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 92 TYR OH : rot 30:sc= 1.15 USER MOD Set 1.2: A 110 TYR OH : rot -54:sc= 1.18 USER MOD Set 2.1: A 71 HIS : no HE2:sc= -0.319 K(o=0.44,f=-0.2) USER MOD Set 2.2: A 73 GLN : amide:sc= 0.759 K(o=0.44,f=-0.38) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 47 SER OG : rot -136:sc= 0.0199 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 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 2:sc= 0.184 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 146:sc= -0.0493 (180deg=-0.948) USER MOD Single : A 106 MET CE :methyl 169:sc= -0.443 (180deg=-0.503) USER MOD Single : A 113 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0472) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 87:sc= 0.0558 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -113.195-124.888 2.284 1.00 0.00 N ATOM 114 CA ASP A 41 -114.064-124.166 3.213 1.00 0.00 C ATOM 115 C ASP A 41 -114.882-123.083 2.510 1.00 0.00 C ATOM 116 O ASP A 41 -114.415-122.388 1.593 1.00 0.00 O ATOM 117 CB ASP A 41 -113.262-123.586 4.418 1.00 0.00 C ATOM 118 CG ASP A 41 -114.118-123.509 5.690 1.00 0.00 C ATOM 119 OD1 ASP A 41 -114.502-124.594 6.203 1.00 0.00 O ATOM 120 OD2 ASP A 41 -114.399-122.377 6.161 1.00 0.00 O ATOM 0 HA ASP A 41 -114.773-124.892 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -112.387-124.209 4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.896-122.591 4.166 1.00 0.00 H new ATOM 125 N VAL A 42 -116.153-122.920 2.994 1.00 0.00 N ATOM 126 CA VAL A 42 -117.124-121.909 2.563 1.00 0.00 C ATOM 127 C VAL A 42 -117.024-120.788 3.586 1.00 0.00 C ATOM 128 O VAL A 42 -117.258-120.972 4.777 1.00 0.00 O ATOM 129 CB VAL A 42 -118.548-122.467 2.444 1.00 0.00 C ATOM 130 CG1 VAL A 42 -119.560-121.372 2.019 1.00 0.00 C ATOM 131 CG2 VAL A 42 -118.518-123.599 1.395 1.00 0.00 C ATOM 0 H VAL A 42 -116.526-123.525 3.726 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.898-121.552 1.558 1.00 0.00 H new ATOM 0 HB VAL A 42 -118.875-122.840 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -120.557-121.807 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -119.566-120.574 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -119.270-120.964 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -119.518-124.020 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -118.185-123.199 0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -117.830-124.379 1.721 1.00 0.00 H new ATOM 141 N ILE A 43 -116.595-119.590 3.134 1.00 0.00 N ATOM 142 CA ILE A 43 -116.231-118.427 3.929 1.00 0.00 C ATOM 143 C ILE A 43 -117.354-117.396 3.931 1.00 0.00 C ATOM 144 O ILE A 43 -118.130-117.316 2.976 1.00 0.00 O ATOM 145 CB ILE A 43 -114.930-117.848 3.345 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.804-118.908 3.190 1.00 0.00 C ATOM 147 CG2 ILE A 43 -114.407-116.651 4.159 1.00 0.00 C ATOM 148 CD1 ILE A 43 -113.461-119.742 4.428 1.00 0.00 C ATOM 0 H ILE A 43 -116.491-119.412 2.135 1.00 0.00 H new ATOM 0 HA ILE A 43 -116.072-118.712 4.969 1.00 0.00 H new ATOM 0 HB ILE A 43 -115.200-117.502 2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -114.089-119.591 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -112.899-118.396 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.488-116.278 3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -115.156-115.859 4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -114.206-116.967 5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.661-120.442 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -113.134-119.082 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -114.343-120.296 4.749 1.00 0.00 H new ATOM 160 N THR A 44 -117.458-116.547 5.007 1.00 0.00 N ATOM 161 CA THR A 44 -118.493-115.501 5.073 1.00 0.00 C ATOM 162 C THR A 44 -117.819-114.146 5.021 1.00 0.00 C ATOM 163 O THR A 44 -117.062-113.789 5.930 1.00 0.00 O ATOM 164 CB THR A 44 -119.402-115.620 6.301 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.980-116.919 6.329 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.570-114.614 6.275 1.00 0.00 C ATOM 0 H THR A 44 -116.841-116.579 5.818 1.00 0.00 H new ATOM 0 HA THR A 44 -119.152-115.628 4.214 1.00 0.00 H new ATOM 0 HB THR A 44 -118.779-115.420 7.173 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.561-117.002 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.181-114.743 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.175-113.598 6.249 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.181-114.788 5.389 1.00 0.00 H new ATOM 174 N PHE A 45 -118.074-113.365 3.930 1.00 0.00 N ATOM 175 CA PHE A 45 -117.519-112.021 3.743 1.00 0.00 C ATOM 176 C PHE A 45 -118.601-110.968 3.979 1.00 0.00 C ATOM 177 O PHE A 45 -119.654-111.007 3.332 1.00 0.00 O ATOM 178 CB PHE A 45 -116.977-111.865 2.301 1.00 0.00 C ATOM 179 CG PHE A 45 -115.805-112.788 2.100 1.00 0.00 C ATOM 180 CD1 PHE A 45 -114.545-112.380 2.480 1.00 0.00 C ATOM 181 CD2 PHE A 45 -115.943-114.030 1.497 1.00 0.00 C ATOM 182 CE1 PHE A 45 -113.453-113.192 2.258 1.00 0.00 C ATOM 183 CE2 PHE A 45 -114.852-114.841 1.262 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.600-114.428 1.658 1.00 0.00 C ATOM 0 H PHE A 45 -118.674-113.666 3.162 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.708-111.881 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.762-112.095 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.674-110.833 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -114.412-111.419 2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -116.926-114.369 1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -112.470-112.858 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -114.979-115.794 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 45 -112.741-115.064 1.501 1.00 0.00 H new ATOM 194 N GLN A 46 -118.353-110.015 4.926 1.00 0.00 N ATOM 195 CA GLN A 46 -119.276-108.975 5.356 1.00 0.00 C ATOM 196 C GLN A 46 -118.569-107.622 5.347 1.00 0.00 C ATOM 197 O GLN A 46 -117.371-107.523 5.619 1.00 0.00 O ATOM 198 CB GLN A 46 -119.851-109.304 6.769 1.00 0.00 C ATOM 199 CG GLN A 46 -120.640-110.651 6.802 1.00 0.00 C ATOM 200 CD GLN A 46 -121.747-110.761 7.865 1.00 0.00 C ATOM 201 OE1 GLN A 46 -121.872-111.746 8.598 1.00 0.00 O ATOM 202 NE2 GLN A 46 -122.608-109.717 7.910 1.00 0.00 N ATOM 0 H GLN A 46 -117.461-109.968 5.418 1.00 0.00 H new ATOM 0 HA GLN A 46 -120.114-108.930 4.661 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -119.033-109.350 7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -120.509-108.495 7.086 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -121.089-110.810 5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -119.929-111.461 6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -122.474-108.919 7.289 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -123.390-109.729 8.565 1.00 0.00 H new ATOM 211 N SER A 47 -119.305-106.521 5.027 1.00 0.00 N ATOM 212 CA SER A 47 -118.804-105.146 4.942 1.00 0.00 C ATOM 213 C SER A 47 -119.476-104.225 5.965 1.00 0.00 C ATOM 214 O SER A 47 -120.494-104.557 6.582 1.00 0.00 O ATOM 215 CB SER A 47 -118.991-104.548 3.502 1.00 0.00 C ATOM 216 OG SER A 47 -120.362-104.374 3.119 1.00 0.00 O ATOM 0 H SER A 47 -120.301-106.585 4.815 1.00 0.00 H new ATOM 0 HA SER A 47 -117.739-105.198 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 47 -118.484-103.584 3.451 1.00 0.00 H new ATOM 0 HB3 SER A 47 -118.503-105.203 2.781 1.00 0.00 H new ATOM 0 HG SER A 47 -120.485-104.678 2.196 1.00 0.00 H new ATOM 222 N TYR A 48 -118.906-103.001 6.115 1.00 0.00 N ATOM 223 CA TYR A 48 -119.412-101.901 6.921 1.00 0.00 C ATOM 224 C TYR A 48 -119.655-100.775 5.918 1.00 0.00 C ATOM 225 O TYR A 48 -118.749-100.392 5.175 1.00 0.00 O ATOM 226 CB TYR A 48 -118.352-101.503 7.994 1.00 0.00 C ATOM 227 CG TYR A 48 -118.803-100.558 9.084 1.00 0.00 C ATOM 228 CD1 TYR A 48 -120.070-100.598 9.643 1.00 0.00 C ATOM 229 CD2 TYR A 48 -117.881 -99.669 9.610 1.00 0.00 C ATOM 230 CE1 TYR A 48 -120.401 -99.771 10.699 1.00 0.00 C ATOM 231 CE2 TYR A 48 -118.207 -98.839 10.663 1.00 0.00 C ATOM 232 CZ TYR A 48 -119.468 -98.895 11.214 1.00 0.00 C ATOM 233 OH TYR A 48 -119.810 -98.076 12.311 1.00 0.00 O ATOM 0 H TYR A 48 -118.034-102.760 5.644 1.00 0.00 H new ATOM 0 HA TYR A 48 -120.321-102.148 7.469 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.988-102.416 8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.504-101.049 7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -120.807-101.283 9.249 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.888 -99.624 9.188 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -121.394 -99.810 11.123 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -117.475 -98.147 11.054 1.00 0.00 H new ATOM 0 HH TYR A 48 -119.042 -97.517 12.554 1.00 0.00 H new ATOM 431 N TRP A 62 -124.001-102.714 9.299 1.00 0.00 N ATOM 432 CA TRP A 62 -123.294-103.963 9.118 1.00 0.00 C ATOM 433 C TRP A 62 -124.196-104.893 8.290 1.00 0.00 C ATOM 434 O TRP A 62 -125.342-105.175 8.645 1.00 0.00 O ATOM 435 CB TRP A 62 -122.966-104.572 10.515 1.00 0.00 C ATOM 436 CG TRP A 62 -121.821-103.872 11.242 1.00 0.00 C ATOM 437 CD1 TRP A 62 -121.788-103.073 12.353 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.458-104.018 10.824 1.00 0.00 C ATOM 439 NE1 TRP A 62 -120.493-102.717 12.641 1.00 0.00 N ATOM 440 CE2 TRP A 62 -119.676-103.292 11.713 1.00 0.00 C ATOM 441 CE3 TRP A 62 -119.909-104.702 9.784 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.334-103.235 11.582 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -118.535-104.659 9.654 1.00 0.00 C ATOM 444 CH2 TRP A 62 -117.755-103.934 10.545 1.00 0.00 C ATOM 0 HA TRP A 62 -122.351-103.819 8.591 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -123.859-104.529 11.138 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -122.715-105.625 10.391 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -122.654-102.767 12.921 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -120.194-102.125 13.416 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -120.523-105.256 9.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -117.732-102.659 12.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.060-105.197 8.847 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -116.682-103.918 10.424 1.00 0.00 H new ATOM 455 N VAL A 63 -123.670-105.350 7.124 1.00 0.00 N ATOM 456 CA VAL A 63 -124.388-106.133 6.124 1.00 0.00 C ATOM 457 C VAL A 63 -123.469-107.232 5.603 1.00 0.00 C ATOM 458 O VAL A 63 -122.264-107.209 5.858 1.00 0.00 O ATOM 459 CB VAL A 63 -124.879-105.173 5.022 1.00 0.00 C ATOM 460 CG1 VAL A 63 -123.731-104.532 4.208 1.00 0.00 C ATOM 461 CG2 VAL A 63 -125.941-105.807 4.103 1.00 0.00 C ATOM 0 H VAL A 63 -122.701-105.169 6.860 1.00 0.00 H new ATOM 0 HA VAL A 63 -125.264-106.628 6.543 1.00 0.00 H new ATOM 0 HB VAL A 63 -125.367-104.359 5.558 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -124.148-103.869 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -123.087-103.960 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -123.148-105.315 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -126.248-105.083 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -125.521-106.686 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -126.807-106.101 4.696 1.00 0.00 H new ATOM 471 N ASP A 64 -123.997-108.232 4.839 1.00 0.00 N ATOM 472 CA ASP A 64 -123.242-109.307 4.182 1.00 0.00 C ATOM 473 C ASP A 64 -122.837-108.831 2.787 1.00 0.00 C ATOM 474 O ASP A 64 -123.577-108.078 2.164 1.00 0.00 O ATOM 475 CB ASP A 64 -124.103-110.615 4.111 1.00 0.00 C ATOM 476 CG ASP A 64 -123.354-111.853 3.584 1.00 0.00 C ATOM 477 OD1 ASP A 64 -122.386-112.297 4.256 1.00 0.00 O ATOM 478 OD2 ASP A 64 -123.749-112.365 2.503 1.00 0.00 O ATOM 0 H ASP A 64 -125.000-108.301 4.666 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.345-109.542 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.485-110.836 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -124.966-110.431 3.472 1.00 0.00 H new ATOM 483 N GLU A 65 -121.650-109.242 2.263 1.00 0.00 N ATOM 484 CA GLU A 65 -121.159-108.877 0.937 1.00 0.00 C ATOM 485 C GLU A 65 -121.489-110.001 -0.026 1.00 0.00 C ATOM 486 O GLU A 65 -122.151-109.806 -1.043 1.00 0.00 O ATOM 487 CB GLU A 65 -119.625-108.581 0.948 1.00 0.00 C ATOM 488 CG GLU A 65 -119.080-107.872 -0.313 1.00 0.00 C ATOM 489 CD GLU A 65 -119.695-106.485 -0.488 1.00 0.00 C ATOM 490 OE1 GLU A 65 -119.404-105.594 0.351 1.00 0.00 O ATOM 491 OE2 GLU A 65 -120.460-106.297 -1.472 1.00 0.00 O ATOM 0 H GLU A 65 -121.007-109.848 2.773 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.650-107.958 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.397-107.965 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.091-109.523 1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -117.996-107.784 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.293-108.479 -1.193 1.00 0.00 H new ATOM 498 N PHE A 66 -121.009-111.218 0.316 1.00 0.00 N ATOM 499 CA PHE A 66 -121.219-112.437 -0.440 1.00 0.00 C ATOM 500 C PHE A 66 -120.839-113.571 0.502 1.00 0.00 C ATOM 501 O PHE A 66 -120.304-113.350 1.591 1.00 0.00 O ATOM 502 CB PHE A 66 -120.459-112.503 -1.829 1.00 0.00 C ATOM 503 CG PHE A 66 -118.946-112.489 -1.721 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.288-111.354 -1.310 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.200-113.631 -1.928 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.957-111.373 -0.969 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.851-113.649 -1.636 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.225-112.526 -1.129 1.00 0.00 C ATOM 0 H PHE A 66 -120.449-111.365 1.156 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.261-112.502 -0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.765-113.409 -2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.774-111.658 -2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.832-110.423 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.675-114.518 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.487-110.484 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.279-114.549 -1.805 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.179-112.554 -0.863 1.00 0.00 H new ATOM 518 N THR A 67 -121.069-114.829 0.071 1.00 0.00 N ATOM 519 CA THR A 67 -120.658-116.032 0.791 1.00 0.00 C ATOM 520 C THR A 67 -120.048-116.880 -0.309 1.00 0.00 C ATOM 521 O THR A 67 -120.638-117.014 -1.381 1.00 0.00 O ATOM 522 CB THR A 67 -121.812-116.771 1.507 1.00 0.00 C ATOM 523 OG1 THR A 67 -123.031-116.785 0.763 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.103-116.069 2.844 1.00 0.00 C ATOM 0 H THR A 67 -121.555-115.030 -0.803 1.00 0.00 H new ATOM 0 HA THR A 67 -119.978-115.800 1.611 1.00 0.00 H new ATOM 0 HB THR A 67 -121.482-117.802 1.635 1.00 0.00 H new ATOM 0 HG1 THR A 67 -123.718-117.268 1.269 1.00 0.00 H new ATOM 0 HG21 THR A 67 -122.916-116.584 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 67 -121.210-116.091 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.390-115.034 2.657 1.00 0.00 H new ATOM 532 N ALA A 68 -118.846-117.458 -0.102 1.00 0.00 N ATOM 533 CA ALA A 68 -118.219-118.220 -1.200 1.00 0.00 C ATOM 534 C ALA A 68 -117.185-119.259 -0.802 1.00 0.00 C ATOM 535 O ALA A 68 -116.626-119.246 0.291 1.00 0.00 O ATOM 536 CB ALA A 68 -117.592-117.286 -2.268 1.00 0.00 C ATOM 0 H ALA A 68 -118.314-117.417 0.767 1.00 0.00 H new ATOM 0 HA ALA A 68 -119.064-118.776 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -117.142-117.887 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -118.367-116.649 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.826-116.665 -1.804 1.00 0.00 H new ATOM 542 N ALA A 69 -116.840-120.189 -1.741 1.00 0.00 N ATOM 543 CA ALA A 69 -115.771-121.172 -1.585 1.00 0.00 C ATOM 544 C ALA A 69 -114.449-120.486 -1.942 1.00 0.00 C ATOM 545 O ALA A 69 -114.241-119.969 -3.043 1.00 0.00 O ATOM 546 CB ALA A 69 -116.034-122.416 -2.451 1.00 0.00 C ATOM 0 H ALA A 69 -117.319-120.262 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.726-121.528 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -115.223-123.132 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.976-122.875 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -116.089-122.124 -3.500 1.00 0.00 H new ATOM 552 N ALA A 70 -113.565-120.362 -0.925 1.00 0.00 N ATOM 553 CA ALA A 70 -112.457-119.438 -1.061 1.00 0.00 C ATOM 554 C ALA A 70 -111.482-119.707 0.043 1.00 0.00 C ATOM 555 O ALA A 70 -111.914-120.013 1.148 1.00 0.00 O ATOM 556 CB ALA A 70 -113.029-118.011 -0.805 1.00 0.00 C ATOM 0 H ALA A 70 -113.606-120.874 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.985-119.535 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -112.229-117.276 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.807-117.794 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -113.452-117.963 0.198 1.00 0.00 H new ATOM 562 N HIS A 71 -110.151-119.570 -0.164 1.00 0.00 N ATOM 563 CA HIS A 71 -109.211-119.668 0.933 1.00 0.00 C ATOM 564 C HIS A 71 -108.597-118.286 1.182 1.00 0.00 C ATOM 565 O HIS A 71 -107.781-117.810 0.389 1.00 0.00 O ATOM 566 CB HIS A 71 -108.061-120.684 0.705 1.00 0.00 C ATOM 567 CG HIS A 71 -107.406-121.143 1.996 1.00 0.00 C ATOM 568 ND1 HIS A 71 -107.691-120.659 3.264 1.00 0.00 N ATOM 569 CD2 HIS A 71 -106.512-122.150 2.187 1.00 0.00 C ATOM 570 CE1 HIS A 71 -106.968-121.386 4.143 1.00 0.00 C ATOM 571 NE2 HIS A 71 -106.249-122.304 3.536 1.00 0.00 N ATOM 0 H HIS A 71 -109.727-119.394 -1.075 1.00 0.00 H new ATOM 0 HA HIS A 71 -109.780-120.031 1.789 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -108.451-121.552 0.174 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.306-120.231 0.063 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -108.328-119.896 3.491 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -106.071-122.743 1.399 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -106.979-121.232 5.212 1.00 0.00 H new ATOM 579 N VAL A 72 -108.927-117.663 2.363 1.00 0.00 N ATOM 580 CA VAL A 72 -108.335-116.459 2.961 1.00 0.00 C ATOM 581 C VAL A 72 -107.330-117.134 3.909 1.00 0.00 C ATOM 582 O VAL A 72 -107.687-118.060 4.632 1.00 0.00 O ATOM 583 CB VAL A 72 -109.322-115.544 3.753 1.00 0.00 C ATOM 584 CG1 VAL A 72 -108.606-114.607 4.749 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.233-114.578 2.948 1.00 0.00 C ATOM 0 H VAL A 72 -109.673-118.035 2.950 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.941-115.764 2.220 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.936-116.319 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -109.344-113.996 5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -108.052-115.202 5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -107.916-113.960 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -110.860-114.011 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -109.614-113.891 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.865-115.153 2.271 1.00 0.00 H new ATOM 595 N GLN A 73 -106.032-116.755 3.851 1.00 0.00 N ATOM 596 CA GLN A 73 -104.920-117.369 4.582 1.00 0.00 C ATOM 597 C GLN A 73 -104.061-116.274 5.242 1.00 0.00 C ATOM 598 O GLN A 73 -103.662-115.380 4.486 1.00 0.00 O ATOM 599 CB GLN A 73 -103.967-118.119 3.587 1.00 0.00 C ATOM 600 CG GLN A 73 -104.666-118.983 2.500 1.00 0.00 C ATOM 601 CD GLN A 73 -103.706-119.360 1.368 1.00 0.00 C ATOM 602 OE1 GLN A 73 -103.581-120.516 0.968 1.00 0.00 O ATOM 603 NE2 GLN A 73 -103.026-118.325 0.811 1.00 0.00 N ATOM 0 H GLN A 73 -105.727-115.978 3.265 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.345-118.051 5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -103.339-117.380 3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -103.304-118.763 4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -105.063-119.890 2.956 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -105.514-118.435 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -103.155-117.379 1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -102.386-118.494 0.035 1.00 0.00 H new ATOM 612 N PRO A 74 -103.687-116.223 6.552 1.00 0.00 N ATOM 613 CA PRO A 74 -102.799-115.202 7.145 1.00 0.00 C ATOM 614 C PRO A 74 -101.334-115.359 6.708 1.00 0.00 C ATOM 615 O PRO A 74 -100.854-116.489 6.605 1.00 0.00 O ATOM 616 CB PRO A 74 -102.947-115.460 8.660 1.00 0.00 C ATOM 617 CG PRO A 74 -103.224-116.962 8.767 1.00 0.00 C ATOM 618 CD PRO A 74 -104.083-117.238 7.529 1.00 0.00 C ATOM 0 HA PRO A 74 -103.068-114.193 6.834 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -102.041-115.184 9.200 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -103.763-114.875 9.085 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -102.303-117.545 8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -103.750-117.212 9.688 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -103.909-118.243 7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -105.145-117.166 7.763 1.00 0.00 H new ATOM 626 N ILE A 75 -100.606-114.240 6.430 1.00 0.00 N ATOM 627 CA ILE A 75 -99.193-114.115 6.018 1.00 0.00 C ATOM 628 C ILE A 75 -98.734-114.866 4.757 1.00 0.00 C ATOM 629 O ILE A 75 -98.078-114.275 3.905 1.00 0.00 O ATOM 630 CB ILE A 75 -98.164-114.141 7.173 1.00 0.00 C ATOM 631 CG1 ILE A 75 -96.830-113.438 6.782 1.00 0.00 C ATOM 632 CG2 ILE A 75 -97.936-115.559 7.752 1.00 0.00 C ATOM 633 CD1 ILE A 75 -95.850-113.243 7.944 1.00 0.00 C ATOM 0 H ILE A 75 -101.043-113.321 6.498 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.205-113.086 5.659 1.00 0.00 H new ATOM 0 HB ILE A 75 -98.604-113.559 7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -96.340-114.024 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -97.060-112.464 6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -97.204-115.509 8.558 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -98.877-115.949 8.140 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -97.566-116.218 6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -94.950-112.747 7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -96.317-112.630 8.715 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -95.585-114.214 8.363 1.00 0.00 H new ATOM 894 N GLY A 91 -101.486-109.146 7.636 1.00 0.00 N ATOM 895 CA GLY A 91 -101.423-109.300 6.195 1.00 0.00 C ATOM 896 C GLY A 91 -101.953-110.620 5.773 1.00 0.00 C ATOM 897 O GLY A 91 -101.737-111.663 6.396 1.00 0.00 O ATOM 0 HA2 GLY A 91 -101.995-108.505 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.391-109.196 5.860 1.00 0.00 H new ATOM 901 N TYR A 92 -102.674-110.582 4.643 1.00 0.00 N ATOM 902 CA TYR A 92 -103.356-111.707 4.057 1.00 0.00 C ATOM 903 C TYR A 92 -102.955-111.832 2.624 1.00 0.00 C ATOM 904 O TYR A 92 -102.815-110.856 1.882 1.00 0.00 O ATOM 905 CB TYR A 92 -104.908-111.600 4.144 1.00 0.00 C ATOM 906 CG TYR A 92 -105.303-112.017 5.520 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.148-111.229 6.647 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.719-113.310 5.669 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.374-111.754 7.899 1.00 0.00 C ATOM 910 CE2 TYR A 92 -105.949-113.841 6.907 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.778-113.064 8.026 1.00 0.00 C ATOM 912 OH TYR A 92 -105.966-113.611 9.302 1.00 0.00 O ATOM 0 H TYR A 92 -102.792-109.725 4.103 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.064-112.588 4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.235-110.580 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.380-112.239 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -104.848-110.197 6.544 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -105.869-113.923 4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.235-111.141 8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.264-114.869 7.005 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.242-112.905 9.923 1.00 0.00 H new ATOM 922 N ASN A 93 -102.830-113.115 2.221 1.00 0.00 N ATOM 923 CA ASN A 93 -102.538-113.473 0.842 1.00 0.00 C ATOM 924 C ASN A 93 -103.443-114.646 0.584 1.00 0.00 C ATOM 925 O ASN A 93 -103.504-115.619 1.336 1.00 0.00 O ATOM 926 CB ASN A 93 -101.039-113.718 0.546 1.00 0.00 C ATOM 927 CG ASN A 93 -100.380-112.390 0.176 1.00 0.00 C ATOM 928 OD1 ASN A 93 -99.771-111.721 1.015 1.00 0.00 O ATOM 929 ND2 ASN A 93 -100.484-111.997 -1.118 1.00 0.00 N ATOM 0 H ASN A 93 -102.930-113.915 2.846 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.734-112.654 0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -100.549-114.151 1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -100.928-114.433 -0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -100.051-111.125 -1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -100.995-112.574 -1.787 1.00 0.00 H new ATOM 936 N ILE A 94 -104.266-114.481 -0.474 1.00 0.00 N ATOM 937 CA ILE A 94 -105.433-115.294 -0.774 1.00 0.00 C ATOM 938 C ILE A 94 -105.422-115.874 -2.178 1.00 0.00 C ATOM 939 O ILE A 94 -105.000-115.229 -3.146 1.00 0.00 O ATOM 940 CB ILE A 94 -106.636-114.338 -0.654 1.00 0.00 C ATOM 941 CG1 ILE A 94 -106.785-113.750 0.765 1.00 0.00 C ATOM 942 CG2 ILE A 94 -107.991-114.899 -1.114 1.00 0.00 C ATOM 943 CD1 ILE A 94 -106.499-112.249 0.771 1.00 0.00 C ATOM 0 H ILE A 94 -104.117-113.743 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 94 -105.465-116.144 -0.092 1.00 0.00 H new ATOM 0 HB ILE A 94 -106.378-113.550 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -107.794-113.933 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -106.101-114.257 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -108.762-114.140 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -107.931-115.179 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -108.242-115.777 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -106.611-111.861 1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -105.481-112.071 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -107.201-111.742 0.108 1.00 0.00 H new ATOM 955 N TYR A 95 -106.033-117.088 -2.308 1.00 0.00 N ATOM 956 CA TYR A 95 -106.333-117.740 -3.577 1.00 0.00 C ATOM 957 C TYR A 95 -107.874-117.891 -3.552 1.00 0.00 C ATOM 958 O TYR A 95 -108.444-118.553 -2.682 1.00 0.00 O ATOM 959 CB TYR A 95 -105.423-119.016 -3.788 1.00 0.00 C ATOM 960 CG TYR A 95 -106.149-120.329 -3.815 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.931-120.644 -4.910 1.00 0.00 C ATOM 962 CD2 TYR A 95 -106.242-121.085 -2.669 1.00 0.00 C ATOM 963 CE1 TYR A 95 -107.867-121.652 -4.825 1.00 0.00 C ATOM 964 CE2 TYR A 95 -107.155-122.110 -2.597 1.00 0.00 C ATOM 965 CZ TYR A 95 -107.964-122.407 -3.675 1.00 0.00 C ATOM 966 OH TYR A 95 -108.870-123.478 -3.556 1.00 0.00 O ATOM 0 H TYR A 95 -106.330-117.637 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.076-117.190 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -104.879-118.902 -4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.681-119.047 -2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -106.808-120.099 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -105.599-120.873 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -108.524-121.851 -5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -107.240-122.688 -1.689 1.00 0.00 H new ATOM 0 HH TYR A 95 -108.783-123.883 -2.668 1.00 0.00 H new ATOM 976 N THR A 96 -108.628-117.195 -4.446 1.00 0.00 N ATOM 977 CA THR A 96 -110.103-117.270 -4.450 1.00 0.00 C ATOM 978 C THR A 96 -110.610-117.298 -5.907 1.00 0.00 C ATOM 979 O THR A 96 -109.923-116.750 -6.779 1.00 0.00 O ATOM 980 CB THR A 96 -110.675-116.174 -3.518 1.00 0.00 C ATOM 981 OG1 THR A 96 -110.300-116.501 -2.180 1.00 0.00 O ATOM 982 CG2 THR A 96 -112.206-116.018 -3.502 1.00 0.00 C ATOM 0 H THR A 96 -108.237-116.584 -5.163 1.00 0.00 H new ATOM 0 HA THR A 96 -110.480-118.200 -4.024 1.00 0.00 H new ATOM 0 HB THR A 96 -110.269-115.239 -3.905 1.00 0.00 H new ATOM 0 HG1 THR A 96 -109.753-117.314 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 96 -112.483-115.221 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 96 -112.557-115.770 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 96 -112.664-116.953 -3.178 1.00 0.00 H new ATOM 990 N PRO A 97 -111.748-117.939 -6.324 1.00 0.00 N ATOM 991 CA PRO A 97 -112.325-117.836 -7.681 1.00 0.00 C ATOM 992 C PRO A 97 -112.935-116.444 -7.936 1.00 0.00 C ATOM 993 O PRO A 97 -113.620-115.938 -7.048 1.00 0.00 O ATOM 994 CB PRO A 97 -113.396-118.945 -7.692 1.00 0.00 C ATOM 995 CG PRO A 97 -113.855-119.032 -6.232 1.00 0.00 C ATOM 996 CD PRO A 97 -112.522-118.867 -5.500 1.00 0.00 C ATOM 0 HA PRO A 97 -111.583-117.957 -8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -114.223-118.694 -8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -112.985-119.893 -8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.567-118.247 -5.975 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -114.335-119.984 -6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -112.670-118.472 -4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.009-119.823 -5.395 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.625-115.832 -9.117 1.00 0.00 N ATOM 1005 CA TYR A 98 -112.886-114.531 -9.768 1.00 0.00 C ATOM 1006 C TYR A 98 -113.511-113.327 -9.023 1.00 0.00 C ATOM 1007 O TYR A 98 -113.992-112.366 -9.615 1.00 0.00 O ATOM 1008 CB TYR A 98 -113.561-114.782 -11.155 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.211-113.741 -12.198 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -111.898-113.520 -12.591 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -114.209-112.953 -12.745 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -111.599-112.506 -13.480 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -113.906-111.935 -13.627 1.00 0.00 C ATOM 1014 CZ TYR A 98 -112.598-111.707 -13.990 1.00 0.00 C ATOM 1015 OH TYR A 98 -112.267-110.655 -14.872 1.00 0.00 O ATOM 0 H TYR A 98 -112.059-116.379 -9.765 1.00 0.00 H new ATOM 0 HA TYR A 98 -111.875-114.128 -9.821 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -113.264-115.765 -11.521 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -114.643-114.804 -11.024 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.107-114.143 -12.200 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -115.239-113.137 -12.478 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -110.574-112.339 -13.777 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -114.695-111.318 -14.032 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.084-110.186 -15.143 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.476-113.357 -7.681 1.00 0.00 N ATOM 1026 CA ASP A 99 -113.977-112.365 -6.735 1.00 0.00 C ATOM 1027 C ASP A 99 -112.858-111.430 -6.307 1.00 0.00 C ATOM 1028 O ASP A 99 -111.730-111.854 -6.067 1.00 0.00 O ATOM 1029 CB ASP A 99 -114.608-112.994 -5.455 1.00 0.00 C ATOM 1030 CG ASP A 99 -115.861-113.804 -5.805 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -116.783-113.224 -6.438 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -115.916-115.005 -5.429 1.00 0.00 O ATOM 0 H ASP A 99 -113.058-114.150 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 99 -114.761-111.822 -7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -113.879-113.638 -4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -114.865-112.206 -4.747 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.188-110.115 -6.236 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.298-108.996 -5.937 1.00 0.00 C ATOM 1039 C ASP A 100 -112.738-108.251 -4.672 1.00 0.00 C ATOM 1040 O ASP A 100 -112.429-107.076 -4.497 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.280-107.975 -7.125 1.00 0.00 C ATOM 1042 CG ASP A 100 -111.747-108.599 -8.424 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -112.477-109.414 -9.049 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -110.607-108.243 -8.824 1.00 0.00 O ATOM 0 H ASP A 100 -114.146-109.803 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.303-109.414 -5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -113.289-107.599 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.662-107.119 -6.856 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.486-108.914 -3.757 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.049-108.292 -2.560 1.00 0.00 C ATOM 1051 C ARG A 101 -113.275-108.513 -1.266 1.00 0.00 C ATOM 1052 O ARG A 101 -113.116-107.548 -0.521 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.536-108.695 -2.402 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.491-108.011 -3.401 1.00 0.00 C ATOM 1055 CD ARG A 101 -116.678-106.514 -3.110 1.00 0.00 C ATOM 1056 NE ARG A 101 -117.741-105.968 -4.024 1.00 0.00 N ATOM 1057 CZ ARG A 101 -118.273-104.714 -3.881 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -117.855-103.886 -2.881 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -119.239-104.292 -4.749 1.00 0.00 N ATOM 0 H ARG A 101 -113.711-109.905 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 101 -113.962-107.219 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.621-109.775 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -115.859-108.457 -1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.103-108.135 -4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -117.461-108.507 -3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -116.964-106.365 -2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -115.740-105.980 -3.262 1.00 0.00 H new ATOM 0 HE ARG A 101 -118.081-106.558 -4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -117.137-104.198 -2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -118.260-102.955 -2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -119.558-104.909 -5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -119.641-103.360 -4.651 1.00 0.00 H new ATOM 1073 N ILE A 102 -112.786-109.769 -0.963 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.031-110.370 0.141 1.00 0.00 C ATOM 1075 C ILE A 102 -111.400-109.405 1.128 1.00 0.00 C ATOM 1076 O ILE A 102 -111.885-109.272 2.246 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.053-111.413 -0.427 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -111.785-112.631 -1.078 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -110.112-111.941 0.682 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -112.576-112.375 -2.374 1.00 0.00 C ATOM 0 H ILE A 102 -112.967-110.504 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 102 -112.759-110.869 0.781 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.480-110.902 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -111.040-113.400 -1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -112.473-113.044 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -109.429-112.677 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -109.540-111.112 1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -110.704-112.406 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -113.031-113.306 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -113.356-111.638 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -111.902-112.000 -3.144 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.354-108.674 0.678 1.00 0.00 N ATOM 1093 CA ASP A 103 -109.817-107.538 1.398 1.00 0.00 C ATOM 1094 C ASP A 103 -109.626-106.384 0.424 1.00 0.00 C ATOM 1095 O ASP A 103 -108.791-106.424 -0.480 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.614-107.816 2.352 1.00 0.00 C ATOM 1097 CG ASP A 103 -107.331-108.438 1.785 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -107.242-108.679 0.560 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -106.408-108.684 2.610 1.00 0.00 O ATOM 0 H ASP A 103 -109.871-108.871 -0.198 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.560-107.249 2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.340-106.869 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -108.971-108.471 3.147 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.437-105.323 0.655 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.483-104.051 -0.048 1.00 0.00 C ATOM 1106 C LYS A 104 -111.384-103.191 0.842 1.00 0.00 C ATOM 1107 O LYS A 104 -112.295-102.517 0.381 1.00 0.00 O ATOM 1108 CB LYS A 104 -111.039-104.149 -1.509 1.00 0.00 C ATOM 1109 CG LYS A 104 -110.881-102.862 -2.354 1.00 0.00 C ATOM 1110 CD LYS A 104 -111.719-102.883 -3.647 1.00 0.00 C ATOM 1111 CE LYS A 104 -111.175-103.829 -4.719 1.00 0.00 C ATOM 1112 NZ LYS A 104 -112.069-103.877 -5.899 1.00 0.00 N ATOM 0 H LYS A 104 -111.128-105.355 1.405 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.484-103.640 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -110.532-104.967 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -112.097-104.409 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -111.173-102.001 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -109.830-102.730 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -112.740-103.175 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -111.765-101.874 -4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -110.182-103.501 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -111.066-104.830 -4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -111.673-104.527 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -113.010-104.213 -5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -112.153-102.925 -6.310 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.160-103.266 2.193 1.00 0.00 N ATOM 1127 CA LYS A 105 -111.925-102.652 3.295 1.00 0.00 C ATOM 1128 C LYS A 105 -113.118-103.545 3.655 1.00 0.00 C ATOM 1129 O LYS A 105 -114.233-103.388 3.157 1.00 0.00 O ATOM 1130 CB LYS A 105 -112.283-101.147 3.092 1.00 0.00 C ATOM 1131 CG LYS A 105 -112.645-100.352 4.363 1.00 0.00 C ATOM 1132 CD LYS A 105 -114.145-100.308 4.698 1.00 0.00 C ATOM 1133 CE LYS A 105 -114.425 -99.438 5.930 1.00 0.00 C ATOM 1134 NZ LYS A 105 -115.872 -99.384 6.221 1.00 0.00 N ATOM 0 H LYS A 105 -110.372-103.805 2.553 1.00 0.00 H new ATOM 0 HA LYS A 105 -111.265-102.606 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -111.437-100.656 2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -113.123-101.086 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.112-100.786 5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -112.284 -99.330 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -114.698 -99.918 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -114.508-101.320 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -113.892 -99.839 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -114.046 -98.430 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -116.018 -99.330 7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -116.286 -98.544 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -116.333-100.240 5.851 1.00 0.00 H new ATOM 1148 N MET A 106 -112.869-104.588 4.492 1.00 0.00 N ATOM 1149 CA MET A 106 -113.865-105.626 4.707 1.00 0.00 C ATOM 1150 C MET A 106 -113.557-106.316 6.027 1.00 0.00 C ATOM 1151 O MET A 106 -112.439-106.209 6.547 1.00 0.00 O ATOM 1152 CB MET A 106 -113.675-106.644 3.526 1.00 0.00 C ATOM 1153 CG MET A 106 -114.780-107.686 3.256 1.00 0.00 C ATOM 1154 SD MET A 106 -116.344-107.023 2.609 1.00 0.00 S ATOM 1155 CE MET A 106 -115.804-106.215 1.080 1.00 0.00 C ATOM 0 H MET A 106 -112.000-104.715 5.011 1.00 0.00 H new ATOM 0 HA MET A 106 -114.882-105.235 4.739 1.00 0.00 H new ATOM 0 HB2 MET A 106 -113.536-106.067 2.612 1.00 0.00 H new ATOM 0 HB3 MET A 106 -112.747-107.187 3.705 1.00 0.00 H new ATOM 0 HG2 MET A 106 -114.397-108.420 2.547 1.00 0.00 H new ATOM 0 HG3 MET A 106 -114.988-108.217 4.185 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.676-105.938 0.487 1.00 0.00 H new ATOM 0 HE2 MET A 106 -115.232-105.320 1.324 1.00 0.00 H new ATOM 0 HE3 MET A 106 -115.179-106.900 0.508 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.531-107.115 6.556 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.317-108.035 7.658 1.00 0.00 C ATOM 1167 C ARG A 107 -114.605-109.418 7.107 1.00 0.00 C ATOM 1168 O ARG A 107 -115.451-109.617 6.227 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.136-107.777 8.960 1.00 0.00 C ATOM 1170 CG ARG A 107 -116.671-107.923 8.890 1.00 0.00 C ATOM 1171 CD ARG A 107 -117.323-108.143 10.268 1.00 0.00 C ATOM 1172 NE ARG A 107 -116.883-107.060 11.215 1.00 0.00 N ATOM 1173 CZ ARG A 107 -117.206-107.051 12.547 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -117.960-108.048 13.093 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -116.766-106.027 13.335 1.00 0.00 N ATOM 0 H ARG A 107 -115.490-107.120 6.208 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.291-107.901 8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -114.770-108.461 9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -114.912-106.766 9.301 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -117.094-107.028 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -116.921-108.761 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -118.409-108.137 10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -117.043-109.120 10.662 1.00 0.00 H new ATOM 0 HE ARG A 107 -116.317-106.295 10.848 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -118.292-108.815 12.508 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -118.192-108.027 14.086 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -116.203-105.279 12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -117.000-106.010 14.328 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.908-110.438 7.625 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.111-111.798 7.208 1.00 0.00 C ATOM 1191 C VAL A 108 -114.066-112.653 8.438 1.00 0.00 C ATOM 1192 O VAL A 108 -113.335-112.397 9.405 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.070-112.241 6.166 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -111.619-112.205 6.690 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.399-113.627 5.584 1.00 0.00 C ATOM 0 H VAL A 108 -113.192-110.325 8.343 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.077-111.898 6.714 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.132-111.503 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -110.939-112.530 5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -111.366-111.188 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -111.525-112.871 7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.640-113.904 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.415-114.364 6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -114.375-113.596 5.100 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.827-113.771 8.359 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.703-114.881 9.264 1.00 0.00 C ATOM 1207 C ILE A 109 -114.372-115.996 8.278 1.00 0.00 C ATOM 1208 O ILE A 109 -115.227-116.449 7.501 1.00 0.00 O ATOM 1209 CB ILE A 109 -115.935-115.062 10.167 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -115.793-116.243 11.155 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -117.263-115.108 9.382 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -116.830-116.202 12.289 1.00 0.00 C ATOM 0 H ILE A 109 -115.546-113.904 7.648 1.00 0.00 H new ATOM 0 HA ILE A 109 -113.946-114.794 10.043 1.00 0.00 H new ATOM 0 HB ILE A 109 -115.978-114.160 10.777 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -115.896-117.181 10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -114.791-116.232 11.585 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -118.092-115.237 10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -117.393-114.176 8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -117.243-115.943 8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -116.680-117.056 12.950 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -116.712-115.279 12.856 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -117.834-116.242 11.866 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.072-116.439 8.274 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.570-117.520 7.437 1.00 0.00 C ATOM 1226 C TYR A 110 -112.283-118.759 8.269 1.00 0.00 C ATOM 1227 O TYR A 110 -111.295-118.804 8.995 1.00 0.00 O ATOM 1228 CB TYR A 110 -111.544-117.136 6.339 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.274-116.729 6.959 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -110.226-115.550 7.647 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.255-117.639 7.077 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.201-115.318 8.518 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -108.205-117.383 7.918 1.00 0.00 C ATOM 1234 CZ TYR A 110 -108.159-116.213 8.637 1.00 0.00 C ATOM 1235 OH TYR A 110 -107.117-116.018 9.560 1.00 0.00 O ATOM 0 H TYR A 110 -112.353-116.031 8.872 1.00 0.00 H new ATOM 0 HA TYR A 110 -113.385-117.801 6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -111.378-117.982 5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -111.938-116.323 5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -110.995-114.805 7.503 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -109.280-118.556 6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -109.206-114.422 9.121 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -107.408-118.105 8.017 1.00 0.00 H new ATOM 0 HH TYR A 110 -106.727-115.129 9.429 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.198-119.781 8.249 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.130-121.031 9.036 1.00 0.00 C ATOM 1247 C ARG A 111 -113.125-120.829 10.575 1.00 0.00 C ATOM 1248 O ARG A 111 -112.529-121.575 11.351 1.00 0.00 O ATOM 1249 CB ARG A 111 -111.957-121.944 8.537 1.00 0.00 C ATOM 1250 CG ARG A 111 -112.028-123.434 8.942 1.00 0.00 C ATOM 1251 CD ARG A 111 -110.813-124.266 8.497 1.00 0.00 C ATOM 1252 NE ARG A 111 -110.825-124.429 7.000 1.00 0.00 N ATOM 1253 CZ ARG A 111 -109.903-125.192 6.332 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -108.873-125.789 6.999 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -110.020-125.366 4.984 1.00 0.00 N ATOM 0 H ARG A 111 -114.029-119.742 7.658 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.068-121.554 8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -111.918-121.887 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -111.020-121.532 8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -112.123-123.500 10.026 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -112.930-123.872 8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -109.891-123.776 8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -110.835-125.244 8.978 1.00 0.00 H new ATOM 0 HE ARG A 111 -111.548-123.952 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -108.782-125.670 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -108.194-126.354 6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -110.791-124.929 4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -109.337-125.933 4.482 1.00 0.00 H new ATOM 1269 N GLY A 112 -113.825-119.754 11.037 1.00 0.00 N ATOM 1270 CA GLY A 112 -113.923-119.340 12.439 1.00 0.00 C ATOM 1271 C GLY A 112 -112.902-118.328 12.927 1.00 0.00 C ATOM 1272 O GLY A 112 -112.793-118.122 14.132 1.00 0.00 O ATOM 0 H GLY A 112 -114.348-119.142 10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -114.918-118.925 12.602 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -113.843-120.231 13.063 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.135-117.659 12.028 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.135-116.659 12.392 1.00 0.00 C ATOM 1278 C LYS A 113 -111.646-115.269 12.011 1.00 0.00 C ATOM 1279 O LYS A 113 -111.737-114.953 10.821 1.00 0.00 O ATOM 1280 CB LYS A 113 -109.781-116.951 11.687 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.192-118.355 11.934 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.869-118.657 13.409 1.00 0.00 C ATOM 1283 CE LYS A 113 -108.325-120.077 13.634 1.00 0.00 C ATOM 1284 NZ LYS A 113 -107.033-120.280 12.937 1.00 0.00 N ATOM 0 H LYS A 113 -112.205-117.811 11.022 1.00 0.00 H new ATOM 0 HA LYS A 113 -110.968-116.700 13.468 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -109.914-116.816 10.614 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -109.053-116.208 12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -109.897-119.101 11.569 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -108.281-118.463 11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -108.137-117.934 13.769 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -109.771-118.522 14.006 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -108.195-120.253 14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -109.051-120.807 13.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -106.636-121.203 13.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -107.185-120.253 11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -106.370-119.526 13.209 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.001-114.413 13.020 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.546-113.064 12.837 1.00 0.00 C ATOM 1300 C ILE A 114 -111.422-112.027 12.800 1.00 0.00 C ATOM 1301 O ILE A 114 -110.791-111.722 13.813 1.00 0.00 O ATOM 1302 CB ILE A 114 -113.599-112.636 13.880 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -114.688-113.706 14.152 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -114.323-111.361 13.366 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -114.303-114.852 15.096 1.00 0.00 C ATOM 0 H ILE A 114 -111.906-114.667 14.003 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.068-113.108 11.881 1.00 0.00 H new ATOM 0 HB ILE A 114 -113.056-112.472 14.810 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -115.563-113.204 14.564 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -114.988-114.137 13.197 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -115.070-111.048 14.095 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -113.596-110.561 13.226 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -114.811-111.578 12.416 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -115.147-115.533 15.205 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -113.452-115.393 14.683 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -114.036-114.446 16.072 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.178-111.460 11.593 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.171-110.446 11.329 1.00 0.00 C ATOM 1319 C VAL A 115 -110.793-109.294 10.535 1.00 0.00 C ATOM 1320 O VAL A 115 -111.710-109.495 9.734 1.00 0.00 O ATOM 1321 CB VAL A 115 -108.946-111.083 10.647 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -109.245-111.611 9.227 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -107.725-110.141 10.656 1.00 0.00 C ATOM 0 H VAL A 115 -111.705-111.717 10.758 1.00 0.00 H new ATOM 0 HA VAL A 115 -109.807-110.016 12.262 1.00 0.00 H new ATOM 0 HB VAL A 115 -108.694-111.956 11.249 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -108.340-112.047 8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -110.025-112.371 9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -109.581-110.788 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -106.884-110.631 10.165 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -107.971-109.222 10.124 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -107.456-109.904 11.685 1.00 0.00 H new ATOM 1333 N THR A 116 -110.264-108.052 10.725 1.00 0.00 N ATOM 1334 CA THR A 116 -110.594-106.834 9.984 1.00 0.00 C ATOM 1335 C THR A 116 -109.303-106.520 9.242 1.00 0.00 C ATOM 1336 O THR A 116 -108.213-106.588 9.819 1.00 0.00 O ATOM 1337 CB THR A 116 -111.154-105.691 10.846 1.00 0.00 C ATOM 1338 OG1 THR A 116 -111.395-104.490 10.115 1.00 0.00 O ATOM 1339 CG2 THR A 116 -110.252-105.356 12.047 1.00 0.00 C ATOM 0 H THR A 116 -109.559-107.882 11.442 1.00 0.00 H new ATOM 0 HA THR A 116 -111.431-106.973 9.300 1.00 0.00 H new ATOM 0 HB THR A 116 -112.109-106.077 11.204 1.00 0.00 H new ATOM 0 HG1 THR A 116 -111.751-103.805 10.719 1.00 0.00 H new ATOM 0 HG21 THR A 116 -110.696-104.542 12.620 1.00 0.00 H new ATOM 0 HG22 THR A 116 -110.152-106.235 12.683 1.00 0.00 H new ATOM 0 HG23 THR A 116 -109.268-105.053 11.690 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.420-106.252 7.919 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.275-106.140 7.026 1.00 0.00 C ATOM 1349 C PHE A 117 -108.549-105.310 5.773 1.00 0.00 C ATOM 1350 O PHE A 117 -109.698-105.025 5.419 1.00 0.00 O ATOM 1351 CB PHE A 117 -107.681-107.550 6.652 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.556-108.576 5.929 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -109.932-108.525 5.756 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -107.897-109.661 5.384 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.593-109.492 5.024 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.549-110.650 4.678 1.00 0.00 C ATOM 1357 CZ PHE A 117 -109.904-110.550 4.465 1.00 0.00 C ATOM 0 H PHE A 117 -110.317-106.110 7.455 1.00 0.00 H new ATOM 0 HA PHE A 117 -107.523-105.592 7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -106.801-107.378 6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.334-108.012 7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.494-107.717 6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -106.828-109.738 5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.662-109.420 4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -107.999-111.497 4.295 1.00 0.00 H new ATOM 0 HZ PHE A 117 -110.421-111.288 3.870 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.446-104.933 5.063 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.437-104.148 3.823 1.00 0.00 C ATOM 1369 C ILE A 118 -106.507-104.821 2.811 1.00 0.00 C ATOM 1370 O ILE A 118 -105.681-105.657 3.176 1.00 0.00 O ATOM 1371 CB ILE A 118 -107.029-102.674 4.022 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -105.702-102.535 4.815 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -108.195-101.921 4.709 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -105.132-101.112 4.805 1.00 0.00 C ATOM 0 H ILE A 118 -106.505-105.186 5.365 1.00 0.00 H new ATOM 0 HA ILE A 118 -108.462-104.126 3.453 1.00 0.00 H new ATOM 0 HB ILE A 118 -106.837-102.225 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -105.870-102.844 5.847 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -104.963-103.217 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -107.918-100.877 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -109.084-101.976 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -108.405-102.379 5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -104.205-101.087 5.378 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -104.932-100.807 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -105.853-100.428 5.252 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.632-104.463 1.502 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.809-105.021 0.434 1.00 0.00 C ATOM 1388 C GLY A 119 -106.147-104.479 -0.925 1.00 0.00 C ATOM 1389 O GLY A 119 -106.876-103.495 -1.030 1.00 0.00 O ATOM 0 H GLY A 119 -107.313-103.777 1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.760-104.815 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -105.926-106.105 0.424 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.625-105.136 -2.007 1.00 0.00 N ATOM 1394 CA ASP A 120 -105.849-104.800 -3.418 1.00 0.00 C ATOM 1395 C ASP A 120 -105.868-106.065 -4.327 1.00 0.00 C ATOM 1396 O ASP A 120 -105.052-106.966 -4.093 1.00 0.00 O ATOM 1397 CB ASP A 120 -104.819-103.750 -3.962 1.00 0.00 C ATOM 1398 CG ASP A 120 -103.343-104.169 -3.829 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -102.829-104.207 -2.679 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -102.715-104.447 -4.886 1.00 0.00 O ATOM 0 H ASP A 120 -105.014-105.945 -1.896 1.00 0.00 H new ATOM 0 HA ASP A 120 -106.836-104.340 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -105.035-103.560 -5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -104.965-102.809 -3.431 1.00 0.00 H new ATOM 1405 N PRO A 121 -106.776-106.229 -5.338 1.00 0.00 N ATOM 1406 CA PRO A 121 -106.848-107.402 -6.216 1.00 0.00 C ATOM 1407 C PRO A 121 -106.266-107.172 -7.640 1.00 0.00 C ATOM 1408 O PRO A 121 -106.418-106.108 -8.244 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.371-107.619 -6.276 1.00 0.00 C ATOM 1410 CG PRO A 121 -108.966-106.205 -6.303 1.00 0.00 C ATOM 1411 CD PRO A 121 -107.943-105.362 -5.525 1.00 0.00 C ATOM 0 HA PRO A 121 -106.259-108.241 -5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.656-108.185 -7.163 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.725-108.181 -5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -109.090-105.842 -7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -109.949-106.176 -5.833 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -107.677-104.461 -6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.349-105.040 -4.566 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.620-108.222 -8.224 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.096-108.259 -9.597 1.00 0.00 C ATOM 1421 C VAL A 122 -105.566-109.592 -10.188 1.00 0.00 C ATOM 1422 O VAL A 122 -105.539-110.615 -9.500 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.562-108.090 -9.681 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -103.030-108.226 -11.130 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.168-106.694 -9.143 1.00 0.00 C ATOM 0 H VAL A 122 -105.450-109.093 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 122 -105.476-107.411 -10.167 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.118-108.884 -9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -101.947-108.099 -11.134 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.281-109.213 -11.519 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -103.487-107.462 -11.759 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.086-106.573 -9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.652-105.923 -9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.488-106.601 -8.105 1.00 0.00 H new ATOM 1435 N ASP A 123 -106.014-109.646 -11.479 1.00 0.00 N ATOM 1436 CA ASP A 123 -106.464-110.883 -12.137 1.00 0.00 C ATOM 1437 C ASP A 123 -105.314-111.523 -12.923 1.00 0.00 C ATOM 1438 O ASP A 123 -104.966-111.134 -14.036 1.00 0.00 O ATOM 1439 CB ASP A 123 -107.749-110.686 -13.011 1.00 0.00 C ATOM 1440 CG ASP A 123 -107.661-109.568 -14.065 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -107.597-108.374 -13.670 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -107.673-109.903 -15.279 1.00 0.00 O ATOM 0 H ASP A 123 -106.068-108.824 -12.081 1.00 0.00 H new ATOM 0 HA ASP A 123 -106.762-111.576 -11.350 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -107.971-111.625 -13.518 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -108.589-110.475 -12.350 1.00 0.00 H new ATOM 1520 N GLU A 129 -110.694-119.474 -13.830 1.00 0.00 N ATOM 1521 CA GLU A 129 -111.208-118.219 -13.295 1.00 0.00 C ATOM 1522 C GLU A 129 -110.775-117.880 -11.869 1.00 0.00 C ATOM 1523 O GLU A 129 -111.589-117.718 -10.967 1.00 0.00 O ATOM 1524 CB GLU A 129 -112.754-118.240 -13.412 1.00 0.00 C ATOM 1525 CG GLU A 129 -113.248-118.446 -14.857 1.00 0.00 C ATOM 1526 CD GLU A 129 -114.774-118.382 -14.889 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -115.418-119.260 -14.252 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -115.316-117.456 -15.550 1.00 0.00 O ATOM 0 HA GLU A 129 -110.767-117.422 -13.894 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -113.149-119.037 -12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -113.154-117.302 -13.028 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -112.828-117.680 -15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -112.906-119.409 -15.235 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.443-117.759 -11.641 1.00 0.00 N ATOM 1536 CA ILE A 130 -108.859-117.444 -10.336 1.00 0.00 C ATOM 1537 C ILE A 130 -108.353-116.006 -10.295 1.00 0.00 C ATOM 1538 O ILE A 130 -107.586-115.555 -11.151 1.00 0.00 O ATOM 1539 CB ILE A 130 -107.760-118.451 -9.931 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -108.326-119.895 -9.823 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -107.024-118.064 -8.618 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -109.444-120.068 -8.783 1.00 0.00 C ATOM 0 H ILE A 130 -108.745-117.881 -12.375 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.652-117.537 -9.594 1.00 0.00 H new ATOM 0 HB ILE A 130 -107.021-118.417 -10.732 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -108.706-120.196 -10.799 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -107.510-120.574 -9.576 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -106.265-118.813 -8.392 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -106.548-117.091 -8.741 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -107.742-118.016 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -109.778-121.106 -8.777 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -109.067-119.802 -7.796 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -110.282-119.419 -9.038 1.00 0.00 H new ATOM 1554 N THR A 131 -108.736-115.286 -9.202 1.00 0.00 N ATOM 1555 CA THR A 131 -108.218-113.962 -8.877 1.00 0.00 C ATOM 1556 C THR A 131 -107.423-114.084 -7.578 1.00 0.00 C ATOM 1557 O THR A 131 -107.729-114.834 -6.635 1.00 0.00 O ATOM 1558 CB THR A 131 -109.253-112.833 -8.934 1.00 0.00 C ATOM 1559 OG1 THR A 131 -109.492-112.525 -10.299 1.00 0.00 O ATOM 1560 CG2 THR A 131 -108.811-111.497 -8.303 1.00 0.00 C ATOM 0 H THR A 131 -109.420-115.628 -8.528 1.00 0.00 H new ATOM 0 HA THR A 131 -107.539-113.628 -9.662 1.00 0.00 H new ATOM 0 HB THR A 131 -110.111-113.208 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 131 -110.190-113.116 -10.650 1.00 0.00 H new ATOM 0 HG21 THR A 131 -109.615-110.767 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 131 -108.581-111.651 -7.249 1.00 0.00 H new ATOM 0 HG23 THR A 131 -107.924-111.128 -8.817 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.292-113.323 -7.606 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.236-113.200 -6.631 1.00 0.00 C ATOM 1570 C ARG A 132 -105.440-111.919 -5.852 1.00 0.00 C ATOM 1571 O ARG A 132 -105.483-110.816 -6.408 1.00 0.00 O ATOM 1572 CB ARG A 132 -103.862-113.203 -7.361 1.00 0.00 C ATOM 1573 CG ARG A 132 -102.636-113.119 -6.428 1.00 0.00 C ATOM 1574 CD ARG A 132 -101.298-113.446 -7.111 1.00 0.00 C ATOM 1575 NE ARG A 132 -101.290-114.904 -7.486 1.00 0.00 N ATOM 1576 CZ ARG A 132 -100.177-115.558 -7.940 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -98.992-114.901 -8.098 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -100.259-116.886 -8.249 1.00 0.00 N ATOM 0 H ARG A 132 -106.104-112.727 -8.412 1.00 0.00 H new ATOM 0 HA ARG A 132 -105.254-114.039 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -103.785-114.111 -7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.832-112.362 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -102.581-112.114 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -102.782-113.805 -5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -101.166-112.827 -7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -100.468-113.224 -6.441 1.00 0.00 H new ATOM 0 HE ARG A 132 -102.159-115.431 -7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -98.926-113.907 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -98.172-115.403 -8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -101.144-117.381 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -99.435-117.383 -8.588 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.605-112.067 -4.515 1.00 0.00 N ATOM 1593 CA ILE A 133 -105.853-110.974 -3.593 1.00 0.00 C ATOM 1594 C ILE A 133 -104.652-110.936 -2.669 1.00 0.00 C ATOM 1595 O ILE A 133 -104.284-111.954 -2.070 1.00 0.00 O ATOM 1596 CB ILE A 133 -107.160-111.090 -2.789 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -108.334-111.734 -3.569 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.528-109.685 -2.267 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -108.898-110.835 -4.663 1.00 0.00 C ATOM 0 H ILE A 133 -105.565-112.977 -4.055 1.00 0.00 H new ATOM 0 HA ILE A 133 -105.983-110.054 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 133 -106.983-111.777 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -107.995-112.669 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -109.131-111.986 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.453-109.741 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -106.727-109.312 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -107.665-109.008 -3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -109.716-111.347 -5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -109.268-109.910 -4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -108.114-110.604 -5.384 1.00 0.00 H new