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 92 TYR OH : rot 171:sc= 1.11 USER MOD Set 1.2: A 110 TYR OH : rot 149:sc= 1.07 USER MOD Set 2.1: A 71 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=-0.28) USER MOD Set 2.2: A 73 GLN : amide:sc= 0 X(o=-0.041,f=-0.28) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 47 SER OG : rot -122:sc= 0.0477 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.7!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 70:sc= -0.541 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0258) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -140:sc= -0.0143 (180deg=-0.232) 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 45:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -112.458-125.006 2.140 1.00 0.00 N ATOM 114 CA ASP A 41 -113.469-124.466 3.043 1.00 0.00 C ATOM 115 C ASP A 41 -114.217-123.315 2.408 1.00 0.00 C ATOM 116 O ASP A 41 -113.721-122.595 1.533 1.00 0.00 O ATOM 117 CB ASP A 41 -112.936-124.121 4.475 1.00 0.00 C ATOM 118 CG ASP A 41 -111.676-123.246 4.497 1.00 0.00 C ATOM 119 OD1 ASP A 41 -111.767-122.045 4.129 1.00 0.00 O ATOM 120 OD2 ASP A 41 -110.607-123.773 4.907 1.00 0.00 O ATOM 0 HA ASP A 41 -114.181-125.274 3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -113.725-123.612 5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.725-125.051 5.003 1.00 0.00 H new ATOM 125 N VAL A 42 -115.464-123.118 2.902 1.00 0.00 N ATOM 126 CA VAL A 42 -116.397-122.062 2.545 1.00 0.00 C ATOM 127 C VAL A 42 -116.326-121.037 3.670 1.00 0.00 C ATOM 128 O VAL A 42 -116.212-121.398 4.840 1.00 0.00 O ATOM 129 CB VAL A 42 -117.812-122.603 2.311 1.00 0.00 C ATOM 130 CG1 VAL A 42 -117.844-123.291 0.930 1.00 0.00 C ATOM 131 CG2 VAL A 42 -118.242-123.593 3.415 1.00 0.00 C ATOM 0 H VAL A 42 -115.855-123.744 3.606 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.129-121.598 1.596 1.00 0.00 H new ATOM 0 HB VAL A 42 -118.518-121.773 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -118.843-123.684 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -117.588-122.567 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -117.124-124.109 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -119.251-123.951 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -117.554-124.438 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -118.226-123.090 4.382 1.00 0.00 H new ATOM 141 N ILE A 43 -116.335-119.715 3.366 1.00 0.00 N ATOM 142 CA ILE A 43 -116.193-118.636 4.353 1.00 0.00 C ATOM 143 C ILE A 43 -117.245-117.542 4.116 1.00 0.00 C ATOM 144 O ILE A 43 -117.975-117.556 3.113 1.00 0.00 O ATOM 145 CB ILE A 43 -114.761-118.083 4.532 1.00 0.00 C ATOM 146 CG1 ILE A 43 -114.313-117.065 3.467 1.00 0.00 C ATOM 147 CG2 ILE A 43 -113.704-119.214 4.695 1.00 0.00 C ATOM 148 CD1 ILE A 43 -114.111-117.653 2.070 1.00 0.00 C ATOM 0 H ILE A 43 -116.443-119.372 2.411 1.00 0.00 H new ATOM 0 HA ILE A 43 -116.391-119.094 5.322 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.819-117.521 5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -115.056-116.270 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -113.379-116.606 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -112.715-118.773 4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -113.945-119.814 5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -113.711-119.849 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -113.796-116.865 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -113.345-118.428 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -115.048-118.086 1.719 1.00 0.00 H new ATOM 160 N THR A 44 -117.370-116.560 5.080 1.00 0.00 N ATOM 161 CA THR A 44 -118.432-115.529 5.013 1.00 0.00 C ATOM 162 C THR A 44 -117.892-114.113 4.926 1.00 0.00 C ATOM 163 O THR A 44 -117.158-113.663 5.811 1.00 0.00 O ATOM 164 CB THR A 44 -119.404-115.575 6.205 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.952-116.877 6.357 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.601-114.612 6.020 1.00 0.00 C ATOM 0 H THR A 44 -116.754-116.476 5.889 1.00 0.00 H new ATOM 0 HA THR A 44 -118.963-115.778 4.094 1.00 0.00 H new ATOM 0 HB THR A 44 -118.819-115.282 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.566-116.886 7.121 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.259-114.679 6.886 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.234-113.590 5.922 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.154-114.887 5.122 1.00 0.00 H new ATOM 174 N PHE A 45 -118.303-113.366 3.861 1.00 0.00 N ATOM 175 CA PHE A 45 -117.965-111.947 3.671 1.00 0.00 C ATOM 176 C PHE A 45 -119.136-111.019 3.987 1.00 0.00 C ATOM 177 O PHE A 45 -120.264-111.264 3.547 1.00 0.00 O ATOM 178 CB PHE A 45 -117.522-111.685 2.221 1.00 0.00 C ATOM 179 CG PHE A 45 -116.283-112.487 1.992 1.00 0.00 C ATOM 180 CD1 PHE A 45 -115.059-111.951 2.325 1.00 0.00 C ATOM 181 CD2 PHE A 45 -116.343-113.764 1.457 1.00 0.00 C ATOM 182 CE1 PHE A 45 -113.920-112.696 2.142 1.00 0.00 C ATOM 183 CE2 PHE A 45 -115.203-114.496 1.237 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.991-113.964 1.605 1.00 0.00 C ATOM 0 H PHE A 45 -118.882-113.746 3.112 1.00 0.00 H new ATOM 0 HA PHE A 45 -117.153-111.733 4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -118.305-111.975 1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -117.330-110.624 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -114.995-110.951 2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -117.304-114.191 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -112.961-112.285 2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -115.258-115.474 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 45 -113.089-114.542 1.473 1.00 0.00 H new ATOM 194 N GLN A 46 -118.846-109.935 4.767 1.00 0.00 N ATOM 195 CA GLN A 46 -119.781-108.955 5.292 1.00 0.00 C ATOM 196 C GLN A 46 -119.139-107.572 5.268 1.00 0.00 C ATOM 197 O GLN A 46 -117.935-107.420 5.464 1.00 0.00 O ATOM 198 CB GLN A 46 -120.208-109.385 6.731 1.00 0.00 C ATOM 199 CG GLN A 46 -119.051-109.809 7.682 1.00 0.00 C ATOM 200 CD GLN A 46 -119.597-110.488 8.943 1.00 0.00 C ATOM 201 OE1 GLN A 46 -120.624-110.067 9.474 1.00 0.00 O ATOM 202 NE2 GLN A 46 -118.908-111.554 9.436 1.00 0.00 N ATOM 0 H GLN A 46 -117.887-109.732 5.050 1.00 0.00 H new ATOM 0 HA GLN A 46 -120.678-108.906 4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -120.747-108.558 7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -120.909-110.216 6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -118.378-110.490 7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -118.465-108.933 7.961 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -118.060-111.874 8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -119.240-112.033 10.273 1.00 0.00 H new ATOM 211 N SER A 47 -119.921-106.495 5.021 1.00 0.00 N ATOM 212 CA SER A 47 -119.412-105.121 4.920 1.00 0.00 C ATOM 213 C SER A 47 -120.280-104.104 5.663 1.00 0.00 C ATOM 214 O SER A 47 -121.389-104.385 6.130 1.00 0.00 O ATOM 215 CB SER A 47 -119.162-104.695 3.444 1.00 0.00 C ATOM 216 OG SER A 47 -120.304-104.897 2.614 1.00 0.00 O ATOM 0 H SER A 47 -120.930-106.564 4.886 1.00 0.00 H new ATOM 0 HA SER A 47 -118.446-105.125 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 47 -118.879-103.643 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 47 -118.322-105.262 3.043 1.00 0.00 H new ATOM 0 HG SER A 47 -120.066-105.487 1.869 1.00 0.00 H new ATOM 222 N TYR A 48 -119.727-102.870 5.810 1.00 0.00 N ATOM 223 CA TYR A 48 -120.272-101.716 6.502 1.00 0.00 C ATOM 224 C TYR A 48 -120.542-100.623 5.470 1.00 0.00 C ATOM 225 O TYR A 48 -119.680-100.301 4.650 1.00 0.00 O ATOM 226 CB TYR A 48 -119.210-101.283 7.558 1.00 0.00 C ATOM 227 CG TYR A 48 -119.638-100.206 8.524 1.00 0.00 C ATOM 228 CD1 TYR A 48 -120.803-100.316 9.265 1.00 0.00 C ATOM 229 CD2 TYR A 48 -118.818 -99.113 8.732 1.00 0.00 C ATOM 230 CE1 TYR A 48 -121.143 -99.356 10.201 1.00 0.00 C ATOM 231 CE2 TYR A 48 -119.145 -98.160 9.674 1.00 0.00 C ATOM 232 CZ TYR A 48 -120.301 -98.278 10.410 1.00 0.00 C ATOM 233 OH TYR A 48 -120.591 -97.273 11.356 1.00 0.00 O ATOM 0 H TYR A 48 -118.814-102.661 5.407 1.00 0.00 H new ATOM 0 HA TYR A 48 -121.213-101.928 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -118.918-102.163 8.132 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -118.321-100.937 7.030 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -121.455-101.163 9.110 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -117.913 -99.004 8.152 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -122.060 -99.447 10.765 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -118.490 -97.317 9.835 1.00 0.00 H new ATOM 0 HH TYR A 48 -119.875 -96.604 11.352 1.00 0.00 H new ATOM 431 N TRP A 62 -124.617-102.927 9.178 1.00 0.00 N ATOM 432 CA TRP A 62 -123.790-104.051 8.843 1.00 0.00 C ATOM 433 C TRP A 62 -124.720-105.015 8.090 1.00 0.00 C ATOM 434 O TRP A 62 -125.838-105.298 8.531 1.00 0.00 O ATOM 435 CB TRP A 62 -123.244-104.682 10.155 1.00 0.00 C ATOM 436 CG TRP A 62 -122.058-103.932 10.746 1.00 0.00 C ATOM 437 CD1 TRP A 62 -121.906-103.084 11.810 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.749-104.125 10.210 1.00 0.00 C ATOM 439 NE1 TRP A 62 -120.581-102.750 11.963 1.00 0.00 N ATOM 440 CE2 TRP A 62 -119.866-103.402 10.997 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.327-104.866 9.157 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.537-103.432 10.763 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -118.970-104.913 8.916 1.00 0.00 C ATOM 444 CH2 TRP A 62 -118.082-104.209 9.717 1.00 0.00 C ATOM 0 HA TRP A 62 -122.926-103.791 8.232 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -124.046-104.716 10.893 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -122.949-105.713 9.957 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -122.710-102.729 12.438 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -120.198-102.125 12.673 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -121.027-105.399 8.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -117.851-102.866 11.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.594-105.505 8.094 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -117.022-104.270 9.519 1.00 0.00 H new ATOM 455 N VAL A 63 -124.265-105.522 6.920 1.00 0.00 N ATOM 456 CA VAL A 63 -125.006-106.440 6.074 1.00 0.00 C ATOM 457 C VAL A 63 -123.988-107.410 5.524 1.00 0.00 C ATOM 458 O VAL A 63 -122.794-107.103 5.488 1.00 0.00 O ATOM 459 CB VAL A 63 -125.789-105.699 4.974 1.00 0.00 C ATOM 460 CG1 VAL A 63 -124.884-105.124 3.855 1.00 0.00 C ATOM 461 CG2 VAL A 63 -126.916-106.583 4.396 1.00 0.00 C ATOM 0 H VAL A 63 -123.347-105.287 6.544 1.00 0.00 H new ATOM 0 HA VAL A 63 -125.772-106.974 6.636 1.00 0.00 H new ATOM 0 HB VAL A 63 -126.248-104.836 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -125.501-104.615 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -124.177-104.416 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -124.337-105.936 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -127.450-106.032 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -126.485-107.487 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -127.609-106.855 5.192 1.00 0.00 H new ATOM 471 N ASP A 64 -124.440-108.604 5.055 1.00 0.00 N ATOM 472 CA ASP A 64 -123.637-109.647 4.418 1.00 0.00 C ATOM 473 C ASP A 64 -123.448-109.322 2.937 1.00 0.00 C ATOM 474 O ASP A 64 -124.355-108.806 2.293 1.00 0.00 O ATOM 475 CB ASP A 64 -124.204-111.090 4.633 1.00 0.00 C ATOM 476 CG ASP A 64 -125.655-111.288 4.160 1.00 0.00 C ATOM 477 OD1 ASP A 64 -126.578-110.702 4.786 1.00 0.00 O ATOM 478 OD2 ASP A 64 -125.849-112.040 3.167 1.00 0.00 O ATOM 0 H ASP A 64 -125.424-108.864 5.121 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.663-109.652 4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -123.565-111.799 4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -124.145-111.334 5.694 1.00 0.00 H new ATOM 483 N GLU A 65 -122.244-109.579 2.376 1.00 0.00 N ATOM 484 CA GLU A 65 -121.904-109.270 0.992 1.00 0.00 C ATOM 485 C GLU A 65 -122.116-110.482 0.110 1.00 0.00 C ATOM 486 O GLU A 65 -122.870-110.443 -0.864 1.00 0.00 O ATOM 487 CB GLU A 65 -120.436-108.750 0.867 1.00 0.00 C ATOM 488 CG GLU A 65 -120.098-108.064 -0.479 1.00 0.00 C ATOM 489 CD GLU A 65 -120.712-106.669 -0.644 1.00 0.00 C ATOM 490 OE1 GLU A 65 -121.486-106.222 0.240 1.00 0.00 O ATOM 491 OE2 GLU A 65 -120.402-106.029 -1.686 1.00 0.00 O ATOM 0 H GLU A 65 -121.478-110.014 2.891 1.00 0.00 H new ATOM 0 HA GLU A 65 -122.568-108.473 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -120.246-108.044 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.756-109.589 1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -119.015-107.985 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -120.443-108.699 -1.295 1.00 0.00 H new ATOM 498 N PHE A 66 -121.422-111.593 0.455 1.00 0.00 N ATOM 499 CA PHE A 66 -121.488-112.813 -0.324 1.00 0.00 C ATOM 500 C PHE A 66 -120.979-113.925 0.562 1.00 0.00 C ATOM 501 O PHE A 66 -120.418-113.708 1.638 1.00 0.00 O ATOM 502 CB PHE A 66 -120.748-112.752 -1.724 1.00 0.00 C ATOM 503 CG PHE A 66 -119.248-112.544 -1.644 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.722-111.328 -1.272 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.371-113.585 -1.858 1.00 0.00 C ATOM 506 CE1 PHE A 66 -117.387-111.171 -0.985 1.00 0.00 C ATOM 507 CE2 PHE A 66 -117.022-113.431 -1.612 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.514-112.224 -1.152 1.00 0.00 C ATOM 0 H PHE A 66 -120.814-111.651 1.272 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.523-112.989 -0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.943-113.679 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -121.181-111.944 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -119.377-110.472 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.743-114.531 -2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -117.021-110.220 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.352-114.261 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.463-112.113 -0.931 1.00 0.00 H new ATOM 518 N THR A 67 -121.125-115.174 0.089 1.00 0.00 N ATOM 519 CA THR A 67 -120.619-116.365 0.751 1.00 0.00 C ATOM 520 C THR A 67 -119.947-117.086 -0.380 1.00 0.00 C ATOM 521 O THR A 67 -120.493-117.191 -1.481 1.00 0.00 O ATOM 522 CB THR A 67 -121.649-117.253 1.468 1.00 0.00 C ATOM 523 OG1 THR A 67 -122.897-117.335 0.787 1.00 0.00 O ATOM 524 CG2 THR A 67 -121.901-116.679 2.871 1.00 0.00 C ATOM 0 H THR A 67 -121.611-115.377 -0.785 1.00 0.00 H new ATOM 0 HA THR A 67 -119.976-116.096 1.589 1.00 0.00 H new ATOM 0 HB THR A 67 -121.232-118.259 1.504 1.00 0.00 H new ATOM 0 HG1 THR A 67 -123.507-117.914 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 67 -122.630-117.299 3.392 1.00 0.00 H new ATOM 0 HG22 THR A 67 -120.967-116.668 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.285-115.662 2.785 1.00 0.00 H new ATOM 532 N ALA A 68 -118.715-117.565 -0.127 1.00 0.00 N ATOM 533 CA ALA A 68 -117.941-118.237 -1.176 1.00 0.00 C ATOM 534 C ALA A 68 -117.025-119.324 -0.658 1.00 0.00 C ATOM 535 O ALA A 68 -116.727-119.395 0.532 1.00 0.00 O ATOM 536 CB ALA A 68 -117.129-117.227 -2.022 1.00 0.00 C ATOM 0 H ALA A 68 -118.246-117.500 0.776 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.685-118.722 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.569-117.762 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.809-116.520 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.436-116.686 -1.377 1.00 0.00 H new ATOM 542 N ALA A 69 -116.535-120.198 -1.587 1.00 0.00 N ATOM 543 CA ALA A 69 -115.522-121.219 -1.378 1.00 0.00 C ATOM 544 C ALA A 69 -114.217-120.568 -1.818 1.00 0.00 C ATOM 545 O ALA A 69 -114.063-120.121 -2.957 1.00 0.00 O ATOM 546 CB ALA A 69 -115.844-122.503 -2.162 1.00 0.00 C ATOM 0 H ALA A 69 -116.871-120.189 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.467-121.545 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -115.065-123.244 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.805-122.899 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.890-122.277 -3.227 1.00 0.00 H new ATOM 552 N ALA A 70 -113.271-120.409 -0.871 1.00 0.00 N ATOM 553 CA ALA A 70 -112.122-119.559 -1.123 1.00 0.00 C ATOM 554 C ALA A 70 -111.204-119.702 0.056 1.00 0.00 C ATOM 555 O ALA A 70 -111.632-120.011 1.172 1.00 0.00 O ATOM 556 CB ALA A 70 -112.539-118.073 -1.246 1.00 0.00 C ATOM 0 H ALA A 70 -113.289-120.851 0.048 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.645-119.855 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.656-117.462 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.242-117.959 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -113.013-117.750 -0.319 1.00 0.00 H new ATOM 562 N HIS A 71 -109.897-119.448 -0.176 1.00 0.00 N ATOM 563 CA HIS A 71 -108.869-119.465 0.833 1.00 0.00 C ATOM 564 C HIS A 71 -108.485-118.005 1.047 1.00 0.00 C ATOM 565 O HIS A 71 -107.822-117.401 0.209 1.00 0.00 O ATOM 566 CB HIS A 71 -107.642-120.198 0.242 1.00 0.00 C ATOM 567 CG HIS A 71 -106.422-120.206 1.100 1.00 0.00 C ATOM 568 ND1 HIS A 71 -106.376-120.717 2.375 1.00 0.00 N ATOM 569 CD2 HIS A 71 -105.175-119.754 0.824 1.00 0.00 C ATOM 570 CE1 HIS A 71 -105.100-120.573 2.806 1.00 0.00 C ATOM 571 NE2 HIS A 71 -104.341-120.002 1.892 1.00 0.00 N ATOM 0 H HIS A 71 -109.540-119.221 -1.104 1.00 0.00 H new ATOM 0 HA HIS A 71 -109.193-119.949 1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -107.924-121.230 0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.390-119.736 -0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -104.879-119.271 -0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -104.748-120.887 3.778 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -103.346-119.789 1.961 1.00 0.00 H new ATOM 579 N VAL A 72 -108.875-117.391 2.181 1.00 0.00 N ATOM 580 CA VAL A 72 -108.620-115.997 2.516 1.00 0.00 C ATOM 581 C VAL A 72 -108.016-116.149 3.902 1.00 0.00 C ATOM 582 O VAL A 72 -108.668-116.629 4.823 1.00 0.00 O ATOM 583 CB VAL A 72 -109.922-115.168 2.275 1.00 0.00 C ATOM 584 CG1 VAL A 72 -111.125-115.989 2.744 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.081-113.690 2.748 1.00 0.00 C ATOM 0 H VAL A 72 -109.395-117.880 2.909 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.929-115.402 1.919 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.845-115.000 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -112.040-115.420 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -111.172-116.921 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -111.021-116.212 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.069-113.323 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -109.968-113.640 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -109.318-113.072 2.275 1.00 0.00 H new ATOM 595 N GLN A 73 -106.703-115.832 4.069 1.00 0.00 N ATOM 596 CA GLN A 73 -105.983-115.999 5.331 1.00 0.00 C ATOM 597 C GLN A 73 -105.043-114.814 5.570 1.00 0.00 C ATOM 598 O GLN A 73 -104.518-114.258 4.602 1.00 0.00 O ATOM 599 CB GLN A 73 -105.166-117.332 5.397 1.00 0.00 C ATOM 600 CG GLN A 73 -103.981-117.484 4.409 1.00 0.00 C ATOM 601 CD GLN A 73 -102.920-118.441 4.969 1.00 0.00 C ATOM 602 OE1 GLN A 73 -103.168-119.637 5.145 1.00 0.00 O ATOM 603 NE2 GLN A 73 -101.715-117.893 5.298 1.00 0.00 N ATOM 0 H GLN A 73 -106.125-115.453 3.319 1.00 0.00 H new ATOM 0 HA GLN A 73 -106.741-116.042 6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -104.778-117.441 6.410 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -105.855-118.160 5.229 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -104.346-117.859 3.452 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -103.533-116.509 4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -101.546-116.900 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -100.983-118.476 5.704 1.00 0.00 H new ATOM 612 N PRO A 74 -104.778-114.354 6.815 1.00 0.00 N ATOM 613 CA PRO A 74 -103.836-113.268 7.114 1.00 0.00 C ATOM 614 C PRO A 74 -102.366-113.670 6.921 1.00 0.00 C ATOM 615 O PRO A 74 -102.041-114.852 7.019 1.00 0.00 O ATOM 616 CB PRO A 74 -104.151-112.933 8.584 1.00 0.00 C ATOM 617 CG PRO A 74 -104.633-114.247 9.195 1.00 0.00 C ATOM 618 CD PRO A 74 -105.388-114.893 8.035 1.00 0.00 C ATOM 0 HA PRO A 74 -103.956-112.421 6.438 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -103.268-112.558 9.101 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -104.916-112.160 8.657 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -103.802-114.866 9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -105.279-114.081 10.057 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -105.302-115.979 8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -106.451-114.656 8.079 1.00 0.00 H new ATOM 626 N ILE A 75 -101.476-112.676 6.659 1.00 0.00 N ATOM 627 CA ILE A 75 -100.016-112.752 6.488 1.00 0.00 C ATOM 628 C ILE A 75 -99.427-113.617 5.358 1.00 0.00 C ATOM 629 O ILE A 75 -99.734-114.788 5.157 1.00 0.00 O ATOM 630 CB ILE A 75 -99.193-112.821 7.789 1.00 0.00 C ATOM 631 CG1 ILE A 75 -99.324-114.156 8.570 1.00 0.00 C ATOM 632 CG2 ILE A 75 -99.591-111.593 8.641 1.00 0.00 C ATOM 633 CD1 ILE A 75 -98.283-114.320 9.686 1.00 0.00 C ATOM 0 H ILE A 75 -101.802-111.715 6.554 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.880-111.751 6.079 1.00 0.00 H new ATOM 0 HB ILE A 75 -98.133-112.795 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -100.322-114.217 9.004 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -99.229-114.987 7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -99.030-111.601 9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -99.365-110.680 8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -100.658-111.631 8.858 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -98.435-115.275 10.188 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -97.282-114.292 9.256 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -98.392-113.510 10.407 1.00 0.00 H new ATOM 894 N GLY A 91 -100.868-107.380 5.801 1.00 0.00 N ATOM 895 CA GLY A 91 -100.700-108.438 4.812 1.00 0.00 C ATOM 896 C GLY A 91 -101.669-109.564 4.918 1.00 0.00 C ATOM 897 O GLY A 91 -102.028-110.043 5.995 1.00 0.00 O ATOM 0 HA2 GLY A 91 -100.783-108.000 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -99.690-108.839 4.900 1.00 0.00 H new ATOM 901 N TYR A 92 -102.087-110.051 3.735 1.00 0.00 N ATOM 902 CA TYR A 92 -102.992-111.161 3.552 1.00 0.00 C ATOM 903 C TYR A 92 -102.453-111.963 2.412 1.00 0.00 C ATOM 904 O TYR A 92 -101.791-111.446 1.512 1.00 0.00 O ATOM 905 CB TYR A 92 -104.490-110.816 3.230 1.00 0.00 C ATOM 906 CG TYR A 92 -105.212-110.550 4.511 1.00 0.00 C ATOM 907 CD1 TYR A 92 -104.996-109.425 5.289 1.00 0.00 C ATOM 908 CD2 TYR A 92 -106.086-111.511 4.964 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.617-109.288 6.513 1.00 0.00 C ATOM 910 CE2 TYR A 92 -106.673-111.399 6.197 1.00 0.00 C ATOM 911 CZ TYR A 92 -106.460-110.276 6.964 1.00 0.00 C ATOM 912 OH TYR A 92 -107.121-110.106 8.190 1.00 0.00 O ATOM 0 H TYR A 92 -101.778-109.650 2.849 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.030-111.676 4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -104.544-109.944 2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -104.961-111.642 2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -104.335-108.648 4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -106.312-112.363 4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.442-108.408 7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -107.304-112.193 6.568 1.00 0.00 H new ATOM 0 HH TYR A 92 -107.787-110.816 8.304 1.00 0.00 H new ATOM 922 N ASN A 93 -102.853-113.252 2.466 1.00 0.00 N ATOM 923 CA ASN A 93 -102.705-114.247 1.420 1.00 0.00 C ATOM 924 C ASN A 93 -104.133-114.635 1.096 1.00 0.00 C ATOM 925 O ASN A 93 -104.856-115.179 1.936 1.00 0.00 O ATOM 926 CB ASN A 93 -101.996-115.535 1.942 1.00 0.00 C ATOM 927 CG ASN A 93 -100.529-115.592 1.551 1.00 0.00 C ATOM 928 OD1 ASN A 93 -99.954-114.697 0.920 1.00 0.00 O ATOM 929 ND2 ASN A 93 -99.897-116.733 1.936 1.00 0.00 N ATOM 0 H ASN A 93 -103.312-113.632 3.294 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.121-113.855 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -102.081-115.578 3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -102.508-116.413 1.547 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -98.913-116.874 1.705 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -100.407-117.448 2.455 1.00 0.00 H new ATOM 936 N ILE A 94 -104.570-114.415 -0.159 1.00 0.00 N ATOM 937 CA ILE A 94 -105.885-114.817 -0.596 1.00 0.00 C ATOM 938 C ILE A 94 -105.710-115.371 -1.982 1.00 0.00 C ATOM 939 O ILE A 94 -105.135-114.725 -2.871 1.00 0.00 O ATOM 940 CB ILE A 94 -107.011-113.741 -0.535 1.00 0.00 C ATOM 941 CG1 ILE A 94 -107.001-112.643 -1.624 1.00 0.00 C ATOM 942 CG2 ILE A 94 -107.000-113.012 0.828 1.00 0.00 C ATOM 943 CD1 ILE A 94 -107.821-112.941 -2.883 1.00 0.00 C ATOM 0 H ILE A 94 -104.013-113.956 -0.880 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.259-115.553 0.115 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.907-114.339 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -107.372-111.718 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -105.968-112.463 -1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -107.794-112.266 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -107.161-113.734 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -106.037-112.521 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -107.741-112.103 -3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -107.440-113.844 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -108.866-113.088 -2.610 1.00 0.00 H new ATOM 955 N TYR A 95 -106.293-116.579 -2.224 1.00 0.00 N ATOM 956 CA TYR A 95 -106.491-117.127 -3.540 1.00 0.00 C ATOM 957 C TYR A 95 -108.000-117.355 -3.415 1.00 0.00 C ATOM 958 O TYR A 95 -108.485-118.101 -2.565 1.00 0.00 O ATOM 959 CB TYR A 95 -105.507-118.303 -3.897 1.00 0.00 C ATOM 960 CG TYR A 95 -106.119-119.671 -3.972 1.00 0.00 C ATOM 961 CD1 TYR A 95 -107.074-119.954 -4.930 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.875-120.585 -2.974 1.00 0.00 C ATOM 963 CE1 TYR A 95 -107.853-121.083 -4.823 1.00 0.00 C ATOM 964 CE2 TYR A 95 -106.609-121.744 -2.907 1.00 0.00 C ATOM 965 CZ TYR A 95 -107.595-122.016 -3.835 1.00 0.00 C ATOM 966 OH TYR A 95 -108.298-123.237 -3.717 1.00 0.00 O ATOM 0 H TYR A 95 -106.634-117.186 -1.479 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.236-116.537 -4.421 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -105.041-118.082 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.711-118.323 -3.153 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -107.210-119.285 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -105.105-120.391 -2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -108.669-121.241 -5.513 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -106.412-122.453 -2.117 1.00 0.00 H new ATOM 0 HH TYR A 95 -107.952-123.741 -2.951 1.00 0.00 H new ATOM 976 N THR A 96 -108.791-116.622 -4.226 1.00 0.00 N ATOM 977 CA THR A 96 -110.250-116.667 -4.146 1.00 0.00 C ATOM 978 C THR A 96 -110.725-116.684 -5.596 1.00 0.00 C ATOM 979 O THR A 96 -110.566-115.645 -6.247 1.00 0.00 O ATOM 980 CB THR A 96 -110.726-115.409 -3.410 1.00 0.00 C ATOM 981 OG1 THR A 96 -110.266-115.457 -2.057 1.00 0.00 O ATOM 982 CG2 THR A 96 -112.261-115.180 -3.422 1.00 0.00 C ATOM 0 H THR A 96 -108.433-115.992 -4.944 1.00 0.00 H new ATOM 0 HA THR A 96 -110.637-117.531 -3.606 1.00 0.00 H new ATOM 0 HB THR A 96 -110.301-114.567 -3.956 1.00 0.00 H new ATOM 0 HG1 THR A 96 -109.294-115.336 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 96 -112.497-114.266 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 96 -112.607-115.087 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 96 -112.759-116.025 -2.947 1.00 0.00 H new ATOM 990 N PRO A 97 -111.284-117.785 -6.187 1.00 0.00 N ATOM 991 CA PRO A 97 -111.702-117.886 -7.603 1.00 0.00 C ATOM 992 C PRO A 97 -112.780-116.875 -7.996 1.00 0.00 C ATOM 993 O PRO A 97 -113.728-116.715 -7.236 1.00 0.00 O ATOM 994 CB PRO A 97 -112.169-119.348 -7.745 1.00 0.00 C ATOM 995 CG PRO A 97 -111.320-120.079 -6.708 1.00 0.00 C ATOM 996 CD PRO A 97 -111.343-119.097 -5.537 1.00 0.00 C ATOM 0 HA PRO A 97 -110.888-117.640 -8.285 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -113.235-119.453 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -111.997-119.731 -8.751 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -111.746-121.046 -6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -110.307-120.265 -7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -112.247-119.208 -4.939 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -110.497-119.251 -4.868 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.567-116.141 -9.119 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.249-115.013 -9.780 1.00 0.00 C ATOM 1006 C TYR A 98 -114.212-114.041 -9.056 1.00 0.00 C ATOM 1007 O TYR A 98 -114.954-113.277 -9.670 1.00 0.00 O ATOM 1008 CB TYR A 98 -113.749-115.436 -11.192 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.507-114.367 -12.236 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -112.243-113.829 -12.431 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -114.556-113.880 -12.994 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -112.046-112.813 -13.340 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -114.352-112.879 -13.924 1.00 0.00 C ATOM 1014 CZ TYR A 98 -113.093-112.346 -14.101 1.00 0.00 C ATOM 1015 OH TYR A 98 -112.873-111.334 -15.058 1.00 0.00 O ATOM 0 H TYR A 98 -111.751-116.385 -9.681 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.419-114.307 -9.795 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -113.244-116.354 -11.493 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -114.815-115.659 -11.145 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.406-114.210 -11.865 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -115.547-114.287 -12.857 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -111.063-112.380 -13.456 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -115.180-112.513 -14.513 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.717-111.121 -15.509 1.00 0.00 H new ATOM 1025 N ASP A 99 -114.153-114.029 -7.709 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.823-113.149 -6.760 1.00 0.00 C ATOM 1027 C ASP A 99 -113.776-112.161 -6.260 1.00 0.00 C ATOM 1028 O ASP A 99 -112.854-112.523 -5.528 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.447-113.894 -5.541 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.684-114.696 -5.960 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -116.533-115.688 -6.721 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -117.802-114.327 -5.509 1.00 0.00 O ATOM 0 H ASP A 99 -113.572-114.710 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.655-112.666 -7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.707-114.563 -5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.721-113.173 -4.771 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.888-110.867 -6.646 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.935-109.808 -6.313 1.00 0.00 C ATOM 1039 C ASP A 100 -113.362-108.961 -5.122 1.00 0.00 C ATOM 1040 O ASP A 100 -112.929-107.822 -4.985 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.633-108.916 -7.565 1.00 0.00 C ATOM 1042 CG ASP A 100 -113.894-108.432 -8.302 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -114.596-107.533 -7.767 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -114.161-108.957 -9.416 1.00 0.00 O ATOM 0 H ASP A 100 -114.668-110.534 -7.212 1.00 0.00 H new ATOM 0 HA ASP A 100 -112.015-110.308 -6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -112.052-108.049 -7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -112.011-109.480 -8.260 1.00 0.00 H new ATOM 1049 N ARG A 101 -114.241-109.500 -4.242 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.835-108.808 -3.101 1.00 0.00 C ATOM 1051 C ARG A 101 -114.245-109.141 -1.739 1.00 0.00 C ATOM 1052 O ARG A 101 -114.730-108.635 -0.736 1.00 0.00 O ATOM 1053 CB ARG A 101 -116.381-108.926 -3.120 1.00 0.00 C ATOM 1054 CG ARG A 101 -117.047-108.323 -4.371 1.00 0.00 C ATOM 1055 CD ARG A 101 -116.834-106.809 -4.528 1.00 0.00 C ATOM 1056 NE ARG A 101 -117.504-106.361 -5.798 1.00 0.00 N ATOM 1057 CZ ARG A 101 -117.238-105.161 -6.403 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -116.334-104.290 -5.869 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -117.886-104.837 -7.561 1.00 0.00 N ATOM 0 H ARG A 101 -114.559-110.466 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 101 -114.560-107.763 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -116.654-109.979 -3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.782-108.432 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.658-108.827 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -118.117-108.526 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -117.250-106.277 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -115.769-106.578 -4.560 1.00 0.00 H new ATOM 0 HE ARG A 101 -118.190-106.981 -6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -115.844-104.528 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -116.148-103.401 -6.332 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -118.560-105.486 -7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -117.696-103.946 -8.020 1.00 0.00 H new ATOM 1073 N ILE A 102 -113.193-110.013 -1.645 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.426-110.488 -0.508 1.00 0.00 C ATOM 1075 C ILE A 102 -111.855-109.380 0.366 1.00 0.00 C ATOM 1076 O ILE A 102 -112.194-109.291 1.537 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.345-111.477 -0.996 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -111.139-111.522 -2.533 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -111.775-112.876 -0.540 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -110.395-110.328 -3.122 1.00 0.00 C ATOM 0 H ILE A 102 -112.836-110.442 -2.499 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.116-111.011 0.155 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.398-111.140 -0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -110.592-112.431 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -112.115-111.595 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -111.036-113.608 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -111.852-112.897 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -112.743-113.119 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -110.302-110.453 -4.201 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -110.949-109.413 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -109.402-110.263 -2.677 1.00 0.00 H new ATOM 1092 N ASP A 103 -111.028-108.486 -0.223 1.00 0.00 N ATOM 1093 CA ASP A 103 -110.475-107.284 0.375 1.00 0.00 C ATOM 1094 C ASP A 103 -110.758-106.155 -0.602 1.00 0.00 C ATOM 1095 O ASP A 103 -110.210-106.124 -1.700 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.946-107.380 0.683 1.00 0.00 C ATOM 1097 CG ASP A 103 -108.149-108.062 -0.436 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -108.137-109.321 -0.467 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -107.545-107.333 -1.266 1.00 0.00 O ATOM 0 H ASP A 103 -110.720-108.607 -1.188 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.941-107.118 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.550-106.377 0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -108.802-107.932 1.612 1.00 0.00 H new ATOM 1104 N LYS A 104 -111.629-105.213 -0.186 1.00 0.00 N ATOM 1105 CA LYS A 104 -112.059-104.042 -0.944 1.00 0.00 C ATOM 1106 C LYS A 104 -112.817-103.205 0.074 1.00 0.00 C ATOM 1107 O LYS A 104 -113.880-102.660 -0.206 1.00 0.00 O ATOM 1108 CB LYS A 104 -112.964-104.375 -2.185 1.00 0.00 C ATOM 1109 CG LYS A 104 -112.258-104.420 -3.555 1.00 0.00 C ATOM 1110 CD LYS A 104 -111.679-103.065 -4.003 1.00 0.00 C ATOM 1111 CE LYS A 104 -111.283-103.064 -5.486 1.00 0.00 C ATOM 1112 NZ LYS A 104 -110.735-101.749 -5.890 1.00 0.00 N ATOM 0 H LYS A 104 -112.067-105.260 0.734 1.00 0.00 H new ATOM 0 HA LYS A 104 -111.201-103.532 -1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -113.438-105.341 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -113.761-103.633 -2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -111.452-105.153 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -112.967-104.768 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -112.415-102.281 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -110.806-102.827 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -110.542-103.842 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -112.153-103.303 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -110.382-101.805 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -111.483-101.029 -5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -109.955-101.488 -5.254 1.00 0.00 H new ATOM 1126 N LYS A 105 -112.282-103.134 1.329 1.00 0.00 N ATOM 1127 CA LYS A 105 -112.831-102.477 2.525 1.00 0.00 C ATOM 1128 C LYS A 105 -114.039-103.232 3.083 1.00 0.00 C ATOM 1129 O LYS A 105 -115.193-102.832 2.906 1.00 0.00 O ATOM 1130 CB LYS A 105 -113.096-100.946 2.357 1.00 0.00 C ATOM 1131 CG LYS A 105 -113.422-100.154 3.645 1.00 0.00 C ATOM 1132 CD LYS A 105 -112.312-100.153 4.712 1.00 0.00 C ATOM 1133 CE LYS A 105 -112.718 -99.407 5.990 1.00 0.00 C ATOM 1134 NZ LYS A 105 -111.624 -99.433 6.988 1.00 0.00 N ATOM 0 H LYS A 105 -111.384-103.574 1.532 1.00 0.00 H new ATOM 0 HA LYS A 105 -112.041-102.530 3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -112.217-100.497 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -113.924-100.818 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -113.642 -99.122 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -114.329-100.567 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -112.055-101.182 4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -111.415 -99.693 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -112.971 -98.375 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -113.613 -99.863 6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -111.922 -98.922 7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -111.401-100.419 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -110.779 -98.976 6.589 1.00 0.00 H new ATOM 1148 N MET A 106 -113.781-104.387 3.763 1.00 0.00 N ATOM 1149 CA MET A 106 -114.815-105.282 4.282 1.00 0.00 C ATOM 1150 C MET A 106 -114.324-105.938 5.566 1.00 0.00 C ATOM 1151 O MET A 106 -113.205-105.708 6.048 1.00 0.00 O ATOM 1152 CB MET A 106 -115.194-106.424 3.272 1.00 0.00 C ATOM 1153 CG MET A 106 -115.630-105.946 1.874 1.00 0.00 C ATOM 1154 SD MET A 106 -116.821-107.044 1.056 1.00 0.00 S ATOM 1155 CE MET A 106 -116.923-105.984 -0.413 1.00 0.00 C ATOM 0 H MET A 106 -112.834-104.710 3.959 1.00 0.00 H new ATOM 0 HA MET A 106 -115.700-104.669 4.456 1.00 0.00 H new ATOM 0 HB2 MET A 106 -114.336-107.088 3.160 1.00 0.00 H new ATOM 0 HB3 MET A 106 -116.001-107.016 3.704 1.00 0.00 H new ATOM 0 HG2 MET A 106 -116.069-104.952 1.962 1.00 0.00 H new ATOM 0 HG3 MET A 106 -114.747-105.850 1.242 1.00 0.00 H new ATOM 0 HE1 MET A 106 -117.957-105.936 -0.756 1.00 0.00 H new ATOM 0 HE2 MET A 106 -116.577-104.981 -0.163 1.00 0.00 H new ATOM 0 HE3 MET A 106 -116.297-106.397 -1.204 1.00 0.00 H new ATOM 1165 N ARG A 107 -115.179-106.831 6.120 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.943-107.654 7.283 1.00 0.00 C ATOM 1167 C ARG A 107 -115.189-109.087 6.845 1.00 0.00 C ATOM 1168 O ARG A 107 -116.037-109.405 6.004 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.841-107.204 8.460 1.00 0.00 C ATOM 1170 CG ARG A 107 -115.524-107.835 9.826 1.00 0.00 C ATOM 1171 CD ARG A 107 -116.179-107.041 10.966 1.00 0.00 C ATOM 1172 NE ARG A 107 -115.722-107.604 12.281 1.00 0.00 N ATOM 1173 CZ ARG A 107 -116.133-107.109 13.490 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -116.992-106.050 13.558 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -115.678-107.688 14.640 1.00 0.00 N ATOM 0 H ARG A 107 -116.106-106.990 5.725 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.924-107.561 7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.766-106.121 8.556 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.877-107.431 8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -115.879-108.865 9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -114.445-107.867 9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -115.910-105.987 10.894 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -117.265-107.098 10.889 1.00 0.00 H new ATOM 0 HE ARG A 107 -115.075-108.392 12.273 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -117.336-105.617 12.701 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -117.289-105.692 14.466 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -115.038-108.481 14.593 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -115.978-107.327 15.546 1.00 0.00 H new ATOM 1189 N VAL A 108 -114.395-110.021 7.386 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.426-111.392 6.950 1.00 0.00 C ATOM 1191 C VAL A 108 -114.146-112.277 8.130 1.00 0.00 C ATOM 1192 O VAL A 108 -113.359-111.961 9.033 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.411-111.589 5.823 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -112.028-111.040 6.226 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.322-113.047 5.323 1.00 0.00 C ATOM 0 H VAL A 108 -113.724-109.833 8.131 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.407-111.656 6.554 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.777-111.011 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -111.324-111.192 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -112.108-109.975 6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -111.673-111.565 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.583-113.113 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.025-113.697 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -114.295-113.362 4.945 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.804-113.457 8.091 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.626-114.523 9.025 1.00 0.00 C ATOM 1207 C ILE A 109 -114.186-115.722 8.183 1.00 0.00 C ATOM 1208 O ILE A 109 -114.996-116.316 7.453 1.00 0.00 O ATOM 1209 CB ILE A 109 -115.875-114.665 9.917 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -115.697-115.671 11.072 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -117.174-114.927 9.130 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -116.711-115.479 12.212 1.00 0.00 C ATOM 0 H ILE A 109 -115.493-113.673 7.370 1.00 0.00 H new ATOM 0 HA ILE A 109 -113.850-114.368 9.775 1.00 0.00 H new ATOM 0 HB ILE A 109 -115.987-113.682 10.375 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -115.791-116.684 10.679 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -114.688-115.577 11.474 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -118.009-115.015 9.825 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -117.358-114.099 8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -117.075-115.852 8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -116.528-116.220 12.990 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -116.603-114.478 12.631 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -117.722-115.602 11.824 1.00 0.00 H new ATOM 1224 N TYR A 110 -112.858-116.095 8.313 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.198-117.246 7.676 1.00 0.00 C ATOM 1226 C TYR A 110 -112.208-118.429 8.642 1.00 0.00 C ATOM 1227 O TYR A 110 -111.280-118.605 9.430 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.697-117.095 7.254 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.229-115.722 7.467 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -109.703-115.301 8.671 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -110.373-114.847 6.433 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.369-113.976 8.840 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -110.003-113.549 6.586 1.00 0.00 C ATOM 1234 CZ TYR A 110 -109.535-113.097 7.795 1.00 0.00 C ATOM 1235 OH TYR A 110 -109.295-111.724 7.953 1.00 0.00 O ATOM 0 H TYR A 110 -112.213-115.561 8.896 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.777-117.366 6.760 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.082-117.787 7.830 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.581-117.364 6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -109.554-116.006 9.475 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -110.781-115.185 5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -108.980-113.629 9.786 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -110.077-112.868 5.751 1.00 0.00 H new ATOM 0 HH TYR A 110 -108.978-111.348 7.105 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.286-119.254 8.604 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.510-120.462 9.404 1.00 0.00 C ATOM 1247 C ARG A 111 -113.586-120.251 10.931 1.00 0.00 C ATOM 1248 O ARG A 111 -113.050-121.016 11.729 1.00 0.00 O ATOM 1249 CB ARG A 111 -112.534-121.598 8.968 1.00 0.00 C ATOM 1250 CG ARG A 111 -113.102-123.025 9.083 1.00 0.00 C ATOM 1251 CD ARG A 111 -112.140-124.071 8.499 1.00 0.00 C ATOM 1252 NE ARG A 111 -112.814-125.417 8.517 1.00 0.00 N ATOM 1253 CZ ARG A 111 -112.325-126.510 7.850 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -111.171-126.431 7.125 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -113.004-127.692 7.909 1.00 0.00 N ATOM 0 H ARG A 111 -114.064-119.072 7.970 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.525-120.786 9.175 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -112.237-121.424 7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -111.631-121.533 9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -113.297-123.255 10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -114.058-123.079 8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -111.864-123.801 7.480 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -111.219-124.103 9.081 1.00 0.00 H new ATOM 0 HE ARG A 111 -113.677-125.521 9.052 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -110.660-125.550 7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -110.820-127.253 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -113.868-127.757 8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -112.647-128.510 7.416 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.281-119.154 11.348 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.463-118.725 12.738 1.00 0.00 C ATOM 1271 C GLY A 112 -113.470-117.729 13.304 1.00 0.00 C ATOM 1272 O GLY A 112 -113.501-117.468 14.502 1.00 0.00 O ATOM 0 H GLY A 112 -114.742-118.529 10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.460-118.293 12.828 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -114.443-119.614 13.369 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.578-117.111 12.484 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.613-116.100 12.920 1.00 0.00 C ATOM 1278 C LYS A 113 -111.975-114.797 12.214 1.00 0.00 C ATOM 1279 O LYS A 113 -112.037-114.771 10.986 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.158-116.539 12.594 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.717-117.849 13.272 1.00 0.00 C ATOM 1282 CD LYS A 113 -109.705-117.782 14.808 1.00 0.00 C ATOM 1283 CE LYS A 113 -109.175-119.073 15.448 1.00 0.00 C ATOM 1284 NZ LYS A 113 -109.178-118.975 16.926 1.00 0.00 N ATOM 0 H LYS A 113 -112.519-117.315 11.486 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.657-115.968 14.001 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.060-116.653 11.514 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -109.476-115.743 12.893 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -110.384-118.652 12.958 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -108.718-118.110 12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -109.088-116.942 15.127 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -110.716-117.590 15.168 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -109.790-119.917 15.135 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -108.162-119.268 15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -108.815-119.860 17.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -108.572-118.184 17.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -110.149-118.812 17.261 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.269-113.698 12.969 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.784-112.427 12.441 1.00 0.00 C ATOM 1300 C ILE A 114 -111.814-111.237 12.548 1.00 0.00 C ATOM 1301 O ILE A 114 -111.394-110.828 13.632 1.00 0.00 O ATOM 1302 CB ILE A 114 -114.170-112.149 13.040 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -114.922-111.008 12.311 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -114.134-111.968 14.579 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -116.437-111.043 12.553 1.00 0.00 C ATOM 0 H ILE A 114 -112.147-113.685 13.982 1.00 0.00 H new ATOM 0 HA ILE A 114 -112.887-112.545 11.362 1.00 0.00 H new ATOM 0 HB ILE A 114 -114.759-113.049 12.863 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -114.528-110.048 12.645 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -114.728-111.077 11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -115.142-111.774 14.946 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -113.747-112.875 15.043 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -113.488-111.127 14.831 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -116.910-110.220 12.017 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -116.841-111.990 12.194 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -116.637-110.944 13.620 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.420-110.668 11.362 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.538-109.494 11.215 1.00 0.00 C ATOM 1319 C VAL A 115 -111.169-108.512 10.199 1.00 0.00 C ATOM 1320 O VAL A 115 -112.033-108.898 9.406 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.083-109.871 10.857 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.096-108.686 10.995 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -108.563-111.029 11.741 1.00 0.00 C ATOM 0 H VAL A 115 -111.726-111.038 10.462 1.00 0.00 H new ATOM 0 HA VAL A 115 -110.460-108.997 12.182 1.00 0.00 H new ATOM 0 HB VAL A 115 -109.120-110.177 9.811 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.092-109.016 10.729 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.401-107.879 10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -108.100-108.327 12.024 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -107.537-111.268 11.461 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -108.593-110.729 12.788 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.192-111.908 11.597 1.00 0.00 H new ATOM 1333 N THR A 116 -110.733-107.217 10.178 1.00 0.00 N ATOM 1334 CA THR A 116 -111.162-106.176 9.239 1.00 0.00 C ATOM 1335 C THR A 116 -109.924-105.715 8.454 1.00 0.00 C ATOM 1336 O THR A 116 -108.832-105.575 9.011 1.00 0.00 O ATOM 1337 CB THR A 116 -111.951-105.048 9.927 1.00 0.00 C ATOM 1338 OG1 THR A 116 -112.343-103.996 9.045 1.00 0.00 O ATOM 1339 CG2 THR A 116 -111.187-104.439 11.120 1.00 0.00 C ATOM 0 H THR A 116 -110.046-106.873 10.849 1.00 0.00 H new ATOM 0 HA THR A 116 -111.885-106.575 8.527 1.00 0.00 H new ATOM 0 HB THR A 116 -112.855-105.540 10.286 1.00 0.00 H new ATOM 0 HG1 THR A 116 -112.840-103.317 9.547 1.00 0.00 H new ATOM 0 HG21 THR A 116 -111.787-103.648 11.570 1.00 0.00 H new ATOM 0 HG22 THR A 116 -110.993-105.214 11.861 1.00 0.00 H new ATOM 0 HG23 THR A 116 -110.241-104.024 10.773 1.00 0.00 H new ATOM 1347 N PHE A 117 -110.094-105.518 7.117 1.00 0.00 N ATOM 1348 CA PHE A 117 -109.022-105.202 6.179 1.00 0.00 C ATOM 1349 C PHE A 117 -109.461-104.401 4.947 1.00 0.00 C ATOM 1350 O PHE A 117 -110.595-104.501 4.472 1.00 0.00 O ATOM 1351 CB PHE A 117 -108.250-106.493 5.726 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.990-107.579 4.946 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -110.369-107.729 4.826 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -108.194-108.514 4.308 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.900-108.803 4.144 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.718-109.598 3.640 1.00 0.00 C ATOM 1357 CZ PHE A 117 -110.081-109.754 3.573 1.00 0.00 C ATOM 0 H PHE A 117 -111.008-105.580 6.669 1.00 0.00 H new ATOM 0 HA PHE A 117 -108.355-104.552 6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -107.406-106.171 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.838-106.958 6.622 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -111.028-106.998 5.271 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -107.122-108.389 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.972-108.901 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -108.063-110.319 3.173 1.00 0.00 H new ATOM 0 HZ PHE A 117 -110.507-110.614 3.078 1.00 0.00 H new ATOM 1367 N ILE A 118 -108.511-103.606 4.381 1.00 0.00 N ATOM 1368 CA ILE A 118 -108.691-102.826 3.157 1.00 0.00 C ATOM 1369 C ILE A 118 -107.580-103.213 2.181 1.00 0.00 C ATOM 1370 O ILE A 118 -106.443-103.443 2.587 1.00 0.00 O ATOM 1371 CB ILE A 118 -108.777-101.322 3.466 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -109.277-100.437 2.286 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -107.503-100.785 4.153 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -108.215 -99.877 1.333 1.00 0.00 C ATOM 0 H ILE A 118 -107.581-103.498 4.786 1.00 0.00 H new ATOM 0 HA ILE A 118 -109.643-103.056 2.678 1.00 0.00 H new ATOM 0 HB ILE A 118 -109.578-101.233 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -109.983-101.024 1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -109.832 -99.597 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -107.617 -99.719 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -107.348-101.312 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -106.644-100.945 3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -108.699 -99.280 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -107.519 -99.251 1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -107.672-100.700 0.869 1.00 0.00 H new ATOM 1386 N GLY A 119 -107.870-103.303 0.853 1.00 0.00 N ATOM 1387 CA GLY A 119 -106.891-103.646 -0.177 1.00 0.00 C ATOM 1388 C GLY A 119 -107.635-103.712 -1.481 1.00 0.00 C ATOM 1389 O GLY A 119 -108.797-103.307 -1.501 1.00 0.00 O ATOM 0 H GLY A 119 -108.804-103.135 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -106.099-102.898 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.415-104.601 0.045 1.00 0.00 H new ATOM 1393 N ASP A 120 -106.999-104.240 -2.573 1.00 0.00 N ATOM 1394 CA ASP A 120 -107.613-104.413 -3.893 1.00 0.00 C ATOM 1395 C ASP A 120 -106.940-105.618 -4.585 1.00 0.00 C ATOM 1396 O ASP A 120 -105.714-105.615 -4.628 1.00 0.00 O ATOM 1397 CB ASP A 120 -107.565-103.129 -4.791 1.00 0.00 C ATOM 1398 CG ASP A 120 -106.166-102.520 -4.992 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -105.603-101.970 -4.009 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -105.654-102.590 -6.141 1.00 0.00 O ATOM 0 H ASP A 120 -106.030-104.557 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 120 -108.677-104.601 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -107.981-103.373 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -108.213-102.372 -4.349 1.00 0.00 H new ATOM 1405 N PRO A 121 -107.606-106.676 -5.114 1.00 0.00 N ATOM 1406 CA PRO A 121 -106.982-107.868 -5.730 1.00 0.00 C ATOM 1407 C PRO A 121 -106.683-107.670 -7.241 1.00 0.00 C ATOM 1408 O PRO A 121 -107.291-106.837 -7.909 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.105-108.906 -5.529 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.396-108.114 -5.749 1.00 0.00 C ATOM 1411 CD PRO A 121 -109.069-106.765 -5.109 1.00 0.00 C ATOM 0 HA PRO A 121 -106.016-108.131 -5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.018-109.729 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.070-109.341 -4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -109.635-108.014 -6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.252-108.592 -5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -109.514-105.945 -5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -109.463-106.706 -4.094 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.735-108.472 -7.797 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.273-108.490 -9.184 1.00 0.00 C ATOM 1421 C VAL A 122 -105.950-109.649 -9.929 1.00 0.00 C ATOM 1422 O VAL A 122 -106.067-110.758 -9.398 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.740-108.600 -9.250 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -103.222-108.264 -10.671 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.114-107.623 -8.225 1.00 0.00 C ATOM 0 H VAL A 122 -105.247-109.168 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 122 -105.549-107.553 -9.668 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.453-109.625 -9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -102.136-108.349 -10.692 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.654-108.960 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -103.511-107.246 -10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.027-107.697 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.418-106.603 -8.462 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.456-107.879 -7.222 1.00 0.00 H new ATOM 1435 N ASP A 123 -106.442-109.408 -11.176 1.00 0.00 N ATOM 1436 CA ASP A 123 -107.156-110.392 -11.993 1.00 0.00 C ATOM 1437 C ASP A 123 -106.327-111.046 -13.101 1.00 0.00 C ATOM 1438 O ASP A 123 -105.740-110.385 -13.959 1.00 0.00 O ATOM 1439 CB ASP A 123 -108.517-109.851 -12.550 1.00 0.00 C ATOM 1440 CG ASP A 123 -108.397-108.576 -13.401 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -108.079-107.500 -12.828 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -108.634-108.668 -14.634 1.00 0.00 O ATOM 0 H ASP A 123 -106.344-108.503 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 123 -107.374-111.192 -11.285 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -108.985-110.631 -13.151 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -109.184-109.651 -11.712 1.00 0.00 H new ATOM 1520 N GLU A 129 -109.420-118.495 -13.862 1.00 0.00 N ATOM 1521 CA GLU A 129 -110.503-117.709 -13.273 1.00 0.00 C ATOM 1522 C GLU A 129 -110.196-117.326 -11.834 1.00 0.00 C ATOM 1523 O GLU A 129 -110.919-117.672 -10.907 1.00 0.00 O ATOM 1524 CB GLU A 129 -111.921-118.313 -13.470 1.00 0.00 C ATOM 1525 CG GLU A 129 -112.312-118.415 -14.957 1.00 0.00 C ATOM 1526 CD GLU A 129 -113.735-118.957 -15.083 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -114.674-118.268 -14.600 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -113.902-120.061 -15.666 1.00 0.00 O ATOM 0 HA GLU A 129 -110.544-116.782 -13.846 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -111.957-119.304 -13.018 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -112.652-117.697 -12.946 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -112.244-117.435 -15.428 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -111.616-119.070 -15.481 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.079-116.598 -11.600 1.00 0.00 N ATOM 1536 CA ILE A 130 -108.620-116.263 -10.261 1.00 0.00 C ATOM 1537 C ILE A 130 -108.383-114.778 -10.063 1.00 0.00 C ATOM 1538 O ILE A 130 -107.758-114.070 -10.861 1.00 0.00 O ATOM 1539 CB ILE A 130 -107.406-117.117 -9.873 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -107.014-116.988 -8.378 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -106.212-116.862 -10.818 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -106.069-118.094 -7.905 1.00 0.00 C ATOM 0 H ILE A 130 -108.482-116.234 -12.343 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.429-116.509 -9.573 1.00 0.00 H new ATOM 0 HB ILE A 130 -107.709-118.156 -10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -106.540-116.020 -8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -107.918-117.006 -7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -105.369-117.483 -10.515 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -106.497-117.111 -11.840 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -105.926-115.812 -10.767 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -105.834-117.946 -6.851 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -106.549-119.064 -8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -105.150-118.062 -8.490 1.00 0.00 H new ATOM 1554 N THR A 131 -108.893-114.306 -8.896 1.00 0.00 N ATOM 1555 CA THR A 131 -108.764-112.982 -8.316 1.00 0.00 C ATOM 1556 C THR A 131 -107.926-113.187 -7.047 1.00 0.00 C ATOM 1557 O THR A 131 -108.313-113.917 -6.124 1.00 0.00 O ATOM 1558 CB THR A 131 -110.145-112.390 -8.062 1.00 0.00 C ATOM 1559 OG1 THR A 131 -111.082-113.408 -7.713 1.00 0.00 O ATOM 1560 CG2 THR A 131 -110.633-111.778 -9.394 1.00 0.00 C ATOM 0 H THR A 131 -109.453-114.913 -8.298 1.00 0.00 H new ATOM 0 HA THR A 131 -108.271-112.261 -8.968 1.00 0.00 H new ATOM 0 HB THR A 131 -110.077-111.662 -7.253 1.00 0.00 H new ATOM 0 HG1 THR A 131 -110.675-114.018 -7.062 1.00 0.00 H new ATOM 0 HG21 THR A 131 -111.622-111.342 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 131 -109.937-111.003 -9.715 1.00 0.00 H new ATOM 0 HG23 THR A 131 -110.684-112.557 -10.155 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.703-112.593 -7.060 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.667-112.755 -6.049 1.00 0.00 C ATOM 1570 C ARG A 132 -105.149-111.449 -5.452 1.00 0.00 C ATOM 1571 O ARG A 132 -104.879-110.497 -6.183 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.498-113.573 -6.660 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.526-114.209 -5.646 1.00 0.00 C ATOM 1574 CD ARG A 132 -102.332-114.920 -6.304 1.00 0.00 C ATOM 1575 NE ARG A 132 -102.827-115.986 -7.244 1.00 0.00 N ATOM 1576 CZ ARG A 132 -101.991-116.699 -8.062 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -100.641-116.505 -8.021 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -102.514-117.613 -8.930 1.00 0.00 N ATOM 0 H ARG A 132 -106.418-111.967 -7.813 1.00 0.00 H new ATOM 0 HA ARG A 132 -106.125-113.283 -5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -104.918-114.366 -7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.928-112.920 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -103.153-113.434 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -104.072-114.925 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -101.722-114.198 -6.847 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -101.695-115.364 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 132 -103.827-116.186 -7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -100.243-115.822 -7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -100.030-117.043 -8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -103.522-117.762 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -101.897-118.147 -9.542 1.00 0.00 H new ATOM 1592 N ILE A 133 -104.929-111.397 -4.105 1.00 0.00 N ATOM 1593 CA ILE A 133 -104.162-110.341 -3.422 1.00 0.00 C ATOM 1594 C ILE A 133 -103.135-111.139 -2.589 1.00 0.00 C ATOM 1595 O ILE A 133 -103.541-112.040 -1.852 1.00 0.00 O ATOM 1596 CB ILE A 133 -104.920-109.301 -2.546 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -104.352-107.869 -2.782 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -104.997-109.582 -1.012 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -102.935-107.597 -2.258 1.00 0.00 C ATOM 0 H ILE A 133 -105.290-112.104 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 133 -103.756-109.670 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 133 -105.950-109.392 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -104.363-107.670 -3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -105.030-107.153 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -105.551-108.781 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -105.504-110.531 -0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -103.989-109.630 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -102.655-106.568 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -102.910-107.752 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -102.232-108.278 -2.739 1.00 0.00 H new