USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 489 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 HIS : no HE2:sc= 0.179 K(o=2,f=-1.2) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.469 K(o=2,f=-1.2) USER MOD Set 1.3: A 110 TYR OH : rot -10:sc= 1.34 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.42 K(o=-0.42,f=-2.2!) 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 24:sc= 1.27 USER MOD Single : A 92 TYR OH : rot -131:sc= 0.65 USER MOD Single : A 93 ASN : amide:sc= 1 K(o=1,f=-1.1) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -69:sc= -0.669 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -130:sc= 0.0248 (180deg=-0.357) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -176:sc= 0 (180deg=-0.0195) USER MOD Single : A 113 LYS NZ :NH3+ 176:sc= -0.206 (180deg=-0.239) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.027 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -112.812-124.715 1.207 1.00 0.00 N ATOM 114 CA ASP A 41 -113.897-124.638 2.192 1.00 0.00 C ATOM 115 C ASP A 41 -114.698-123.377 1.934 1.00 0.00 C ATOM 116 O ASP A 41 -114.198-122.452 1.296 1.00 0.00 O ATOM 117 CB ASP A 41 -113.374-124.638 3.654 1.00 0.00 C ATOM 118 CG ASP A 41 -112.613-125.940 3.915 1.00 0.00 C ATOM 119 OD1 ASP A 41 -113.271-127.014 3.943 1.00 0.00 O ATOM 120 OD2 ASP A 41 -111.366-125.879 4.082 1.00 0.00 O ATOM 0 HA ASP A 41 -114.520-125.525 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -112.721-123.781 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -114.207-124.543 4.351 1.00 0.00 H new ATOM 125 N VAL A 42 -115.963-123.282 2.420 1.00 0.00 N ATOM 126 CA VAL A 42 -116.881-122.178 2.097 1.00 0.00 C ATOM 127 C VAL A 42 -116.835-121.107 3.179 1.00 0.00 C ATOM 128 O VAL A 42 -117.112-121.303 4.358 1.00 0.00 O ATOM 129 CB VAL A 42 -118.296-122.705 1.791 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.777-123.717 2.852 1.00 0.00 C ATOM 131 CG2 VAL A 42 -119.324-121.566 1.562 1.00 0.00 C ATOM 0 H VAL A 42 -116.368-123.976 3.048 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.549-121.690 1.180 1.00 0.00 H new ATOM 0 HB VAL A 42 -118.224-123.243 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.779-124.063 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -118.096-124.567 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -118.797-123.237 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -120.303-121.996 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -119.386-120.946 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -119.007-120.954 0.718 1.00 0.00 H new ATOM 141 N ILE A 43 -116.384-119.899 2.763 1.00 0.00 N ATOM 142 CA ILE A 43 -116.055-118.720 3.555 1.00 0.00 C ATOM 143 C ILE A 43 -117.172-117.659 3.451 1.00 0.00 C ATOM 144 O ILE A 43 -117.961-117.661 2.501 1.00 0.00 O ATOM 145 CB ILE A 43 -114.673-118.243 3.039 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.584-119.362 3.093 1.00 0.00 C ATOM 147 CG2 ILE A 43 -114.140-116.987 3.743 1.00 0.00 C ATOM 148 CD1 ILE A 43 -113.215-119.891 4.485 1.00 0.00 C ATOM 0 H ILE A 43 -116.232-119.724 1.770 1.00 0.00 H new ATOM 0 HA ILE A 43 -115.990-118.931 4.622 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.866-117.984 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.927-120.202 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -112.678-118.980 2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.170-116.719 3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -114.839-116.163 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -114.033-117.186 4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.450-120.662 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.832-119.073 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -114.100-120.314 4.960 1.00 0.00 H new ATOM 160 N THR A 44 -117.277-116.714 4.441 1.00 0.00 N ATOM 161 CA THR A 44 -118.276-115.633 4.478 1.00 0.00 C ATOM 162 C THR A 44 -117.551-114.304 4.511 1.00 0.00 C ATOM 163 O THR A 44 -116.849-113.974 5.475 1.00 0.00 O ATOM 164 CB THR A 44 -119.265-115.706 5.642 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.908-116.973 5.657 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.381-114.645 5.492 1.00 0.00 C ATOM 0 H THR A 44 -116.648-116.697 5.244 1.00 0.00 H new ATOM 0 HA THR A 44 -118.882-115.747 3.579 1.00 0.00 H new ATOM 0 HB THR A 44 -118.696-115.535 6.556 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.538-117.011 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.070-114.720 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 44 -119.937-113.650 5.474 1.00 0.00 H new ATOM 0 HG23 THR A 44 -120.924-114.817 4.562 1.00 0.00 H new ATOM 174 N PHE A 45 -117.718-113.501 3.429 1.00 0.00 N ATOM 175 CA PHE A 45 -117.071-112.206 3.226 1.00 0.00 C ATOM 176 C PHE A 45 -118.057-111.063 3.504 1.00 0.00 C ATOM 177 O PHE A 45 -119.194-111.098 3.014 1.00 0.00 O ATOM 178 CB PHE A 45 -116.543-112.104 1.774 1.00 0.00 C ATOM 179 CG PHE A 45 -115.663-113.285 1.420 1.00 0.00 C ATOM 180 CD1 PHE A 45 -116.232-114.487 1.022 1.00 0.00 C ATOM 181 CD2 PHE A 45 -114.287-113.178 1.337 1.00 0.00 C ATOM 182 CE1 PHE A 45 -115.460-115.554 0.635 1.00 0.00 C ATOM 183 CE2 PHE A 45 -113.517-114.235 0.922 1.00 0.00 C ATOM 184 CZ PHE A 45 -114.096-115.431 0.592 1.00 0.00 C ATOM 0 H PHE A 45 -118.330-113.758 2.655 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.235-112.121 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.384-112.055 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -115.978-111.179 1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -117.308-114.585 1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -113.810-112.246 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -115.927-116.489 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -112.445-114.123 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 45 -113.483-116.271 0.300 1.00 0.00 H new ATOM 194 N GLN A 46 -117.640-110.030 4.297 1.00 0.00 N ATOM 195 CA GLN A 46 -118.477-108.949 4.785 1.00 0.00 C ATOM 196 C GLN A 46 -117.909-107.543 4.552 1.00 0.00 C ATOM 197 O GLN A 46 -116.693-107.333 4.582 1.00 0.00 O ATOM 198 CB GLN A 46 -118.627-109.221 6.297 1.00 0.00 C ATOM 199 CG GLN A 46 -119.761-108.465 6.983 1.00 0.00 C ATOM 200 CD GLN A 46 -119.752-108.783 8.465 1.00 0.00 C ATOM 201 OE1 GLN A 46 -118.836-109.441 8.963 1.00 0.00 O ATOM 202 NE2 GLN A 46 -120.799-108.322 9.184 1.00 0.00 N ATOM 0 H GLN A 46 -116.673-109.948 4.611 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.420-108.944 4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -118.783-110.290 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -117.690-108.965 6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -119.643-107.392 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -120.718-108.747 6.545 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -121.533-107.781 8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -120.855-108.515 10.184 1.00 0.00 H new ATOM 211 N SER A 47 -118.819-106.540 4.353 1.00 0.00 N ATOM 212 CA SER A 47 -118.552-105.138 4.037 1.00 0.00 C ATOM 213 C SER A 47 -119.168-104.124 5.017 1.00 0.00 C ATOM 214 O SER A 47 -120.160-104.385 5.698 1.00 0.00 O ATOM 215 CB SER A 47 -119.099-104.871 2.600 1.00 0.00 C ATOM 216 OG SER A 47 -120.417-105.400 2.418 1.00 0.00 O ATOM 0 H SER A 47 -119.820-106.724 4.418 1.00 0.00 H new ATOM 0 HA SER A 47 -117.475-104.989 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 47 -119.110-103.798 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 47 -118.426-105.317 1.868 1.00 0.00 H new ATOM 0 HG SER A 47 -120.723-105.210 1.506 1.00 0.00 H new ATOM 222 N TYR A 48 -118.574-102.899 5.090 1.00 0.00 N ATOM 223 CA TYR A 48 -118.970-101.782 5.947 1.00 0.00 C ATOM 224 C TYR A 48 -119.380-100.584 5.076 1.00 0.00 C ATOM 225 O TYR A 48 -118.639-100.178 4.181 1.00 0.00 O ATOM 226 CB TYR A 48 -117.713-101.423 6.805 1.00 0.00 C ATOM 227 CG TYR A 48 -117.921-100.474 7.960 1.00 0.00 C ATOM 228 CD1 TYR A 48 -118.935-100.662 8.881 1.00 0.00 C ATOM 229 CD2 TYR A 48 -117.010 -99.455 8.179 1.00 0.00 C ATOM 230 CE1 TYR A 48 -119.010 -99.879 10.014 1.00 0.00 C ATOM 231 CE2 TYR A 48 -117.083 -98.666 9.310 1.00 0.00 C ATOM 232 CZ TYR A 48 -118.074 -98.893 10.240 1.00 0.00 C ATOM 233 OH TYR A 48 -118.132 -98.141 11.430 1.00 0.00 O ATOM 0 H TYR A 48 -117.764-102.669 4.515 1.00 0.00 H new ATOM 0 HA TYR A 48 -119.818-102.040 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.296-102.350 7.199 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -116.963-100.991 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -119.676-101.430 8.712 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.230 -99.274 7.454 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -119.805-100.039 10.727 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -116.366 -97.874 9.465 1.00 0.00 H new ATOM 0 HH TYR A 48 -117.402 -97.487 11.439 1.00 0.00 H new ATOM 431 N TRP A 62 -123.115-102.745 9.217 1.00 0.00 N ATOM 432 CA TRP A 62 -122.380-103.914 8.816 1.00 0.00 C ATOM 433 C TRP A 62 -123.403-104.846 8.148 1.00 0.00 C ATOM 434 O TRP A 62 -124.456-105.152 8.710 1.00 0.00 O ATOM 435 CB TRP A 62 -121.735-104.540 10.091 1.00 0.00 C ATOM 436 CG TRP A 62 -120.388-103.926 10.470 1.00 0.00 C ATOM 437 CD1 TRP A 62 -119.961-103.145 11.515 1.00 0.00 C ATOM 438 CD2 TRP A 62 -119.219-104.232 9.707 1.00 0.00 C ATOM 439 NE1 TRP A 62 -118.602-102.941 11.427 1.00 0.00 N ATOM 440 CE2 TRP A 62 -118.144-103.619 10.332 1.00 0.00 C ATOM 441 CE3 TRP A 62 -119.061-104.984 8.588 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -116.886-103.764 9.858 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -117.777-105.146 8.104 1.00 0.00 C ATOM 444 CH2 TRP A 62 -116.700-104.540 8.731 1.00 0.00 C ATOM 0 HA TRP A 62 -121.571-103.708 8.115 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -122.424-104.425 10.928 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -121.603-105.610 9.931 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -120.598-102.749 12.292 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -118.037-102.382 12.066 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -119.907-105.439 8.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -116.050-103.286 10.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -117.611-105.753 7.226 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -115.705-104.676 8.334 1.00 0.00 H new ATOM 455 N VAL A 63 -123.106-105.306 6.903 1.00 0.00 N ATOM 456 CA VAL A 63 -123.940-106.194 6.097 1.00 0.00 C ATOM 457 C VAL A 63 -122.981-107.173 5.445 1.00 0.00 C ATOM 458 O VAL A 63 -121.789-106.884 5.351 1.00 0.00 O ATOM 459 CB VAL A 63 -124.766-105.467 5.017 1.00 0.00 C ATOM 460 CG1 VAL A 63 -125.963-104.755 5.677 1.00 0.00 C ATOM 461 CG2 VAL A 63 -123.912-104.449 4.226 1.00 0.00 C ATOM 0 H VAL A 63 -122.241-105.049 6.428 1.00 0.00 H new ATOM 0 HA VAL A 63 -124.679-106.675 6.738 1.00 0.00 H new ATOM 0 HB VAL A 63 -125.124-106.213 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -126.547-104.241 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -126.591-105.490 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -125.599-104.030 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -124.532-103.959 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -123.511-103.701 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -123.090-104.968 3.734 1.00 0.00 H new ATOM 471 N ASP A 64 -123.462-108.353 4.958 1.00 0.00 N ATOM 472 CA ASP A 64 -122.669-109.382 4.262 1.00 0.00 C ATOM 473 C ASP A 64 -122.512-109.054 2.780 1.00 0.00 C ATOM 474 O ASP A 64 -123.397-108.440 2.197 1.00 0.00 O ATOM 475 CB ASP A 64 -123.270-110.807 4.416 1.00 0.00 C ATOM 476 CG ASP A 64 -123.254-111.204 5.895 1.00 0.00 C ATOM 477 OD1 ASP A 64 -122.134-111.328 6.461 1.00 0.00 O ATOM 478 OD2 ASP A 64 -124.357-111.391 6.474 1.00 0.00 O ATOM 0 H ASP A 64 -124.445-108.612 5.047 1.00 0.00 H new ATOM 0 HA ASP A 64 -121.689-109.378 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.290-110.828 4.033 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -122.694-111.523 3.829 1.00 0.00 H new ATOM 483 N GLU A 65 -121.360-109.413 2.150 1.00 0.00 N ATOM 484 CA GLU A 65 -121.019-109.097 0.764 1.00 0.00 C ATOM 485 C GLU A 65 -121.332-110.258 -0.169 1.00 0.00 C ATOM 486 O GLU A 65 -122.111-110.129 -1.111 1.00 0.00 O ATOM 487 CB GLU A 65 -119.514-108.684 0.648 1.00 0.00 C ATOM 488 CG GLU A 65 -119.092-107.964 -0.658 1.00 0.00 C ATOM 489 CD GLU A 65 -119.565-106.510 -0.725 1.00 0.00 C ATOM 490 OE1 GLU A 65 -120.800-106.278 -0.797 1.00 0.00 O ATOM 491 OE2 GLU A 65 -118.684-105.608 -0.726 1.00 0.00 O ATOM 0 H GLU A 65 -120.630-109.947 2.621 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.636-108.253 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.273-108.034 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -118.905-109.582 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -118.006-107.990 -0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.493-108.510 -1.512 1.00 0.00 H new ATOM 498 N PHE A 66 -120.699-111.427 0.099 1.00 0.00 N ATOM 499 CA PHE A 66 -120.828-112.637 -0.691 1.00 0.00 C ATOM 500 C PHE A 66 -120.324-113.761 0.199 1.00 0.00 C ATOM 501 O PHE A 66 -119.759-113.532 1.272 1.00 0.00 O ATOM 502 CB PHE A 66 -120.086-112.590 -2.094 1.00 0.00 C ATOM 503 CG PHE A 66 -118.571-112.477 -2.024 1.00 0.00 C ATOM 504 CD1 PHE A 66 -117.977-111.306 -1.610 1.00 0.00 C ATOM 505 CD2 PHE A 66 -117.755-113.565 -2.277 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.632-111.239 -1.331 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.397-113.502 -2.025 1.00 0.00 C ATOM 508 CZ PHE A 66 -115.831-112.343 -1.517 1.00 0.00 C ATOM 0 H PHE A 66 -120.072-111.538 0.896 1.00 0.00 H new ATOM 0 HA PHE A 66 -121.869-112.782 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.341-113.491 -2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.471-111.743 -2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.582-110.418 -1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.183-114.473 -2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.203-110.318 -0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -115.773-114.361 -2.225 1.00 0.00 H new ATOM 0 HZ PHE A 66 -114.780-112.307 -1.271 1.00 0.00 H new ATOM 518 N THR A 67 -120.461-115.023 -0.255 1.00 0.00 N ATOM 519 CA THR A 67 -119.937-116.206 0.416 1.00 0.00 C ATOM 520 C THR A 67 -119.352-117.026 -0.715 1.00 0.00 C ATOM 521 O THR A 67 -119.973-117.188 -1.763 1.00 0.00 O ATOM 522 CB THR A 67 -120.969-116.966 1.280 1.00 0.00 C ATOM 523 OG1 THR A 67 -120.467-118.178 1.851 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.262-117.288 0.514 1.00 0.00 C ATOM 0 H THR A 67 -120.953-115.242 -1.121 1.00 0.00 H new ATOM 0 HA THR A 67 -119.192-115.949 1.169 1.00 0.00 H new ATOM 0 HB THR A 67 -121.187-116.271 2.090 1.00 0.00 H new ATOM 0 HG1 THR A 67 -119.491-118.126 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 67 -122.950-117.822 1.170 1.00 0.00 H new ATOM 0 HG22 THR A 67 -122.726-116.361 0.178 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.028-117.910 -0.350 1.00 0.00 H new ATOM 532 N ALA A 68 -118.123-117.548 -0.550 1.00 0.00 N ATOM 533 CA ALA A 68 -117.495-118.330 -1.626 1.00 0.00 C ATOM 534 C ALA A 68 -116.525-119.369 -1.107 1.00 0.00 C ATOM 535 O ALA A 68 -115.988-119.243 -0.007 1.00 0.00 O ATOM 536 CB ALA A 68 -116.765-117.417 -2.644 1.00 0.00 C ATOM 0 H ALA A 68 -117.559-117.446 0.294 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.314-118.849 -2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.313-118.030 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.480-116.728 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -115.987-116.850 -2.132 1.00 0.00 H new ATOM 542 N ALA A 69 -116.224-120.441 -1.903 1.00 0.00 N ATOM 543 CA ALA A 69 -115.263-121.478 -1.533 1.00 0.00 C ATOM 544 C ALA A 69 -113.849-120.995 -1.859 1.00 0.00 C ATOM 545 O ALA A 69 -113.515-120.721 -3.002 1.00 0.00 O ATOM 546 CB ALA A 69 -115.595-122.828 -2.201 1.00 0.00 C ATOM 0 H ALA A 69 -116.653-120.591 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.325-121.657 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.858-123.573 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.588-123.154 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.574-122.713 -3.285 1.00 0.00 H new ATOM 552 N ALA A 70 -113.010-120.791 -0.824 1.00 0.00 N ATOM 553 CA ALA A 70 -111.791-120.028 -0.981 1.00 0.00 C ATOM 554 C ALA A 70 -110.929-120.217 0.227 1.00 0.00 C ATOM 555 O ALA A 70 -111.372-120.748 1.242 1.00 0.00 O ATOM 556 CB ALA A 70 -112.126-118.523 -1.039 1.00 0.00 C ATOM 0 H ALA A 70 -113.167-121.149 0.118 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.290-120.361 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.206-117.950 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -112.786-118.329 -1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.623-118.225 -0.116 1.00 0.00 H new ATOM 562 N HIS A 71 -109.669-119.732 0.146 1.00 0.00 N ATOM 563 CA HIS A 71 -108.717-119.701 1.232 1.00 0.00 C ATOM 564 C HIS A 71 -108.301-118.240 1.405 1.00 0.00 C ATOM 565 O HIS A 71 -107.603-117.689 0.551 1.00 0.00 O ATOM 566 CB HIS A 71 -107.493-120.586 0.904 1.00 0.00 C ATOM 567 CG HIS A 71 -106.626-120.842 2.095 1.00 0.00 C ATOM 568 ND1 HIS A 71 -105.256-120.750 2.125 1.00 0.00 N ATOM 569 CD2 HIS A 71 -107.002-121.206 3.345 1.00 0.00 C ATOM 570 CE1 HIS A 71 -104.872-121.053 3.392 1.00 0.00 C ATOM 571 NE2 HIS A 71 -105.908-121.331 4.167 1.00 0.00 N ATOM 0 H HIS A 71 -109.293-119.342 -0.718 1.00 0.00 H new ATOM 0 HA HIS A 71 -109.154-120.091 2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -107.837-121.538 0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -106.901-120.105 0.126 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -104.645-120.502 1.347 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -108.023-121.375 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -103.845-121.066 3.727 1.00 0.00 H new ATOM 579 N VAL A 72 -108.736-117.559 2.512 1.00 0.00 N ATOM 580 CA VAL A 72 -108.466-116.142 2.778 1.00 0.00 C ATOM 581 C VAL A 72 -107.506-116.236 3.968 1.00 0.00 C ATOM 582 O VAL A 72 -107.947-116.332 5.105 1.00 0.00 O ATOM 583 CB VAL A 72 -109.860-115.524 3.124 1.00 0.00 C ATOM 584 CG1 VAL A 72 -110.026-113.981 3.207 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.910-116.000 2.105 1.00 0.00 C ATOM 0 H VAL A 72 -109.291-118.003 3.244 1.00 0.00 H new ATOM 0 HA VAL A 72 -108.032-115.530 1.987 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.986-115.879 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -111.059-113.739 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -109.364-113.585 3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -109.772-113.535 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.879-115.566 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -110.615-115.684 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.981-117.087 2.136 1.00 0.00 H new ATOM 595 N GLN A 73 -106.162-116.191 3.785 1.00 0.00 N ATOM 596 CA GLN A 73 -105.208-116.627 4.814 1.00 0.00 C ATOM 597 C GLN A 73 -104.338-115.540 5.442 1.00 0.00 C ATOM 598 O GLN A 73 -103.856-114.680 4.706 1.00 0.00 O ATOM 599 CB GLN A 73 -104.232-117.639 4.123 1.00 0.00 C ATOM 600 CG GLN A 73 -103.346-118.501 5.060 1.00 0.00 C ATOM 601 CD GLN A 73 -102.038-118.922 4.379 1.00 0.00 C ATOM 602 OE1 GLN A 73 -101.998-119.824 3.534 1.00 0.00 O ATOM 603 NE2 GLN A 73 -100.938-118.239 4.788 1.00 0.00 N ATOM 0 H GLN A 73 -105.722-115.855 2.928 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.813-117.030 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -104.823-118.311 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -103.577-117.079 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -103.119-117.938 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -103.898-119.389 5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -101.026-117.503 5.489 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -100.024-118.462 4.394 1.00 0.00 H new ATOM 612 N PRO A 74 -104.048-115.500 6.767 1.00 0.00 N ATOM 613 CA PRO A 74 -103.046-114.604 7.337 1.00 0.00 C ATOM 614 C PRO A 74 -101.594-114.998 6.989 1.00 0.00 C ATOM 615 O PRO A 74 -101.268-116.186 6.886 1.00 0.00 O ATOM 616 CB PRO A 74 -103.290-114.717 8.858 1.00 0.00 C ATOM 617 CG PRO A 74 -103.816-116.138 9.063 1.00 0.00 C ATOM 618 CD PRO A 74 -104.631-116.378 7.788 1.00 0.00 C ATOM 0 HA PRO A 74 -103.149-113.594 6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -102.371-114.550 9.420 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -104.011-113.975 9.199 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -103.006-116.859 9.168 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -104.432-116.217 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -104.578-117.423 7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -105.684-116.146 7.948 1.00 0.00 H new ATOM 626 N ILE A 75 -100.745-113.950 6.851 1.00 0.00 N ATOM 627 CA ILE A 75 -99.288-113.929 6.702 1.00 0.00 C ATOM 628 C ILE A 75 -98.727-114.342 5.348 1.00 0.00 C ATOM 629 O ILE A 75 -98.936-115.441 4.834 1.00 0.00 O ATOM 630 CB ILE A 75 -98.527-114.549 7.891 1.00 0.00 C ATOM 631 CG1 ILE A 75 -98.924-113.797 9.189 1.00 0.00 C ATOM 632 CG2 ILE A 75 -96.988-114.488 7.703 1.00 0.00 C ATOM 633 CD1 ILE A 75 -98.309-114.381 10.464 1.00 0.00 C ATOM 0 H ILE A 75 -101.116-113.000 6.842 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.082-112.859 6.727 1.00 0.00 H new ATOM 0 HB ILE A 75 -98.803-115.602 7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -98.622-112.754 9.098 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -100.010-113.808 9.284 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -96.498-114.937 8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -96.709-115.035 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -96.674-113.449 7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -98.636-113.799 11.325 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -98.631-115.416 10.582 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -97.222-114.345 10.393 1.00 0.00 H new ATOM 894 N GLY A 91 -99.608-109.195 6.716 1.00 0.00 N ATOM 895 CA GLY A 91 -100.860-108.955 6.000 1.00 0.00 C ATOM 896 C GLY A 91 -101.729-110.177 5.845 1.00 0.00 C ATOM 897 O GLY A 91 -101.459-111.219 6.445 1.00 0.00 O ATOM 0 HA2 GLY A 91 -101.425-108.186 6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.629-108.559 5.011 1.00 0.00 H new ATOM 901 N TYR A 92 -102.779-110.062 4.979 1.00 0.00 N ATOM 902 CA TYR A 92 -103.696-111.129 4.574 1.00 0.00 C ATOM 903 C TYR A 92 -103.424-111.426 3.097 1.00 0.00 C ATOM 904 O TYR A 92 -103.353-110.514 2.278 1.00 0.00 O ATOM 905 CB TYR A 92 -105.212-110.757 4.757 1.00 0.00 C ATOM 906 CG TYR A 92 -105.950-111.778 5.569 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.594-112.083 6.876 1.00 0.00 C ATOM 908 CD2 TYR A 92 -107.061-112.386 5.030 1.00 0.00 C ATOM 909 CE1 TYR A 92 -106.285-113.052 7.584 1.00 0.00 C ATOM 910 CE2 TYR A 92 -107.724-113.356 5.736 1.00 0.00 C ATOM 911 CZ TYR A 92 -107.317-113.734 6.984 1.00 0.00 C ATOM 912 OH TYR A 92 -107.957-114.840 7.575 1.00 0.00 O ATOM 0 H TYR A 92 -103.005-109.173 4.533 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.516-111.993 5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.290-109.784 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.683-110.664 3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -104.772-111.561 7.344 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -107.411-112.098 4.050 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -106.014-113.272 8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -108.588-113.832 5.296 1.00 0.00 H new ATOM 0 HH TYR A 92 -108.012-115.572 6.925 1.00 0.00 H new ATOM 922 N ASN A 93 -103.282-112.719 2.720 1.00 0.00 N ATOM 923 CA ASN A 93 -103.055-113.186 1.344 1.00 0.00 C ATOM 924 C ASN A 93 -104.039-114.283 1.019 1.00 0.00 C ATOM 925 O ASN A 93 -104.159-115.280 1.728 1.00 0.00 O ATOM 926 CB ASN A 93 -101.616-113.660 1.014 1.00 0.00 C ATOM 927 CG ASN A 93 -100.806-113.945 2.266 1.00 0.00 C ATOM 928 OD1 ASN A 93 -100.018-113.061 2.604 1.00 0.00 O ATOM 929 ND2 ASN A 93 -100.964-115.123 2.925 1.00 0.00 N ATOM 0 H ASN A 93 -103.325-113.485 3.392 1.00 0.00 H new ATOM 0 HA ASN A 93 -103.205-112.305 0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -101.663-114.560 0.401 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.111-112.897 0.422 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -100.409-115.320 3.758 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -101.637-115.810 2.587 1.00 0.00 H new ATOM 936 N ILE A 94 -104.805-114.092 -0.081 1.00 0.00 N ATOM 937 CA ILE A 94 -105.932-114.923 -0.472 1.00 0.00 C ATOM 938 C ILE A 94 -105.759-115.554 -1.839 1.00 0.00 C ATOM 939 O ILE A 94 -105.298-114.908 -2.783 1.00 0.00 O ATOM 940 CB ILE A 94 -107.202-114.045 -0.486 1.00 0.00 C ATOM 941 CG1 ILE A 94 -107.351-113.320 0.872 1.00 0.00 C ATOM 942 CG2 ILE A 94 -108.486-114.846 -0.820 1.00 0.00 C ATOM 943 CD1 ILE A 94 -106.845-111.882 0.885 1.00 0.00 C ATOM 0 H ILE A 94 -104.637-113.325 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.007-115.736 0.250 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.080-113.312 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.403-113.323 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -106.813-113.887 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -109.345-114.175 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -108.386-115.300 -1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -108.632-115.628 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -106.990-111.454 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -105.784-111.867 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -107.399-111.295 0.152 1.00 0.00 H new ATOM 955 N TYR A 95 -106.248-116.822 -1.977 1.00 0.00 N ATOM 956 CA TYR A 95 -106.445-117.510 -3.252 1.00 0.00 C ATOM 957 C TYR A 95 -107.957-117.850 -3.229 1.00 0.00 C ATOM 958 O TYR A 95 -108.433-118.589 -2.362 1.00 0.00 O ATOM 959 CB TYR A 95 -105.382-118.653 -3.516 1.00 0.00 C ATOM 960 CG TYR A 95 -105.937-120.055 -3.556 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.689-120.476 -4.640 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.929-120.813 -2.407 1.00 0.00 C ATOM 963 CE1 TYR A 95 -107.535-121.557 -4.509 1.00 0.00 C ATOM 964 CE2 TYR A 95 -106.768-121.898 -2.280 1.00 0.00 C ATOM 965 CZ TYR A 95 -107.588-122.262 -3.325 1.00 0.00 C ATOM 966 OH TYR A 95 -108.531-123.298 -3.174 1.00 0.00 O ATOM 0 H TYR A 95 -106.517-117.391 -1.175 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.235-116.925 -4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -104.883-118.450 -4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.620-118.604 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -106.613-119.959 -5.585 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -105.260-120.555 -1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -108.160-121.853 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -106.783-122.464 -1.360 1.00 0.00 H new ATOM 0 HH TYR A 95 -108.439-123.697 -2.284 1.00 0.00 H new ATOM 976 N THR A 96 -108.762-117.235 -4.145 1.00 0.00 N ATOM 977 CA THR A 96 -110.218-117.416 -4.207 1.00 0.00 C ATOM 978 C THR A 96 -110.678-117.493 -5.664 1.00 0.00 C ATOM 979 O THR A 96 -109.959-117.000 -6.538 1.00 0.00 O ATOM 980 CB THR A 96 -110.942-116.292 -3.413 1.00 0.00 C ATOM 981 OG1 THR A 96 -112.363-116.366 -3.377 1.00 0.00 O ATOM 982 CG2 THR A 96 -110.625-114.871 -3.874 1.00 0.00 C ATOM 0 H THR A 96 -108.403-116.600 -4.858 1.00 0.00 H new ATOM 0 HA THR A 96 -110.485-118.360 -3.733 1.00 0.00 H new ATOM 0 HB THR A 96 -110.533-116.488 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 96 -112.723-116.179 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 96 -111.176-114.158 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 96 -109.556-114.686 -3.773 1.00 0.00 H new ATOM 0 HG23 THR A 96 -110.916-114.754 -4.918 1.00 0.00 H new ATOM 990 N PRO A 97 -111.860-118.058 -6.039 1.00 0.00 N ATOM 991 CA PRO A 97 -112.499-117.843 -7.348 1.00 0.00 C ATOM 992 C PRO A 97 -113.006-116.380 -7.510 1.00 0.00 C ATOM 993 O PRO A 97 -113.368-115.760 -6.504 1.00 0.00 O ATOM 994 CB PRO A 97 -113.663-118.860 -7.335 1.00 0.00 C ATOM 995 CG PRO A 97 -114.049-118.971 -5.858 1.00 0.00 C ATOM 996 CD PRO A 97 -112.683-118.907 -5.181 1.00 0.00 C ATOM 0 HA PRO A 97 -111.818-117.987 -8.187 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -114.501-118.514 -7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -113.354-119.824 -7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.702-118.157 -5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -114.572-119.902 -5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -112.762-118.490 -4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.248-119.901 -5.080 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.983-115.878 -8.779 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.293-114.593 -9.441 1.00 0.00 C ATOM 1006 C TYR A 98 -113.974-113.382 -8.741 1.00 0.00 C ATOM 1007 O TYR A 98 -114.610-112.533 -9.366 1.00 0.00 O ATOM 1008 CB TYR A 98 -113.958-114.911 -10.823 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.646-113.905 -11.908 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -112.343-113.688 -12.320 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -114.658-113.169 -12.497 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -112.057-112.740 -13.283 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -114.374-112.210 -13.447 1.00 0.00 C ATOM 1014 CZ TYR A 98 -113.072-111.995 -13.845 1.00 0.00 C ATOM 1015 OH TYR A 98 -112.787-111.016 -14.823 1.00 0.00 O ATOM 0 H TYR A 98 -112.676-116.522 -9.508 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.299-114.146 -9.464 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -113.631-115.897 -11.153 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -115.039-114.962 -10.690 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.541-114.266 -11.884 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -115.684-113.347 -12.210 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -111.036-112.582 -13.597 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -115.173-111.627 -13.880 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.621-110.588 -15.110 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.800-113.241 -7.414 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.278-112.129 -6.596 1.00 0.00 C ATOM 1027 C ASP A 99 -113.117-111.190 -6.272 1.00 0.00 C ATOM 1028 O ASP A 99 -112.019-111.635 -5.953 1.00 0.00 O ATOM 1029 CB ASP A 99 -114.915-112.624 -5.266 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.129-113.507 -5.567 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -117.115-112.979 -6.147 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.086-114.718 -5.217 1.00 0.00 O ATOM 0 H ASP A 99 -113.297-113.937 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.043-111.604 -7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.181-113.185 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.216-111.771 -4.657 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.324-109.853 -6.334 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.312-108.830 -6.073 1.00 0.00 C ATOM 1039 C ASP A 100 -112.644-108.005 -4.832 1.00 0.00 C ATOM 1040 O ASP A 100 -112.236-106.855 -4.707 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.108-107.934 -7.341 1.00 0.00 C ATOM 1042 CG ASP A 100 -113.420-107.415 -7.958 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -114.047-106.503 -7.356 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -113.800-107.926 -9.046 1.00 0.00 O ATOM 0 H ASP A 100 -114.232-109.456 -6.575 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.367-109.331 -5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -111.482-107.082 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.565-108.506 -8.094 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.430-108.571 -3.883 1.00 0.00 N ATOM 1050 CA ARG A 101 -113.940-107.862 -2.710 1.00 0.00 C ATOM 1051 C ARG A 101 -113.232-108.120 -1.390 1.00 0.00 C ATOM 1052 O ARG A 101 -113.057-107.168 -0.639 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.464-108.100 -2.550 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.356-107.541 -3.678 1.00 0.00 C ATOM 1055 CD ARG A 101 -116.517-106.007 -3.694 1.00 0.00 C ATOM 1056 NE ARG A 101 -115.307-105.369 -4.331 1.00 0.00 N ATOM 1057 CZ ARG A 101 -114.805-104.143 -3.982 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -115.409-103.377 -3.029 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -113.673-103.686 -4.595 1.00 0.00 N ATOM 0 H ARG A 101 -113.725-109.547 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 101 -113.722-106.817 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.638-109.173 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -115.784-107.657 -1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -115.942-107.856 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -117.345-107.992 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -117.416-105.733 -4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -116.642-105.635 -2.677 1.00 0.00 H new ATOM 0 HE ARG A 101 -114.831-105.885 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -116.251-103.714 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -115.019-102.467 -2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -113.211-104.256 -5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -113.289-102.775 -4.344 1.00 0.00 H new ATOM 1073 N ILE A 102 -112.813-109.388 -1.063 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.143-109.993 0.067 1.00 0.00 C ATOM 1075 C ILE A 102 -111.486-109.099 1.105 1.00 0.00 C ATOM 1076 O ILE A 102 -111.956-108.995 2.235 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.179-111.033 -0.501 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -111.846-112.100 -1.413 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -110.551-111.786 0.670 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -112.340-111.674 -2.799 1.00 0.00 C ATOM 0 H ILE A 102 -112.992-110.122 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 102 -112.932-110.421 0.685 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.462-110.482 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -111.131-112.911 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -112.696-112.514 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -109.857-112.536 0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -110.013-111.084 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -111.334-112.276 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -112.779-112.532 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -113.091-110.892 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -111.502-111.295 -3.383 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.394-108.413 0.698 1.00 0.00 N ATOM 1093 CA ASP A 103 -109.729-107.386 1.479 1.00 0.00 C ATOM 1094 C ASP A 103 -109.737-106.174 0.566 1.00 0.00 C ATOM 1095 O ASP A 103 -108.994-106.143 -0.414 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.226-107.739 1.734 1.00 0.00 C ATOM 1097 CG ASP A 103 -108.015-108.742 2.869 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -108.656-109.824 2.870 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -107.166-108.430 3.747 1.00 0.00 O ATOM 0 H ASP A 103 -109.952-108.574 -0.207 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.220-107.253 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -107.797-108.145 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -107.681-106.824 1.964 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.524-105.132 0.916 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.643-103.898 0.148 1.00 0.00 C ATOM 1106 C LYS A 104 -111.511-102.970 0.991 1.00 0.00 C ATOM 1107 O LYS A 104 -112.409-102.299 0.496 1.00 0.00 O ATOM 1108 CB LYS A 104 -111.241-104.121 -1.287 1.00 0.00 C ATOM 1109 CG LYS A 104 -110.406-103.458 -2.397 1.00 0.00 C ATOM 1110 CD LYS A 104 -110.382-101.924 -2.312 1.00 0.00 C ATOM 1111 CE LYS A 104 -109.687-101.254 -3.506 1.00 0.00 C ATOM 1112 NZ LYS A 104 -108.252-101.616 -3.563 1.00 0.00 N ATOM 0 H LYS A 104 -111.100-105.137 1.758 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.659-103.468 -0.040 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -111.311-105.191 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -112.256-103.724 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -109.384-103.833 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -110.805-103.754 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -111.406-101.556 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -109.875-101.627 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -110.178-101.555 -4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -109.789-100.172 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -107.680-100.753 -3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -107.984-102.110 -2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -108.083-102.239 -4.378 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.282-102.984 2.341 1.00 0.00 N ATOM 1127 CA LYS A 105 -112.053-102.352 3.426 1.00 0.00 C ATOM 1128 C LYS A 105 -113.190-103.301 3.794 1.00 0.00 C ATOM 1129 O LYS A 105 -114.345-103.128 3.406 1.00 0.00 O ATOM 1130 CB LYS A 105 -112.527-100.886 3.189 1.00 0.00 C ATOM 1131 CG LYS A 105 -113.229-100.233 4.395 1.00 0.00 C ATOM 1132 CD LYS A 105 -113.515 -98.739 4.176 1.00 0.00 C ATOM 1133 CE LYS A 105 -114.334 -98.125 5.321 1.00 0.00 C ATOM 1134 NZ LYS A 105 -114.615 -96.692 5.072 1.00 0.00 N ATOM 0 H LYS A 105 -110.478-103.487 2.716 1.00 0.00 H new ATOM 0 HA LYS A 105 -111.372-102.209 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -111.664-100.279 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -113.208-100.872 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -114.167-100.754 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -112.607-100.354 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -112.572 -98.202 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -114.054 -98.609 3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -115.273 -98.668 5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -113.790 -98.234 6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -115.169 -96.305 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -113.718 -96.172 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -115.155 -96.592 4.189 1.00 0.00 H new ATOM 1148 N MET A 106 -112.836-104.408 4.495 1.00 0.00 N ATOM 1149 CA MET A 106 -113.748-105.506 4.726 1.00 0.00 C ATOM 1150 C MET A 106 -113.394-106.202 6.029 1.00 0.00 C ATOM 1151 O MET A 106 -112.403-105.902 6.709 1.00 0.00 O ATOM 1152 CB MET A 106 -113.618-106.581 3.590 1.00 0.00 C ATOM 1153 CG MET A 106 -113.967-106.159 2.145 1.00 0.00 C ATOM 1154 SD MET A 106 -115.668-105.627 1.819 1.00 0.00 S ATOM 1155 CE MET A 106 -115.292-104.728 0.284 1.00 0.00 C ATOM 0 H MET A 106 -111.912-104.543 4.905 1.00 0.00 H new ATOM 0 HA MET A 106 -114.758-105.097 4.754 1.00 0.00 H new ATOM 0 HB2 MET A 106 -112.591-106.946 3.592 1.00 0.00 H new ATOM 0 HB3 MET A 106 -114.256-107.424 3.854 1.00 0.00 H new ATOM 0 HG2 MET A 106 -113.299-105.345 1.861 1.00 0.00 H new ATOM 0 HG3 MET A 106 -113.745-106.998 1.486 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.195-104.238 -0.081 1.00 0.00 H new ATOM 0 HE2 MET A 106 -114.526-103.978 0.480 1.00 0.00 H new ATOM 0 HE3 MET A 106 -114.930-105.428 -0.468 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.217-107.233 6.329 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.106-108.177 7.416 1.00 0.00 C ATOM 1167 C ARG A 107 -114.433-109.525 6.790 1.00 0.00 C ATOM 1168 O ARG A 107 -115.379-109.660 6.013 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.075-107.803 8.570 1.00 0.00 C ATOM 1170 CG ARG A 107 -114.920-108.624 9.860 1.00 0.00 C ATOM 1171 CD ARG A 107 -115.474-107.905 11.101 1.00 0.00 C ATOM 1172 NE ARG A 107 -116.963-107.744 10.958 1.00 0.00 N ATOM 1173 CZ ARG A 107 -117.722-107.033 11.850 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -117.143-106.378 12.898 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -119.076-106.974 11.685 1.00 0.00 N ATOM 0 H ARG A 107 -115.039-107.424 5.756 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.116-108.187 7.871 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -114.934-106.750 8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.098-107.913 8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -115.433-109.578 9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -113.865-108.847 10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -115.243-108.476 12.000 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -115.000-106.930 11.212 1.00 0.00 H new ATOM 0 HE ARG A 107 -117.427-108.183 10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -116.132-106.414 13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -117.722-105.853 13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -119.516-107.457 10.902 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -119.648-106.447 12.345 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.648-110.587 7.080 1.00 0.00 N ATOM 1190 CA VAL A 108 -113.917-111.926 6.564 1.00 0.00 C ATOM 1191 C VAL A 108 -113.909-112.848 7.753 1.00 0.00 C ATOM 1192 O VAL A 108 -113.081-112.751 8.676 1.00 0.00 O ATOM 1193 CB VAL A 108 -112.973-112.434 5.453 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -113.328-113.846 4.928 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.024-111.463 4.256 1.00 0.00 C ATOM 0 H VAL A 108 -112.820-110.530 7.674 1.00 0.00 H new ATOM 0 HA VAL A 108 -114.880-111.896 6.054 1.00 0.00 H new ATOM 0 HB VAL A 108 -111.981-112.487 5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -112.621-114.133 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -113.277-114.562 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -114.337-113.838 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.358-111.819 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -114.043-111.411 3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -112.707-110.471 4.578 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.871-113.821 7.685 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.992-114.950 8.567 1.00 0.00 C ATOM 1207 C ILE A 109 -114.420-116.060 7.692 1.00 0.00 C ATOM 1208 O ILE A 109 -115.064-116.523 6.748 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.452-115.261 8.958 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -117.207-114.027 9.522 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.446-116.399 10.006 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -117.877-113.119 8.481 1.00 0.00 C ATOM 0 H ILE A 109 -115.599-113.807 6.970 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.493-114.802 9.525 1.00 0.00 H new ATOM 0 HB ILE A 109 -116.984-115.560 8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -117.971-114.378 10.215 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -116.504-113.428 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.471-116.633 10.295 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -115.978-117.286 9.578 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.885-116.081 10.885 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -118.374-112.291 8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -117.122-112.728 7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.612-113.693 7.917 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.184-116.479 8.038 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.349-117.484 7.439 1.00 0.00 C ATOM 1226 C TYR A 110 -112.435-118.728 8.313 1.00 0.00 C ATOM 1227 O TYR A 110 -111.682-118.835 9.274 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.934-116.827 7.409 1.00 0.00 C ATOM 1229 CG TYR A 110 -109.762-117.733 7.172 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -109.633-118.458 6.006 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -108.752-117.767 8.109 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -108.451-119.123 5.746 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -107.591-118.456 7.866 1.00 0.00 C ATOM 1234 CZ TYR A 110 -107.424-119.140 6.680 1.00 0.00 C ATOM 1235 OH TYR A 110 -106.173-119.763 6.455 1.00 0.00 O ATOM 0 H TYR A 110 -112.714-116.057 8.839 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.628-117.798 6.433 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.933-116.063 6.632 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.779-116.316 8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -110.450-118.505 5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -108.876-117.245 9.046 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -108.324-119.636 4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -106.805-118.463 8.606 1.00 0.00 H new ATOM 0 HH TYR A 110 -106.215-120.294 5.633 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.382-119.668 8.024 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.627-120.942 8.720 1.00 0.00 C ATOM 1247 C ARG A 111 -113.951-120.847 10.226 1.00 0.00 C ATOM 1248 O ARG A 111 -113.586-121.697 11.036 1.00 0.00 O ATOM 1249 CB ARG A 111 -112.503-121.970 8.397 1.00 0.00 C ATOM 1250 CG ARG A 111 -112.965-123.440 8.383 1.00 0.00 C ATOM 1251 CD ARG A 111 -111.836-124.396 7.971 1.00 0.00 C ATOM 1252 NE ARG A 111 -112.366-125.803 7.938 1.00 0.00 N ATOM 1253 CZ ARG A 111 -111.603-126.873 7.549 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -110.301-126.707 7.176 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -112.157-128.120 7.527 1.00 0.00 N ATOM 0 H ARG A 111 -114.029-119.536 7.247 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.567-121.312 8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -112.075-121.728 7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -111.706-121.860 9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -113.329-123.715 9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -113.802-123.550 7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -111.447-124.118 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -111.007-124.323 8.675 1.00 0.00 H new ATOM 0 HE ARG A 111 -113.333-125.968 8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -109.883-125.777 7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -109.746-127.513 6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -113.132-128.250 7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -111.597-128.922 7.239 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.641-119.739 10.617 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.954-119.363 11.996 1.00 0.00 C ATOM 1271 C GLY A 112 -113.970-118.434 12.676 1.00 0.00 C ATOM 1272 O GLY A 112 -114.153-118.116 13.845 1.00 0.00 O ATOM 0 H GLY A 112 -115.002-119.066 9.941 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.936-118.890 12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -115.032-120.274 12.590 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.914-117.941 11.973 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.946-116.974 12.492 1.00 0.00 C ATOM 1278 C LYS A 113 -112.255-115.630 11.848 1.00 0.00 C ATOM 1279 O LYS A 113 -112.413-115.536 10.633 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.494-117.446 12.217 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.380-116.429 12.526 1.00 0.00 C ATOM 1282 CD LYS A 113 -107.999-117.103 12.588 1.00 0.00 C ATOM 1283 CE LYS A 113 -106.820-116.122 12.555 1.00 0.00 C ATOM 1284 NZ LYS A 113 -106.724-115.446 11.241 1.00 0.00 N ATOM 0 H LYS A 113 -112.721-118.220 11.011 1.00 0.00 H new ATOM 0 HA LYS A 113 -112.027-116.881 13.575 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.309-118.346 12.804 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -110.418-117.729 11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -109.373-115.653 11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -109.589-115.938 13.476 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -107.938-117.697 13.500 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -107.906-117.794 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -106.940-115.378 13.342 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -105.893-116.656 12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -105.961-114.740 11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -106.518-116.149 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -107.625-114.973 11.027 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.387-114.554 12.665 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.803-113.229 12.212 1.00 0.00 C ATOM 1300 C ILE A 114 -111.681-112.200 12.366 1.00 0.00 C ATOM 1301 O ILE A 114 -111.183-111.933 13.460 1.00 0.00 O ATOM 1302 CB ILE A 114 -114.137-112.851 12.873 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -114.793-111.599 12.238 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -114.040-112.774 14.418 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -116.301-111.514 12.518 1.00 0.00 C ATOM 0 H ILE A 114 -112.202-114.597 13.667 1.00 0.00 H new ATOM 0 HA ILE A 114 -112.994-113.244 11.139 1.00 0.00 H new ATOM 0 HB ILE A 114 -114.820-113.674 12.662 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -114.305-110.703 12.623 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -114.628-111.614 11.161 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -115.012-112.503 14.831 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -113.736-113.744 14.812 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -113.304-112.021 14.699 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -116.708-110.618 12.050 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -116.797-112.394 12.109 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -116.469-111.469 13.594 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.245-111.606 11.214 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.182-110.588 11.124 1.00 0.00 C ATOM 1319 C VAL A 115 -110.690-109.401 10.267 1.00 0.00 C ATOM 1320 O VAL A 115 -111.411-109.623 9.292 1.00 0.00 O ATOM 1321 CB VAL A 115 -108.871-111.166 10.539 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -107.707-110.152 10.618 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -108.429-112.460 11.269 1.00 0.00 C ATOM 0 H VAL A 115 -111.643-111.838 10.304 1.00 0.00 H new ATOM 0 HA VAL A 115 -109.949-110.243 12.131 1.00 0.00 H new ATOM 0 HB VAL A 115 -109.092-111.392 9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -106.806-110.598 10.197 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -107.966-109.256 10.054 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -107.527-109.885 11.659 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -107.505-112.830 10.825 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -108.264-112.244 12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.207-113.217 11.171 1.00 0.00 H new ATOM 1333 N THR A 116 -110.306-108.126 10.621 1.00 0.00 N ATOM 1334 CA THR A 116 -110.611-106.845 9.943 1.00 0.00 C ATOM 1335 C THR A 116 -109.318-106.339 9.304 1.00 0.00 C ATOM 1336 O THR A 116 -108.254-106.390 9.923 1.00 0.00 O ATOM 1337 CB THR A 116 -111.168-105.738 10.859 1.00 0.00 C ATOM 1338 OG1 THR A 116 -112.294-106.198 11.588 1.00 0.00 O ATOM 1339 CG2 THR A 116 -111.653-104.501 10.070 1.00 0.00 C ATOM 0 H THR A 116 -109.733-107.973 11.451 1.00 0.00 H new ATOM 0 HA THR A 116 -111.399-107.055 9.220 1.00 0.00 H new ATOM 0 HB THR A 116 -110.340-105.469 11.515 1.00 0.00 H new ATOM 0 HG1 THR A 116 -112.628-105.478 12.163 1.00 0.00 H new ATOM 0 HG21 THR A 116 -112.035-103.753 10.765 1.00 0.00 H new ATOM 0 HG22 THR A 116 -110.821-104.080 9.505 1.00 0.00 H new ATOM 0 HG23 THR A 116 -112.446-104.796 9.382 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.401-105.881 8.024 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.231-105.558 7.207 1.00 0.00 C ATOM 1349 C PHE A 117 -108.542-104.774 5.923 1.00 0.00 C ATOM 1350 O PHE A 117 -109.695-104.623 5.509 1.00 0.00 O ATOM 1351 CB PHE A 117 -107.461-106.876 6.828 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.373-108.069 6.550 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -109.535-108.026 5.772 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -108.040-109.275 7.137 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.287-109.159 5.570 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.815-110.393 6.956 1.00 0.00 C ATOM 1357 CZ PHE A 117 -109.921-110.346 6.149 1.00 0.00 C ATOM 0 H PHE A 117 -110.288-105.731 7.544 1.00 0.00 H new ATOM 0 HA PHE A 117 -107.619-104.903 7.826 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -106.849-106.686 5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -106.780-107.133 7.639 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -109.845-107.093 5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -107.153-109.339 7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.171-109.113 4.952 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -108.551-111.315 7.453 1.00 0.00 H new ATOM 0 HZ PHE A 117 -110.501-111.239 5.970 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.451-104.329 5.232 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.431-103.625 3.948 1.00 0.00 C ATOM 1369 C ILE A 118 -106.533-104.375 2.944 1.00 0.00 C ATOM 1370 O ILE A 118 -105.637-105.128 3.325 1.00 0.00 O ATOM 1371 CB ILE A 118 -107.008-102.158 4.153 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -107.024-101.263 2.883 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -105.643-102.055 4.868 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -108.396-101.180 2.205 1.00 0.00 C ATOM 0 H ILE A 118 -106.509-104.470 5.596 1.00 0.00 H new ATOM 0 HA ILE A 118 -108.434-103.607 3.522 1.00 0.00 H new ATOM 0 HB ILE A 118 -107.793-101.752 4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -106.701-100.258 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -106.298-101.649 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -105.377-101.006 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -105.707-102.534 5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -104.880-102.552 4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -108.329-100.538 1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -108.713-102.178 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -109.122-100.765 2.903 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.759-104.174 1.612 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.933-104.756 0.556 1.00 0.00 C ATOM 1388 C GLY A 119 -106.233-104.206 -0.812 1.00 0.00 C ATOM 1389 O GLY A 119 -106.938-103.208 -0.935 1.00 0.00 O ATOM 0 H GLY A 119 -107.525-103.600 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.883-104.579 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.079-105.836 0.545 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.687-104.874 -1.877 1.00 0.00 N ATOM 1394 CA ASP A 120 -105.824-104.557 -3.305 1.00 0.00 C ATOM 1395 C ASP A 120 -105.963-105.864 -4.147 1.00 0.00 C ATOM 1396 O ASP A 120 -105.166-106.786 -3.934 1.00 0.00 O ATOM 1397 CB ASP A 120 -104.586-103.733 -3.791 1.00 0.00 C ATOM 1398 CG ASP A 120 -104.759-103.121 -5.191 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -105.674-102.273 -5.358 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -103.976-103.500 -6.103 1.00 0.00 O ATOM 0 H ASP A 120 -105.105-105.699 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 120 -106.726-103.960 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -104.390-102.933 -3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -103.709-104.380 -3.793 1.00 0.00 H new ATOM 1405 N PRO A 121 -106.942-106.032 -5.090 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.176-107.278 -5.837 1.00 0.00 C ATOM 1407 C PRO A 121 -106.656-107.266 -7.292 1.00 0.00 C ATOM 1408 O PRO A 121 -106.785-106.261 -7.996 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.717-107.321 -5.852 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.147-105.854 -6.014 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.039-105.078 -5.287 1.00 0.00 C ATOM 0 HA PRO A 121 -106.660-108.124 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -109.088-107.935 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -109.110-107.749 -4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -109.215-105.569 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.125-105.670 -5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -107.711-104.222 -5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.395-104.690 -4.333 1.00 0.00 H new ATOM 1419 N VAL A 122 -106.123-108.420 -7.796 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.730-108.630 -9.197 1.00 0.00 C ATOM 1421 C VAL A 122 -106.307-109.974 -9.668 1.00 0.00 C ATOM 1422 O VAL A 122 -106.345-110.969 -8.939 1.00 0.00 O ATOM 1423 CB VAL A 122 -104.224-108.519 -9.494 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -103.737-107.076 -9.219 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.404-109.545 -8.690 1.00 0.00 C ATOM 0 H VAL A 122 -105.957-109.240 -7.213 1.00 0.00 H new ATOM 0 HA VAL A 122 -106.152-107.802 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 122 -104.069-108.748 -10.548 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -102.670-107.005 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -104.281-106.380 -9.858 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -103.916-106.825 -8.174 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.346-109.433 -8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.555-109.376 -7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.729-110.553 -8.948 1.00 0.00 H new ATOM 1435 N ASP A 123 -106.822-110.047 -10.923 1.00 0.00 N ATOM 1436 CA ASP A 123 -107.416-111.254 -11.505 1.00 0.00 C ATOM 1437 C ASP A 123 -106.487-111.981 -12.472 1.00 0.00 C ATOM 1438 O ASP A 123 -105.750-111.345 -13.221 1.00 0.00 O ATOM 1439 CB ASP A 123 -108.813-110.980 -12.156 1.00 0.00 C ATOM 1440 CG ASP A 123 -108.813-109.945 -13.294 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -108.549-108.745 -13.015 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -109.091-110.350 -14.454 1.00 0.00 O ATOM 0 H ASP A 123 -106.831-109.250 -11.559 1.00 0.00 H new ATOM 0 HA ASP A 123 -107.573-111.928 -10.663 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -109.207-111.920 -12.541 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -109.498-110.642 -11.379 1.00 0.00 H new ATOM 1520 N GLU A 129 -110.944-119.626 -13.226 1.00 0.00 N ATOM 1521 CA GLU A 129 -111.620-118.340 -13.009 1.00 0.00 C ATOM 1522 C GLU A 129 -111.196-117.786 -11.652 1.00 0.00 C ATOM 1523 O GLU A 129 -111.983-117.731 -10.714 1.00 0.00 O ATOM 1524 CB GLU A 129 -113.176-118.373 -13.147 1.00 0.00 C ATOM 1525 CG GLU A 129 -113.720-118.928 -14.480 1.00 0.00 C ATOM 1526 CD GLU A 129 -113.340-118.028 -15.652 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -113.761-116.840 -15.648 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -112.633-118.520 -16.572 1.00 0.00 O ATOM 0 HA GLU A 129 -111.301-117.681 -13.816 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -113.581-118.973 -12.333 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -113.555-117.360 -13.015 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -113.326-119.931 -14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -114.805-119.017 -14.424 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.897-117.447 -11.486 1.00 0.00 N ATOM 1536 CA ILE A 130 -109.328-117.108 -10.181 1.00 0.00 C ATOM 1537 C ILE A 130 -108.814-115.680 -10.083 1.00 0.00 C ATOM 1538 O ILE A 130 -108.124-115.153 -10.969 1.00 0.00 O ATOM 1539 CB ILE A 130 -108.288-118.149 -9.736 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -107.252-118.461 -10.846 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -109.059-119.423 -9.305 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -106.185-119.481 -10.429 1.00 0.00 C ATOM 0 H ILE A 130 -109.226-117.404 -12.253 1.00 0.00 H new ATOM 0 HA ILE A 130 -110.154-117.148 -9.471 1.00 0.00 H new ATOM 0 HB ILE A 130 -107.709-117.753 -8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -107.777-118.837 -11.724 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -106.760-117.534 -11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -108.350-120.185 -8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -109.731-119.180 -8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -109.639-119.800 -10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -105.497-119.647 -11.258 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -105.633-119.100 -9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -106.666-120.422 -10.162 1.00 0.00 H new ATOM 1554 N THR A 131 -109.137-115.047 -8.914 1.00 0.00 N ATOM 1555 CA THR A 131 -108.709-113.716 -8.495 1.00 0.00 C ATOM 1556 C THR A 131 -107.847-113.971 -7.269 1.00 0.00 C ATOM 1557 O THR A 131 -108.118-114.842 -6.426 1.00 0.00 O ATOM 1558 CB THR A 131 -109.850-112.704 -8.214 1.00 0.00 C ATOM 1559 OG1 THR A 131 -110.535-112.348 -9.410 1.00 0.00 O ATOM 1560 CG2 THR A 131 -109.374-111.345 -7.664 1.00 0.00 C ATOM 0 H THR A 131 -109.735-115.493 -8.218 1.00 0.00 H new ATOM 0 HA THR A 131 -108.174-113.222 -9.306 1.00 0.00 H new ATOM 0 HB THR A 131 -110.468-113.229 -7.485 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.249-111.711 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 131 -110.235-110.699 -7.496 1.00 0.00 H new ATOM 0 HG22 THR A 131 -108.846-111.498 -6.723 1.00 0.00 H new ATOM 0 HG23 THR A 131 -108.703-110.876 -8.384 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.740-113.189 -7.162 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.819-113.218 -6.044 1.00 0.00 C ATOM 1570 C ARG A 132 -105.812-111.832 -5.451 1.00 0.00 C ATOM 1571 O ARG A 132 -105.844-110.790 -6.112 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.396-113.749 -6.351 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.638-113.041 -7.485 1.00 0.00 C ATOM 1574 CD ARG A 132 -102.178-113.502 -7.623 1.00 0.00 C ATOM 1575 NE ARG A 132 -102.140-114.981 -7.899 1.00 0.00 N ATOM 1576 CZ ARG A 132 -100.970-115.688 -7.994 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -99.764-115.074 -7.824 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -101.016-117.026 -8.263 1.00 0.00 N ATOM 0 H ARG A 132 -106.476-112.513 -7.879 1.00 0.00 H new ATOM 0 HA ARG A 132 -106.176-113.959 -5.328 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -103.799-113.675 -5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -104.471-114.808 -6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -104.158-113.219 -8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -103.657-111.966 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -101.689-112.958 -8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -101.627-113.278 -6.709 1.00 0.00 H new ATOM 0 HE ARG A 132 -103.022-115.478 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -99.724-114.075 -7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -98.902-115.614 -7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -101.915-117.490 -8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -100.151-117.562 -8.336 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.838-111.813 -4.110 1.00 0.00 N ATOM 1593 CA ILE A 133 -105.927-110.587 -3.354 1.00 0.00 C ATOM 1594 C ILE A 133 -104.768-110.630 -2.398 1.00 0.00 C ATOM 1595 O ILE A 133 -104.494-111.655 -1.764 1.00 0.00 O ATOM 1596 CB ILE A 133 -107.285-110.400 -2.652 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -108.459-110.358 -3.668 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.299-109.081 -1.840 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -109.083-111.724 -3.980 1.00 0.00 C ATOM 0 H ILE A 133 -105.797-112.654 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 133 -105.871-109.716 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 133 -107.417-111.256 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -109.235-109.699 -3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -108.102-109.916 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.266-108.965 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -106.512-109.109 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -107.129-108.239 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -109.894-111.598 -4.698 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -108.324-112.383 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -109.475-112.163 -3.063 1.00 0.00 H new