12.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.405-105.938 8.560 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -116.669-105.110 10.081 1.00 0.00 H new ATOM 455 N VAL A 63 -123.502-105.255 7.336 1.00 0.00 N ATOM 456 CA VAL A 63 -124.210-106.134 6.420 1.00 0.00 C ATOM 457 C VAL A 63 -123.261-107.217 5.944 1.00 0.00 C ATOM 458 O VAL A 63 -122.037-107.048 5.950 1.00 0.00 O ATOM 459 CB VAL A 63 -124.870-105.356 5.268 1.00 0.00 C ATOM 460 CG1 VAL A 63 -123.869-104.881 4.188 1.00 0.00 C ATOM 461 CG2 VAL A 63 -126.044-106.151 4.651 1.00 0.00 C ATOM 0 H VAL A 63 -122.527-105.101 7.078 1.00 0.00 H new ATOM 0 HA VAL A 63 -125.037-106.613 6.943 1.00 0.00 H new ATOM 0 HB VAL A 63 -125.274-104.446 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -124.405-104.340 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -123.128-104.223 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -123.368-105.745 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -126.488-105.573 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -125.676-107.100 4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -126.797-106.341 5.416 1.00 0.00 H new ATOM 471 N ASP A 64 -123.840-108.360 5.489 1.00 0.00 N ATOM 472 CA ASP A 64 -123.168-109.511 4.892 1.00 0.00 C ATOM 473 C ASP A 64 -123.220-109.355 3.379 1.00 0.00 C ATOM 474 O ASP A 64 -124.252-108.981 2.837 1.00 0.00 O ATOM 475 CB ASP A 64 -123.735-110.892 5.368 1.00 0.00 C ATOM 476 CG ASP A 64 -125.249-111.076 5.161 1.00 0.00 C ATOM 477 OD1 ASP A 64 -126.040-110.385 5.858 1.00 0.00 O ATOM 478 OD2 ASP A 64 -125.626-111.921 4.306 1.00 0.00 O ATOM 0 H ASP A 64 -124.850-108.495 5.539 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.133-109.522 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -123.211-111.686 4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -123.510-111.015 6.427 1.00 0.00 H new ATOM 483 N GLU A 65 -122.094-109.598 2.664 1.00 0.00 N ATOM 484 CA GLU A 65 -121.930-109.411 1.231 1.00 0.00 C ATOM 485 C GLU A 65 -122.338-110.647 0.459 1.00 0.00 C ATOM 486 O GLU A 65 -123.158-110.602 -0.455 1.00 0.00 O ATOM 487 CB GLU A 65 -120.439-109.122 0.875 1.00 0.00 C ATOM 488 CG GLU A 65 -119.768-107.963 1.621 1.00 0.00 C ATOM 489 CD GLU A 65 -120.327-106.619 1.163 1.00 0.00 C ATOM 490 OE1 GLU A 65 -121.451-106.256 1.604 1.00 0.00 O ATOM 491 OE2 GLU A 65 -119.628-105.928 0.375 1.00 0.00 O ATOM 0 H GLU A 65 -121.244-109.946 3.108 1.00 0.00 H new ATOM 0 HA GLU A 65 -122.565-108.569 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.862-110.028 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -120.377-108.920 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -119.923-108.078 2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -118.692-107.990 1.450 1.00 0.00 H new ATOM 498 N PHE A 66 -121.695-111.781 0.819 1.00 0.00 N ATOM 499 CA PHE A 66 -121.871-113.045 0.140 1.00 0.00 C ATOM 500 C PHE A 66 -121.235-114.115 1.015 1.00 0.00 C ATOM 501 O PHE A 66 -120.513-113.840 1.975 1.00 0.00 O ATOM 502 CB PHE A 66 -121.272-113.053 -1.333 1.00 0.00 C ATOM 503 CG PHE A 66 -119.778-112.778 -1.394 1.00 0.00 C ATOM 504 CD1 PHE A 66 -119.265-111.498 -1.328 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.888-113.827 -1.392 1.00 0.00 C ATOM 506 CE1 PHE A 66 -117.933-111.283 -1.036 1.00 0.00 C ATOM 507 CE2 PHE A 66 -117.548-113.621 -1.153 1.00 0.00 C ATOM 508 CZ PHE A 66 -117.062-112.350 -0.901 1.00 0.00 C ATOM 0 H PHE A 66 -121.038-111.824 1.598 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.935-113.238 0.002 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -121.472-114.022 -1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -121.793-112.305 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -119.914-110.654 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -119.246-114.828 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -117.568-110.274 -0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.869-114.460 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 66 -116.034-112.195 -0.608 1.00 0.00 H new ATOM 518 N THR A 67 -121.432-115.387 0.616 1.00 0.00 N ATOM 519 CA THR A 67 -120.778-116.555 1.188 1.00 0.00 C ATOM 520 C THR A 67 -120.324-117.232 -0.077 1.00 0.00 C ATOM 521 O THR A 67 -121.080-117.355 -1.038 1.00 0.00 O ATOM 522 CB THR A 67 -121.694-117.442 2.045 1.00 0.00 C ATOM 523 OG1 THR A 67 -121.832-116.877 3.344 1.00 0.00 O ATOM 524 CG2 THR A 67 -121.184-118.882 2.264 1.00 0.00 C ATOM 0 H THR A 67 -122.075-115.625 -0.139 1.00 0.00 H new ATOM 0 HA THR A 67 -119.991-116.317 1.903 1.00 0.00 H new ATOM 0 HB THR A 67 -122.628-117.488 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 67 -122.418-117.445 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 67 -121.897-119.431 2.880 1.00 0.00 H new ATOM 0 HG22 THR A 67 -121.077-119.381 1.301 1.00 0.00 H new ATOM 0 HG23 THR A 67 -120.217-118.853 2.766 1.00 0.00 H new ATOM 532 N ALA A 68 -119.058-117.657 -0.118 1.00 0.00 N ATOM 533 CA ALA A 68 -118.480-118.244 -1.329 1.00 0.00 C ATOM 534 C ALA A 68 -117.293-119.127 -1.044 1.00 0.00 C ATOM 535 O ALA A 68 -116.705-119.095 0.035 1.00 0.00 O ATOM 536 CB ALA A 68 -118.106-117.199 -2.410 1.00 0.00 C ATOM 0 H ALA A 68 -118.415-117.605 0.672 1.00 0.00 H new ATOM 0 HA ALA A 68 -119.282-118.862 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -117.684-117.707 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -118.999-116.650 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -117.372-116.503 -2.005 1.00 0.00 H new ATOM 542 N ALA A 69 -116.879-119.953 -2.051 1.00 0.00 N ATOM 543 CA ALA A 69 -115.689-120.796 -1.986 1.00 0.00 C ATOM 544 C ALA A 69 -114.458-119.940 -2.326 1.00 0.00 C ATOM 545 O ALA A 69 -114.324-119.380 -3.411 1.00 0.00 O ATOM 546 CB ALA A 69 -115.831-121.999 -2.947 1.00 0.00 C ATOM 0 H ALA A 69 -117.383-120.038 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.569-121.200 -0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.937-122.619 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.702-122.590 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.955-121.637 -3.968 1.00 0.00 H new ATOM 552 N ALA A 70 -113.597-119.783 -1.294 1.00 0.00 N ATOM 553 CA ALA A 70 -112.435-118.927 -1.260 1.00 0.00 C ATOM 554 C ALA A 70 -111.782-119.185 0.081 1.00 0.00 C ATOM 555 O ALA A 70 -112.376-119.784 0.972 1.00 0.00 O ATOM 556 CB ALA A 70 -112.767-117.418 -1.320 1.00 0.00 C ATOM 0 H ALA A 70 -113.722-120.291 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.815-119.151 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.843-116.841 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.301-117.200 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -113.391-117.149 -0.468 1.00 0.00 H new ATOM 562 N HIS A 71 -110.557-118.664 0.292 1.00 0.00 N ATOM 563 CA HIS A 71 -109.917-118.698 1.594 1.00 0.00 C ATOM 564 C HIS A 71 -109.092-117.424 1.731 1.00 0.00 C ATOM 565 O HIS A 71 -108.288-117.137 0.844 1.00 0.00 O ATOM 566 CB HIS A 71 -109.075-119.981 1.775 1.00 0.00 C ATOM 567 CG HIS A 71 -109.455-120.833 2.946 1.00 0.00 C ATOM 568 ND1 HIS A 71 -108.537-121.587 3.642 1.00 0.00 N ATOM 569 CD2 HIS A 71 -110.645-121.026 3.575 1.00 0.00 C ATOM 570 CE1 HIS A 71 -109.200-122.182 4.657 1.00 0.00 C ATOM 571 NE2 HIS A 71 -110.478-121.873 4.655 1.00 0.00 N ATOM 0 H HIS A 71 -110.000-118.216 -0.435 1.00 0.00 H new ATOM 0 HA HIS A 71 -110.661-118.732 2.390 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -109.156-120.581 0.868 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -108.027-119.698 1.877 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -111.583-120.583 3.275 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -108.736-122.833 5.383 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -111.193-122.190 5.310 1.00 0.00 H new ATOM 579 N VAL A 72 -109.261-116.652 2.850 1.00 0.00 N ATOM 580 CA VAL A 72 -108.535-115.414 3.202 1.00 0.00 C ATOM 581 C VAL A 72 -107.553-115.793 4.324 1.00 0.00 C ATOM 582 O VAL A 72 -107.952-115.843 5.486 1.00 0.00 O ATOM 583 CB VAL A 72 -109.452-114.262 3.724 1.00 0.00 C ATOM 584 CG1 VAL A 72 -108.645-113.033 4.184 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.514-113.682 2.765 1.00 0.00 C ATOM 0 H VAL A 72 -109.948-116.901 3.561 1.00 0.00 H new ATOM 0 HA VAL A 72 -108.054-115.035 2.300 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.967-114.793 4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -109.328-112.261 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -107.973-113.321 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -108.062-112.647 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.069-112.893 3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -110.022-113.271 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -111.201-114.472 2.462 1.00 0.00 H new ATOM 595 N GLN A 73 -106.243-116.034 4.040 1.00 0.00 N ATOM 596 CA GLN A 73 -105.258-116.496 5.014 1.00 0.00 C ATOM 597 C GLN A 73 -104.326-115.381 5.496 1.00 0.00 C ATOM 598 O GLN A 73 -103.812-114.656 4.644 1.00 0.00 O ATOM 599 CB GLN A 73 -104.415-117.575 4.294 1.00 0.00 C ATOM 600 CG GLN A 73 -103.286-118.245 5.098 1.00 0.00 C ATOM 601 CD GLN A 73 -102.454-119.064 4.112 1.00 0.00 C ATOM 602 OE1 GLN A 73 -101.621-118.498 3.395 1.00 0.00 O ATOM 603 NE2 GLN A 73 -102.705-120.395 4.062 1.00 0.00 N ATOM 0 H GLN A 73 -105.852-115.905 3.107 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.775-116.871 5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -105.092-118.356 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -103.973-117.121 3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -102.669-117.495 5.592 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -103.697-118.885 5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -103.405-120.805 4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -102.194-120.986 3.407 1.00 0.00 H new ATOM 612 N PRO A 74 -104.080-115.120 6.806 1.00 0.00 N ATOM 613 CA PRO A 74 -103.081-114.153 7.297 1.00 0.00 C ATOM 614 C PRO A 74 -101.628-114.647 7.099 1.00 0.00 C ATOM 615 O PRO A 74 -101.353-115.831 7.289 1.00 0.00 O ATOM 616 CB PRO A 74 -103.462-113.998 8.785 1.00 0.00 C ATOM 617 CG PRO A 74 -104.058-115.350 9.195 1.00 0.00 C ATOM 618 CD PRO A 74 -104.719-115.850 7.905 1.00 0.00 C ATOM 0 HA PRO A 74 -103.097-113.208 6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -102.589-113.753 9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -104.183-113.192 8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -103.289-116.039 9.546 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -104.782-115.242 10.002 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -104.582-116.925 7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -105.793-115.666 7.922 1.00 0.00 H new ATOM 626 N ILE A 75 -100.646-113.772 6.735 1.00 0.00 N ATOM 627 CA ILE A 75 -99.230-114.160 6.527 1.00 0.00 C ATOM 628 C ILE A 75 -98.416-114.317 7.825 1.00 0.00 C ATOM 629 O ILE A 75 -97.397-113.658 8.025 1.00 0.00 O ATOM 630 CB ILE A 75 -98.489-113.234 5.550 1.00 0.00 C ATOM 631 CG1 ILE A 75 -98.733-111.732 5.837 1.00 0.00 C ATOM 632 CG2 ILE A 75 -98.944-113.600 4.124 1.00 0.00 C ATOM 633 CD1 ILE A 75 -97.618-110.820 5.312 1.00 0.00 C ATOM 0 H ILE A 75 -100.820-112.779 6.579 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.303-115.150 6.076 1.00 0.00 H new ATOM 0 HB ILE A 75 -97.416-113.383 5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -99.679-111.433 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -98.833-111.587 6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -98.435-112.959 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -98.698-114.642 3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -100.021-113.458 4.038 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -97.855-109.783 5.548 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -96.673-111.093 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -97.532-110.936 4.232 1.00 0.00 H new ATOM 894 N GLY A 91 -100.842-108.450 7.176 1.00 0.00 N ATOM 895 CA GLY A 91 -101.535-108.543 5.908 1.00 0.00 C ATOM 896 C GLY A 91 -102.005-109.932 5.623 1.00 0.00 C ATOM 897 O GLY A 91 -101.868-110.856 6.429 1.00 0.00 O ATOM 0 HA2 GLY A 91 -102.389-107.866 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.871-108.214 5.108 1.00 0.00 H new ATOM 901 N TYR A 92 -102.582-110.087 4.405 1.00 0.00 N ATOM 902 CA TYR A 92 -103.180-111.308 3.875 1.00 0.00 C ATOM 903 C TYR A 92 -102.559-111.794 2.598 1.00 0.00 C ATOM 904 O TYR A 92 -102.081-111.037 1.747 1.00 0.00 O ATOM 905 CB TYR A 92 -104.726-111.252 3.606 1.00 0.00 C ATOM 906 CG TYR A 92 -105.360-111.095 4.927 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.381-109.905 5.623 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.829-112.232 5.511 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.846-109.892 6.914 1.00 0.00 C ATOM 910 CE2 TYR A 92 -106.296-112.235 6.791 1.00 0.00 C ATOM 911 CZ TYR A 92 -106.314-111.049 7.491 1.00 0.00 C ATOM 912 OH TYR A 92 -106.868-110.951 8.770 1.00 0.00 O ATOM 0 H TYR A 92 -102.638-109.314 3.742 1.00 0.00 H new ATOM 0 HA TYR A 92 -102.979-111.993 4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -104.978-110.419 2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.070-112.161 3.113 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -105.036-108.994 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -105.831-113.153 4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.844-108.971 7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.645-113.149 7.248 1.00 0.00 H new ATOM 0 HH TYR A 92 -107.408-110.135 8.831 1.00 0.00 H new ATOM 922 N ASN A 93 -102.700-113.133 2.465 1.00 0.00 N ATOM 923 CA ASN A 93 -102.417-113.909 1.266 1.00 0.00 C ATOM 924 C ASN A 93 -103.769-114.578 1.010 1.00 0.00 C ATOM 925 O ASN A 93 -104.305-115.278 1.870 1.00 0.00 O ATOM 926 CB ASN A 93 -101.290-114.952 1.553 1.00 0.00 C ATOM 927 CG ASN A 93 -100.731-115.607 0.286 1.00 0.00 C ATOM 928 OD1 ASN A 93 -101.120-116.713 -0.091 1.00 0.00 O ATOM 929 ND2 ASN A 93 -99.779-114.918 -0.397 1.00 0.00 N ATOM 0 H ASN A 93 -103.030-113.716 3.234 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.056-113.330 0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -100.477-114.460 2.088 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.682-115.727 2.212 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -99.370-115.315 -1.243 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -99.474-114.003 -0.064 1.00 0.00 H new ATOM 936 N ILE A 94 -104.413-114.349 -0.161 1.00 0.00 N ATOM 937 CA ILE A 94 -105.781-114.820 -0.358 1.00 0.00 C ATOM 938 C ILE A 94 -106.056-115.202 -1.799 1.00 0.00 C ATOM 939 O ILE A 94 -105.615-114.530 -2.742 1.00 0.00 O ATOM 940 CB ILE A 94 -106.787-113.800 0.232 1.00 0.00 C ATOM 941 CG1 ILE A 94 -108.287-113.994 -0.127 1.00 0.00 C ATOM 942 CG2 ILE A 94 -106.324-112.336 0.070 1.00 0.00 C ATOM 943 CD1 ILE A 94 -108.776-113.307 -1.397 1.00 0.00 C ATOM 0 H ILE A 94 -104.009-113.853 -0.956 1.00 0.00 H new ATOM 0 HA ILE A 94 -105.916-115.749 0.196 1.00 0.00 H new ATOM 0 HB ILE A 94 -106.764-114.045 1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.480-115.063 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -108.887-113.634 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -107.070-111.669 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -105.372-112.197 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -106.203-112.108 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -109.836-113.517 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -108.628-112.231 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -108.214-113.682 -2.253 1.00 0.00 H new ATOM 955 N TYR A 95 -106.876-116.292 -1.990 1.00 0.00 N ATOM 956 CA TYR A 95 -107.393-116.718 -3.282 1.00 0.00 C ATOM 957 C TYR A 95 -108.918-116.619 -3.195 1.00 0.00 C ATOM 958 O TYR A 95 -109.545-116.963 -2.185 1.00 0.00 O ATOM 959 CB TYR A 95 -106.849-118.135 -3.760 1.00 0.00 C ATOM 960 CG TYR A 95 -107.862-119.269 -3.919 1.00 0.00 C ATOM 961 CD1 TYR A 95 -108.457-119.800 -2.792 1.00 0.00 C ATOM 962 CD2 TYR A 95 -108.381-119.620 -5.154 1.00 0.00 C ATOM 963 CE1 TYR A 95 -109.551-120.629 -2.879 1.00 0.00 C ATOM 964 CE2 TYR A 95 -109.468-120.469 -5.251 1.00 0.00 C ATOM 965 CZ TYR A 95 -110.056-120.979 -4.113 1.00 0.00 C ATOM 966 OH TYR A 95 -111.191-121.808 -4.213 1.00 0.00 O ATOM 0 H TYR A 95 -107.183-116.888 -1.221 1.00 0.00 H new ATOM 0 HA TYR A 95 -107.026-116.064 -4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -106.348-117.996 -4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -106.090-118.460 -3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -108.054-119.559 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -107.931-119.225 -6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -110.015-121.006 -1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -109.858-120.734 -6.223 1.00 0.00 H new ATOM 0 HH TYR A 95 -111.409-121.951 -5.158 1.00 0.00 H new ATOM 976 N THR A 96 -109.548-116.176 -4.306 1.00 0.00 N ATOM 977 CA THR A 96 -110.993-116.249 -4.523 1.00 0.00 C ATOM 978 C THR A 96 -111.097-116.654 -5.995 1.00 0.00 C ATOM 979 O THR A 96 -110.168-116.308 -6.728 1.00 0.00 O ATOM 980 CB THR A 96 -111.665-114.931 -4.147 1.00 0.00 C ATOM 981 OG1 THR A 96 -111.474-114.745 -2.752 1.00 0.00 O ATOM 982 CG2 THR A 96 -113.182-114.874 -4.406 1.00 0.00 C ATOM 0 H THR A 96 -109.048-115.751 -5.087 1.00 0.00 H new ATOM 0 HA THR A 96 -111.523-116.966 -3.896 1.00 0.00 H new ATOM 0 HB THR A 96 -111.212-114.163 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 96 -112.333-114.533 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 96 -113.566-113.899 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 96 -113.376-115.030 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 96 -113.679-115.653 -3.828 1.00 0.00 H new ATOM 990 N PRO A 97 -112.068-117.422 -6.550 1.00 0.00 N ATOM 991 CA PRO A 97 -112.152-117.731 -7.986 1.00 0.00 C ATOM 992 C PRO A 97 -112.682-116.517 -8.775 1.00 0.00 C ATOM 993 O PRO A 97 -113.621-115.859 -8.322 1.00 0.00 O ATOM 994 CB PRO A 97 -113.100-118.947 -8.030 1.00 0.00 C ATOM 995 CG PRO A 97 -114.040-118.723 -6.842 1.00 0.00 C ATOM 996 CD PRO A 97 -113.112-118.101 -5.794 1.00 0.00 C ATOM 0 HA PRO A 97 -111.191-117.954 -8.450 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -113.649-118.992 -8.971 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -112.552-119.885 -7.935 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.865-118.059 -7.098 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -114.479-119.657 -6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -113.653-117.401 -5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.690-118.865 -5.141 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.026-116.222 -9.928 1.00 0.00 N ATOM 1005 CA TYR A 98 -112.074-115.209 -10.999 1.00 0.00 C ATOM 1006 C TYR A 98 -112.760-113.838 -10.853 1.00 0.00 C ATOM 1007 O TYR A 98 -112.634-112.949 -11.693 1.00 0.00 O ATOM 1008 CB TYR A 98 -112.533-115.896 -12.323 1.00 0.00 C ATOM 1009 CG TYR A 98 -111.891-115.395 -13.604 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -110.792-114.541 -13.660 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -112.442-115.831 -14.797 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -110.327-114.074 -14.869 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -111.960-115.387 -16.007 1.00 0.00 C ATOM 1014 CZ TYR A 98 -110.925-114.482 -16.040 1.00 0.00 C ATOM 1015 OH TYR A 98 -110.455-114.014 -17.277 1.00 0.00 O ATOM 0 H TYR A 98 -111.267-116.859 -10.170 1.00 0.00 H new ATOM 0 HA TYR A 98 -111.041-114.863 -10.959 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -112.337-116.965 -12.238 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -113.613-115.776 -12.413 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -110.300-114.242 -12.746 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -113.264-116.531 -14.778 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -109.493-113.388 -14.899 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -112.393-115.748 -16.928 1.00 0.00 H new ATOM 0 HH TYR A 98 -110.991-114.404 -17.999 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.523-113.654 -9.769 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.290-112.484 -9.382 1.00 0.00 C ATOM 1027 C ASP A 99 -113.611-111.707 -8.256 1.00 0.00 C ATOM 1028 O ASP A 99 -112.794-112.219 -7.485 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.764-112.877 -9.054 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.742-111.699 -9.171 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -116.849-111.133 -10.291 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -117.392-111.354 -8.148 1.00 0.00 O ATOM 0 H ASP A 99 -113.622-114.399 -9.079 1.00 0.00 H new ATOM 0 HA ASP A 99 -114.325-111.800 -10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -116.080-113.672 -9.729 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.810-113.280 -8.042 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.951-110.405 -8.127 1.00 0.00 N ATOM 1038 CA ASP A 100 -113.438-109.506 -7.102 1.00 0.00 C ATOM 1039 C ASP A 100 -114.436-109.452 -5.955 1.00 0.00 C ATOM 1040 O ASP A 100 -115.056-108.421 -5.702 1.00 0.00 O ATOM 1041 CB ASP A 100 -113.177-108.078 -7.665 1.00 0.00 C ATOM 1042 CG ASP A 100 -112.262-108.160 -8.893 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -111.159-108.759 -8.782 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -112.661-107.628 -9.964 1.00 0.00 O ATOM 0 H ASP A 100 -114.610-109.950 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 100 -112.481-109.888 -6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -114.122-107.606 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -112.717-107.454 -6.899 1.00 0.00 H new ATOM 1049 N ARG A 101 -114.629-110.596 -5.228 1.00 0.00 N ATOM 1050 CA ARG A 101 -115.597-110.731 -4.133 1.00 0.00 C ATOM 1051 C ARG A 101 -115.120-110.061 -2.837 1.00 0.00 C ATOM 1052 O ARG A 101 -115.815-109.224 -2.261 1.00 0.00 O ATOM 1053 CB ARG A 101 -116.016-112.209 -3.953 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.350-112.924 -5.270 1.00 0.00 C ATOM 1055 CD ARG A 101 -116.936-114.331 -5.074 1.00 0.00 C ATOM 1056 NE ARG A 101 -117.271-114.869 -6.440 1.00 0.00 N ATOM 1057 CZ ARG A 101 -117.307-116.199 -6.760 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -117.090-117.158 -5.817 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -117.558-116.567 -8.052 1.00 0.00 N ATOM 0 H ARG A 101 -114.101-111.451 -5.402 1.00 0.00 H new ATOM 0 HA ARG A 101 -116.497-110.181 -4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.211-112.747 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.885-112.253 -3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -117.061-112.319 -5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -115.445-112.997 -5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -116.219-114.979 -4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -117.827-114.293 -4.447 1.00 0.00 H new ATOM 0 HE ARG A 101 -117.486-114.197 -7.176 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -116.896-116.890 -4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -117.121-118.144 -6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -117.716-115.854 -8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -117.588-117.555 -8.304 1.00 0.00 H new ATOM 1073 N ILE A 102 -113.853-110.365 -2.426 1.00 0.00 N ATOM 1074 CA ILE A 102 -113.005-109.736 -1.445 1.00 0.00 C ATOM 1075 C ILE A 102 -112.627-108.270 -1.744 1.00 0.00 C ATOM 1076 O ILE A 102 -112.573-107.826 -2.894 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.756-110.615 -1.375 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -110.755-110.508 -2.573 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -112.247-112.059 -1.144 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -111.263-110.881 -3.972 1.00 0.00 C ATOM 0 H ILE A 102 -113.371-111.160 -2.846 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.545-109.666 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 102 -111.140-110.251 -0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -110.391-109.482 -2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -109.897-111.142 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -111.390-112.730 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -112.809-112.107 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -112.889-112.362 -1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -110.458-110.757 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -111.596-111.919 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -112.097-110.232 -4.241 1.00 0.00 H new ATOM 1092 N ASP A 103 -112.365-107.465 -0.681 1.00 0.00 N ATOM 1093 CA ASP A 103 -112.092-106.024 -0.836 1.00 0.00 C ATOM 1094 C ASP A 103 -110.921-105.485 -0.009 1.00 0.00 C ATOM 1095 O ASP A 103 -110.243-106.206 0.715 1.00 0.00 O ATOM 1096 CB ASP A 103 -113.406-105.192 -0.617 1.00 0.00 C ATOM 1097 CG ASP A 103 -113.455-103.865 -1.393 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -113.347-103.909 -2.647 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -113.602-102.801 -0.736 1.00 0.00 O ATOM 0 H ASP A 103 -112.339-107.793 0.284 1.00 0.00 H new ATOM 0 HA ASP A 103 -111.755-105.899 -1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -114.261-105.802 -0.910 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -113.515-104.981 0.447 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.687-104.148 -0.138 1.00 0.00 N ATOM 1105 CA LYS A 104 -109.659-103.309 0.466 1.00 0.00 C ATOM 1106 C LYS A 104 -109.973-102.829 1.878 1.00 0.00 C ATOM 1107 O LYS A 104 -109.080-102.478 2.641 1.00 0.00 O ATOM 1108 CB LYS A 104 -109.440-102.058 -0.426 1.00 0.00 C ATOM 1109 CG LYS A 104 -109.015-102.397 -1.861 1.00 0.00 C ATOM 1110 CD LYS A 104 -109.016-101.170 -2.784 1.00 0.00 C ATOM 1111 CE LYS A 104 -108.581-101.493 -4.220 1.00 0.00 C ATOM 1112 NZ LYS A 104 -109.516-102.450 -4.863 1.00 0.00 N ATOM 0 H LYS A 104 -111.292-103.588 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 104 -108.772-103.938 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -110.362-101.477 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -108.679-101.425 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -108.017-102.835 -1.846 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -109.688-103.152 -2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -110.017-100.738 -2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -108.350-100.412 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -108.538-100.574 -4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -107.575-101.913 -4.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -109.287-102.533 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -109.425-103.382 -4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -110.492-102.107 -4.756 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.272-102.785 2.233 1.00 0.00 N ATOM 1127 CA LYS A 105 -111.787-102.403 3.542 1.00 0.00 C ATOM 1128 C LYS A 105 -112.926-103.376 3.813 1.00 0.00 C ATOM 1129 O LYS A 105 -114.089-103.082 3.541 1.00 0.00 O ATOM 1130 CB LYS A 105 -112.298-100.928 3.578 1.00 0.00 C ATOM 1131 CG LYS A 105 -111.217 -99.845 3.379 1.00 0.00 C ATOM 1132 CD LYS A 105 -110.149 -99.812 4.485 1.00 0.00 C ATOM 1133 CE LYS A 105 -109.097 -98.717 4.259 1.00 0.00 C ATOM 1134 NZ LYS A 105 -108.072 -98.738 5.329 1.00 0.00 N ATOM 0 H LYS A 105 -112.016-103.027 1.579 1.00 0.00 H new ATOM 0 HA LYS A 105 -111.003-102.450 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -113.056-100.806 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -112.789-100.755 4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -110.726-100.009 2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -111.701 -98.870 3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -110.634 -99.651 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -109.654-100.782 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -108.619 -98.861 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -109.582 -97.741 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -107.372 -97.989 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -108.528 -98.578 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -107.595 -99.662 5.335 1.00 0.00 H new ATOM 1148 N MET A 106 -112.602-104.605 4.304 1.00 0.00 N ATOM 1149 CA MET A 106 -113.600-105.667 4.443 1.00 0.00 C ATOM 1150 C MET A 106 -113.324-106.510 5.686 1.00 0.00 C ATOM 1151 O MET A 106 -112.257-106.455 6.312 1.00 0.00 O ATOM 1152 CB MET A 106 -113.459-106.552 3.163 1.00 0.00 C ATOM 1153 CG MET A 106 -114.667-107.400 2.721 1.00 0.00 C ATOM 1154 SD MET A 106 -115.969-106.435 1.899 1.00 0.00 S ATOM 1155 CE MET A 106 -116.196-107.604 0.527 1.00 0.00 C ATOM 0 H MET A 106 -111.663-104.868 4.603 1.00 0.00 H new ATOM 0 HA MET A 106 -114.603-105.253 4.548 1.00 0.00 H new ATOM 0 HB2 MET A 106 -113.193-105.896 2.334 1.00 0.00 H new ATOM 0 HB3 MET A 106 -112.618-107.228 3.318 1.00 0.00 H new ATOM 0 HG2 MET A 106 -114.323-108.182 2.044 1.00 0.00 H new ATOM 0 HG3 MET A 106 -115.091-107.897 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.969-107.231 -0.145 1.00 0.00 H new ATOM 0 HE2 MET A 106 -115.259-107.709 -0.020 1.00 0.00 H new ATOM 0 HE3 MET A 106 -116.496-108.575 0.922 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.312-107.368 6.049 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.239-108.293 7.157 1.00 0.00 C ATOM 1167 C ARG A 107 -114.602-109.670 6.618 1.00 0.00 C ATOM 1168 O ARG A 107 -115.345-109.817 5.644 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.150-107.823 8.329 1.00 0.00 C ATOM 1170 CG ARG A 107 -114.810-108.492 9.672 1.00 0.00 C ATOM 1171 CD ARG A 107 -115.518-107.915 10.906 1.00 0.00 C ATOM 1172 NE ARG A 107 -116.981-108.261 10.856 1.00 0.00 N ATOM 1173 CZ ARG A 107 -117.823-108.056 11.918 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -117.354-107.544 13.094 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -119.150-108.349 11.797 1.00 0.00 N ATOM 0 H ARG A 107 -115.199-107.419 5.549 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.235-108.336 7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.062-106.742 8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.190-108.034 8.079 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -115.053-109.552 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -113.734-108.422 9.829 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -115.070-108.316 11.815 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -115.391-106.833 10.938 1.00 0.00 H new ATOM 0 HE ARG A 107 -117.361-108.663 9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -116.366-107.309 13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -117.992-107.396 13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -119.512-108.719 10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -119.780-108.198 12.585 1.00 0.00 H new ATOM 1189 N VAL A 108 -114.062-110.738 7.228 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.307-112.084 6.779 1.00 0.00 C ATOM 1191 C VAL A 108 -114.408-113.000 7.968 1.00 0.00 C ATOM 1192 O VAL A 108 -113.735-112.852 8.996 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.217-112.543 5.789 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -111.788-112.436 6.375 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.497-113.951 5.219 1.00 0.00 C ATOM 0 H VAL A 108 -113.449-110.675 8.041 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.254-112.117 6.241 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.262-111.844 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -111.064-112.773 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -111.580-111.399 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -111.712-113.060 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.701-114.228 4.527 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.537-114.673 6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -114.451-113.947 4.692 1.00 0.00 H new ATOM 1205 N ILE A 109 -115.232-114.067 7.787 1.00 0.00 N ATOM 1206 CA ILE A 109 -115.205-115.188 8.673 1.00 0.00 C ATOM 1207 C ILE A 109 -114.560-116.258 7.797 1.00 0.00 C ATOM 1208 O ILE A 109 -115.248-116.886 6.985 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.638-115.594 9.068 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -117.424-114.384 9.639 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.583-116.773 10.071 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.914-114.665 9.846 1.00 0.00 C ATOM 0 H ILE A 109 -115.910-114.143 7.028 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.679-115.008 9.610 1.00 0.00 H new ATOM 0 HB ILE A 109 -117.175-115.924 8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.982-114.091 10.591 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -117.313-113.537 8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.597-117.060 10.351 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -116.080-117.622 9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -116.034-116.468 10.962 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -119.400-113.775 10.247 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -119.370-114.929 8.892 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -119.035-115.491 10.547 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.260-116.533 8.070 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.394-117.556 7.533 1.00 0.00 C ATOM 1226 C TYR A 110 -112.433-118.746 8.496 1.00 0.00 C ATOM 1227 O TYR A 110 -111.834-118.692 9.568 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.967-116.918 7.530 1.00 0.00 C ATOM 1229 CG TYR A 110 -109.841-117.818 7.103 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -109.760-118.218 5.791 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -108.836-118.181 7.986 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -108.630-118.864 5.344 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -107.739-118.902 7.548 1.00 0.00 C ATOM 1234 CZ TYR A 110 -107.624-119.227 6.210 1.00 0.00 C ATOM 1235 OH TYR A 110 -106.492-119.904 5.703 1.00 0.00 O ATOM 0 H TYR A 110 -112.758-115.965 8.752 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.681-117.894 6.537 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.981-116.050 6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.752-116.553 8.534 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -110.579-118.026 5.114 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -108.910-117.898 9.026 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -108.531-119.091 4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -106.977-119.209 8.249 1.00 0.00 H new ATOM 0 HH TYR A 110 -106.773-120.537 5.010 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.179-119.836 8.142 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.387-121.111 8.863 1.00 0.00 C ATOM 1247 C ARG A 111 -113.664-121.053 10.389 1.00 0.00 C ATOM 1248 O ARG A 111 -113.182-121.843 11.199 1.00 0.00 O ATOM 1249 CB ARG A 111 -112.374-122.221 8.427 1.00 0.00 C ATOM 1250 CG ARG A 111 -110.885-121.955 8.740 1.00 0.00 C ATOM 1251 CD ARG A 111 -109.933-123.029 8.190 1.00 0.00 C ATOM 1252 NE ARG A 111 -110.218-124.343 8.863 1.00 0.00 N ATOM 1253 CZ ARG A 111 -109.651-125.523 8.463 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -108.785-125.564 7.409 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -109.957-126.675 9.129 1.00 0.00 N ATOM 0 H ARG A 111 -113.694-119.834 7.261 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.372-121.418 8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -112.663-123.155 8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -112.475-122.372 7.352 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -110.604-120.987 8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -110.757-121.888 9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -110.060-123.125 7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -108.898-122.736 8.364 1.00 0.00 H new ATOM 0 HE ARG A 111 -110.863-124.356 9.653 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -108.552-124.707 6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -108.371-126.451 7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -110.603-126.652 9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -109.539-127.559 8.838 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.492-120.048 10.783 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.877-119.695 12.148 1.00 0.00 C ATOM 1271 C GLY A 112 -114.039-118.636 12.833 1.00 0.00 C ATOM 1272 O GLY A 112 -114.249-118.370 14.011 1.00 0.00 O ATOM 0 H GLY A 112 -114.929-119.431 10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.912-119.354 12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -114.848-120.599 12.756 1.00 0.00 H new ATOM 1276 N LYS A 113 -113.078-117.983 12.132 1.00 0.00 N ATOM 1277 CA LYS A 113 -112.233-116.923 12.678 1.00 0.00 C ATOM 1278 C LYS A 113 -112.654-115.590 12.071 1.00 0.00 C ATOM 1279 O LYS A 113 -112.708-115.446 10.851 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.736-117.230 12.400 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.729-116.219 12.975 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.279-116.707 12.829 1.00 0.00 C ATOM 1283 CE LYS A 113 -107.247-115.711 13.377 1.00 0.00 C ATOM 1284 NZ LYS A 113 -105.864-116.213 13.186 1.00 0.00 N ATOM 0 H LYS A 113 -112.875-118.192 11.154 1.00 0.00 H new ATOM 0 HA LYS A 113 -112.357-116.868 13.759 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.505-118.215 12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -110.590-117.287 11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -109.843-115.263 12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -109.949-116.046 14.028 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -108.168-117.658 13.350 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -108.070-116.894 11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -107.361-114.751 12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -107.431-115.539 14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -105.188-115.520 13.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -105.751-117.117 13.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -105.683-116.354 12.172 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.976-114.576 12.930 1.00 0.00 N ATOM 1299 CA ILE A 114 -113.438-113.248 12.512 1.00 0.00 C ATOM 1300 C ILE A 114 -112.264-112.266 12.505 1.00 0.00 C ATOM 1301 O ILE A 114 -111.768-111.851 13.553 1.00 0.00 O ATOM 1302 CB ILE A 114 -114.591-112.720 13.385 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -115.661-113.821 13.620 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -115.224-111.473 12.705 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -116.737-113.436 14.639 1.00 0.00 C ATOM 0 H ILE A 114 -112.915-114.677 13.943 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.835-113.342 11.501 1.00 0.00 H new ATOM 0 HB ILE A 114 -114.195-112.435 14.359 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -116.142-114.055 12.670 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -115.164-114.730 13.958 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -116.041-111.098 13.322 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -114.467-110.696 12.593 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -115.608-111.750 11.723 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -117.446-114.257 14.747 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -116.269-113.231 15.602 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -117.263-112.545 14.294 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.794-111.897 11.284 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.695-110.970 11.043 1.00 0.00 C ATOM 1319 C VAL A 115 -111.065-109.933 9.982 1.00 0.00 C ATOM 1320 O VAL A 115 -111.964-110.129 9.162 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.378-111.675 10.682 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.780-112.360 11.930 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -109.554-112.683 9.518 1.00 0.00 C ATOM 0 H VAL A 115 -112.196-112.260 10.420 1.00 0.00 H new ATOM 0 HA VAL A 115 -110.523-110.455 11.988 1.00 0.00 H new ATOM 0 HB VAL A 115 -108.680-110.915 10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.847-112.856 11.661 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.585-111.611 12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -109.485-113.097 12.314 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.597-113.156 9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -110.279-113.445 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.910-112.157 8.632 1.00 0.00 H new ATOM 1333 N THR A 116 -110.311-108.801 9.960 1.00 0.00 N ATOM 1334 CA THR A 116 -110.333-107.681 9.022 1.00 0.00 C ATOM 1335 C THR A 116 -109.233-107.900 7.975 1.00 0.00 C ATOM 1336 O THR A 116 -108.217-108.533 8.285 1.00 0.00 O ATOM 1337 CB THR A 116 -110.081-106.360 9.778 1.00 0.00 C ATOM 1338 OG1 THR A 116 -109.237-106.572 10.915 1.00 0.00 O ATOM 1339 CG2 THR A 116 -111.434-105.824 10.285 1.00 0.00 C ATOM 0 H THR A 116 -109.604-108.650 10.680 1.00 0.00 H new ATOM 0 HA THR A 116 -111.306-107.623 8.533 1.00 0.00 H new ATOM 0 HB THR A 116 -109.597-105.657 9.100 1.00 0.00 H new ATOM 0 HG1 THR A 116 -109.090-105.720 11.377 1.00 0.00 H new ATOM 0 HG21 THR A 116 -111.277-104.889 10.823 1.00 0.00 H new ATOM 0 HG22 THR A 116 -112.096-105.648 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 116 -111.888-106.555 10.954 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.404-107.373 6.722 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.399-107.484 5.664 1.00 0.00 C ATOM 1349 C PHE A 117 -108.428-106.290 4.702 1.00 0.00 C ATOM 1350 O PHE A 117 -109.428-105.565 4.631 1.00 0.00 O ATOM 1351 CB PHE A 117 -108.414-108.864 4.920 1.00 0.00 C ATOM 1352 CG PHE A 117 -109.569-109.109 3.984 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -110.815-109.489 4.446 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -109.374-108.945 2.626 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -111.850-109.703 3.558 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -110.404-109.146 1.740 1.00 0.00 C ATOM 1357 CZ PHE A 117 -111.644-109.540 2.202 1.00 0.00 C ATOM 0 H PHE A 117 -110.243-106.867 6.439 1.00 0.00 H new ATOM 0 HA PHE A 117 -107.436-107.449 6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -107.488-108.955 4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -108.408-109.656 5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.979-109.619 5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -108.401-108.656 2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -112.822-109.998 3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -110.244-108.996 0.682 1.00 0.00 H new ATOM 0 HZ PHE A 117 -112.450-109.720 1.506 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.290-106.107 3.954 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.031-105.065 2.961 1.00 0.00 C ATOM 1369 C ILE A 118 -106.439-105.714 1.707 1.00 0.00 C ATOM 1370 O ILE A 118 -106.058-106.880 1.749 1.00 0.00 O ATOM 1371 CB ILE A 118 -106.101-103.937 3.471 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -104.613-104.327 3.742 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -106.716-103.261 4.718 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -104.368-105.501 4.703 1.00 0.00 C ATOM 0 H ILE A 118 -106.493-106.736 4.053 1.00 0.00 H new ATOM 0 HA ILE A 118 -107.984-104.585 2.738 1.00 0.00 H new ATOM 0 HB ILE A 118 -106.042-103.241 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -104.145-104.567 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -104.099-103.451 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -106.053-102.470 5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -107.685-102.835 4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -106.844-104.002 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -103.296-105.670 4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -104.793-105.267 5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -104.841-106.400 4.307 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.285-104.971 0.570 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.559-105.457 -0.616 1.00 0.00 C ATOM 1388 C GLY A 119 -106.332-105.390 -1.903 1.00 0.00 C ATOM 1389 O GLY A 119 -107.556-105.376 -1.908 1.00 0.00 O ATOM 0 H GLY A 119 -106.662-104.029 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.644-104.875 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -105.260-106.491 -0.442 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.622-105.371 -3.062 1.00 0.00 N ATOM 1394 CA ASP A 120 -106.183-105.299 -4.412 1.00 0.00 C ATOM 1395 C ASP A 120 -106.140-106.678 -5.108 1.00 0.00 C ATOM 1396 O ASP A 120 -105.052-107.251 -5.187 1.00 0.00 O ATOM 1397 CB ASP A 120 -105.368-104.252 -5.246 1.00 0.00 C ATOM 1398 CG ASP A 120 -105.959-103.942 -6.633 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -107.127-103.478 -6.691 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -105.243-104.173 -7.643 1.00 0.00 O ATOM 0 H ASP A 120 -104.603-105.407 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 120 -107.227-104.992 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -105.303-103.324 -4.677 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -104.350-104.620 -5.373 1.00 0.00 H new ATOM 1405 N PRO A 121 -107.253-107.278 -5.610 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.256-108.538 -6.366 1.00 0.00 C ATOM 1407 C PRO A 121 -106.836-108.368 -7.836 1.00 0.00 C ATOM 1408 O PRO A 121 -107.309-107.472 -8.533 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.714-109.016 -6.213 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.552-107.739 -6.088 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.604-106.746 -5.412 1.00 0.00 C ATOM 0 HA PRO A 121 -106.525-109.255 -5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -109.026-109.607 -7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.829-109.649 -5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -109.880-107.379 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.449-107.906 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -108.701-105.753 -5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.833-106.648 -4.351 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.915-109.229 -8.332 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.427-109.225 -9.706 1.00 0.00 C ATOM 1421 C VAL A 122 -105.443-110.649 -10.256 1.00 0.00 C ATOM 1422 O VAL A 122 -105.169-111.611 -9.543 1.00 0.00 O ATOM 1423 CB VAL A 122 -104.048-108.553 -9.798 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -103.007-109.240 -8.888 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.552-108.414 -11.256 1.00 0.00 C ATOM 0 H VAL A 122 -105.488-109.959 -7.762 1.00 0.00 H new ATOM 0 HA VAL A 122 -106.089-108.627 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 122 -104.173-107.538 -9.422 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -102.047-108.732 -8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.341-109.190 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -102.897-110.283 -9.184 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.574-107.933 -11.263 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.474-109.402 -11.710 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -104.258-107.809 -11.824 1.00 0.00 H new ATOM 1435 N ASP A 123 -105.756-110.830 -11.565 1.00 0.00 N ATOM 1436 CA ASP A 123 -105.699-112.096 -12.294 1.00 0.00 C ATOM 1437 C ASP A 123 -104.436-112.186 -13.172 1.00 0.00 C ATOM 1438 O ASP A 123 -104.393-111.642 -14.272 1.00 0.00 O ATOM 1439 CB ASP A 123 -107.006-112.411 -13.098 1.00 0.00 C ATOM 1440 CG ASP A 123 -107.451-111.313 -14.077 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -107.878-110.225 -13.608 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -107.383-111.563 -15.310 1.00 0.00 O ATOM 0 H ASP A 123 -106.066-110.057 -12.154 1.00 0.00 H new ATOM 0 HA ASP A 123 -105.630-112.879 -11.539 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -106.856-113.335 -13.657 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -107.814-112.594 -12.390 1.00 0.00 H new ATOM 1520 N GLU A 129 -108.885-119.264 -13.918 1.00 0.00 N ATOM 1521 CA GLU A 129 -110.076-118.784 -13.215 1.00 0.00 C ATOM 1522 C GLU A 129 -109.806-118.333 -11.775 1.00 0.00 C ATOM 1523 O GLU A 129 -110.610-118.552 -10.875 1.00 0.00 O ATOM 1524 CB GLU A 129 -111.316-119.735 -13.318 1.00 0.00 C ATOM 1525 CG GLU A 129 -112.062-119.703 -14.672 1.00 0.00 C ATOM 1526 CD GLU A 129 -111.239-120.288 -15.818 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -110.905-121.501 -15.749 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -110.946-119.531 -16.781 1.00 0.00 O ATOM 0 HA GLU A 129 -110.353-117.886 -13.766 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -110.987-120.756 -13.127 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -112.020-119.474 -12.528 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -112.995-120.259 -14.580 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -112.327-118.673 -14.911 1.00 0.00 H new ATOM 1535 N ILE A 130 -108.661-117.654 -11.513 1.00 0.00 N ATOM 1536 CA ILE A 130 -108.269-117.216 -10.180 1.00 0.00 C ATOM 1537 C ILE A 130 -107.908-115.740 -10.178 1.00 0.00 C ATOM 1538 O ILE A 130 -106.998-115.286 -10.875 1.00 0.00 O ATOM 1539 CB ILE A 130 -107.129-118.090 -9.596 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -106.518-117.571 -8.258 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -106.049-118.340 -10.674 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -105.524-118.535 -7.587 1.00 0.00 C ATOM 0 H ILE A 130 -107.989-117.401 -12.237 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.129-117.347 -9.523 1.00 0.00 H new ATOM 0 HB ILE A 130 -107.587-119.039 -9.317 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -106.012-116.624 -8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -107.329-117.364 -7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -105.252-118.955 -10.255 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -106.496-118.855 -11.524 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -105.636-117.386 -11.004 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -105.152-118.090 -6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -106.026-119.475 -7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -104.689-118.724 -8.261 1.00 0.00 H new ATOM 1554 N THR A 131 -108.590-114.973 -9.270 1.00 0.00 N ATOM 1555 CA THR A 131 -108.257-113.605 -8.875 1.00 0.00 C ATOM 1556 C THR A 131 -107.487-113.787 -7.562 1.00 0.00 C ATOM 1557 O THR A 131 -107.975-114.336 -6.567 1.00 0.00 O ATOM 1558 CB THR A 131 -109.471-112.686 -8.676 1.00 0.00 C ATOM 1559 OG1 THR A 131 -110.611-113.447 -8.298 1.00 0.00 O ATOM 1560 CG2 THR A 131 -109.784-111.966 -10.003 1.00 0.00 C ATOM 0 H THR A 131 -109.416-115.325 -8.786 1.00 0.00 H new ATOM 0 HA THR A 131 -107.691-113.105 -9.661 1.00 0.00 H new ATOM 0 HB THR A 131 -109.239-111.965 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.331-112.842 -8.021 1.00 0.00 H new ATOM 0 HG21 THR A 131 -110.645-111.312 -9.868 1.00 0.00 H new ATOM 0 HG22 THR A 131 -108.922-111.372 -10.307 1.00 0.00 H new ATOM 0 HG23 THR A 131 -110.006-112.704 -10.774 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.196-113.370 -7.581 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.259-113.501 -6.481 1.00 0.00 C ATOM 1570 C ARG A 132 -104.920-112.121 -5.957 1.00 0.00 C ATOM 1571 O ARG A 132 -104.729-111.158 -6.703 1.00 0.00 O ATOM 1572 CB ARG A 132 -103.982-114.312 -6.861 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.196-113.831 -8.098 1.00 0.00 C ATOM 1574 CD ARG A 132 -103.515-114.594 -9.394 1.00 0.00 C ATOM 1575 NE ARG A 132 -102.973-115.992 -9.260 1.00 0.00 N ATOM 1576 CZ ARG A 132 -102.727-116.815 -10.326 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -103.017-116.420 -11.597 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -102.192-118.053 -10.108 1.00 0.00 N ATOM 0 H ARG A 132 -105.783-112.921 -8.398 1.00 0.00 H new ATOM 0 HA ARG A 132 -105.737-114.081 -5.691 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -103.307-114.304 -6.005 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -104.275-115.349 -7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -103.403-112.772 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -102.129-113.920 -7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -104.591-114.618 -9.566 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -103.066-114.092 -10.251 1.00 0.00 H new ATOM 0 HE ARG A 132 -102.778-116.346 -8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -103.423-115.500 -11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -102.828-117.045 -12.381 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -101.980-118.357 -9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -102.005-118.674 -10.896 1.00 0.00 H new ATOM 1592 N ILE A 133 -104.881-111.996 -4.611 1.00 0.00 N ATOM 1593 CA ILE A 133 -104.616-110.762 -3.902 1.00 0.00 C ATOM 1594 C ILE A 133 -103.537-111.074 -2.894 1.00 0.00 C ATOM 1595 O ILE A 133 -103.579-112.078 -2.173 1.00 0.00 O ATOM 1596 CB ILE A 133 -105.880-110.117 -3.281 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -105.737-109.421 -1.885 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.065-111.099 -3.399 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -107.054-108.879 -1.315 1.00 0.00 C ATOM 0 H ILE A 133 -105.040-112.786 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 133 -104.276-109.993 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 133 -106.083-109.232 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -105.314-110.134 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -105.026-108.599 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -107.956-110.648 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -107.249-111.323 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -106.828-112.021 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -106.867-108.413 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -107.470-108.140 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -107.762-109.699 -1.192 1.00 0.00 H new