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 47 SER OG : rot 73:sc= 1.22 USER MOD Set 1.2: A 106 MET CE :methyl 157:sc= -0.0347 (180deg=-0.455) USER MOD Set 2.1: A 92 TYR OH : rot 30:sc= 0.0129 USER MOD Set 2.2: A 110 TYR OH : rot -112:sc= 1.26 USER MOD Set 3.1: A 71 HIS : no HE2:sc= 0.874 K(o=1.9,f=-3.3!) USER MOD Set 3.2: A 73 GLN : amide:sc= 1.04 K(o=1.9,f=0.85) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.5 K(o=-0.5,f=-2.2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.23 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 113 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00619) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 28:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -111.887-124.416 1.440 1.00 0.00 N ATOM 114 CA ASP A 41 -112.904-124.214 2.478 1.00 0.00 C ATOM 115 C ASP A 41 -113.983-123.255 2.006 1.00 0.00 C ATOM 116 O ASP A 41 -113.848-122.608 0.976 1.00 0.00 O ATOM 117 CB ASP A 41 -112.300-123.657 3.805 1.00 0.00 C ATOM 118 CG ASP A 41 -111.317-124.659 4.417 1.00 0.00 C ATOM 119 OD1 ASP A 41 -111.707-125.845 4.592 1.00 0.00 O ATOM 120 OD2 ASP A 41 -110.173-124.244 4.736 1.00 0.00 O ATOM 0 HA ASP A 41 -113.332-125.198 2.672 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -111.790-122.713 3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -113.101-123.446 4.514 1.00 0.00 H new ATOM 125 N VAL A 42 -115.075-123.107 2.797 1.00 0.00 N ATOM 126 CA VAL A 42 -116.177-122.171 2.581 1.00 0.00 C ATOM 127 C VAL A 42 -115.882-120.951 3.455 1.00 0.00 C ATOM 128 O VAL A 42 -115.547-121.094 4.633 1.00 0.00 O ATOM 129 CB VAL A 42 -117.523-122.811 2.953 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.712-121.849 2.727 1.00 0.00 C ATOM 131 CG2 VAL A 42 -117.726-124.080 2.097 1.00 0.00 C ATOM 0 H VAL A 42 -115.205-123.669 3.638 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.254-121.888 1.531 1.00 0.00 H new ATOM 0 HB VAL A 42 -117.496-123.055 4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.641-122.347 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -118.581-120.958 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -118.754-121.563 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -118.679-124.543 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -117.725-123.810 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -116.917-124.784 2.292 1.00 0.00 H new ATOM 141 N ILE A 43 -115.967-119.713 2.891 1.00 0.00 N ATOM 142 CA ILE A 43 -115.649-118.457 3.572 1.00 0.00 C ATOM 143 C ILE A 43 -116.856-117.523 3.445 1.00 0.00 C ATOM 144 O ILE A 43 -117.614-117.588 2.471 1.00 0.00 O ATOM 145 CB ILE A 43 -114.321-117.880 3.025 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.136-118.020 4.017 1.00 0.00 C ATOM 147 CG2 ILE A 43 -114.391-116.417 2.529 1.00 0.00 C ATOM 148 CD1 ILE A 43 -112.784-119.461 4.406 1.00 0.00 C ATOM 0 H ILE A 43 -116.267-119.575 1.926 1.00 0.00 H new ATOM 0 HA ILE A 43 -115.475-118.604 4.638 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.140-118.507 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -112.255-117.553 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -113.372-117.462 4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.410-116.108 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -115.117-116.342 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -114.695-115.768 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -111.945-119.455 5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -113.646-119.931 4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -112.511-120.023 3.513 1.00 0.00 H new ATOM 160 N THR A 44 -117.025-116.607 4.443 1.00 0.00 N ATOM 161 CA THR A 44 -118.137-115.653 4.487 1.00 0.00 C ATOM 162 C THR A 44 -117.638-114.207 4.493 1.00 0.00 C ATOM 163 O THR A 44 -117.044-113.771 5.483 1.00 0.00 O ATOM 164 CB THR A 44 -119.023-115.858 5.741 1.00 0.00 C ATOM 165 OG1 THR A 44 -118.844-117.129 6.376 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.484-115.714 5.281 1.00 0.00 C ATOM 0 H THR A 44 -116.385-116.522 5.233 1.00 0.00 H new ATOM 0 HA THR A 44 -118.725-115.839 3.588 1.00 0.00 H new ATOM 0 HB THR A 44 -118.740-115.116 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 44 -119.431-117.189 7.159 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.149-115.851 6.134 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.636-114.721 4.858 1.00 0.00 H new ATOM 0 HG23 THR A 44 -120.703-116.468 4.525 1.00 0.00 H new ATOM 174 N PHE A 45 -117.881-113.413 3.412 1.00 0.00 N ATOM 175 CA PHE A 45 -117.466-111.997 3.355 1.00 0.00 C ATOM 176 C PHE A 45 -118.571-110.961 3.621 1.00 0.00 C ATOM 177 O PHE A 45 -119.598-110.972 2.939 1.00 0.00 O ATOM 178 CB PHE A 45 -116.935-111.672 1.939 1.00 0.00 C ATOM 179 CG PHE A 45 -115.625-112.346 1.725 1.00 0.00 C ATOM 180 CD1 PHE A 45 -114.489-111.789 2.273 1.00 0.00 C ATOM 181 CD2 PHE A 45 -115.514-113.466 0.925 1.00 0.00 C ATOM 182 CE1 PHE A 45 -113.255-112.308 1.964 1.00 0.00 C ATOM 183 CE2 PHE A 45 -114.273-113.943 0.562 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.141-113.343 1.064 1.00 0.00 C ATOM 0 H PHE A 45 -118.362-113.737 2.573 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.725-111.912 4.150 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.652-112.003 1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.823-110.594 1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -114.569-110.946 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -116.405-113.971 0.582 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -112.370-111.902 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -114.189-114.783 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 45 -112.165-113.684 0.752 1.00 0.00 H new ATOM 194 N GLN A 46 -118.338-109.984 4.557 1.00 0.00 N ATOM 195 CA GLN A 46 -119.220-108.853 4.844 1.00 0.00 C ATOM 196 C GLN A 46 -118.462-107.527 5.050 1.00 0.00 C ATOM 197 O GLN A 46 -117.238-107.510 5.206 1.00 0.00 O ATOM 198 CB GLN A 46 -120.143-109.166 6.053 1.00 0.00 C ATOM 199 CG GLN A 46 -119.556-109.065 7.476 1.00 0.00 C ATOM 200 CD GLN A 46 -120.720-109.225 8.450 1.00 0.00 C ATOM 201 OE1 GLN A 46 -121.435-108.272 8.761 1.00 0.00 O ATOM 202 NE2 GLN A 46 -120.965-110.465 8.914 1.00 0.00 N ATOM 0 H GLN A 46 -117.500-109.983 5.138 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.839-108.711 3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -120.998-108.493 5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -120.526-110.178 5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -118.806-109.839 7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -119.060-108.105 7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -120.359-111.240 8.643 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -121.756-110.630 9.536 1.00 0.00 H new ATOM 211 N SER A 47 -119.206-106.378 5.092 1.00 0.00 N ATOM 212 CA SER A 47 -118.683-105.020 5.353 1.00 0.00 C ATOM 213 C SER A 47 -119.604-104.200 6.287 1.00 0.00 C ATOM 214 O SER A 47 -120.754-104.559 6.554 1.00 0.00 O ATOM 215 CB SER A 47 -118.409-104.225 4.030 1.00 0.00 C ATOM 216 OG SER A 47 -117.567-103.072 4.195 1.00 0.00 O ATOM 0 H SER A 47 -120.214-106.384 4.939 1.00 0.00 H new ATOM 0 HA SER A 47 -117.732-105.166 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 47 -117.948-104.896 3.306 1.00 0.00 H new ATOM 0 HB3 SER A 47 -119.362-103.907 3.608 1.00 0.00 H new ATOM 0 HG SER A 47 -116.643-103.361 4.346 1.00 0.00 H new ATOM 222 N TYR A 48 -119.075-103.043 6.794 1.00 0.00 N ATOM 223 CA TYR A 48 -119.708-102.048 7.659 1.00 0.00 C ATOM 224 C TYR A 48 -119.882-100.819 6.764 1.00 0.00 C ATOM 225 O TYR A 48 -118.892-100.289 6.260 1.00 0.00 O ATOM 226 CB TYR A 48 -118.696-101.791 8.827 1.00 0.00 C ATOM 227 CG TYR A 48 -119.213-101.193 10.108 1.00 0.00 C ATOM 228 CD1 TYR A 48 -120.477-101.449 10.607 1.00 0.00 C ATOM 229 CD2 TYR A 48 -118.329-100.474 10.896 1.00 0.00 C ATOM 230 CE1 TYR A 48 -120.853-100.983 11.851 1.00 0.00 C ATOM 231 CE2 TYR A 48 -118.699-100.011 12.142 1.00 0.00 C ATOM 232 CZ TYR A 48 -119.966-100.259 12.618 1.00 0.00 C ATOM 233 OH TYR A 48 -120.372 -99.710 13.849 1.00 0.00 O ATOM 0 H TYR A 48 -118.114-102.780 6.578 1.00 0.00 H new ATOM 0 HA TYR A 48 -120.669-102.333 8.088 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -118.225-102.743 9.072 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.912-101.135 8.448 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -121.178-102.020 10.017 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -117.334-100.273 10.529 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -121.846-101.187 12.224 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -117.995 -99.455 12.743 1.00 0.00 H new ATOM 0 HH TYR A 48 -119.620 -99.232 14.258 1.00 0.00 H new ATOM 431 N TRP A 62 -124.060-103.210 9.349 1.00 0.00 N ATOM 432 CA TRP A 62 -123.593-104.440 8.733 1.00 0.00 C ATOM 433 C TRP A 62 -124.552-105.086 7.717 1.00 0.00 C ATOM 434 O TRP A 62 -125.748-105.279 7.961 1.00 0.00 O ATOM 435 CB TRP A 62 -123.258-105.453 9.870 1.00 0.00 C ATOM 436 CG TRP A 62 -122.210-104.965 10.871 1.00 0.00 C ATOM 437 CD1 TRP A 62 -122.342-104.418 12.119 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.798-105.025 10.621 1.00 0.00 C ATOM 439 NE1 TRP A 62 -121.109-104.126 12.640 1.00 0.00 N ATOM 440 CE2 TRP A 62 -120.160-104.491 11.731 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.091-105.481 9.554 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.814-104.392 11.793 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -118.715-105.409 9.618 1.00 0.00 C ATOM 444 CH2 TRP A 62 -118.083-104.867 10.725 1.00 0.00 C ATOM 0 HA TRP A 62 -122.717-104.173 8.141 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -124.175-105.689 10.410 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -122.906-106.381 9.419 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -123.282-104.242 12.620 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -120.931-103.707 13.553 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -120.589-105.886 8.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -118.326-103.955 12.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.123-105.780 8.794 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -117.005-104.816 10.752 1.00 0.00 H new ATOM 455 N VAL A 63 -123.970-105.445 6.537 1.00 0.00 N ATOM 456 CA VAL A 63 -124.595-106.113 5.398 1.00 0.00 C ATOM 457 C VAL A 63 -123.543-107.062 4.832 1.00 0.00 C ATOM 458 O VAL A 63 -122.343-106.836 5.013 1.00 0.00 O ATOM 459 CB VAL A 63 -125.108-105.169 4.291 1.00 0.00 C ATOM 460 CG1 VAL A 63 -126.370-104.432 4.786 1.00 0.00 C ATOM 461 CG2 VAL A 63 -124.027-104.157 3.843 1.00 0.00 C ATOM 0 H VAL A 63 -122.983-105.254 6.363 1.00 0.00 H new ATOM 0 HA VAL A 63 -125.491-106.624 5.751 1.00 0.00 H new ATOM 0 HB VAL A 63 -125.356-105.774 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -126.732-103.765 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -127.144-105.160 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -126.126-103.850 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -124.433-103.513 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -123.723-103.548 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -123.162-104.696 3.456 1.00 0.00 H new ATOM 471 N ASP A 64 -123.970-108.143 4.110 1.00 0.00 N ATOM 472 CA ASP A 64 -123.114-109.161 3.481 1.00 0.00 C ATOM 473 C ASP A 64 -122.633-108.735 2.095 1.00 0.00 C ATOM 474 O ASP A 64 -123.334-108.019 1.384 1.00 0.00 O ATOM 475 CB ASP A 64 -123.822-110.541 3.376 1.00 0.00 C ATOM 476 CG ASP A 64 -124.163-111.043 4.781 1.00 0.00 C ATOM 477 OD1 ASP A 64 -123.211-111.277 5.574 1.00 0.00 O ATOM 478 OD2 ASP A 64 -125.378-111.199 5.079 1.00 0.00 O ATOM 0 H ASP A 64 -124.962-108.322 3.953 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.249-109.260 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.730-110.452 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -123.175-111.257 2.869 1.00 0.00 H new ATOM 483 N GLU A 65 -121.395-109.137 1.709 1.00 0.00 N ATOM 484 CA GLU A 65 -120.728-108.763 0.469 1.00 0.00 C ATOM 485 C GLU A 65 -120.848-109.849 -0.583 1.00 0.00 C ATOM 486 O GLU A 65 -121.325-109.612 -1.691 1.00 0.00 O ATOM 487 CB GLU A 65 -119.226-108.428 0.727 1.00 0.00 C ATOM 488 CG GLU A 65 -118.593-107.468 -0.299 1.00 0.00 C ATOM 489 CD GLU A 65 -119.240-106.086 -0.233 1.00 0.00 C ATOM 490 OE1 GLU A 65 -119.199-105.460 0.860 1.00 0.00 O ATOM 491 OE2 GLU A 65 -119.781-105.634 -1.278 1.00 0.00 O ATOM 0 H GLU A 65 -120.825-109.755 2.287 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.228-107.872 0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.131-107.990 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -118.657-109.358 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -117.523-107.381 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -118.706-107.878 -1.303 1.00 0.00 H new ATOM 498 N PHE A 66 -120.393-111.080 -0.241 1.00 0.00 N ATOM 499 CA PHE A 66 -120.418-112.228 -1.129 1.00 0.00 C ATOM 500 C PHE A 66 -120.133-113.430 -0.241 1.00 0.00 C ATOM 501 O PHE A 66 -119.804-113.293 0.938 1.00 0.00 O ATOM 502 CB PHE A 66 -119.523-112.123 -2.433 1.00 0.00 C ATOM 503 CG PHE A 66 -118.040-111.959 -2.202 1.00 0.00 C ATOM 504 CD1 PHE A 66 -117.504-110.771 -1.746 1.00 0.00 C ATOM 505 CD2 PHE A 66 -117.178-113.006 -2.446 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.174-110.670 -1.401 1.00 0.00 C ATOM 507 CE2 PHE A 66 -115.839-112.904 -2.143 1.00 0.00 C ATOM 508 CZ PHE A 66 -115.328-111.746 -1.570 1.00 0.00 C ATOM 0 H PHE A 66 -119.997-111.287 0.676 1.00 0.00 H new ATOM 0 HA PHE A 66 -121.396-112.313 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -119.681-113.020 -3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -119.875-111.278 -3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.141-109.903 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -117.558-113.919 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -115.792-109.744 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -115.179-113.733 -2.353 1.00 0.00 H new ATOM 0 HZ PHE A 66 -114.294-111.690 -1.264 1.00 0.00 H new ATOM 518 N THR A 67 -120.264-114.651 -0.786 1.00 0.00 N ATOM 519 CA THR A 67 -120.052-115.912 -0.079 1.00 0.00 C ATOM 520 C THR A 67 -119.373-116.735 -1.148 1.00 0.00 C ATOM 521 O THR A 67 -119.830-116.772 -2.295 1.00 0.00 O ATOM 522 CB THR A 67 -121.356-116.566 0.463 1.00 0.00 C ATOM 523 OG1 THR A 67 -121.195-117.889 0.982 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.496-116.609 -0.572 1.00 0.00 C ATOM 0 H THR A 67 -120.529-114.785 -1.762 1.00 0.00 H new ATOM 0 HA THR A 67 -119.472-115.801 0.837 1.00 0.00 H new ATOM 0 HB THR A 67 -121.619-115.900 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 67 -122.059-118.223 1.301 1.00 0.00 H new ATOM 0 HG21 THR A 67 -123.374-117.077 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 67 -122.744-115.594 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.178-117.186 -1.440 1.00 0.00 H new ATOM 532 N ALA A 68 -118.263-117.410 -0.775 1.00 0.00 N ATOM 533 CA ALA A 68 -117.525-118.220 -1.747 1.00 0.00 C ATOM 534 C ALA A 68 -116.683-119.330 -1.137 1.00 0.00 C ATOM 535 O ALA A 68 -116.302-119.304 0.035 1.00 0.00 O ATOM 536 CB ALA A 68 -116.604-117.330 -2.630 1.00 0.00 C ATOM 0 H ALA A 68 -117.873-117.407 0.168 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.300-118.697 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.068-117.956 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.210-116.603 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -115.888-116.807 -1.996 1.00 0.00 H new ATOM 542 N ALA A 69 -116.310-120.338 -1.983 1.00 0.00 N ATOM 543 CA ALA A 69 -115.379-121.414 -1.662 1.00 0.00 C ATOM 544 C ALA A 69 -113.975-120.885 -2.006 1.00 0.00 C ATOM 545 O ALA A 69 -113.686-120.554 -3.148 1.00 0.00 O ATOM 546 CB ALA A 69 -115.770-122.683 -2.455 1.00 0.00 C ATOM 0 H ALA A 69 -116.674-120.406 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.402-121.701 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -115.076-123.489 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.782-122.984 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.728-122.472 -3.523 1.00 0.00 H new ATOM 552 N ALA A 70 -113.113-120.707 -0.985 1.00 0.00 N ATOM 553 CA ALA A 70 -111.880-119.955 -1.060 1.00 0.00 C ATOM 554 C ALA A 70 -111.184-120.093 0.271 1.00 0.00 C ATOM 555 O ALA A 70 -111.772-120.568 1.242 1.00 0.00 O ATOM 556 CB ALA A 70 -112.162-118.456 -1.220 1.00 0.00 C ATOM 0 H ALA A 70 -113.278-121.104 -0.060 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.296-120.326 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.219-117.912 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -112.731-118.288 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.737-118.101 -0.365 1.00 0.00 H new ATOM 562 N HIS A 71 -109.915-119.632 0.386 1.00 0.00 N ATOM 563 CA HIS A 71 -109.292-119.539 1.690 1.00 0.00 C ATOM 564 C HIS A 71 -108.484-118.259 1.691 1.00 0.00 C ATOM 565 O HIS A 71 -107.786-117.881 0.735 1.00 0.00 O ATOM 566 CB HIS A 71 -108.607-120.825 2.170 1.00 0.00 C ATOM 567 CG HIS A 71 -108.312-120.905 3.631 1.00 0.00 C ATOM 568 ND1 HIS A 71 -109.286-121.074 4.588 1.00 0.00 N ATOM 569 CD2 HIS A 71 -107.126-120.893 4.295 1.00 0.00 C ATOM 570 CE1 HIS A 71 -108.654-121.143 5.782 1.00 0.00 C ATOM 571 NE2 HIS A 71 -107.343-121.042 5.653 1.00 0.00 N ATOM 0 H HIS A 71 -109.332-119.331 -0.395 1.00 0.00 H new ATOM 0 HA HIS A 71 -110.036-119.462 2.483 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -109.239-121.671 1.901 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.671-120.939 1.624 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -110.291-121.135 4.428 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -106.157-120.783 3.831 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -109.161-121.266 6.728 1.00 0.00 H new ATOM 579 N VAL A 72 -108.729-117.500 2.789 1.00 0.00 N ATOM 580 CA VAL A 72 -108.376-116.105 3.029 1.00 0.00 C ATOM 581 C VAL A 72 -107.588-116.144 4.349 1.00 0.00 C ATOM 582 O VAL A 72 -108.192-116.204 5.408 1.00 0.00 O ATOM 583 CB VAL A 72 -109.766-115.337 3.117 1.00 0.00 C ATOM 584 CG1 VAL A 72 -109.889-113.785 3.323 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.642-115.662 1.885 1.00 0.00 C ATOM 0 H VAL A 72 -109.222-117.896 3.589 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.769-115.603 2.275 1.00 0.00 H new ATOM 0 HB VAL A 72 -110.074-115.733 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -110.942-113.504 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -109.415-113.504 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -109.396-113.268 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.589-115.128 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -110.123-115.352 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.832-116.735 1.846 1.00 0.00 H new ATOM 595 N GLN A 73 -106.214-116.149 4.348 1.00 0.00 N ATOM 596 CA GLN A 73 -105.367-116.171 5.557 1.00 0.00 C ATOM 597 C GLN A 73 -104.083-115.317 5.422 1.00 0.00 C ATOM 598 O GLN A 73 -103.870-114.734 4.358 1.00 0.00 O ATOM 599 CB GLN A 73 -105.169-117.615 6.145 1.00 0.00 C ATOM 600 CG GLN A 73 -106.243-117.928 7.228 1.00 0.00 C ATOM 601 CD GLN A 73 -105.800-118.954 8.278 1.00 0.00 C ATOM 602 OE1 GLN A 73 -104.979-118.642 9.144 1.00 0.00 O ATOM 603 NE2 GLN A 73 -106.360-120.185 8.190 1.00 0.00 N ATOM 0 H GLN A 73 -105.671-116.137 3.485 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.927-115.655 6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -105.231-118.350 5.343 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -104.173-117.701 6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -106.513-117.001 7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -107.143-118.296 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -107.034-120.387 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -106.107-120.910 8.862 1.00 0.00 H new ATOM 612 N PRO A 74 -103.225-115.097 6.465 1.00 0.00 N ATOM 613 CA PRO A 74 -101.963-114.324 6.417 1.00 0.00 C ATOM 614 C PRO A 74 -100.827-114.820 5.469 1.00 0.00 C ATOM 615 O PRO A 74 -100.814-115.982 5.071 1.00 0.00 O ATOM 616 CB PRO A 74 -101.529-114.198 7.887 1.00 0.00 C ATOM 617 CG PRO A 74 -102.835-114.317 8.665 1.00 0.00 C ATOM 618 CD PRO A 74 -103.597-115.367 7.859 1.00 0.00 C ATOM 0 HA PRO A 74 -102.162-113.366 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -100.825-114.983 8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -101.035-113.245 8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -102.668-114.636 9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -103.371-113.369 8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -103.316-116.377 8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -104.673-115.278 8.008 1.00 0.00 H new ATOM 626 N ILE A 75 -99.893-113.912 5.053 1.00 0.00 N ATOM 627 CA ILE A 75 -98.747-114.085 4.135 1.00 0.00 C ATOM 628 C ILE A 75 -97.636-115.105 4.486 1.00 0.00 C ATOM 629 O ILE A 75 -96.643-114.835 5.166 1.00 0.00 O ATOM 630 CB ILE A 75 -98.190-112.710 3.711 1.00 0.00 C ATOM 631 CG1 ILE A 75 -97.308-112.768 2.434 1.00 0.00 C ATOM 632 CG2 ILE A 75 -97.489-111.963 4.873 1.00 0.00 C ATOM 633 CD1 ILE A 75 -96.893-111.385 1.919 1.00 0.00 C ATOM 0 H ILE A 75 -99.938-112.951 5.391 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.196-114.602 3.287 1.00 0.00 H new ATOM 0 HB ILE A 75 -99.065-112.118 3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -96.413-113.353 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -97.853-113.292 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -97.117-111.002 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -98.201-111.799 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -96.655-112.561 5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -96.279-111.499 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -97.783-110.805 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -96.321-110.867 2.689 1.00 0.00 H new ATOM 894 N GLY A 91 -99.648-108.982 6.853 1.00 0.00 N ATOM 895 CA GLY A 91 -100.246-109.018 5.536 1.00 0.00 C ATOM 896 C GLY A 91 -100.932-110.320 5.278 1.00 0.00 C ATOM 897 O GLY A 91 -100.666-111.342 5.912 1.00 0.00 O ATOM 0 HA2 GLY A 91 -100.963-108.203 5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -99.476-108.856 4.782 1.00 0.00 H new ATOM 901 N TYR A 92 -101.855-110.304 4.290 1.00 0.00 N ATOM 902 CA TYR A 92 -102.675-111.412 3.839 1.00 0.00 C ATOM 903 C TYR A 92 -102.262-111.919 2.468 1.00 0.00 C ATOM 904 O TYR A 92 -101.823-111.170 1.589 1.00 0.00 O ATOM 905 CB TYR A 92 -104.201-111.085 3.874 1.00 0.00 C ATOM 906 CG TYR A 92 -104.719-111.287 5.273 1.00 0.00 C ATOM 907 CD1 TYR A 92 -104.341-110.516 6.362 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.540-112.364 5.497 1.00 0.00 C ATOM 909 CE1 TYR A 92 -104.726-110.874 7.644 1.00 0.00 C ATOM 910 CE2 TYR A 92 -105.905-112.734 6.760 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.497-112.003 7.843 1.00 0.00 C ATOM 912 OH TYR A 92 -105.851-112.466 9.127 1.00 0.00 O ATOM 0 H TYR A 92 -102.047-109.452 3.762 1.00 0.00 H new ATOM 0 HA TYR A 92 -102.499-112.216 4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -104.372-110.057 3.555 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -104.739-111.728 3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -103.742-109.630 6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -105.906-112.932 4.655 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -104.424-110.271 8.487 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.520-113.610 6.905 1.00 0.00 H new ATOM 0 HH TYR A 92 -105.913-111.706 9.743 1.00 0.00 H new ATOM 922 N ASN A 93 -102.463-113.255 2.294 1.00 0.00 N ATOM 923 CA ASN A 93 -102.196-113.987 1.062 1.00 0.00 C ATOM 924 C ASN A 93 -103.421-114.866 0.874 1.00 0.00 C ATOM 925 O ASN A 93 -103.811-115.652 1.740 1.00 0.00 O ATOM 926 CB ASN A 93 -100.844-114.741 1.151 1.00 0.00 C ATOM 927 CG ASN A 93 -100.304-115.186 -0.206 1.00 0.00 C ATOM 928 OD1 ASN A 93 -101.029-115.395 -1.172 1.00 0.00 O ATOM 929 ND2 ASN A 93 -98.958-115.362 -0.271 1.00 0.00 N ATOM 0 H ASN A 93 -102.825-113.852 3.038 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.064-113.353 0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -100.109-114.096 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -100.967-115.616 1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -98.526-115.676 -1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -98.380-115.180 0.549 1.00 0.00 H new ATOM 936 N ILE A 94 -104.100-114.642 -0.276 1.00 0.00 N ATOM 937 CA ILE A 94 -105.452-115.113 -0.509 1.00 0.00 C ATOM 938 C ILE A 94 -105.666-115.606 -1.930 1.00 0.00 C ATOM 939 O ILE A 94 -105.286-114.921 -2.888 1.00 0.00 O ATOM 940 CB ILE A 94 -106.423-113.903 -0.380 1.00 0.00 C ATOM 941 CG1 ILE A 94 -106.150-112.907 0.781 1.00 0.00 C ATOM 942 CG2 ILE A 94 -107.903-114.377 -0.428 1.00 0.00 C ATOM 943 CD1 ILE A 94 -106.610-113.364 2.145 1.00 0.00 C ATOM 0 H ILE A 94 -103.707-114.124 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 94 -105.625-115.917 0.206 1.00 0.00 H new ATOM 0 HB ILE A 94 -106.212-113.292 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -105.079-112.710 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -106.639-111.961 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -108.564-113.515 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -108.093-114.881 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -108.091-115.068 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -106.373-112.599 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -107.687-113.532 2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -106.102-114.292 2.408 1.00 0.00 H new ATOM 955 N TYR A 95 -106.438-116.728 -2.114 1.00 0.00 N ATOM 956 CA TYR A 95 -106.996-116.987 -3.441 1.00 0.00 C ATOM 957 C TYR A 95 -108.475-117.293 -3.225 1.00 0.00 C ATOM 958 O TYR A 95 -108.859-117.988 -2.272 1.00 0.00 O ATOM 959 CB TYR A 95 -106.179-117.914 -4.413 1.00 0.00 C ATOM 960 CG TYR A 95 -106.565-119.362 -4.407 1.00 0.00 C ATOM 961 CD1 TYR A 95 -107.631-119.786 -5.179 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.948-120.254 -3.562 1.00 0.00 C ATOM 963 CE1 TYR A 95 -108.130-121.061 -5.041 1.00 0.00 C ATOM 964 CE2 TYR A 95 -106.431-121.541 -3.448 1.00 0.00 C ATOM 965 CZ TYR A 95 -107.540-121.945 -4.166 1.00 0.00 C ATOM 966 OH TYR A 95 -108.117-123.222 -3.981 1.00 0.00 O ATOM 0 H TYR A 95 -106.665-117.415 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.897-116.099 -4.065 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -106.289-117.532 -5.428 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -105.122-117.837 -4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -108.075-119.111 -5.896 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -105.086-119.947 -2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -108.987-121.369 -5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -105.937-122.241 -2.790 1.00 0.00 H new ATOM 0 HH TYR A 95 -107.585-123.731 -3.334 1.00 0.00 H new ATOM 976 N THR A 96 -109.338-116.732 -4.109 1.00 0.00 N ATOM 977 CA THR A 96 -110.779-116.996 -4.098 1.00 0.00 C ATOM 978 C THR A 96 -111.181-117.087 -5.562 1.00 0.00 C ATOM 979 O THR A 96 -110.423-116.570 -6.391 1.00 0.00 O ATOM 980 CB THR A 96 -111.577-115.928 -3.285 1.00 0.00 C ATOM 981 OG1 THR A 96 -112.957-116.218 -3.115 1.00 0.00 O ATOM 982 CG2 THR A 96 -111.528-114.503 -3.824 1.00 0.00 C ATOM 0 H THR A 96 -109.045-116.087 -4.843 1.00 0.00 H new ATOM 0 HA THR A 96 -111.019-117.924 -3.579 1.00 0.00 H new ATOM 0 HB THR A 96 -111.040-115.987 -2.338 1.00 0.00 H new ATOM 0 HG1 THR A 96 -113.380-115.503 -2.596 1.00 0.00 H new ATOM 0 HG21 THR A 96 -112.117-113.850 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 96 -110.495-114.157 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 96 -111.938-114.482 -4.834 1.00 0.00 H new ATOM 990 N PRO A 97 -112.319-117.687 -6.018 1.00 0.00 N ATOM 991 CA PRO A 97 -112.895-117.479 -7.357 1.00 0.00 C ATOM 992 C PRO A 97 -113.402-116.022 -7.488 1.00 0.00 C ATOM 993 O PRO A 97 -114.042-115.536 -6.556 1.00 0.00 O ATOM 994 CB PRO A 97 -114.020-118.531 -7.447 1.00 0.00 C ATOM 995 CG PRO A 97 -114.449-118.767 -5.998 1.00 0.00 C ATOM 996 CD PRO A 97 -113.133-118.607 -5.236 1.00 0.00 C ATOM 0 HA PRO A 97 -112.185-117.605 -8.175 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -114.852-118.170 -8.052 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -113.665-119.452 -7.910 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -115.197-118.044 -5.673 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -114.881-119.758 -5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -113.309-118.216 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.631-119.568 -5.120 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.995-115.384 -8.618 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.087-114.018 -9.132 1.00 0.00 C ATOM 1006 C TYR A 98 -113.043-112.793 -8.197 1.00 0.00 C ATOM 1007 O TYR A 98 -113.638-112.735 -7.122 1.00 0.00 O ATOM 1008 CB TYR A 98 -114.127-113.883 -10.294 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.707-112.870 -11.345 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -112.480-112.972 -11.989 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -114.529-111.807 -11.671 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -112.090-112.050 -12.942 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -114.138-110.882 -12.619 1.00 0.00 C ATOM 1014 CZ TYR A 98 -112.918-110.993 -13.254 1.00 0.00 C ATOM 1015 OH TYR A 98 -112.553-109.995 -14.185 1.00 0.00 O ATOM 0 H TYR A 98 -112.500-115.946 -9.311 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.071-113.924 -9.514 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -114.264-114.855 -10.767 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -115.092-113.591 -9.880 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.818-113.788 -11.740 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -115.485-111.699 -11.180 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -111.138-112.157 -13.441 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -114.795-110.062 -12.866 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.277-109.340 -14.263 1.00 0.00 H new ATOM 1025 N ASP A 99 -112.277-111.751 -8.640 1.00 0.00 N ATOM 1026 CA ASP A 99 -111.990-110.485 -7.942 1.00 0.00 C ATOM 1027 C ASP A 99 -113.169-109.598 -7.547 1.00 0.00 C ATOM 1028 O ASP A 99 -113.594-108.689 -8.257 1.00 0.00 O ATOM 1029 CB ASP A 99 -110.846-109.627 -8.604 1.00 0.00 C ATOM 1030 CG ASP A 99 -111.178-108.951 -9.944 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -111.682-109.653 -10.856 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -110.927-107.723 -10.063 1.00 0.00 O ATOM 0 H ASP A 99 -111.821-111.788 -9.552 1.00 0.00 H new ATOM 0 HA ASP A 99 -111.630-110.883 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -110.549-108.853 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -109.980-110.272 -8.753 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.658-109.866 -6.313 1.00 0.00 N ATOM 1038 CA ASP A 100 -114.678-109.128 -5.596 1.00 0.00 C ATOM 1039 C ASP A 100 -113.932-108.272 -4.586 1.00 0.00 C ATOM 1040 O ASP A 100 -113.044-107.508 -4.957 1.00 0.00 O ATOM 1041 CB ASP A 100 -115.720-110.052 -4.905 1.00 0.00 C ATOM 1042 CG ASP A 100 -116.477-110.870 -5.956 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -117.130-110.247 -6.835 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -116.417-112.126 -5.886 1.00 0.00 O ATOM 0 H ASP A 100 -113.315-110.660 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 100 -115.266-108.522 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -115.218-110.720 -4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -116.422-109.452 -4.325 1.00 0.00 H new ATOM 1049 N ARG A 101 -114.239-108.350 -3.269 1.00 0.00 N ATOM 1050 CA ARG A 101 -113.544-107.472 -2.337 1.00 0.00 C ATOM 1051 C ARG A 101 -112.425-108.115 -1.544 1.00 0.00 C ATOM 1052 O ARG A 101 -111.318-107.582 -1.552 1.00 0.00 O ATOM 1053 CB ARG A 101 -114.547-106.849 -1.332 1.00 0.00 C ATOM 1054 CG ARG A 101 -115.766-106.180 -1.990 1.00 0.00 C ATOM 1055 CD ARG A 101 -115.442-105.018 -2.943 1.00 0.00 C ATOM 1056 NE ARG A 101 -116.729-104.441 -3.471 1.00 0.00 N ATOM 1057 CZ ARG A 101 -117.442-104.982 -4.511 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -116.996-106.086 -5.178 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -118.622-104.404 -4.882 1.00 0.00 N ATOM 0 H ARG A 101 -114.927-108.980 -2.857 1.00 0.00 H new ATOM 0 HA ARG A 101 -113.081-106.720 -2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -114.896-107.628 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -114.024-106.110 -0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.321-106.938 -2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -116.426-105.811 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -114.872-104.250 -2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -114.821-105.369 -3.767 1.00 0.00 H new ATOM 0 HE ARG A 101 -117.093-103.597 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -116.117-106.525 -4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -117.542-106.472 -5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -118.964-103.580 -4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -119.162-104.796 -5.654 1.00 0.00 H new ATOM 1073 N ILE A 102 -112.617-109.283 -0.834 1.00 0.00 N ATOM 1074 CA ILE A 102 -111.640-109.911 0.045 1.00 0.00 C ATOM 1075 C ILE A 102 -111.472-109.072 1.314 1.00 0.00 C ATOM 1076 O ILE A 102 -112.145-109.300 2.313 1.00 0.00 O ATOM 1077 CB ILE A 102 -110.353-110.399 -0.619 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -110.621-111.516 -1.668 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -109.376-110.961 0.439 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -111.201-111.063 -3.015 1.00 0.00 C ATOM 0 H ILE A 102 -113.492-109.804 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 102 -112.050-110.874 0.350 1.00 0.00 H new ATOM 0 HB ILE A 102 -109.920-109.535 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -109.683-112.038 -1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -111.306-112.241 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -108.465-111.304 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -109.129-110.179 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -109.844-111.797 0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -111.343-111.930 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -112.160-110.571 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -110.512-110.365 -3.492 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.608-108.043 1.205 1.00 0.00 N ATOM 1093 CA ASP A 103 -110.244-106.957 2.097 1.00 0.00 C ATOM 1094 C ASP A 103 -110.780-105.637 1.538 1.00 0.00 C ATOM 1095 O ASP A 103 -111.562-105.634 0.589 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.710-106.925 2.394 1.00 0.00 C ATOM 1097 CG ASP A 103 -107.783-107.066 1.176 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -108.244-106.914 0.014 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -106.575-107.336 1.417 1.00 0.00 O ATOM 0 H ASP A 103 -110.071-107.957 0.342 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.712-107.123 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.477-105.986 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -108.479-107.727 3.095 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.410-104.491 2.170 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.795-103.108 1.823 1.00 0.00 C ATOM 1106 C LYS A 104 -112.001-102.642 2.627 1.00 0.00 C ATOM 1107 O LYS A 104 -113.029-102.292 2.060 1.00 0.00 O ATOM 1108 CB LYS A 104 -110.995-102.824 0.296 1.00 0.00 C ATOM 1109 CG LYS A 104 -110.702-101.391 -0.170 1.00 0.00 C ATOM 1110 CD LYS A 104 -110.804-101.268 -1.698 1.00 0.00 C ATOM 1111 CE LYS A 104 -110.319 -99.918 -2.245 1.00 0.00 C ATOM 1112 NZ LYS A 104 -111.145 -98.800 -1.730 1.00 0.00 N ATOM 0 H LYS A 104 -109.797-104.517 2.985 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.924-102.515 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -110.355-103.505 -0.266 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -112.025-103.066 0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -111.405-100.703 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -109.704-101.098 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -110.221-102.066 -2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -111.841-101.419 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -109.277 -99.763 -1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -110.357 -99.930 -3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -110.793 -97.901 -2.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -112.134 -98.938 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -111.088 -98.776 -0.692 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.907-102.685 3.988 1.00 0.00 N ATOM 1127 CA LYS A 105 -112.965-102.394 4.972 1.00 0.00 C ATOM 1128 C LYS A 105 -113.897-103.596 5.138 1.00 0.00 C ATOM 1129 O LYS A 105 -115.123-103.492 5.226 1.00 0.00 O ATOM 1130 CB LYS A 105 -113.771-101.067 4.772 1.00 0.00 C ATOM 1131 CG LYS A 105 -114.421-100.527 6.066 1.00 0.00 C ATOM 1132 CD LYS A 105 -115.395 -99.361 5.823 1.00 0.00 C ATOM 1133 CE LYS A 105 -115.930 -98.760 7.132 1.00 0.00 C ATOM 1134 NZ LYS A 105 -116.907 -97.677 6.866 1.00 0.00 N ATOM 0 H LYS A 105 -111.031-102.941 4.444 1.00 0.00 H new ATOM 0 HA LYS A 105 -112.418-102.212 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -113.104-100.306 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -114.550-101.235 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -114.954-101.338 6.561 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -113.636-100.199 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -114.890 -98.584 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -116.232 -99.711 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -116.403 -99.541 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -115.101 -98.368 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -117.251 -97.290 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -116.447 -96.922 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -117.709 -98.058 6.325 1.00 0.00 H new ATOM 1148 N MET A 106 -113.301-104.803 5.121 1.00 0.00 N ATOM 1149 CA MET A 106 -114.047-106.042 5.200 1.00 0.00 C ATOM 1150 C MET A 106 -113.783-106.721 6.522 1.00 0.00 C ATOM 1151 O MET A 106 -112.682-106.686 7.075 1.00 0.00 O ATOM 1152 CB MET A 106 -113.692-106.988 4.026 1.00 0.00 C ATOM 1153 CG MET A 106 -114.033-106.395 2.640 1.00 0.00 C ATOM 1154 SD MET A 106 -115.792-106.257 2.236 1.00 0.00 S ATOM 1155 CE MET A 106 -115.626-104.640 1.417 1.00 0.00 C ATOM 0 H MET A 106 -112.291-104.931 5.052 1.00 0.00 H new ATOM 0 HA MET A 106 -115.108-105.805 5.127 1.00 0.00 H new ATOM 0 HB2 MET A 106 -112.627-107.218 4.063 1.00 0.00 H new ATOM 0 HB3 MET A 106 -114.227-107.929 4.152 1.00 0.00 H new ATOM 0 HG2 MET A 106 -113.588-105.402 2.574 1.00 0.00 H new ATOM 0 HG3 MET A 106 -113.554-107.010 1.878 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.456-104.496 0.725 1.00 0.00 H new ATOM 0 HE2 MET A 106 -115.638-103.849 2.167 1.00 0.00 H new ATOM 0 HE3 MET A 106 -114.685-104.605 0.868 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.844-107.402 6.997 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.897-108.265 8.152 1.00 0.00 C ATOM 1167 C ARG A 107 -115.109-109.616 7.519 1.00 0.00 C ATOM 1168 O ARG A 107 -116.169-109.895 6.956 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.996-107.894 9.177 1.00 0.00 C ATOM 1170 CG ARG A 107 -115.929-108.746 10.464 1.00 0.00 C ATOM 1171 CD ARG A 107 -116.809-108.241 11.618 1.00 0.00 C ATOM 1172 NE ARG A 107 -118.260-108.453 11.279 1.00 0.00 N ATOM 1173 CZ ARG A 107 -119.272-108.194 12.167 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -119.000-107.706 13.412 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -120.567-108.419 11.801 1.00 0.00 N ATOM 0 H ARG A 107 -115.750-107.346 6.532 1.00 0.00 H new ATOM 0 HA ARG A 107 -114.000-108.200 8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.901-106.840 9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.975-108.020 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -116.222-109.768 10.222 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -114.894-108.784 10.804 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -116.559-108.771 12.537 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -116.618-107.183 11.798 1.00 0.00 H new ATOM 0 HE ARG A 107 -118.500-108.803 10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -118.035-107.530 13.691 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -119.762-107.517 14.063 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -120.779-108.778 10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -121.323-108.228 12.458 1.00 0.00 H new ATOM 1189 N VAL A 108 -114.066-110.468 7.506 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.117-111.756 6.847 1.00 0.00 C ATOM 1191 C VAL A 108 -114.105-112.788 7.923 1.00 0.00 C ATOM 1192 O VAL A 108 -113.481-112.598 8.971 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.006-111.956 5.823 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -111.623-111.655 6.425 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.100-113.354 5.169 1.00 0.00 C ATOM 0 H VAL A 108 -113.172-110.269 7.956 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.027-111.834 6.252 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.143-111.232 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -110.855-111.808 5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -111.593-110.621 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -111.440-112.322 7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.296-113.471 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.009-114.122 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -114.061-113.456 4.666 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.848-113.887 7.653 1.00 0.00 N ATOM 1206 CA ILE A 109 -115.013-115.000 8.530 1.00 0.00 C ATOM 1207 C ILE A 109 -114.364-116.210 7.879 1.00 0.00 C ATOM 1208 O ILE A 109 -114.956-116.869 7.018 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.520-115.247 8.767 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -117.256-113.939 9.160 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.709-116.349 9.833 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.763-114.096 9.396 1.00 0.00 C ATOM 0 H ILE A 109 -115.356-113.997 6.776 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.544-114.809 9.495 1.00 0.00 H new ATOM 0 HB ILE A 109 -116.967-115.589 7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.800-113.540 10.066 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -117.100-113.201 8.373 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.773-116.519 9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -116.243-117.272 9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -116.244-116.035 10.768 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -119.192-113.131 9.666 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -119.238-114.462 8.486 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.933-114.807 10.205 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.182-116.634 8.410 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.534-117.906 8.041 1.00 0.00 C ATOM 1226 C TYR A 110 -112.987-118.942 9.074 1.00 0.00 C ATOM 1227 O TYR A 110 -112.318-119.176 10.075 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.959-117.949 8.026 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.364-116.598 8.086 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -110.595-115.764 7.030 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.582-116.169 9.146 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -110.057-114.511 7.032 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -109.038-114.898 9.142 1.00 0.00 C ATOM 1234 CZ TYR A 110 -109.280-114.070 8.069 1.00 0.00 C ATOM 1235 OH TYR A 110 -108.737-112.780 7.979 1.00 0.00 O ATOM 0 H TYR A 110 -112.661-116.098 9.104 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.832-118.085 7.008 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.605-118.538 8.872 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.619-118.454 7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -111.200-116.094 6.199 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -109.396-116.830 9.979 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -110.248-113.853 6.198 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -108.432-114.559 9.969 1.00 0.00 H new ATOM 0 HH TYR A 110 -107.764-112.841 7.875 1.00 0.00 H new ATOM 1245 N ARG A 111 -114.193-119.552 8.866 1.00 0.00 N ATOM 1246 CA ARG A 111 -114.824-120.578 9.708 1.00 0.00 C ATOM 1247 C ARG A 111 -115.091-120.189 11.173 1.00 0.00 C ATOM 1248 O ARG A 111 -114.822-120.952 12.097 1.00 0.00 O ATOM 1249 CB ARG A 111 -114.067-121.934 9.594 1.00 0.00 C ATOM 1250 CG ARG A 111 -114.082-122.501 8.159 1.00 0.00 C ATOM 1251 CD ARG A 111 -113.066-123.632 7.922 1.00 0.00 C ATOM 1252 NE ARG A 111 -113.383-124.783 8.837 1.00 0.00 N ATOM 1253 CZ ARG A 111 -112.664-125.948 8.843 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -111.618-126.130 7.985 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -113.001-126.940 9.718 1.00 0.00 N ATOM 0 H ARG A 111 -114.770-119.317 8.058 1.00 0.00 H new ATOM 0 HA ARG A 111 -115.827-120.686 9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -113.035-121.798 9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -114.520-122.657 10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -115.082-122.873 7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -113.879-121.692 7.457 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -113.103-123.958 6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -112.054-123.272 8.108 1.00 0.00 H new ATOM 0 HE ARG A 111 -114.168-124.691 9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -111.363-125.393 7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -111.091-127.003 8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -113.783-126.810 10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -112.471-127.811 9.730 1.00 0.00 H new ATOM 1269 N GLY A 112 -115.620-118.957 11.398 1.00 0.00 N ATOM 1270 CA GLY A 112 -115.872-118.365 12.717 1.00 0.00 C ATOM 1271 C GLY A 112 -114.765-117.502 13.289 1.00 0.00 C ATOM 1272 O GLY A 112 -114.698-117.295 14.495 1.00 0.00 O ATOM 0 H GLY A 112 -115.888-118.337 10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -116.778-117.762 12.654 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -116.075-119.172 13.421 1.00 0.00 H new ATOM 1276 N LYS A 113 -113.879-116.942 12.433 1.00 0.00 N ATOM 1277 CA LYS A 113 -112.785-116.046 12.806 1.00 0.00 C ATOM 1278 C LYS A 113 -113.018-114.704 12.112 1.00 0.00 C ATOM 1279 O LYS A 113 -112.743-114.622 10.916 1.00 0.00 O ATOM 1280 CB LYS A 113 -111.419-116.626 12.331 1.00 0.00 C ATOM 1281 CG LYS A 113 -111.027-117.966 12.982 1.00 0.00 C ATOM 1282 CD LYS A 113 -109.757-118.561 12.345 1.00 0.00 C ATOM 1283 CE LYS A 113 -109.333-119.916 12.933 1.00 0.00 C ATOM 1284 NZ LYS A 113 -108.947-119.793 14.359 1.00 0.00 N ATOM 0 H LYS A 113 -113.917-117.115 11.428 1.00 0.00 H new ATOM 0 HA LYS A 113 -112.760-115.932 13.890 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -111.453-116.759 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -110.638-115.895 12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -110.863-117.817 14.049 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -111.850-118.674 12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -109.922-118.678 11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -108.937-117.853 12.466 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -110.153-120.628 12.837 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -108.495-120.316 12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -108.634-120.719 14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -108.171-119.107 14.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -109.765-119.467 14.913 1.00 0.00 H new ATOM 1298 N ILE A 114 -113.535-113.652 12.834 1.00 0.00 N ATOM 1299 CA ILE A 114 -113.873-112.309 12.341 1.00 0.00 C ATOM 1300 C ILE A 114 -112.673-111.348 12.345 1.00 0.00 C ATOM 1301 O ILE A 114 -112.242-110.866 13.388 1.00 0.00 O ATOM 1302 CB ILE A 114 -115.059-111.664 13.108 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -114.994-111.680 14.671 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -116.388-112.245 12.578 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -115.377-112.979 15.401 1.00 0.00 C ATOM 0 H ILE A 114 -113.730-113.746 13.831 1.00 0.00 H new ATOM 0 HA ILE A 114 -114.180-112.467 11.307 1.00 0.00 H new ATOM 0 HB ILE A 114 -114.986-110.598 12.893 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -113.977-111.420 14.965 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -115.644-110.887 15.039 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -117.222-111.794 13.115 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -116.481-112.028 11.514 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -116.400-113.324 12.730 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -115.282-112.833 16.477 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -116.407-113.242 15.160 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -114.714-113.784 15.084 1.00 0.00 H new ATOM 1317 N VAL A 115 -112.103-111.023 11.155 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.943-110.128 11.017 1.00 0.00 C ATOM 1319 C VAL A 115 -111.345-108.920 10.182 1.00 0.00 C ATOM 1320 O VAL A 115 -111.952-109.093 9.130 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.751-110.885 10.406 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.667-109.984 9.762 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -109.103-111.755 11.508 1.00 0.00 C ATOM 0 H VAL A 115 -112.444-111.382 10.263 1.00 0.00 H new ATOM 0 HA VAL A 115 -110.624-109.775 11.997 1.00 0.00 H new ATOM 0 HB VAL A 115 -110.155-111.485 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.868-110.607 9.359 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -109.112-109.399 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -108.257-109.312 10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.255-112.299 11.091 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -108.759-111.116 12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.837-112.465 11.890 1.00 0.00 H new ATOM 1333 N THR A 116 -110.996-107.672 10.640 1.00 0.00 N ATOM 1334 CA THR A 116 -111.263-106.393 9.955 1.00 0.00 C ATOM 1335 C THR A 116 -109.998-105.938 9.236 1.00 0.00 C ATOM 1336 O THR A 116 -108.971-105.732 9.878 1.00 0.00 O ATOM 1337 CB THR A 116 -111.761-105.276 10.876 1.00 0.00 C ATOM 1338 OG1 THR A 116 -112.884-105.732 11.617 1.00 0.00 O ATOM 1339 CG2 THR A 116 -112.240-104.049 10.071 1.00 0.00 C ATOM 0 H THR A 116 -110.506-107.543 11.525 1.00 0.00 H new ATOM 0 HA THR A 116 -112.074-106.584 9.252 1.00 0.00 H new ATOM 0 HB THR A 116 -110.928-105.001 11.522 1.00 0.00 H new ATOM 0 HG1 THR A 116 -113.200-105.016 12.207 1.00 0.00 H new ATOM 0 HG21 THR A 116 -112.586-103.276 10.757 1.00 0.00 H new ATOM 0 HG22 THR A 116 -111.415-103.661 9.474 1.00 0.00 H new ATOM 0 HG23 THR A 116 -113.058-104.342 9.413 1.00 0.00 H new ATOM 1347 N PHE A 117 -110.022-105.803 7.886 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.826-105.481 7.102 1.00 0.00 C ATOM 1349 C PHE A 117 -109.042-104.621 5.855 1.00 0.00 C ATOM 1350 O PHE A 117 -110.135-104.519 5.292 1.00 0.00 O ATOM 1351 CB PHE A 117 -107.950-106.750 6.804 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.521-107.878 5.962 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -109.861-108.052 5.631 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -107.617-108.835 5.521 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.262-109.121 4.858 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.018-109.895 4.735 1.00 0.00 C ATOM 1357 CZ PHE A 117 -109.342-110.031 4.385 1.00 0.00 C ATOM 0 H PHE A 117 -110.867-105.915 7.325 1.00 0.00 H new ATOM 0 HA PHE A 117 -108.263-104.824 7.765 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -107.038-106.408 6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.657-107.176 7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.595-107.342 5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -106.577-108.748 5.799 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.308-109.246 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -107.293-110.619 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 117 -109.657-110.843 3.746 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.929-103.980 5.403 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.781-103.055 4.281 1.00 0.00 C ATOM 1369 C ILE A 118 -106.662-103.559 3.360 1.00 0.00 C ATOM 1370 O ILE A 118 -105.616-103.989 3.836 1.00 0.00 O ATOM 1371 CB ILE A 118 -107.511-101.602 4.728 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -106.507-101.470 5.913 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -108.858-100.902 5.018 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -107.109-101.529 7.331 1.00 0.00 C ATOM 0 H ILE A 118 -107.035-104.123 5.872 1.00 0.00 H new ATOM 0 HA ILE A 118 -108.728-103.031 3.742 1.00 0.00 H new ATOM 0 HB ILE A 118 -107.007-101.097 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -105.766-102.264 5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -105.975-100.524 5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -108.674 -99.875 5.334 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -109.469-100.900 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -109.383-101.437 5.810 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -106.313-101.426 8.069 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -107.826-100.718 7.456 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -107.614-102.485 7.473 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.872-103.523 2.011 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.963-103.994 0.960 1.00 0.00 C ATOM 1388 C GLY A 119 -106.802-104.048 -0.303 1.00 0.00 C ATOM 1389 O GLY A 119 -107.920-103.543 -0.261 1.00 0.00 O ATOM 0 H GLY A 119 -107.734-103.140 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -105.116-103.318 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -105.556-104.975 1.203 1.00 0.00 H new ATOM 1393 N ASP A 120 -106.343-104.665 -1.439 1.00 0.00 N ATOM 1394 CA ASP A 120 -107.074-104.728 -2.714 1.00 0.00 C ATOM 1395 C ASP A 120 -106.669-105.977 -3.564 1.00 0.00 C ATOM 1396 O ASP A 120 -105.483-106.315 -3.571 1.00 0.00 O ATOM 1397 CB ASP A 120 -106.799-103.418 -3.536 1.00 0.00 C ATOM 1398 CG ASP A 120 -107.786-103.182 -4.689 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -108.989-102.948 -4.399 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -107.344-103.227 -5.868 1.00 0.00 O ATOM 0 H ASP A 120 -105.438-105.135 -1.477 1.00 0.00 H new ATOM 0 HA ASP A 120 -108.136-104.817 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -106.835-102.564 -2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -105.788-103.461 -3.941 1.00 0.00 H new ATOM 1405 N PRO A 121 -107.584-106.700 -4.261 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.309-107.848 -5.139 1.00 0.00 C ATOM 1407 C PRO A 121 -107.128-107.492 -6.636 1.00 0.00 C ATOM 1408 O PRO A 121 -107.579-106.450 -7.105 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.591-108.681 -4.932 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.719-107.653 -4.808 1.00 0.00 C ATOM 1411 CD PRO A 121 -109.030-106.462 -4.139 1.00 0.00 C ATOM 0 HA PRO A 121 -106.368-108.339 -4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.763-109.355 -5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.520-109.298 -4.036 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -110.130-107.386 -5.782 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.545-108.031 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -109.312-105.527 -4.623 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -109.324-106.380 -3.092 1.00 0.00 H new ATOM 1419 N VAL A 122 -106.467-108.405 -7.405 1.00 0.00 N ATOM 1420 CA VAL A 122 -106.238-108.388 -8.852 1.00 0.00 C ATOM 1421 C VAL A 122 -106.706-109.738 -9.421 1.00 0.00 C ATOM 1422 O VAL A 122 -106.688-110.756 -8.725 1.00 0.00 O ATOM 1423 CB VAL A 122 -104.797-108.063 -9.274 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -104.498-106.584 -8.937 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.771-109.006 -8.609 1.00 0.00 C ATOM 0 H VAL A 122 -106.053-109.234 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 122 -106.818-107.565 -9.269 1.00 0.00 H new ATOM 0 HB VAL A 122 -104.704-108.219 -10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -103.477-106.343 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -105.193-105.940 -9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -104.612-106.425 -7.865 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.766-108.739 -8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.837-108.910 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.984-110.036 -8.895 1.00 0.00 H new ATOM 1435 N ASP A 123 -107.201-109.811 -10.687 1.00 0.00 N ATOM 1436 CA ASP A 123 -107.613-111.057 -11.368 1.00 0.00 C ATOM 1437 C ASP A 123 -106.416-111.802 -11.992 1.00 0.00 C ATOM 1438 O ASP A 123 -105.421-111.167 -12.322 1.00 0.00 O ATOM 1439 CB ASP A 123 -108.719-110.798 -12.439 1.00 0.00 C ATOM 1440 CG ASP A 123 -108.548-109.457 -13.171 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -107.480-109.246 -13.804 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -109.493-108.627 -13.101 1.00 0.00 O ATOM 0 H ASP A 123 -107.325-108.983 -11.270 1.00 0.00 H new ATOM 0 HA ASP A 123 -108.037-111.700 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -108.706-111.608 -13.169 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -109.696-110.819 -11.956 1.00 0.00 H new ATOM 1520 N GLU A 129 -112.971-116.509 -13.762 1.00 0.00 N ATOM 1521 CA GLU A 129 -112.138-117.511 -13.102 1.00 0.00 C ATOM 1522 C GLU A 129 -111.617-117.167 -11.702 1.00 0.00 C ATOM 1523 O GLU A 129 -112.374-117.189 -10.735 1.00 0.00 O ATOM 1524 CB GLU A 129 -111.059-118.125 -14.048 1.00 0.00 C ATOM 1525 CG GLU A 129 -110.480-119.484 -13.604 1.00 0.00 C ATOM 1526 CD GLU A 129 -109.450-119.955 -14.629 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -109.847-120.204 -15.798 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -108.251-120.071 -14.257 1.00 0.00 O ATOM 0 HA GLU A 129 -112.848-118.307 -12.879 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -111.496-118.243 -15.040 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -110.238-117.414 -14.143 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -110.016-119.391 -12.622 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -111.279-120.219 -13.511 1.00 0.00 H new ATOM 1535 N ILE A 130 -110.298-116.884 -11.528 1.00 0.00 N ATOM 1536 CA ILE A 130 -109.678-116.714 -10.215 1.00 0.00 C ATOM 1537 C ILE A 130 -108.951-115.390 -10.062 1.00 0.00 C ATOM 1538 O ILE A 130 -108.262-114.884 -10.949 1.00 0.00 O ATOM 1539 CB ILE A 130 -108.791-117.946 -9.877 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -109.717-119.069 -9.331 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -107.619-117.691 -8.886 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -109.013-120.396 -9.022 1.00 0.00 C ATOM 0 H ILE A 130 -109.647-116.770 -12.305 1.00 0.00 H new ATOM 0 HA ILE A 130 -110.476-116.668 -9.474 1.00 0.00 H new ATOM 0 HB ILE A 130 -108.294-118.227 -10.805 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -110.200-118.711 -8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -110.506-119.255 -10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -107.070-118.619 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -106.948-116.940 -9.302 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -108.017-117.335 -7.936 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -109.741-121.115 -8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -108.554-120.785 -9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -108.243-120.232 -8.268 1.00 0.00 H new ATOM 1554 N THR A 131 -109.063-114.845 -8.825 1.00 0.00 N ATOM 1555 CA THR A 131 -108.292-113.751 -8.261 1.00 0.00 C ATOM 1556 C THR A 131 -107.240-114.318 -7.301 1.00 0.00 C ATOM 1557 O THR A 131 -107.495-115.169 -6.431 1.00 0.00 O ATOM 1558 CB THR A 131 -109.161-112.700 -7.564 1.00 0.00 C ATOM 1559 OG1 THR A 131 -108.463-111.588 -6.996 1.00 0.00 O ATOM 1560 CG2 THR A 131 -110.020-113.325 -6.465 1.00 0.00 C ATOM 0 H THR A 131 -109.751-115.198 -8.160 1.00 0.00 H new ATOM 0 HA THR A 131 -107.802-113.232 -9.085 1.00 0.00 H new ATOM 0 HB THR A 131 -109.769-112.308 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A 131 -107.631-111.436 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 131 -110.624-112.551 -5.991 1.00 0.00 H new ATOM 0 HG22 THR A 131 -110.674-114.081 -6.900 1.00 0.00 H new ATOM 0 HG23 THR A 131 -109.375-113.790 -5.719 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.025-113.736 -7.499 1.00 0.00 N ATOM 1569 CA ARG A 132 -104.811-113.883 -6.736 1.00 0.00 C ATOM 1570 C ARG A 132 -104.669-112.541 -6.046 1.00 0.00 C ATOM 1571 O ARG A 132 -104.595-111.490 -6.681 1.00 0.00 O ATOM 1572 CB ARG A 132 -103.581-114.159 -7.653 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.476-115.625 -8.123 1.00 0.00 C ATOM 1574 CD ARG A 132 -103.220-116.647 -6.996 1.00 0.00 C ATOM 1575 NE ARG A 132 -101.880-116.356 -6.358 1.00 0.00 N ATOM 1576 CZ ARG A 132 -101.680-116.093 -5.026 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -102.714-116.102 -4.139 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -100.419-115.812 -4.583 1.00 0.00 N ATOM 0 H ARG A 132 -105.887-113.095 -8.280 1.00 0.00 H new ATOM 0 HA ARG A 132 -104.853-114.726 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -103.637-113.510 -8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -102.671-113.893 -7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -104.399-115.895 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -102.671-115.701 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -104.012-116.590 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -103.233-117.660 -7.397 1.00 0.00 H new ATOM 0 HE ARG A 132 -101.061-116.355 -6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -103.660-116.307 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -102.542-115.904 -3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -99.639-115.799 -5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -100.258-115.615 -3.595 1.00 0.00 H new ATOM 1592 N ILE A 133 -104.677-112.545 -4.701 1.00 0.00 N ATOM 1593 CA ILE A 133 -104.604-111.333 -3.911 1.00 0.00 C ATOM 1594 C ILE A 133 -103.477-111.543 -2.912 1.00 0.00 C ATOM 1595 O ILE A 133 -103.469-112.485 -2.111 1.00 0.00 O ATOM 1596 CB ILE A 133 -105.940-110.882 -3.287 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -105.810-110.252 -1.869 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.091-111.909 -3.486 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -106.989-109.384 -1.482 1.00 0.00 C ATOM 0 H ILE A 133 -104.735-113.397 -4.144 1.00 0.00 H new ATOM 0 HA ILE A 133 -104.385-110.482 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 133 -106.268-110.026 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -105.700-111.050 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -104.900-109.654 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.002-111.529 -3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -107.262-112.062 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -106.817-112.857 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -106.830-108.979 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -107.087-108.565 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -107.900-109.983 -1.490 1.00 0.00 H new