USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 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= -0.561 X(o=-0.56,f=-0.84) USER MOD Set 1.2: A 73 GLN : amide:sc= 0 X(o=-0.56,f=-0.69) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.632 K(o=-0.63,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 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 0:sc= 0.624 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -168:sc=-0.00631 (180deg=-0.134) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -152:sc= 0 (180deg=-0.00631) USER MOD Single : A 110 TYR OH : rot -139:sc= 0.949 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 94:sc= 0.434 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -113.023-124.446 1.365 1.00 0.00 N ATOM 114 CA ASP A 41 -113.966-124.358 2.491 1.00 0.00 C ATOM 115 C ASP A 41 -114.901-123.170 2.328 1.00 0.00 C ATOM 116 O ASP A 41 -114.611-122.233 1.580 1.00 0.00 O ATOM 117 CB ASP A 41 -113.262-124.298 3.874 1.00 0.00 C ATOM 118 CG ASP A 41 -112.476-125.592 4.103 1.00 0.00 C ATOM 119 OD1 ASP A 41 -113.126-126.667 4.195 1.00 0.00 O ATOM 120 OD2 ASP A 41 -111.222-125.524 4.188 1.00 0.00 O ATOM 0 HA ASP A 41 -114.547-125.280 2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -112.591-123.440 3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -114.000-124.164 4.664 1.00 0.00 H new ATOM 125 N VAL A 42 -116.064-123.215 3.043 1.00 0.00 N ATOM 126 CA VAL A 42 -117.159-122.244 2.966 1.00 0.00 C ATOM 127 C VAL A 42 -117.086-121.195 4.077 1.00 0.00 C ATOM 128 O VAL A 42 -117.081-121.452 5.286 1.00 0.00 O ATOM 129 CB VAL A 42 -118.539-122.908 2.880 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.677-123.589 1.502 1.00 0.00 C ATOM 131 CG2 VAL A 42 -118.751-123.937 4.008 1.00 0.00 C ATOM 0 H VAL A 42 -116.255-123.963 3.709 1.00 0.00 H new ATOM 0 HA VAL A 42 -117.023-121.711 2.025 1.00 0.00 H new ATOM 0 HB VAL A 42 -119.303-122.140 2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.655-124.065 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -118.577-122.841 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -117.897-124.342 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -119.740-124.384 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -117.992-124.716 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -118.671-123.439 4.974 1.00 0.00 H new ATOM 141 N ILE A 43 -116.967-119.920 3.619 1.00 0.00 N ATOM 142 CA ILE A 43 -116.734-118.724 4.412 1.00 0.00 C ATOM 143 C ILE A 43 -117.826-117.675 4.220 1.00 0.00 C ATOM 144 O ILE A 43 -118.596-117.717 3.256 1.00 0.00 O ATOM 145 CB ILE A 43 -115.319-118.239 4.073 1.00 0.00 C ATOM 146 CG1 ILE A 43 -114.339-118.766 5.146 1.00 0.00 C ATOM 147 CG2 ILE A 43 -115.143-116.716 3.867 1.00 0.00 C ATOM 148 CD1 ILE A 43 -113.695-120.116 4.818 1.00 0.00 C ATOM 0 H ILE A 43 -117.038-119.708 2.624 1.00 0.00 H new ATOM 0 HA ILE A 43 -116.790-118.940 5.479 1.00 0.00 H new ATOM 0 HB ILE A 43 -115.099-118.651 3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.550-118.028 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -114.872-118.854 6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -114.101-116.499 3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -115.776-116.385 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -115.428-116.190 4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -113.024-120.405 5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -114.472-120.872 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -113.130-120.034 3.890 1.00 0.00 H new ATOM 160 N THR A 44 -117.889-116.678 5.170 1.00 0.00 N ATOM 161 CA THR A 44 -118.891-115.597 5.161 1.00 0.00 C ATOM 162 C THR A 44 -118.208-114.234 5.050 1.00 0.00 C ATOM 163 O THR A 44 -117.512-113.782 5.967 1.00 0.00 O ATOM 164 CB THR A 44 -119.759-115.643 6.431 1.00 0.00 C ATOM 165 OG1 THR A 44 -120.287-116.952 6.595 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.968-114.692 6.367 1.00 0.00 C ATOM 0 H THR A 44 -117.239-116.620 5.954 1.00 0.00 H new ATOM 0 HA THR A 44 -119.534-115.744 4.293 1.00 0.00 H new ATOM 0 HB THR A 44 -119.110-115.343 7.254 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.839-116.983 7.404 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.541-114.770 7.291 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.619-113.667 6.242 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.601-114.965 5.523 1.00 0.00 H new ATOM 174 N PHE A 45 -118.411-113.535 3.901 1.00 0.00 N ATOM 175 CA PHE A 45 -117.832-112.205 3.675 1.00 0.00 C ATOM 176 C PHE A 45 -118.877-111.105 3.877 1.00 0.00 C ATOM 177 O PHE A 45 -119.969-111.155 3.294 1.00 0.00 O ATOM 178 CB PHE A 45 -117.310-112.115 2.230 1.00 0.00 C ATOM 179 CG PHE A 45 -116.112-113.009 2.050 1.00 0.00 C ATOM 180 CD1 PHE A 45 -114.873-112.583 2.485 1.00 0.00 C ATOM 181 CD2 PHE A 45 -116.199-114.215 1.378 1.00 0.00 C ATOM 182 CE1 PHE A 45 -113.746-113.340 2.243 1.00 0.00 C ATOM 183 CE2 PHE A 45 -115.070-114.952 1.094 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.840-114.522 1.538 1.00 0.00 C ATOM 0 H PHE A 45 -118.973-113.881 3.123 1.00 0.00 H new ATOM 0 HA PHE A 45 -117.023-112.064 4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -118.097-112.405 1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -117.042-111.085 1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -114.786-111.649 3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -117.166-114.584 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -112.786-113.006 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -115.150-115.866 0.524 1.00 0.00 H new ATOM 0 HZ PHE A 45 -112.954-115.106 1.336 1.00 0.00 H new ATOM 194 N GLN A 46 -118.535-110.089 4.722 1.00 0.00 N ATOM 195 CA GLN A 46 -119.366-108.977 5.142 1.00 0.00 C ATOM 196 C GLN A 46 -118.728-107.630 4.778 1.00 0.00 C ATOM 197 O GLN A 46 -117.534-107.534 4.494 1.00 0.00 O ATOM 198 CB GLN A 46 -119.605-109.064 6.688 1.00 0.00 C ATOM 199 CG GLN A 46 -120.053-110.482 7.151 1.00 0.00 C ATOM 200 CD GLN A 46 -120.453-110.614 8.627 1.00 0.00 C ATOM 201 OE1 GLN A 46 -120.296-111.669 9.246 1.00 0.00 O ATOM 202 NE2 GLN A 46 -121.032-109.528 9.191 1.00 0.00 N ATOM 0 H GLN A 46 -117.606-110.045 5.141 1.00 0.00 H new ATOM 0 HA GLN A 46 -120.319-109.041 4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -118.688-108.790 7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -120.364-108.336 6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -120.898-110.792 6.537 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -119.241-111.181 6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -121.146-108.671 8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -121.354-109.566 10.158 1.00 0.00 H new ATOM 211 N SER A 47 -119.548-106.540 4.831 1.00 0.00 N ATOM 212 CA SER A 47 -119.158-105.154 4.556 1.00 0.00 C ATOM 213 C SER A 47 -119.998-104.214 5.441 1.00 0.00 C ATOM 214 O SER A 47 -121.019-104.614 6.016 1.00 0.00 O ATOM 215 CB SER A 47 -119.392-104.845 3.047 1.00 0.00 C ATOM 216 OG SER A 47 -118.786-103.627 2.626 1.00 0.00 O ATOM 0 H SER A 47 -120.534-106.623 5.078 1.00 0.00 H new ATOM 0 HA SER A 47 -118.102-105.004 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 47 -118.997-105.666 2.449 1.00 0.00 H new ATOM 0 HB3 SER A 47 -120.464-104.796 2.854 1.00 0.00 H new ATOM 0 HG SER A 47 -118.964-103.486 1.673 1.00 0.00 H new ATOM 222 N TYR A 48 -119.557-102.930 5.568 1.00 0.00 N ATOM 223 CA TYR A 48 -120.160-101.896 6.405 1.00 0.00 C ATOM 224 C TYR A 48 -120.559-100.693 5.553 1.00 0.00 C ATOM 225 O TYR A 48 -119.758-100.173 4.774 1.00 0.00 O ATOM 226 CB TYR A 48 -119.125-101.472 7.501 1.00 0.00 C ATOM 227 CG TYR A 48 -119.648-100.724 8.708 1.00 0.00 C ATOM 228 CD1 TYR A 48 -120.914-100.918 9.228 1.00 0.00 C ATOM 229 CD2 TYR A 48 -118.782 -99.888 9.393 1.00 0.00 C ATOM 230 CE1 TYR A 48 -121.300-100.311 10.405 1.00 0.00 C ATOM 231 CE2 TYR A 48 -119.153 -99.301 10.586 1.00 0.00 C ATOM 232 CZ TYR A 48 -120.412 -99.529 11.099 1.00 0.00 C ATOM 233 OH TYR A 48 -120.803 -99.020 12.351 1.00 0.00 O ATOM 0 H TYR A 48 -118.738-102.592 5.063 1.00 0.00 H new ATOM 0 HA TYR A 48 -121.060-102.284 6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -118.624-102.373 7.855 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -118.366-100.851 7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -121.612-101.555 8.705 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -117.800 -99.692 8.987 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -122.303-100.452 10.781 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -118.459 -98.665 11.116 1.00 0.00 H new ATOM 0 HH TYR A 48 -120.074 -98.485 12.729 1.00 0.00 H new ATOM 431 N TRP A 62 -124.699-102.861 9.108 1.00 0.00 N ATOM 432 CA TRP A 62 -123.921-104.057 8.845 1.00 0.00 C ATOM 433 C TRP A 62 -124.751-104.999 7.949 1.00 0.00 C ATOM 434 O TRP A 62 -125.885-105.360 8.267 1.00 0.00 O ATOM 435 CB TRP A 62 -123.572-104.751 10.202 1.00 0.00 C ATOM 436 CG TRP A 62 -122.437-104.079 10.968 1.00 0.00 C ATOM 437 CD1 TRP A 62 -122.396-103.387 12.151 1.00 0.00 C ATOM 438 CD2 TRP A 62 -121.090-104.111 10.484 1.00 0.00 C ATOM 439 NE1 TRP A 62 -121.112-102.983 12.423 1.00 0.00 N ATOM 440 CE2 TRP A 62 -120.311-103.404 11.392 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.551-104.672 9.364 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.993-103.210 11.172 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -119.190-104.555 9.186 1.00 0.00 C ATOM 444 CH2 TRP A 62 -118.425-103.809 10.068 1.00 0.00 C ATOM 0 HA TRP A 62 -122.992-103.806 8.334 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -124.462-104.765 10.831 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -123.302-105.789 10.009 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -123.252-103.188 12.779 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -120.808-102.462 13.246 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -121.168-105.189 8.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -118.401-102.603 11.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.715-105.049 8.351 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -117.366-103.695 9.888 1.00 0.00 H new ATOM 455 N VAL A 63 -124.176-105.410 6.784 1.00 0.00 N ATOM 456 CA VAL A 63 -124.815-106.261 5.778 1.00 0.00 C ATOM 457 C VAL A 63 -123.803-107.296 5.300 1.00 0.00 C ATOM 458 O VAL A 63 -122.608-107.201 5.584 1.00 0.00 O ATOM 459 CB VAL A 63 -125.374-105.467 4.577 1.00 0.00 C ATOM 460 CG1 VAL A 63 -126.717-104.817 4.973 1.00 0.00 C ATOM 461 CG2 VAL A 63 -124.372-104.400 4.084 1.00 0.00 C ATOM 0 H VAL A 63 -123.226-105.142 6.526 1.00 0.00 H new ATOM 0 HA VAL A 63 -125.672-106.744 6.247 1.00 0.00 H new ATOM 0 HB VAL A 63 -125.537-106.158 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -127.113-104.256 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -127.427-105.593 5.258 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -126.560-104.142 5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -124.800-103.862 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -124.161-103.699 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -123.447-104.886 3.774 1.00 0.00 H new ATOM 471 N ASP A 64 -124.264-108.316 4.520 1.00 0.00 N ATOM 472 CA ASP A 64 -123.415-109.363 3.940 1.00 0.00 C ATOM 473 C ASP A 64 -123.037-108.983 2.516 1.00 0.00 C ATOM 474 O ASP A 64 -123.845-108.387 1.808 1.00 0.00 O ATOM 475 CB ASP A 64 -124.115-110.752 3.920 1.00 0.00 C ATOM 476 CG ASP A 64 -124.420-111.195 5.353 1.00 0.00 C ATOM 477 OD1 ASP A 64 -123.449-111.402 6.128 1.00 0.00 O ATOM 478 OD2 ASP A 64 -125.627-111.335 5.688 1.00 0.00 O ATOM 0 H ASP A 64 -125.250-108.422 4.282 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.528-109.443 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -125.037-110.697 3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -123.475-111.486 3.430 1.00 0.00 H new ATOM 483 N GLU A 65 -121.793-109.317 2.066 1.00 0.00 N ATOM 484 CA GLU A 65 -121.274-109.025 0.731 1.00 0.00 C ATOM 485 C GLU A 65 -121.564-110.176 -0.213 1.00 0.00 C ATOM 486 O GLU A 65 -122.141-109.977 -1.279 1.00 0.00 O ATOM 487 CB GLU A 65 -119.742-108.709 0.745 1.00 0.00 C ATOM 488 CG GLU A 65 -119.175-108.038 -0.533 1.00 0.00 C ATOM 489 CD GLU A 65 -119.856-106.702 -0.829 1.00 0.00 C ATOM 490 OE1 GLU A 65 -119.678-105.750 -0.026 1.00 0.00 O ATOM 491 OE2 GLU A 65 -120.561-106.615 -1.871 1.00 0.00 O ATOM 0 H GLU A 65 -121.119-109.810 2.652 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.786-108.130 0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.533-108.060 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.201-109.640 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -118.103-107.880 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.306-108.708 -1.383 1.00 0.00 H new ATOM 498 N PHE A 66 -121.149-111.404 0.189 1.00 0.00 N ATOM 499 CA PHE A 66 -121.305-112.616 -0.591 1.00 0.00 C ATOM 500 C PHE A 66 -120.987-113.766 0.353 1.00 0.00 C ATOM 501 O PHE A 66 -120.527-113.571 1.479 1.00 0.00 O ATOM 502 CB PHE A 66 -120.487-112.664 -1.946 1.00 0.00 C ATOM 503 CG PHE A 66 -118.980-112.630 -1.787 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.348-111.539 -1.245 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.200-113.715 -2.111 1.00 0.00 C ATOM 506 CE1 PHE A 66 -117.021-111.554 -0.907 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.851-113.728 -1.818 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.245-112.649 -1.195 1.00 0.00 C ATOM 0 H PHE A 66 -120.689-111.561 1.086 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.328-112.677 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.760-113.571 -2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.791-111.821 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.917-110.636 -1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.648-114.567 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.583-110.700 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.259-114.593 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.195-112.669 -0.944 1.00 0.00 H new ATOM 518 N THR A 67 -121.204-115.014 -0.098 1.00 0.00 N ATOM 519 CA THR A 67 -120.926-116.222 0.671 1.00 0.00 C ATOM 520 C THR A 67 -120.191-117.040 -0.367 1.00 0.00 C ATOM 521 O THR A 67 -120.633-117.112 -1.516 1.00 0.00 O ATOM 522 CB THR A 67 -122.199-116.936 1.177 1.00 0.00 C ATOM 523 OG1 THR A 67 -123.268-116.930 0.233 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.721-116.204 2.429 1.00 0.00 C ATOM 0 H THR A 67 -121.584-115.206 -1.025 1.00 0.00 H new ATOM 0 HA THR A 67 -120.375-116.040 1.594 1.00 0.00 H new ATOM 0 HB THR A 67 -121.909-117.969 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 67 -124.042-117.397 0.612 1.00 0.00 H new ATOM 0 HG21 THR A 67 -123.620-116.702 2.793 1.00 0.00 H new ATOM 0 HG22 THR A 67 -121.957-116.222 3.206 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.956-115.170 2.175 1.00 0.00 H new ATOM 532 N ALA A 68 -119.031-117.640 -0.019 1.00 0.00 N ATOM 533 CA ALA A 68 -118.259-118.329 -1.056 1.00 0.00 C ATOM 534 C ALA A 68 -117.278-119.388 -0.601 1.00 0.00 C ATOM 535 O ALA A 68 -116.848-119.466 0.555 1.00 0.00 O ATOM 536 CB ALA A 68 -117.535-117.337 -2.004 1.00 0.00 C ATOM 0 H ALA A 68 -118.632-117.659 0.920 1.00 0.00 H new ATOM 0 HA ALA A 68 -119.041-118.874 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.976-117.894 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -118.271-116.701 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.849-116.717 -1.427 1.00 0.00 H new ATOM 542 N ALA A 69 -116.831-120.216 -1.598 1.00 0.00 N ATOM 543 CA ALA A 69 -115.695-121.123 -1.461 1.00 0.00 C ATOM 544 C ALA A 69 -114.432-120.279 -1.723 1.00 0.00 C ATOM 545 O ALA A 69 -114.252-119.689 -2.793 1.00 0.00 O ATOM 546 CB ALA A 69 -115.820-122.307 -2.438 1.00 0.00 C ATOM 0 H ALA A 69 -117.269-120.256 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.651-121.566 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.963-122.970 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.737-122.858 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.849-121.933 -3.461 1.00 0.00 H new ATOM 552 N ALA A 70 -113.588-120.112 -0.677 1.00 0.00 N ATOM 553 CA ALA A 70 -112.570-119.078 -0.728 1.00 0.00 C ATOM 554 C ALA A 70 -111.559-119.284 0.369 1.00 0.00 C ATOM 555 O ALA A 70 -111.916-119.607 1.501 1.00 0.00 O ATOM 556 CB ALA A 70 -113.265-117.708 -0.465 1.00 0.00 C ATOM 0 H ALA A 70 -113.602-120.668 0.178 1.00 0.00 H new ATOM 0 HA ALA A 70 -112.075-119.109 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -112.522-116.911 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -114.021-117.531 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -113.739-117.723 0.517 1.00 0.00 H new ATOM 562 N HIS A 71 -110.261-119.032 0.113 1.00 0.00 N ATOM 563 CA HIS A 71 -109.188-119.102 1.088 1.00 0.00 C ATOM 564 C HIS A 71 -108.546-117.719 1.299 1.00 0.00 C ATOM 565 O HIS A 71 -107.990-117.150 0.361 1.00 0.00 O ATOM 566 CB HIS A 71 -108.092-120.071 0.592 1.00 0.00 C ATOM 567 CG HIS A 71 -107.102-120.494 1.645 1.00 0.00 C ATOM 568 ND1 HIS A 71 -105.808-120.840 1.345 1.00 0.00 N ATOM 569 CD2 HIS A 71 -107.260-120.752 2.973 1.00 0.00 C ATOM 570 CE1 HIS A 71 -105.240-121.278 2.497 1.00 0.00 C ATOM 571 NE2 HIS A 71 -106.089-121.254 3.510 1.00 0.00 N ATOM 0 H HIS A 71 -109.933-118.766 -0.815 1.00 0.00 H new ATOM 0 HA HIS A 71 -109.614-119.453 2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -108.571-120.961 0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.551-119.597 -0.227 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -108.172-120.588 3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -104.215-121.608 2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -105.918-121.542 4.474 1.00 0.00 H new ATOM 579 N VAL A 72 -108.563-117.168 2.543 1.00 0.00 N ATOM 580 CA VAL A 72 -107.889-115.931 2.961 1.00 0.00 C ATOM 581 C VAL A 72 -106.863-116.437 3.994 1.00 0.00 C ATOM 582 O VAL A 72 -107.283-116.767 5.100 1.00 0.00 O ATOM 583 CB VAL A 72 -108.860-114.928 3.656 1.00 0.00 C ATOM 584 CG1 VAL A 72 -108.138-113.732 4.294 1.00 0.00 C ATOM 585 CG2 VAL A 72 -109.991-114.290 2.817 1.00 0.00 C ATOM 0 H VAL A 72 -109.075-117.604 3.310 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.465-115.393 2.113 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.312-115.614 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -108.869-113.072 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -107.438-114.090 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -107.593-113.184 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -110.576-113.618 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -109.558-113.728 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.638-115.074 2.423 1.00 0.00 H new ATOM 595 N GLN A 73 -105.531-116.544 3.710 1.00 0.00 N ATOM 596 CA GLN A 73 -104.535-117.096 4.653 1.00 0.00 C ATOM 597 C GLN A 73 -103.445-116.084 5.021 1.00 0.00 C ATOM 598 O GLN A 73 -103.210-115.201 4.198 1.00 0.00 O ATOM 599 CB GLN A 73 -103.880-118.399 4.107 1.00 0.00 C ATOM 600 CG GLN A 73 -103.037-118.282 2.814 1.00 0.00 C ATOM 601 CD GLN A 73 -101.949-119.359 2.794 1.00 0.00 C ATOM 602 OE1 GLN A 73 -102.053-120.401 2.144 1.00 0.00 O ATOM 603 NE2 GLN A 73 -100.859-119.107 3.565 1.00 0.00 N ATOM 0 H GLN A 73 -105.128-116.248 2.821 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.091-117.335 5.560 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -103.242-118.809 4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -104.673-119.126 3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -103.680-118.388 1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -102.582-117.293 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -100.798-118.236 4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -100.102-119.788 3.616 1.00 0.00 H new ATOM 612 N PRO A 74 -102.770-116.104 6.202 1.00 0.00 N ATOM 613 CA PRO A 74 -101.756-115.115 6.598 1.00 0.00 C ATOM 614 C PRO A 74 -100.412-115.207 5.840 1.00 0.00 C ATOM 615 O PRO A 74 -99.971-116.298 5.462 1.00 0.00 O ATOM 616 CB PRO A 74 -101.618-115.336 8.119 1.00 0.00 C ATOM 617 CG PRO A 74 -101.984-116.807 8.346 1.00 0.00 C ATOM 618 CD PRO A 74 -103.046-117.063 7.274 1.00 0.00 C ATOM 0 HA PRO A 74 -102.067-114.104 6.337 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -100.603-115.126 8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -102.282-114.675 8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -101.121-117.462 8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -102.374-116.976 9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -102.991-118.087 6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -104.049-116.922 7.676 1.00 0.00 H new ATOM 626 N ILE A 75 -99.762-114.020 5.647 1.00 0.00 N ATOM 627 CA ILE A 75 -98.495-113.798 4.938 1.00 0.00 C ATOM 628 C ILE A 75 -97.272-113.913 5.862 1.00 0.00 C ATOM 629 O ILE A 75 -96.110-113.891 5.454 1.00 0.00 O ATOM 630 CB ILE A 75 -98.599-112.450 4.199 1.00 0.00 C ATOM 631 CG1 ILE A 75 -97.968-112.418 2.778 1.00 0.00 C ATOM 632 CG2 ILE A 75 -98.222-111.225 5.071 1.00 0.00 C ATOM 633 CD1 ILE A 75 -96.442-112.318 2.704 1.00 0.00 C ATOM 0 H ILE A 75 -100.146-113.148 6.011 1.00 0.00 H new ATOM 0 HA ILE A 75 -98.332-114.587 4.204 1.00 0.00 H new ATOM 0 HB ILE A 75 -99.668-112.354 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -98.276-113.320 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -98.391-111.571 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -98.320-110.314 4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -98.888-111.173 5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -97.192-111.326 5.414 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -96.128-112.304 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -96.113-111.401 3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -95.996-113.177 3.206 1.00 0.00 H new ATOM 894 N GLY A 91 -101.088-109.461 7.864 1.00 0.00 N ATOM 895 CA GLY A 91 -101.340-109.201 6.461 1.00 0.00 C ATOM 896 C GLY A 91 -101.854-110.498 5.913 1.00 0.00 C ATOM 897 O GLY A 91 -101.424-111.567 6.357 1.00 0.00 O ATOM 0 HA2 GLY A 91 -102.070-108.401 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.431-108.888 5.948 1.00 0.00 H new ATOM 901 N TYR A 92 -102.800-110.447 4.943 1.00 0.00 N ATOM 902 CA TYR A 92 -103.435-111.614 4.347 1.00 0.00 C ATOM 903 C TYR A 92 -103.206-111.749 2.844 1.00 0.00 C ATOM 904 O TYR A 92 -103.310-110.784 2.090 1.00 0.00 O ATOM 905 CB TYR A 92 -104.959-111.586 4.654 1.00 0.00 C ATOM 906 CG TYR A 92 -105.153-112.271 5.977 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.055-111.713 7.244 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.405-113.607 5.876 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.303-112.500 8.361 1.00 0.00 C ATOM 910 CE2 TYR A 92 -105.708-114.377 6.960 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.662-113.828 8.205 1.00 0.00 C ATOM 912 OH TYR A 92 -106.053-114.659 9.264 1.00 0.00 O ATOM 0 H TYR A 92 -103.139-109.567 4.555 1.00 0.00 H new ATOM 0 HA TYR A 92 -102.964-112.487 4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.326-110.560 4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.520-112.095 3.870 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -104.788-110.673 7.361 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -105.363-114.072 4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.216-112.076 9.351 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -105.982-115.414 6.832 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.261-115.552 8.919 1.00 0.00 H new ATOM 922 N ASN A 93 -102.924-113.003 2.388 1.00 0.00 N ATOM 923 CA ASN A 93 -102.786-113.381 0.983 1.00 0.00 C ATOM 924 C ASN A 93 -103.906-114.370 0.656 1.00 0.00 C ATOM 925 O ASN A 93 -104.093-115.401 1.302 1.00 0.00 O ATOM 926 CB ASN A 93 -101.363-113.879 0.574 1.00 0.00 C ATOM 927 CG ASN A 93 -100.835-115.068 1.381 1.00 0.00 C ATOM 928 OD1 ASN A 93 -100.521-114.940 2.562 1.00 0.00 O ATOM 929 ND2 ASN A 93 -100.710-116.254 0.729 1.00 0.00 N ATOM 0 H ASN A 93 -102.785-113.790 3.022 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.893-112.487 0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -101.380-114.154 -0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -100.662-113.051 0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -100.347-117.070 1.221 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -100.980-116.328 -0.252 1.00 0.00 H new ATOM 936 N ILE A 94 -104.744-114.045 -0.360 1.00 0.00 N ATOM 937 CA ILE A 94 -105.928-114.821 -0.709 1.00 0.00 C ATOM 938 C ILE A 94 -105.794-115.436 -2.087 1.00 0.00 C ATOM 939 O ILE A 94 -105.283-114.820 -3.028 1.00 0.00 O ATOM 940 CB ILE A 94 -107.241-114.013 -0.514 1.00 0.00 C ATOM 941 CG1 ILE A 94 -107.777-113.166 -1.698 1.00 0.00 C ATOM 942 CG2 ILE A 94 -107.018-113.040 0.674 1.00 0.00 C ATOM 943 CD1 ILE A 94 -108.596-113.857 -2.791 1.00 0.00 C ATOM 0 H ILE A 94 -104.603-113.229 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.000-115.653 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.999-114.783 -0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.391-112.368 -1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -106.921-112.692 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -107.923-112.455 0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -106.785-113.611 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -106.189-112.370 0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -108.893-113.124 -3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -107.993-114.634 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -109.486-114.305 -2.350 1.00 0.00 H new ATOM 955 N TYR A 95 -106.333-116.682 -2.242 1.00 0.00 N ATOM 956 CA TYR A 95 -106.495-117.413 -3.493 1.00 0.00 C ATOM 957 C TYR A 95 -108.006-117.735 -3.467 1.00 0.00 C ATOM 958 O TYR A 95 -108.496-118.378 -2.537 1.00 0.00 O ATOM 959 CB TYR A 95 -105.461-118.611 -3.610 1.00 0.00 C ATOM 960 CG TYR A 95 -106.021-120.008 -3.473 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.797-120.523 -4.490 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.955-120.691 -2.279 1.00 0.00 C ATOM 963 CE1 TYR A 95 -107.596-121.627 -4.280 1.00 0.00 C ATOM 964 CE2 TYR A 95 -106.727-121.821 -2.080 1.00 0.00 C ATOM 965 CZ TYR A 95 -107.562-122.298 -3.071 1.00 0.00 C ATOM 966 OH TYR A 95 -108.417-123.395 -2.784 1.00 0.00 O ATOM 0 H TYR A 95 -106.678-117.213 -1.442 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.248-116.883 -4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -104.963-118.537 -4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.695-118.475 -2.846 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -106.779-120.056 -5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -105.298-120.343 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -108.253-121.970 -5.065 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -106.676-122.339 -1.134 1.00 0.00 H new ATOM 0 HH TYR A 95 -108.233-123.726 -1.880 1.00 0.00 H new ATOM 976 N THR A 96 -108.837-117.208 -4.399 1.00 0.00 N ATOM 977 CA THR A 96 -110.288-117.472 -4.426 1.00 0.00 C ATOM 978 C THR A 96 -110.714-117.616 -5.897 1.00 0.00 C ATOM 979 O THR A 96 -110.067-116.977 -6.734 1.00 0.00 O ATOM 980 CB THR A 96 -111.027-116.422 -3.569 1.00 0.00 C ATOM 981 OG1 THR A 96 -110.593-116.589 -2.216 1.00 0.00 O ATOM 982 CG2 THR A 96 -112.560-116.528 -3.562 1.00 0.00 C ATOM 0 H THR A 96 -108.518-116.592 -5.147 1.00 0.00 H new ATOM 0 HA THR A 96 -110.569-118.414 -3.955 1.00 0.00 H new ATOM 0 HB THR A 96 -110.786-115.455 -4.010 1.00 0.00 H new ATOM 0 HG1 THR A 96 -109.939-117.317 -2.170 1.00 0.00 H new ATOM 0 HG21 THR A 96 -112.976-115.744 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 96 -112.937-116.413 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 96 -112.856-117.502 -3.173 1.00 0.00 H new ATOM 990 N PRO A 97 -111.725-118.413 -6.373 1.00 0.00 N ATOM 991 CA PRO A 97 -112.222-118.399 -7.770 1.00 0.00 C ATOM 992 C PRO A 97 -112.988-117.086 -8.084 1.00 0.00 C ATOM 993 O PRO A 97 -113.816-116.672 -7.274 1.00 0.00 O ATOM 994 CB PRO A 97 -113.110-119.659 -7.842 1.00 0.00 C ATOM 995 CG PRO A 97 -113.628-119.849 -6.410 1.00 0.00 C ATOM 996 CD PRO A 97 -112.434-119.402 -5.562 1.00 0.00 C ATOM 0 HA PRO A 97 -111.430-118.421 -8.518 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -113.931-119.526 -8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -112.541-120.527 -8.176 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.513-119.243 -6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -113.901-120.885 -6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -112.764-118.970 -4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -111.788-120.246 -5.319 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.619-116.409 -9.210 1.00 0.00 N ATOM 1005 CA TYR A 98 -112.948-115.110 -9.822 1.00 0.00 C ATOM 1006 C TYR A 98 -113.545-113.931 -9.021 1.00 0.00 C ATOM 1007 O TYR A 98 -114.059-112.960 -9.570 1.00 0.00 O ATOM 1008 CB TYR A 98 -113.614-115.299 -11.214 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.195-114.238 -12.218 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -111.878-114.099 -12.646 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -114.141-113.355 -12.707 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -111.541-113.150 -13.590 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -113.802-112.398 -13.638 1.00 0.00 C ATOM 1014 CZ TYR A 98 -112.507-112.310 -14.093 1.00 0.00 C ATOM 1015 OH TYR A 98 -112.162-111.344 -15.057 1.00 0.00 O ATOM 0 H TYR A 98 -111.946-116.874 -9.820 1.00 0.00 H new ATOM 0 HA TYR A 98 -111.940-114.700 -9.887 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -113.356-116.284 -11.604 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -114.698-115.276 -11.099 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.112-114.740 -12.235 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -115.160-113.417 -12.354 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -110.520-113.067 -13.933 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -114.553-111.717 -14.011 1.00 0.00 H new ATOM 0 HH TYR A 98 -112.960-110.833 -15.309 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.438-113.972 -7.678 1.00 0.00 N ATOM 1026 CA ASP A 99 -113.898-112.953 -6.741 1.00 0.00 C ATOM 1027 C ASP A 99 -112.748-112.079 -6.263 1.00 0.00 C ATOM 1028 O ASP A 99 -111.683-112.563 -5.881 1.00 0.00 O ATOM 1029 CB ASP A 99 -114.599-113.545 -5.480 1.00 0.00 C ATOM 1030 CG ASP A 99 -115.876-114.295 -5.872 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -116.764-113.660 -6.502 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -115.983-115.504 -5.534 1.00 0.00 O ATOM 0 H ASP A 99 -113.004-114.763 -7.202 1.00 0.00 H new ATOM 0 HA ASP A 99 -114.624-112.365 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -113.918-114.221 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -114.842-112.743 -4.783 1.00 0.00 H new ATOM 1037 N ASP A 100 -112.991-110.747 -6.254 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.079-109.694 -5.796 1.00 0.00 C ATOM 1039 C ASP A 100 -112.773-108.898 -4.692 1.00 0.00 C ATOM 1040 O ASP A 100 -112.495-107.729 -4.435 1.00 0.00 O ATOM 1041 CB ASP A 100 -111.608-108.775 -6.971 1.00 0.00 C ATOM 1042 CG ASP A 100 -112.728-108.414 -7.961 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -113.626-107.614 -7.586 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -112.689-108.935 -9.107 1.00 0.00 O ATOM 0 H ASP A 100 -113.878-110.367 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.173-110.150 -5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -111.191-107.857 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -110.804-109.275 -7.512 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.754-109.578 -4.058 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.689-109.054 -3.093 1.00 0.00 C ATOM 1051 C ARG A 101 -114.300-109.293 -1.641 1.00 0.00 C ATOM 1052 O ARG A 101 -115.011-108.849 -0.750 1.00 0.00 O ATOM 1053 CB ARG A 101 -116.074-109.698 -3.375 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.550-109.625 -4.836 1.00 0.00 C ATOM 1055 CD ARG A 101 -117.889-110.355 -5.023 1.00 0.00 C ATOM 1056 NE ARG A 101 -118.257-110.323 -6.480 1.00 0.00 N ATOM 1057 CZ ARG A 101 -119.291-111.054 -7.002 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -120.049-111.865 -6.206 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -119.565-110.974 -8.338 1.00 0.00 N ATOM 0 H ARG A 101 -113.906-110.571 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 101 -114.703-107.971 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -116.037-110.745 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.817-109.211 -2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.657-108.582 -5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -115.798-110.068 -5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -117.809-111.385 -4.676 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -118.666-109.877 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 101 -117.713-109.731 -7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -119.848-111.932 -5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -120.816-112.403 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -119.001-110.373 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -120.333-111.515 -8.734 1.00 0.00 H new ATOM 1073 N ILE A 102 -113.179-110.020 -1.340 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.630-110.400 -0.058 1.00 0.00 C ATOM 1075 C ILE A 102 -112.288-109.222 0.863 1.00 0.00 C ATOM 1076 O ILE A 102 -112.995-108.992 1.840 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.449-111.327 -0.375 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -111.926-112.663 -1.025 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -110.591-111.628 0.865 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -112.128-112.639 -2.550 1.00 0.00 C ATOM 0 H ILE A 102 -112.595-110.379 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.376-110.920 0.543 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.828-110.789 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -111.199-113.439 -0.787 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -112.867-112.955 -0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -109.769-112.288 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -110.190-110.697 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -111.205-112.113 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -112.459-113.621 -2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -112.881-111.894 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -111.187-112.386 -3.038 1.00 0.00 H new ATOM 1092 N ASP A 103 -111.220-108.447 0.571 1.00 0.00 N ATOM 1093 CA ASP A 103 -110.821-107.273 1.339 1.00 0.00 C ATOM 1094 C ASP A 103 -110.612-106.143 0.353 1.00 0.00 C ATOM 1095 O ASP A 103 -110.542-106.371 -0.854 1.00 0.00 O ATOM 1096 CB ASP A 103 -109.534-107.466 2.197 1.00 0.00 C ATOM 1097 CG ASP A 103 -109.812-108.309 3.443 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -110.509-107.790 4.356 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -109.313-109.465 3.510 1.00 0.00 O ATOM 0 H ASP A 103 -110.607-108.634 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 103 -111.613-107.064 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.763-107.947 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -109.144-106.492 2.495 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.520-104.921 0.924 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.351-103.599 0.331 1.00 0.00 C ATOM 1106 C LYS A 104 -111.400-102.723 0.989 1.00 0.00 C ATOM 1107 O LYS A 104 -112.224-102.119 0.313 1.00 0.00 O ATOM 1108 CB LYS A 104 -110.381-103.476 -1.237 1.00 0.00 C ATOM 1109 CG LYS A 104 -110.065-102.090 -1.850 1.00 0.00 C ATOM 1110 CD LYS A 104 -108.776-101.426 -1.338 1.00 0.00 C ATOM 1111 CE LYS A 104 -108.430-100.113 -2.056 1.00 0.00 C ATOM 1112 NZ LYS A 104 -108.139-100.342 -3.492 1.00 0.00 N ATOM 0 H LYS A 104 -110.570-104.843 1.940 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.325-103.288 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -109.670-104.194 -1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -111.371-103.778 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -109.994-102.197 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -110.903-101.422 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -108.878-101.230 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -107.947-102.124 -1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -109.260 -99.414 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -107.566 -99.651 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -107.716 -99.485 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -107.475-101.137 -3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -109.022-100.565 -3.994 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.383-102.657 2.352 1.00 0.00 N ATOM 1127 CA LYS A 105 -112.266-101.895 3.241 1.00 0.00 C ATOM 1128 C LYS A 105 -113.534-102.655 3.694 1.00 0.00 C ATOM 1129 O LYS A 105 -114.655-102.149 3.605 1.00 0.00 O ATOM 1130 CB LYS A 105 -112.556-100.438 2.750 1.00 0.00 C ATOM 1131 CG LYS A 105 -112.962 -99.424 3.834 1.00 0.00 C ATOM 1132 CD LYS A 105 -113.131 -97.999 3.283 1.00 0.00 C ATOM 1133 CE LYS A 105 -113.541 -96.994 4.367 1.00 0.00 C ATOM 1134 NZ LYS A 105 -113.688 -95.632 3.804 1.00 0.00 N ATOM 0 H LYS A 105 -110.690-103.183 2.885 1.00 0.00 H new ATOM 0 HA LYS A 105 -111.680-101.779 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -111.665-100.063 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -113.350-100.479 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -113.897 -99.745 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -112.207 -99.418 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -112.195 -97.676 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -113.883 -98.005 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -114.482 -97.307 4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -112.793 -96.984 5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -113.966 -94.973 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -112.783 -95.327 3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -114.419 -95.639 3.064 1.00 0.00 H new ATOM 1148 N MET A 106 -113.374-103.913 4.219 1.00 0.00 N ATOM 1149 CA MET A 106 -114.529-104.739 4.672 1.00 0.00 C ATOM 1150 C MET A 106 -114.163-105.805 5.729 1.00 0.00 C ATOM 1151 O MET A 106 -112.996-105.952 6.095 1.00 0.00 O ATOM 1152 CB MET A 106 -115.337-105.277 3.473 1.00 0.00 C ATOM 1153 CG MET A 106 -114.622-106.204 2.485 1.00 0.00 C ATOM 1154 SD MET A 106 -115.512-106.300 0.905 1.00 0.00 S ATOM 1155 CE MET A 106 -114.743-104.830 0.165 1.00 0.00 C ATOM 0 H MET A 106 -112.467-104.366 4.335 1.00 0.00 H new ATOM 0 HA MET A 106 -115.199-104.074 5.217 1.00 0.00 H new ATOM 0 HB2 MET A 106 -116.203-105.810 3.865 1.00 0.00 H new ATOM 0 HB3 MET A 106 -115.716-104.421 2.914 1.00 0.00 H new ATOM 0 HG2 MET A 106 -113.608-105.842 2.312 1.00 0.00 H new ATOM 0 HG3 MET A 106 -114.535-107.201 2.917 1.00 0.00 H new ATOM 0 HE1 MET A 106 -115.428-104.385 -0.557 1.00 0.00 H new ATOM 0 HE2 MET A 106 -114.518-104.105 0.947 1.00 0.00 H new ATOM 0 HE3 MET A 106 -113.821-105.117 -0.340 1.00 0.00 H new ATOM 1165 N ARG A 107 -115.161-106.565 6.299 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.971-107.540 7.387 1.00 0.00 C ATOM 1167 C ARG A 107 -115.024-108.977 6.894 1.00 0.00 C ATOM 1168 O ARG A 107 -115.985-109.430 6.272 1.00 0.00 O ATOM 1169 CB ARG A 107 -116.017-107.364 8.524 1.00 0.00 C ATOM 1170 CG ARG A 107 -115.851-106.073 9.342 1.00 0.00 C ATOM 1171 CD ARG A 107 -114.537-106.007 10.134 1.00 0.00 C ATOM 1172 NE ARG A 107 -114.525-104.731 10.934 1.00 0.00 N ATOM 1173 CZ ARG A 107 -113.782-104.559 12.073 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -113.038-105.580 12.589 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -113.790-103.346 12.700 1.00 0.00 N ATOM 0 H ARG A 107 -116.132-106.500 5.994 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.975-107.337 7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -117.016-107.378 8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -115.951-108.218 9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -115.902-105.218 8.668 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -116.687-105.983 10.035 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -114.449-106.869 10.795 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -113.684-106.037 9.456 1.00 0.00 H new ATOM 0 HE ARG A 107 -115.100-103.953 10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -113.029-106.489 12.126 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -112.491-105.434 13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -114.345-102.579 12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -113.241-103.207 13.548 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.950-109.756 7.153 1.00 0.00 N ATOM 1190 CA VAL A 108 -113.825-111.100 6.579 1.00 0.00 C ATOM 1191 C VAL A 108 -113.833-112.186 7.658 1.00 0.00 C ATOM 1192 O VAL A 108 -113.019-112.125 8.582 1.00 0.00 O ATOM 1193 CB VAL A 108 -112.514-111.056 5.804 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -112.025-112.429 5.321 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -112.684-110.101 4.613 1.00 0.00 C ATOM 0 H VAL A 108 -113.171-109.476 7.748 1.00 0.00 H new ATOM 0 HA VAL A 108 -114.667-111.358 5.937 1.00 0.00 H new ATOM 0 HB VAL A 108 -111.744-110.701 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -111.087-112.311 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -111.868-113.082 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -112.772-112.870 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -111.754-110.057 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.485-110.462 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -112.934-109.105 4.978 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.758-113.203 7.569 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.867-114.292 8.534 1.00 0.00 C ATOM 1207 C ILE A 109 -114.483-115.634 7.908 1.00 0.00 C ATOM 1208 O ILE A 109 -115.271-116.281 7.201 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.300-114.419 9.108 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -116.867-113.079 9.649 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.370-115.512 10.209 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -116.073-112.465 10.806 1.00 0.00 C ATOM 0 H ILE A 109 -115.439-113.265 6.812 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.176-114.047 9.341 1.00 0.00 H new ATOM 0 HB ILE A 109 -116.929-114.714 8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.904-112.360 8.831 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -117.894-113.241 9.977 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.388-115.577 10.592 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -116.079-116.474 9.786 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.692-115.253 11.022 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -116.544-111.532 11.116 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -116.057-113.160 11.645 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -115.052-112.265 10.481 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.271-116.108 8.330 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.647-117.407 8.102 1.00 0.00 C ATOM 1226 C TYR A 110 -112.927-118.305 9.275 1.00 0.00 C ATOM 1227 O TYR A 110 -112.200-118.288 10.257 1.00 0.00 O ATOM 1228 CB TYR A 110 -111.090-117.268 7.961 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.887-117.110 6.507 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -111.410-115.986 5.913 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -110.563-118.221 5.755 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -111.816-116.058 4.609 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -110.874-118.246 4.414 1.00 0.00 C ATOM 1234 CZ TYR A 110 -111.530-117.170 3.863 1.00 0.00 C ATOM 1235 OH TYR A 110 -111.992-117.199 2.548 1.00 0.00 O ATOM 0 H TYR A 110 -112.663-115.513 8.893 1.00 0.00 H new ATOM 0 HA TYR A 110 -113.058-117.822 7.182 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.712-116.408 8.515 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.572-118.147 8.345 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -111.499-115.063 6.466 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -110.069-119.064 6.215 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -112.362-115.238 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -110.607-119.097 3.805 1.00 0.00 H new ATOM 0 HH TYR A 110 -112.337-118.093 2.342 1.00 0.00 H new ATOM 1245 N ARG A 111 -114.038-119.098 9.216 1.00 0.00 N ATOM 1246 CA ARG A 111 -114.542-120.053 10.215 1.00 0.00 C ATOM 1247 C ARG A 111 -114.629-119.557 11.671 1.00 0.00 C ATOM 1248 O ARG A 111 -114.342-120.276 12.624 1.00 0.00 O ATOM 1249 CB ARG A 111 -113.777-121.402 10.115 1.00 0.00 C ATOM 1250 CG ARG A 111 -113.891-122.099 8.744 1.00 0.00 C ATOM 1251 CD ARG A 111 -115.303-122.635 8.457 1.00 0.00 C ATOM 1252 NE ARG A 111 -115.240-123.581 7.286 1.00 0.00 N ATOM 1253 CZ ARG A 111 -116.260-124.438 6.966 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -117.442-124.403 7.647 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -116.093-125.337 5.953 1.00 0.00 N ATOM 0 H ARG A 111 -114.644-119.073 8.396 1.00 0.00 H new ATOM 0 HA ARG A 111 -115.589-120.192 9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -112.724-121.225 10.333 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -114.153-122.077 10.884 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -113.610-121.395 7.961 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -113.180-122.924 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -115.697-123.148 9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -115.982-121.810 8.239 1.00 0.00 H new ATOM 0 HE ARG A 111 -114.401-123.584 6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -117.574-123.733 8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -118.193-125.047 7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -115.213-125.368 5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -116.849-125.978 5.710 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.983-118.255 11.833 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.951-117.506 13.092 1.00 0.00 C ATOM 1271 C GLY A 112 -113.684-116.722 13.397 1.00 0.00 C ATOM 1272 O GLY A 112 -113.643-116.043 14.418 1.00 0.00 O ATOM 0 H GLY A 112 -115.310-117.687 11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.789-116.809 13.093 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -115.120-118.208 13.908 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.625-116.761 12.534 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.366-116.019 12.682 1.00 0.00 C ATOM 1278 C LYS A 113 -111.451-114.678 11.948 1.00 0.00 C ATOM 1279 O LYS A 113 -111.818-114.616 10.768 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.158-116.850 12.157 1.00 0.00 C ATOM 1281 CG LYS A 113 -108.737-116.264 12.319 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.171-116.277 13.751 1.00 0.00 C ATOM 1283 CE LYS A 113 -108.521-115.054 14.609 1.00 0.00 C ATOM 1284 NZ LYS A 113 -107.847-115.132 15.927 1.00 0.00 N ATOM 0 H LYS A 113 -112.641-117.335 11.691 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.207-115.830 13.744 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.177-117.817 12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -110.321-117.038 11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -108.058-116.822 11.674 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -108.745-115.235 11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -108.533-117.171 14.258 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -107.086-116.361 13.694 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -108.219-114.143 14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -109.601-114.998 14.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -108.095-114.296 16.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -108.155-115.992 16.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -106.817-115.163 15.789 1.00 0.00 H new ATOM 1298 N ILE A 114 -111.121-113.570 12.675 1.00 0.00 N ATOM 1299 CA ILE A 114 -111.213-112.180 12.234 1.00 0.00 C ATOM 1300 C ILE A 114 -110.002-111.703 11.432 1.00 0.00 C ATOM 1301 O ILE A 114 -108.860-111.662 11.889 1.00 0.00 O ATOM 1302 CB ILE A 114 -111.529-111.242 13.423 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -112.850-111.674 14.129 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -111.610-109.739 13.013 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -114.119-111.356 13.324 1.00 0.00 C ATOM 0 H ILE A 114 -110.768-113.646 13.629 1.00 0.00 H new ATOM 0 HA ILE A 114 -112.048-112.138 11.534 1.00 0.00 H new ATOM 0 HB ILE A 114 -110.694-111.338 14.118 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -112.813-112.746 14.322 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -112.912-111.178 15.097 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -111.834-109.134 13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -110.656-109.425 12.590 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -112.397-109.606 12.270 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -114.996-111.686 13.881 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -114.182-110.281 13.153 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -114.081-111.874 12.366 1.00 0.00 H new ATOM 1317 N VAL A 115 -110.299-111.271 10.171 1.00 0.00 N ATOM 1318 CA VAL A 115 -109.390-110.661 9.208 1.00 0.00 C ATOM 1319 C VAL A 115 -109.930-109.238 9.012 1.00 0.00 C ATOM 1320 O VAL A 115 -111.139-109.071 8.812 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.349-111.451 7.904 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.361-110.794 6.922 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -108.966-112.912 8.195 1.00 0.00 C ATOM 0 H VAL A 115 -111.244-111.354 9.797 1.00 0.00 H new ATOM 0 HA VAL A 115 -108.358-110.651 9.559 1.00 0.00 H new ATOM 0 HB VAL A 115 -110.335-111.445 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -108.338-111.364 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.680-109.773 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -107.365-110.779 7.364 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.938-113.474 7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -107.984-112.944 8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.704-113.356 8.863 1.00 0.00 H new ATOM 1333 N THR A 116 -109.057-108.190 9.154 1.00 0.00 N ATOM 1334 CA THR A 116 -109.468-106.785 9.240 1.00 0.00 C ATOM 1335 C THR A 116 -109.132-105.892 8.059 1.00 0.00 C ATOM 1336 O THR A 116 -107.990-105.461 7.900 1.00 0.00 O ATOM 1337 CB THR A 116 -108.911-106.066 10.492 1.00 0.00 C ATOM 1338 OG1 THR A 116 -108.913-106.913 11.632 1.00 0.00 O ATOM 1339 CG2 THR A 116 -109.786-104.852 10.863 1.00 0.00 C ATOM 0 H THR A 116 -108.047-108.318 9.210 1.00 0.00 H new ATOM 0 HA THR A 116 -110.551-106.904 9.275 1.00 0.00 H new ATOM 0 HB THR A 116 -107.895-105.767 10.236 1.00 0.00 H new ATOM 0 HG1 THR A 116 -108.553-106.426 12.402 1.00 0.00 H new ATOM 0 HG21 THR A 116 -109.374-104.363 11.746 1.00 0.00 H new ATOM 0 HG22 THR A 116 -109.801-104.147 10.032 1.00 0.00 H new ATOM 0 HG23 THR A 116 -110.802-105.186 11.074 1.00 0.00 H new ATOM 1347 N PHE A 117 -110.191-105.490 7.301 1.00 0.00 N ATOM 1348 CA PHE A 117 -110.261-104.398 6.347 1.00 0.00 C ATOM 1349 C PHE A 117 -109.449-104.366 5.076 1.00 0.00 C ATOM 1350 O PHE A 117 -110.069-104.383 4.006 1.00 0.00 O ATOM 1351 CB PHE A 117 -110.287-103.010 7.081 1.00 0.00 C ATOM 1352 CG PHE A 117 -111.702-102.520 7.314 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -112.710-103.344 7.797 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -112.034-101.216 6.985 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -114.011-102.890 7.862 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -113.335-100.765 7.058 1.00 0.00 C ATOM 1357 CZ PHE A 117 -114.337-101.616 7.468 1.00 0.00 C ATOM 0 H PHE A 117 -111.084-105.979 7.364 1.00 0.00 H new ATOM 0 HA PHE A 117 -111.211-104.653 5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -109.770-103.095 8.037 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -109.742-102.276 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -112.474-104.346 8.124 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -111.257-100.538 6.664 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -114.785-103.547 8.229 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -113.568 -99.744 6.794 1.00 0.00 H new ATOM 0 HZ PHE A 117 -115.365-101.286 7.479 1.00 0.00 H new ATOM 1367 N ILE A 118 -108.099-104.235 5.199 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.118-103.988 4.144 1.00 0.00 C ATOM 1369 C ILE A 118 -106.676-105.148 3.239 1.00 0.00 C ATOM 1370 O ILE A 118 -106.374-106.262 3.667 1.00 0.00 O ATOM 1371 CB ILE A 118 -105.894-103.279 4.744 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -105.332-104.024 5.983 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -106.333-101.842 5.110 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -103.959-103.513 6.432 1.00 0.00 C ATOM 0 H ILE A 118 -107.651-104.307 6.113 1.00 0.00 H new ATOM 0 HA ILE A 118 -107.673-103.367 3.441 1.00 0.00 H new ATOM 0 HB ILE A 118 -105.083-103.265 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -106.036-103.923 6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -105.259-105.087 5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -105.490-101.303 5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -106.673-101.326 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -107.146-101.883 5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -103.627-104.079 7.303 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -103.241-103.640 5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -104.031-102.457 6.691 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.577-104.826 1.921 1.00 0.00 N ATOM 1387 CA GLY A 119 -106.000-105.669 0.877 1.00 0.00 C ATOM 1388 C GLY A 119 -106.351-105.077 -0.467 1.00 0.00 C ATOM 1389 O GLY A 119 -107.378-104.421 -0.569 1.00 0.00 O ATOM 0 H GLY A 119 -106.915-103.934 1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.918-105.728 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.385-106.686 0.955 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.523-105.273 -1.535 1.00 0.00 N ATOM 1394 CA ASP A 120 -105.745-104.770 -2.901 1.00 0.00 C ATOM 1395 C ASP A 120 -105.966-105.921 -3.914 1.00 0.00 C ATOM 1396 O ASP A 120 -105.276-106.937 -3.795 1.00 0.00 O ATOM 1397 CB ASP A 120 -104.534-103.923 -3.393 1.00 0.00 C ATOM 1398 CG ASP A 120 -104.333-102.716 -2.471 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -105.252-101.857 -2.413 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -103.259-102.641 -1.815 1.00 0.00 O ATOM 0 H ASP A 120 -104.657-105.805 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 120 -106.642-104.153 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -103.632-104.535 -3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -104.706-103.586 -4.415 1.00 0.00 H new ATOM 1405 N PRO A 121 -106.895-105.851 -4.903 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.200-106.931 -5.856 1.00 0.00 C ATOM 1407 C PRO A 121 -106.351-106.965 -7.147 1.00 0.00 C ATOM 1408 O PRO A 121 -106.037-105.923 -7.715 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.683-106.644 -6.173 1.00 0.00 C ATOM 1410 CG PRO A 121 -108.811-105.116 -6.131 1.00 0.00 C ATOM 1411 CD PRO A 121 -107.830-104.729 -5.027 1.00 0.00 C ATOM 0 HA PRO A 121 -106.977-107.908 -5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.960-107.036 -7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -109.341-107.115 -5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -108.547-104.661 -7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -109.828-104.801 -5.898 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -107.303-103.809 -5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.352-104.551 -4.087 1.00 0.00 H new ATOM 1419 N VAL A 122 -106.024-108.193 -7.659 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.334-108.504 -8.921 1.00 0.00 C ATOM 1421 C VAL A 122 -106.105-109.614 -9.669 1.00 0.00 C ATOM 1422 O VAL A 122 -106.465-110.638 -9.081 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.883-108.979 -8.667 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -103.165-109.531 -9.926 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.055-107.804 -8.107 1.00 0.00 C ATOM 0 H VAL A 122 -106.261-109.044 -7.150 1.00 0.00 H new ATOM 0 HA VAL A 122 -105.300-107.595 -9.521 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.955-109.804 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -102.154-109.842 -9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.718-110.386 -10.314 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -103.118-108.753 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.032-108.133 -7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.051-106.986 -8.827 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.496-107.461 -7.171 1.00 0.00 H new ATOM 1435 N ASP A 123 -106.323-109.506 -11.014 1.00 0.00 N ATOM 1436 CA ASP A 123 -106.875-110.591 -11.837 1.00 0.00 C ATOM 1437 C ASP A 123 -105.661-111.209 -12.520 1.00 0.00 C ATOM 1438 O ASP A 123 -105.109-110.687 -13.485 1.00 0.00 O ATOM 1439 CB ASP A 123 -108.006-110.186 -12.841 1.00 0.00 C ATOM 1440 CG ASP A 123 -107.717-108.921 -13.665 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -107.707-107.809 -13.073 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -107.517-109.058 -14.901 1.00 0.00 O ATOM 0 H ASP A 123 -106.116-108.659 -11.543 1.00 0.00 H new ATOM 0 HA ASP A 123 -107.412-111.298 -11.205 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -108.179-111.016 -13.526 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -108.930-110.035 -12.283 1.00 0.00 H new ATOM 1520 N GLU A 129 -111.371-117.554 -14.293 1.00 0.00 N ATOM 1521 CA GLU A 129 -110.797-118.615 -13.471 1.00 0.00 C ATOM 1522 C GLU A 129 -110.418-118.136 -12.070 1.00 0.00 C ATOM 1523 O GLU A 129 -111.284-117.921 -11.228 1.00 0.00 O ATOM 1524 CB GLU A 129 -109.579-119.272 -14.193 1.00 0.00 C ATOM 1525 CG GLU A 129 -109.905-119.860 -15.582 1.00 0.00 C ATOM 1526 CD GLU A 129 -110.960-120.961 -15.475 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -110.690-121.977 -14.781 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -112.048-120.801 -16.092 1.00 0.00 O ATOM 0 HA GLU A 129 -111.572-119.370 -13.338 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -108.791-118.526 -14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -109.181-120.065 -13.560 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -110.264-119.069 -16.241 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -108.998-120.263 -16.033 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.101-117.981 -11.767 1.00 0.00 N ATOM 1536 CA ILE A 130 -108.563-117.595 -10.463 1.00 0.00 C ATOM 1537 C ILE A 130 -108.229-116.099 -10.355 1.00 0.00 C ATOM 1538 O ILE A 130 -107.546-115.517 -11.211 1.00 0.00 O ATOM 1539 CB ILE A 130 -107.392-118.530 -10.087 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -107.333-118.838 -8.570 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -106.013-118.094 -10.653 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -108.442-119.797 -8.114 1.00 0.00 C ATOM 0 H ILE A 130 -108.369-118.131 -12.461 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.347-117.730 -9.717 1.00 0.00 H new ATOM 0 HB ILE A 130 -107.621-119.467 -10.594 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -106.362-119.272 -8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -107.413-117.906 -8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -105.250-118.806 -10.340 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -106.059-118.066 -11.742 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -105.761-117.103 -10.275 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -108.350-119.976 -7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -109.415-119.355 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -108.349-120.742 -8.649 1.00 0.00 H new ATOM 1554 N THR A 131 -108.710-115.457 -9.251 1.00 0.00 N ATOM 1555 CA THR A 131 -108.478-114.048 -8.916 1.00 0.00 C ATOM 1556 C THR A 131 -107.836-114.040 -7.526 1.00 0.00 C ATOM 1557 O THR A 131 -108.131-114.862 -6.649 1.00 0.00 O ATOM 1558 CB THR A 131 -109.735-113.176 -9.095 1.00 0.00 C ATOM 1559 OG1 THR A 131 -109.965-112.970 -10.491 1.00 0.00 O ATOM 1560 CG2 THR A 131 -109.677-111.772 -8.460 1.00 0.00 C ATOM 0 H THR A 131 -109.286-115.934 -8.558 1.00 0.00 H new ATOM 0 HA THR A 131 -107.792-113.567 -9.613 1.00 0.00 H new ATOM 0 HB THR A 131 -110.522-113.731 -8.585 1.00 0.00 H new ATOM 0 HG1 THR A 131 -110.586-113.651 -10.824 1.00 0.00 H new ATOM 0 HG21 THR A 131 -110.614-111.248 -8.648 1.00 0.00 H new ATOM 0 HG22 THR A 131 -109.523-111.865 -7.385 1.00 0.00 H new ATOM 0 HG23 THR A 131 -108.853-111.209 -8.897 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.852-113.117 -7.334 1.00 0.00 N ATOM 1569 CA ARG A 132 -106.031-112.966 -6.141 1.00 0.00 C ATOM 1570 C ARG A 132 -106.110-111.544 -5.592 1.00 0.00 C ATOM 1571 O ARG A 132 -106.106-110.560 -6.321 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.560-113.407 -6.382 1.00 0.00 C ATOM 1573 CG ARG A 132 -104.435-114.869 -6.872 1.00 0.00 C ATOM 1574 CD ARG A 132 -103.105-115.540 -6.498 1.00 0.00 C ATOM 1575 NE ARG A 132 -103.093-115.768 -5.010 1.00 0.00 N ATOM 1576 CZ ARG A 132 -102.003-116.221 -4.316 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -100.829-116.495 -4.957 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -102.097-116.400 -2.966 1.00 0.00 N ATOM 0 H ARG A 132 -106.614-112.434 -8.054 1.00 0.00 H new ATOM 0 HA ARG A 132 -106.438-113.636 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -104.104-112.744 -7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.996-113.291 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -105.255-115.453 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -104.549-114.889 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -102.995-116.486 -7.028 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -102.266-114.910 -6.792 1.00 0.00 H new ATOM 0 HE ARG A 132 -103.947-115.574 -4.488 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -100.756-116.363 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -100.025-116.832 -4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -102.973-116.197 -2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -101.291-116.737 -2.439 1.00 0.00 H new ATOM 1592 N ILE A 133 -106.201-111.378 -4.250 1.00 0.00 N ATOM 1593 CA ILE A 133 -106.177-110.066 -3.585 1.00 0.00 C ATOM 1594 C ILE A 133 -105.082-110.154 -2.526 1.00 0.00 C ATOM 1595 O ILE A 133 -104.941-111.173 -1.848 1.00 0.00 O ATOM 1596 CB ILE A 133 -107.534-109.482 -3.111 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -107.910-109.679 -1.624 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -108.685-109.906 -4.055 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -107.519-108.488 -0.756 1.00 0.00 C ATOM 0 H ILE A 133 -106.293-112.159 -3.601 1.00 0.00 H new ATOM 0 HA ILE A 133 -105.944-109.296 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 133 -107.379-108.405 -3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -108.984-109.845 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -107.420-110.576 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -109.623-109.482 -3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -108.482-109.542 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -108.761-110.993 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -107.807-108.681 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -106.441-108.336 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -108.030-107.594 -1.114 1.00 0.00 H new