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 73 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.51) USER MOD Set 1.2: A 93 ASN : amide:sc= 0 K(o=-0.2,f=-0.93) USER MOD Set 2.1: A 92 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 71 HIS : no HE2:sc= 0.0951 K(o=1.2,f=-4.8!) USER MOD Set 3.2: A 110 TYR OH : rot -12:sc= 1.15 USER MOD Set 4.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 106 MET CE :methyl 179:sc= 0 (180deg=-0.0221) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 1:sc= 0.141 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -75:sc= -0.801 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 44:sc= 0.176 USER MOD Single : A 131 THR OG1 : rot 140:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -111.332-124.152 1.584 1.00 0.00 N ATOM 114 CA ASP A 41 -112.355-123.989 2.613 1.00 0.00 C ATOM 115 C ASP A 41 -113.511-123.164 2.070 1.00 0.00 C ATOM 116 O ASP A 41 -113.440-122.642 0.969 1.00 0.00 O ATOM 117 CB ASP A 41 -111.782-123.332 3.898 1.00 0.00 C ATOM 118 CG ASP A 41 -110.838-124.310 4.612 1.00 0.00 C ATOM 119 OD1 ASP A 41 -109.735-124.590 4.071 1.00 0.00 O ATOM 120 OD2 ASP A 41 -111.211-124.790 5.716 1.00 0.00 O ATOM 0 HA ASP A 41 -112.714-124.981 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -111.246-122.418 3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.596-123.047 4.565 1.00 0.00 H new ATOM 125 N VAL A 42 -114.626-123.033 2.826 1.00 0.00 N ATOM 126 CA VAL A 42 -115.809-122.233 2.498 1.00 0.00 C ATOM 127 C VAL A 42 -115.908-121.161 3.571 1.00 0.00 C ATOM 128 O VAL A 42 -115.850-121.462 4.765 1.00 0.00 O ATOM 129 CB VAL A 42 -117.096-123.057 2.375 1.00 0.00 C ATOM 130 CG1 VAL A 42 -117.141-123.662 0.959 1.00 0.00 C ATOM 131 CG2 VAL A 42 -117.168-124.165 3.449 1.00 0.00 C ATOM 0 H VAL A 42 -114.721-123.509 3.723 1.00 0.00 H new ATOM 0 HA VAL A 42 -115.696-121.792 1.508 1.00 0.00 H new ATOM 0 HB VAL A 42 -117.958-122.410 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -118.049-124.254 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -117.136-122.860 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -116.270-124.300 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -118.094-124.728 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -116.318-124.837 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -117.143-123.713 4.440 1.00 0.00 H new ATOM 141 N ILE A 43 -116.005-119.851 3.184 1.00 0.00 N ATOM 142 CA ILE A 43 -115.984-118.711 4.122 1.00 0.00 C ATOM 143 C ILE A 43 -117.003-117.601 3.751 1.00 0.00 C ATOM 144 O ILE A 43 -117.553-117.590 2.645 1.00 0.00 O ATOM 145 CB ILE A 43 -114.551-118.154 4.292 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.930-117.681 2.962 1.00 0.00 C ATOM 147 CG2 ILE A 43 -113.632-119.232 4.925 1.00 0.00 C ATOM 148 CD1 ILE A 43 -112.534-117.078 3.145 1.00 0.00 C ATOM 0 H ILE A 43 -116.100-119.569 2.208 1.00 0.00 H new ATOM 0 HA ILE A 43 -116.307-119.095 5.090 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.631-117.286 4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.870-118.524 2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -114.584-116.940 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -112.625-118.830 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -114.024-119.516 5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -113.600-120.109 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.144-116.762 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.594-116.217 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -111.869-117.825 3.577 1.00 0.00 H new ATOM 160 N THR A 44 -117.245-116.623 4.690 1.00 0.00 N ATOM 161 CA THR A 44 -118.227-115.523 4.563 1.00 0.00 C ATOM 162 C THR A 44 -117.546-114.150 4.504 1.00 0.00 C ATOM 163 O THR A 44 -116.918-113.733 5.483 1.00 0.00 O ATOM 164 CB THR A 44 -119.231-115.481 5.742 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.898-116.724 5.923 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.341-114.433 5.510 1.00 0.00 C ATOM 0 H THR A 44 -116.739-116.592 5.575 1.00 0.00 H new ATOM 0 HA THR A 44 -118.756-115.729 3.632 1.00 0.00 H new ATOM 0 HB THR A 44 -118.629-115.233 6.616 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.520-116.655 6.677 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.025-114.434 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 44 -119.893-113.445 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 44 -120.890-114.679 4.601 1.00 0.00 H new ATOM 174 N PHE A 45 -117.681-113.397 3.369 1.00 0.00 N ATOM 175 CA PHE A 45 -117.122-112.037 3.193 1.00 0.00 C ATOM 176 C PHE A 45 -118.182-110.947 3.438 1.00 0.00 C ATOM 177 O PHE A 45 -119.314-111.074 2.951 1.00 0.00 O ATOM 178 CB PHE A 45 -116.527-111.849 1.775 1.00 0.00 C ATOM 179 CG PHE A 45 -115.362-112.776 1.525 1.00 0.00 C ATOM 180 CD1 PHE A 45 -115.569-114.071 1.080 1.00 0.00 C ATOM 181 CD2 PHE A 45 -114.058-112.326 1.632 1.00 0.00 C ATOM 182 CE1 PHE A 45 -114.516-114.908 0.780 1.00 0.00 C ATOM 183 CE2 PHE A 45 -112.998-113.165 1.351 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.224-114.458 0.932 1.00 0.00 C ATOM 0 H PHE A 45 -118.188-113.730 2.549 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.329-111.933 3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.301-112.030 1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.202-110.816 1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -116.580-114.434 0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -113.867-111.308 1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -114.703-115.912 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -111.985-112.806 1.460 1.00 0.00 H new ATOM 0 HZ PHE A 45 -112.392-115.115 0.724 1.00 0.00 H new ATOM 194 N GLN A 46 -117.836-109.852 4.196 1.00 0.00 N ATOM 195 CA GLN A 46 -118.740-108.779 4.643 1.00 0.00 C ATOM 196 C GLN A 46 -118.128-107.383 4.488 1.00 0.00 C ATOM 197 O GLN A 46 -116.934-107.242 4.242 1.00 0.00 O ATOM 198 CB GLN A 46 -119.082-108.906 6.162 1.00 0.00 C ATOM 199 CG GLN A 46 -119.680-110.249 6.618 1.00 0.00 C ATOM 200 CD GLN A 46 -119.620-110.277 8.143 1.00 0.00 C ATOM 201 OE1 GLN A 46 -118.576-110.571 8.719 1.00 0.00 O ATOM 202 NE2 GLN A 46 -120.745-109.930 8.808 1.00 0.00 N ATOM 0 H GLN A 46 -116.878-109.705 4.514 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.622-108.891 4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -118.172-108.726 6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -119.784-108.114 6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -120.709-110.349 6.272 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -119.119-111.083 6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -121.591-109.693 8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -120.748-109.905 9.828 1.00 0.00 H new ATOM 211 N SER A 47 -118.952-106.319 4.702 1.00 0.00 N ATOM 212 CA SER A 47 -118.542-104.909 4.755 1.00 0.00 C ATOM 213 C SER A 47 -119.267-104.251 5.926 1.00 0.00 C ATOM 214 O SER A 47 -120.452-104.488 6.167 1.00 0.00 O ATOM 215 CB SER A 47 -118.888-104.131 3.436 1.00 0.00 C ATOM 216 OG SER A 47 -118.287-102.829 3.323 1.00 0.00 O ATOM 0 H SER A 47 -119.955-106.437 4.846 1.00 0.00 H new ATOM 0 HA SER A 47 -117.459-104.872 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 47 -118.575-104.734 2.584 1.00 0.00 H new ATOM 0 HB3 SER A 47 -119.970-104.022 3.370 1.00 0.00 H new ATOM 0 HG SER A 47 -118.553-102.418 2.474 1.00 0.00 H new ATOM 222 N TYR A 48 -118.566-103.347 6.656 1.00 0.00 N ATOM 223 CA TYR A 48 -119.122-102.497 7.698 1.00 0.00 C ATOM 224 C TYR A 48 -119.301-101.138 7.015 1.00 0.00 C ATOM 225 O TYR A 48 -118.382-100.593 6.399 1.00 0.00 O ATOM 226 CB TYR A 48 -118.162-102.448 8.925 1.00 0.00 C ATOM 227 CG TYR A 48 -118.729-101.857 10.196 1.00 0.00 C ATOM 228 CD1 TYR A 48 -120.059-101.982 10.570 1.00 0.00 C ATOM 229 CD2 TYR A 48 -117.857-101.239 11.076 1.00 0.00 C ATOM 230 CE1 TYR A 48 -120.491-101.527 11.799 1.00 0.00 C ATOM 231 CE2 TYR A 48 -118.293-100.762 12.295 1.00 0.00 C ATOM 232 CZ TYR A 48 -119.610-100.922 12.666 1.00 0.00 C ATOM 233 OH TYR A 48 -120.071-100.465 13.919 1.00 0.00 O ATOM 0 H TYR A 48 -117.566-103.198 6.518 1.00 0.00 H new ATOM 0 HA TYR A 48 -120.069-102.857 8.101 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.828-103.463 9.139 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.278-101.874 8.645 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -120.764-102.440 9.892 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.818-101.128 10.804 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -121.526-101.646 12.082 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -117.602-100.263 12.958 1.00 0.00 H new ATOM 0 HH TYR A 48 -119.327-100.063 14.414 1.00 0.00 H new ATOM 431 N TRP A 62 -124.402-103.174 8.994 1.00 0.00 N ATOM 432 CA TRP A 62 -123.685-104.353 8.574 1.00 0.00 C ATOM 433 C TRP A 62 -124.403-104.949 7.356 1.00 0.00 C ATOM 434 O TRP A 62 -125.632-104.998 7.294 1.00 0.00 O ATOM 435 CB TRP A 62 -123.633-105.362 9.760 1.00 0.00 C ATOM 436 CG TRP A 62 -122.416-105.183 10.657 1.00 0.00 C ATOM 437 CD1 TRP A 62 -122.271-104.785 11.956 1.00 0.00 C ATOM 438 CD2 TRP A 62 -121.104-105.536 10.205 1.00 0.00 C ATOM 439 NE1 TRP A 62 -120.956-104.891 12.339 1.00 0.00 N ATOM 440 CE2 TRP A 62 -120.240-105.355 11.276 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.662-105.980 8.998 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.924-105.629 11.169 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -119.319-106.273 8.887 1.00 0.00 C ATOM 444 CH2 TRP A 62 -118.462-106.102 9.961 1.00 0.00 C ATOM 0 HA TRP A 62 -122.661-104.113 8.290 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -124.536-105.252 10.360 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -123.636-106.377 9.363 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -123.074-104.438 12.590 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -120.580-104.662 13.259 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -121.335-106.098 8.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -118.254-105.482 12.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.930-106.641 7.949 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -117.415-106.343 9.850 1.00 0.00 H new ATOM 455 N VAL A 63 -123.620-105.424 6.352 1.00 0.00 N ATOM 456 CA VAL A 63 -124.119-106.035 5.130 1.00 0.00 C ATOM 457 C VAL A 63 -123.196-107.199 4.792 1.00 0.00 C ATOM 458 O VAL A 63 -122.018-107.178 5.161 1.00 0.00 O ATOM 459 CB VAL A 63 -124.226-104.993 4.002 1.00 0.00 C ATOM 460 CG1 VAL A 63 -122.857-104.412 3.577 1.00 0.00 C ATOM 461 CG2 VAL A 63 -125.014-105.533 2.791 1.00 0.00 C ATOM 0 H VAL A 63 -122.601-105.383 6.388 1.00 0.00 H new ATOM 0 HA VAL A 63 -125.131-106.418 5.262 1.00 0.00 H new ATOM 0 HB VAL A 63 -124.793-104.161 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -123.003-103.684 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -122.388-103.925 4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -122.215-105.217 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -125.065-104.765 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -124.511-106.415 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -126.023-105.801 3.104 1.00 0.00 H new ATOM 471 N ASP A 64 -123.718-108.232 4.064 1.00 0.00 N ATOM 472 CA ASP A 64 -122.981-109.398 3.562 1.00 0.00 C ATOM 473 C ASP A 64 -122.563-109.090 2.125 1.00 0.00 C ATOM 474 O ASP A 64 -123.362-108.585 1.342 1.00 0.00 O ATOM 475 CB ASP A 64 -123.842-110.699 3.640 1.00 0.00 C ATOM 476 CG ASP A 64 -123.028-111.968 3.350 1.00 0.00 C ATOM 477 OD1 ASP A 64 -122.028-112.201 4.078 1.00 0.00 O ATOM 478 OD2 ASP A 64 -123.390-112.707 2.395 1.00 0.00 O ATOM 0 H ASP A 64 -124.705-108.261 3.809 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.102-109.582 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.286-110.776 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -124.664-110.629 2.927 1.00 0.00 H new ATOM 483 N GLU A 65 -121.275-109.350 1.762 1.00 0.00 N ATOM 484 CA GLU A 65 -120.673-109.018 0.470 1.00 0.00 C ATOM 485 C GLU A 65 -120.925-110.105 -0.541 1.00 0.00 C ATOM 486 O GLU A 65 -121.430-109.863 -1.636 1.00 0.00 O ATOM 487 CB GLU A 65 -119.135-108.769 0.600 1.00 0.00 C ATOM 488 CG GLU A 65 -118.493-107.965 -0.549 1.00 0.00 C ATOM 489 CD GLU A 65 -119.178-106.610 -0.737 1.00 0.00 C ATOM 490 OE1 GLU A 65 -119.328-105.868 0.270 1.00 0.00 O ATOM 491 OE2 GLU A 65 -119.562-106.300 -1.896 1.00 0.00 O ATOM 0 H GLU A 65 -120.619-109.812 2.392 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.145-108.098 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -118.948-108.244 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -118.633-109.734 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -117.434-107.813 -0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -118.556-108.537 -1.475 1.00 0.00 H new ATOM 498 N PHE A 66 -120.551-111.349 -0.148 1.00 0.00 N ATOM 499 CA PHE A 66 -120.734-112.548 -0.946 1.00 0.00 C ATOM 500 C PHE A 66 -120.390-113.689 -0.014 1.00 0.00 C ATOM 501 O PHE A 66 -119.948-113.493 1.120 1.00 0.00 O ATOM 502 CB PHE A 66 -119.956-112.621 -2.324 1.00 0.00 C ATOM 503 CG PHE A 66 -118.444-112.627 -2.214 1.00 0.00 C ATOM 504 CD1 PHE A 66 -117.788-111.503 -1.773 1.00 0.00 C ATOM 505 CD2 PHE A 66 -117.695-113.762 -2.470 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.454-111.537 -1.463 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.332-113.781 -2.225 1.00 0.00 C ATOM 508 CZ PHE A 66 -115.713-112.672 -1.676 1.00 0.00 C ATOM 0 H PHE A 66 -120.107-111.530 0.752 1.00 0.00 H new ATOM 0 HA PHE A 66 -121.762-112.579 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.269-113.522 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.256-111.771 -2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.334-110.577 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.179-114.643 -2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -115.980-110.660 -1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -115.753-114.661 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 66 -114.664-112.699 -1.419 1.00 0.00 H new ATOM 518 N THR A 67 -120.565-114.943 -0.461 1.00 0.00 N ATOM 519 CA THR A 67 -120.181-116.108 0.314 1.00 0.00 C ATOM 520 C THR A 67 -119.642-117.002 -0.763 1.00 0.00 C ATOM 521 O THR A 67 -120.254-117.138 -1.823 1.00 0.00 O ATOM 522 CB THR A 67 -121.339-116.705 1.116 1.00 0.00 C ATOM 523 OG1 THR A 67 -121.696-115.791 2.153 1.00 0.00 O ATOM 524 CG2 THR A 67 -120.977-118.042 1.793 1.00 0.00 C ATOM 0 H THR A 67 -120.976-115.165 -1.368 1.00 0.00 H new ATOM 0 HA THR A 67 -119.460-115.908 1.107 1.00 0.00 H new ATOM 0 HB THR A 67 -122.152-116.884 0.413 1.00 0.00 H new ATOM 0 HG1 THR A 67 -121.123-114.998 2.101 1.00 0.00 H new ATOM 0 HG21 THR A 67 -121.839-118.415 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 67 -120.692-118.769 1.033 1.00 0.00 H new ATOM 0 HG23 THR A 67 -120.144-117.889 2.479 1.00 0.00 H new ATOM 532 N ALA A 68 -118.460-117.603 -0.530 1.00 0.00 N ATOM 533 CA ALA A 68 -117.826-118.412 -1.568 1.00 0.00 C ATOM 534 C ALA A 68 -116.874-119.433 -0.997 1.00 0.00 C ATOM 535 O ALA A 68 -116.401-119.329 0.137 1.00 0.00 O ATOM 536 CB ALA A 68 -117.061-117.527 -2.595 1.00 0.00 C ATOM 0 H ALA A 68 -117.942-117.542 0.347 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.637-118.936 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.602-118.163 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.758-116.839 -3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.286-116.959 -2.080 1.00 0.00 H new ATOM 542 N ALA A 69 -116.498-120.452 -1.832 1.00 0.00 N ATOM 543 CA ALA A 69 -115.449-121.413 -1.508 1.00 0.00 C ATOM 544 C ALA A 69 -114.122-120.737 -1.865 1.00 0.00 C ATOM 545 O ALA A 69 -113.842-120.418 -3.015 1.00 0.00 O ATOM 546 CB ALA A 69 -115.668-122.728 -2.296 1.00 0.00 C ATOM 0 H ALA A 69 -116.928-120.610 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.456-121.688 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.879-123.438 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.636-123.154 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.643-122.520 -3.366 1.00 0.00 H new ATOM 552 N ALA A 70 -113.329-120.449 -0.818 1.00 0.00 N ATOM 553 CA ALA A 70 -112.165-119.614 -0.873 1.00 0.00 C ATOM 554 C ALA A 70 -111.439-119.771 0.438 1.00 0.00 C ATOM 555 O ALA A 70 -111.936-120.314 1.424 1.00 0.00 O ATOM 556 CB ALA A 70 -112.536-118.121 -1.001 1.00 0.00 C ATOM 0 H ALA A 70 -113.508-120.817 0.116 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.568-119.907 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.626-117.522 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.111-117.966 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -113.133-117.819 -0.140 1.00 0.00 H new ATOM 562 N HIS A 71 -110.213-119.234 0.507 1.00 0.00 N ATOM 563 CA HIS A 71 -109.428-119.280 1.729 1.00 0.00 C ATOM 564 C HIS A 71 -108.617-117.994 1.876 1.00 0.00 C ATOM 565 O HIS A 71 -107.972-117.519 0.933 1.00 0.00 O ATOM 566 CB HIS A 71 -108.624-120.598 1.710 1.00 0.00 C ATOM 567 CG HIS A 71 -107.776-120.963 2.890 1.00 0.00 C ATOM 568 ND1 HIS A 71 -106.426-120.716 2.996 1.00 0.00 N ATOM 569 CD2 HIS A 71 -108.092-121.743 3.955 1.00 0.00 C ATOM 570 CE1 HIS A 71 -105.995-121.334 4.119 1.00 0.00 C ATOM 571 NE2 HIS A 71 -106.976-121.961 4.732 1.00 0.00 N ATOM 0 H HIS A 71 -109.752-118.765 -0.273 1.00 0.00 H new ATOM 0 HA HIS A 71 -110.038-119.304 2.632 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -109.333-121.411 1.554 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.973-120.571 0.836 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -105.858-120.169 2.349 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -109.076-122.136 4.163 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -104.973-121.315 4.469 1.00 0.00 H new ATOM 579 N VAL A 72 -108.695-117.391 3.100 1.00 0.00 N ATOM 580 CA VAL A 72 -108.072-116.135 3.536 1.00 0.00 C ATOM 581 C VAL A 72 -107.064-116.542 4.616 1.00 0.00 C ATOM 582 O VAL A 72 -107.417-116.763 5.767 1.00 0.00 O ATOM 583 CB VAL A 72 -109.130-115.095 4.041 1.00 0.00 C ATOM 584 CG1 VAL A 72 -108.490-113.872 4.704 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.132-114.491 3.016 1.00 0.00 C ATOM 0 H VAL A 72 -109.239-117.814 3.852 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.575-115.620 2.714 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.685-115.743 4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -109.271-113.187 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -107.900-114.191 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -107.843-113.367 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -110.795-113.791 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -109.582-113.967 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.723-115.291 2.570 1.00 0.00 H new ATOM 595 N GLN A 73 -105.758-116.657 4.267 1.00 0.00 N ATOM 596 CA GLN A 73 -104.656-117.146 5.102 1.00 0.00 C ATOM 597 C GLN A 73 -103.771-115.979 5.551 1.00 0.00 C ATOM 598 O GLN A 73 -103.538-115.098 4.725 1.00 0.00 O ATOM 599 CB GLN A 73 -103.876-118.166 4.225 1.00 0.00 C ATOM 600 CG GLN A 73 -102.756-119.027 4.862 1.00 0.00 C ATOM 601 CD GLN A 73 -101.379-118.361 4.764 1.00 0.00 C ATOM 602 OE1 GLN A 73 -100.994-117.822 3.719 1.00 0.00 O ATOM 603 NE2 GLN A 73 -100.613-118.412 5.886 1.00 0.00 N ATOM 0 H GLN A 73 -105.437-116.392 3.336 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.012-117.623 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -104.607-118.850 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -103.431-117.612 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -102.994-119.210 5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -102.723-119.998 4.368 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -100.969-118.867 6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -99.682-117.996 5.887 1.00 0.00 H new ATOM 612 N PRO A 74 -103.271-115.824 6.798 1.00 0.00 N ATOM 613 CA PRO A 74 -102.489-114.657 7.241 1.00 0.00 C ATOM 614 C PRO A 74 -101.067-114.586 6.661 1.00 0.00 C ATOM 615 O PRO A 74 -100.496-115.611 6.305 1.00 0.00 O ATOM 616 CB PRO A 74 -102.491-114.806 8.775 1.00 0.00 C ATOM 617 CG PRO A 74 -102.577-116.314 9.014 1.00 0.00 C ATOM 618 CD PRO A 74 -103.492-116.782 7.882 1.00 0.00 C ATOM 0 HA PRO A 74 -102.925-113.722 6.889 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -101.587-114.385 9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -103.337-114.284 9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -101.597-116.788 8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -102.994-116.546 9.994 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -103.246-117.797 7.569 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -104.536-116.790 8.196 1.00 0.00 H new ATOM 626 N ILE A 75 -100.444-113.376 6.569 1.00 0.00 N ATOM 627 CA ILE A 75 -99.056-113.188 6.092 1.00 0.00 C ATOM 628 C ILE A 75 -98.000-113.850 6.998 1.00 0.00 C ATOM 629 O ILE A 75 -97.760-113.435 8.132 1.00 0.00 O ATOM 630 CB ILE A 75 -98.667-111.717 5.818 1.00 0.00 C ATOM 631 CG1 ILE A 75 -98.872-110.757 7.030 1.00 0.00 C ATOM 632 CG2 ILE A 75 -99.413-111.275 4.534 1.00 0.00 C ATOM 633 CD1 ILE A 75 -98.301-109.356 6.795 1.00 0.00 C ATOM 0 H ILE A 75 -100.901-112.502 6.828 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.055-113.705 5.132 1.00 0.00 H new ATOM 0 HB ILE A 75 -97.590-111.654 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -99.938-110.676 7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -98.401-111.191 7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -99.163-110.239 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -99.113-111.911 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -100.488-111.364 4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -98.477-108.739 7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -97.229-109.426 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -98.790-108.904 5.932 1.00 0.00 H new ATOM 894 N GLY A 91 -101.975-108.332 7.513 1.00 0.00 N ATOM 895 CA GLY A 91 -101.915-108.738 6.111 1.00 0.00 C ATOM 896 C GLY A 91 -102.468-110.099 5.888 1.00 0.00 C ATOM 897 O GLY A 91 -102.269-111.025 6.682 1.00 0.00 O ATOM 0 HA2 GLY A 91 -102.468-108.021 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.879-108.710 5.772 1.00 0.00 H new ATOM 901 N TYR A 92 -103.160-110.268 4.736 1.00 0.00 N ATOM 902 CA TYR A 92 -103.789-111.514 4.365 1.00 0.00 C ATOM 903 C TYR A 92 -103.506-111.846 2.914 1.00 0.00 C ATOM 904 O TYR A 92 -103.674-111.031 2.003 1.00 0.00 O ATOM 905 CB TYR A 92 -105.319-111.509 4.670 1.00 0.00 C ATOM 906 CG TYR A 92 -105.525-112.063 6.062 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.395-111.354 7.240 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.793-113.401 6.160 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.547-111.993 8.462 1.00 0.00 C ATOM 910 CE2 TYR A 92 -106.057-114.021 7.358 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.911-113.322 8.532 1.00 0.00 C ATOM 912 OH TYR A 92 -106.095-113.944 9.789 1.00 0.00 O ATOM 0 H TYR A 92 -103.286-109.526 4.048 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.353-112.301 4.980 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.717-110.497 4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.855-112.113 3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -105.174-110.297 7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -105.797-113.995 5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.377-111.441 9.374 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.378-115.052 7.376 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.351-114.881 9.656 1.00 0.00 H new ATOM 922 N ASN A 93 -103.105-113.138 2.722 1.00 0.00 N ATOM 923 CA ASN A 93 -102.852-113.842 1.469 1.00 0.00 C ATOM 924 C ASN A 93 -104.112-114.664 1.217 1.00 0.00 C ATOM 925 O ASN A 93 -104.531-115.480 2.038 1.00 0.00 O ATOM 926 CB ASN A 93 -101.647-114.823 1.576 1.00 0.00 C ATOM 927 CG ASN A 93 -100.329-114.073 1.778 1.00 0.00 C ATOM 928 OD1 ASN A 93 -100.135-112.948 1.308 1.00 0.00 O ATOM 929 ND2 ASN A 93 -99.372-114.759 2.457 1.00 0.00 N ATOM 0 H ASN A 93 -102.942-113.749 3.523 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.618-113.130 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -101.808-115.509 2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.588-115.428 0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -98.450-114.346 2.595 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -99.576-115.687 2.828 1.00 0.00 H new ATOM 936 N ILE A 94 -104.795-114.418 0.076 1.00 0.00 N ATOM 937 CA ILE A 94 -106.110-115.002 -0.197 1.00 0.00 C ATOM 938 C ILE A 94 -106.312-115.250 -1.678 1.00 0.00 C ATOM 939 O ILE A 94 -105.947-114.435 -2.535 1.00 0.00 O ATOM 940 CB ILE A 94 -107.302-114.170 0.407 1.00 0.00 C ATOM 941 CG1 ILE A 94 -108.576-113.888 -0.431 1.00 0.00 C ATOM 942 CG2 ILE A 94 -106.839-112.854 1.075 1.00 0.00 C ATOM 943 CD1 ILE A 94 -109.617-115.005 -0.469 1.00 0.00 C ATOM 0 H ILE A 94 -104.447-113.814 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.119-115.964 0.316 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.647-114.910 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -109.052-112.989 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -108.272-113.668 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -107.704-112.324 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -106.148-113.081 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -106.338-112.228 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -110.462-114.694 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -109.170-115.904 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -109.963-115.215 0.543 1.00 0.00 H new ATOM 955 N TYR A 95 -107.017-116.372 -2.012 1.00 0.00 N ATOM 956 CA TYR A 95 -107.622-116.567 -3.328 1.00 0.00 C ATOM 957 C TYR A 95 -109.070-117.046 -3.148 1.00 0.00 C ATOM 958 O TYR A 95 -109.411-117.740 -2.180 1.00 0.00 O ATOM 959 CB TYR A 95 -106.774-117.302 -4.416 1.00 0.00 C ATOM 960 CG TYR A 95 -106.865-118.796 -4.386 1.00 0.00 C ATOM 961 CD1 TYR A 95 -107.949-119.437 -4.960 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.922-119.539 -3.721 1.00 0.00 C ATOM 963 CE1 TYR A 95 -108.147-120.787 -4.778 1.00 0.00 C ATOM 964 CE2 TYR A 95 -106.083-120.900 -3.613 1.00 0.00 C ATOM 965 CZ TYR A 95 -107.202-121.532 -4.114 1.00 0.00 C ATOM 966 OH TYR A 95 -107.395-122.920 -3.933 1.00 0.00 O ATOM 0 H TYR A 95 -107.170-117.149 -1.369 1.00 0.00 H new ATOM 0 HA TYR A 95 -107.643-115.591 -3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -107.091-116.953 -5.399 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -105.729-117.014 -4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -108.648-118.871 -5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -105.059-119.058 -3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -109.042-121.259 -5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -105.318-121.486 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 95 -106.633-123.295 -3.445 1.00 0.00 H new ATOM 976 N THR A 96 -109.932-116.642 -4.116 1.00 0.00 N ATOM 977 CA THR A 96 -111.325-117.039 -4.266 1.00 0.00 C ATOM 978 C THR A 96 -111.514-117.212 -5.767 1.00 0.00 C ATOM 979 O THR A 96 -110.658-116.711 -6.501 1.00 0.00 O ATOM 980 CB THR A 96 -112.286-115.977 -3.672 1.00 0.00 C ATOM 981 OG1 THR A 96 -113.659-116.352 -3.692 1.00 0.00 O ATOM 982 CG2 THR A 96 -112.189-114.605 -4.344 1.00 0.00 C ATOM 0 H THR A 96 -109.640-115.993 -4.847 1.00 0.00 H new ATOM 0 HA THR A 96 -111.556-117.956 -3.723 1.00 0.00 H new ATOM 0 HB THR A 96 -111.939-115.913 -2.641 1.00 0.00 H new ATOM 0 HG1 THR A 96 -114.006-116.274 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 96 -112.892-113.918 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 96 -111.176-114.218 -4.236 1.00 0.00 H new ATOM 0 HG23 THR A 96 -112.430-114.701 -5.403 1.00 0.00 H new ATOM 990 N PRO A 97 -112.556-117.885 -6.329 1.00 0.00 N ATOM 991 CA PRO A 97 -112.994-117.679 -7.723 1.00 0.00 C ATOM 992 C PRO A 97 -113.641-116.267 -7.875 1.00 0.00 C ATOM 993 O PRO A 97 -114.279-115.789 -6.934 1.00 0.00 O ATOM 994 CB PRO A 97 -114.012-118.820 -7.940 1.00 0.00 C ATOM 995 CG PRO A 97 -114.628-119.045 -6.556 1.00 0.00 C ATOM 996 CD PRO A 97 -113.430-118.827 -5.627 1.00 0.00 C ATOM 0 HA PRO A 97 -112.188-117.706 -8.456 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -114.770-118.543 -8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -113.525-119.722 -8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -115.435-118.342 -6.351 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -115.045-120.047 -6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -113.748-118.425 -4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.914-119.766 -5.426 1.00 0.00 H new ATOM 1004 N TYR A 98 -113.394-115.612 -9.036 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.674-114.285 -9.609 1.00 0.00 C ATOM 1006 C TYR A 98 -114.239-113.067 -8.843 1.00 0.00 C ATOM 1007 O TYR A 98 -114.726-112.106 -9.434 1.00 0.00 O ATOM 1008 CB TYR A 98 -114.379-114.477 -10.983 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.846-113.553 -12.056 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -112.497-113.501 -12.377 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -114.723-112.738 -12.747 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -112.055-112.696 -13.404 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -114.276-111.903 -13.749 1.00 0.00 C ATOM 1014 CZ TYR A 98 -112.943-111.906 -14.095 1.00 0.00 C ATOM 1015 OH TYR A 98 -112.486-111.122 -15.170 1.00 0.00 O ATOM 0 H TYR A 98 -112.875-116.136 -9.741 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.654-113.901 -9.612 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -114.255-115.510 -11.307 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -115.449-114.306 -10.863 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.789-114.095 -11.818 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -115.774-112.756 -12.498 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -111.008-112.686 -13.667 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -114.968-111.250 -14.260 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.237-110.623 -15.553 1.00 0.00 H new ATOM 1025 N ASP A 99 -114.128-113.059 -7.501 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.526-111.975 -6.599 1.00 0.00 C ATOM 1027 C ASP A 99 -113.288-111.209 -6.130 1.00 0.00 C ATOM 1028 O ASP A 99 -112.299-111.813 -5.714 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.310-112.493 -5.362 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.597-113.185 -5.820 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -117.468-112.486 -6.403 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.725-114.417 -5.589 1.00 0.00 O ATOM 0 H ASP A 99 -113.737-113.854 -6.995 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.189-111.316 -7.160 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.693-113.190 -4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.549-111.663 -4.697 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.321-109.847 -6.211 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.221-108.924 -5.908 1.00 0.00 C ATOM 1039 C ASP A 100 -112.409-108.147 -4.607 1.00 0.00 C ATOM 1040 O ASP A 100 -111.893-107.041 -4.450 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.041-107.896 -7.069 1.00 0.00 C ATOM 1042 CG ASP A 100 -111.560-108.610 -8.333 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -110.355-108.980 -8.372 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -112.380-108.785 -9.274 1.00 0.00 O ATOM 0 H ASP A 100 -114.164-109.353 -6.505 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.338-109.552 -5.794 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -112.985-107.389 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.322-107.130 -6.779 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.143-108.721 -3.616 1.00 0.00 N ATOM 1050 CA ARG A 101 -113.411-108.097 -2.319 1.00 0.00 C ATOM 1051 C ARG A 101 -112.513-108.630 -1.205 1.00 0.00 C ATOM 1052 O ARG A 101 -112.194-107.878 -0.295 1.00 0.00 O ATOM 1053 CB ARG A 101 -114.916-108.117 -1.984 1.00 0.00 C ATOM 1054 CG ARG A 101 -115.792-107.423 -3.047 1.00 0.00 C ATOM 1055 CD ARG A 101 -115.507-105.922 -3.223 1.00 0.00 C ATOM 1056 NE ARG A 101 -116.485-105.334 -4.206 1.00 0.00 N ATOM 1057 CZ ARG A 101 -116.298-105.333 -5.564 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -115.176-105.874 -6.123 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -117.251-104.779 -6.370 1.00 0.00 N ATOM 0 H ARG A 101 -113.566-109.645 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 101 -113.138-107.045 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.242-109.151 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -115.072-107.630 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -115.645-107.923 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -116.840-107.552 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -115.589-105.411 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -114.487-105.774 -3.577 1.00 0.00 H new ATOM 0 HE ARG A 101 -117.338-104.911 -3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -114.459-106.289 -5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -115.055-105.864 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -118.091-104.371 -5.960 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -117.122-104.773 -7.382 1.00 0.00 H new ATOM 1073 N ILE A 102 -112.025-109.913 -1.310 1.00 0.00 N ATOM 1074 CA ILE A 102 -110.995-110.695 -0.649 1.00 0.00 C ATOM 1075 C ILE A 102 -110.289-110.122 0.562 1.00 0.00 C ATOM 1076 O ILE A 102 -110.675-110.427 1.684 1.00 0.00 O ATOM 1077 CB ILE A 102 -110.117-111.235 -1.786 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -109.703-110.252 -2.924 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -110.925-112.398 -2.385 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -109.263-110.961 -4.223 1.00 0.00 C ATOM 0 H ILE A 102 -112.460-110.510 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 102 -111.464-111.500 -0.084 1.00 0.00 H new ATOM 0 HB ILE A 102 -109.154-111.496 -1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -110.542-109.592 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -108.887-109.622 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -110.367-112.843 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -111.102-113.152 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -111.880-112.025 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -108.990-110.216 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -108.404-111.599 -4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -110.084-111.569 -4.602 1.00 0.00 H new ATOM 1092 N ASP A 103 -109.335-109.205 0.324 1.00 0.00 N ATOM 1093 CA ASP A 103 -108.828-108.222 1.276 1.00 0.00 C ATOM 1094 C ASP A 103 -108.844-106.903 0.487 1.00 0.00 C ATOM 1095 O ASP A 103 -108.154-106.766 -0.513 1.00 0.00 O ATOM 1096 CB ASP A 103 -107.498-108.545 2.031 1.00 0.00 C ATOM 1097 CG ASP A 103 -106.277-108.857 1.168 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -106.304-109.894 0.465 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -105.289-108.082 1.229 1.00 0.00 O ATOM 0 H ASP A 103 -108.879-109.132 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 103 -109.466-108.193 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -107.255-107.696 2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -107.677-109.397 2.687 1.00 0.00 H new ATOM 1104 N LYS A 104 -109.693-105.916 0.868 1.00 0.00 N ATOM 1105 CA LYS A 104 -109.895-104.674 0.124 1.00 0.00 C ATOM 1106 C LYS A 104 -110.075-103.467 1.037 1.00 0.00 C ATOM 1107 O LYS A 104 -109.184-102.627 1.087 1.00 0.00 O ATOM 1108 CB LYS A 104 -111.059-104.808 -0.894 1.00 0.00 C ATOM 1109 CG LYS A 104 -111.122-103.675 -1.935 1.00 0.00 C ATOM 1110 CD LYS A 104 -112.298-103.814 -2.912 1.00 0.00 C ATOM 1111 CE LYS A 104 -112.399-102.640 -3.894 1.00 0.00 C ATOM 1112 NZ LYS A 104 -113.558-102.807 -4.801 1.00 0.00 N ATOM 0 H LYS A 104 -110.259-105.974 1.715 1.00 0.00 H new ATOM 0 HA LYS A 104 -108.981-104.494 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -110.963-105.760 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -112.002-104.838 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -111.200-102.719 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -110.190-103.657 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -112.190-104.742 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -113.227-103.889 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -112.497-101.706 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -111.482-102.570 -4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -113.605-102.001 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -113.450-103.688 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -114.433-102.850 -4.241 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.217-103.332 1.769 1.00 0.00 N ATOM 1127 CA LYS A 105 -111.516-102.222 2.697 1.00 0.00 C ATOM 1128 C LYS A 105 -112.825-102.559 3.418 1.00 0.00 C ATOM 1129 O LYS A 105 -113.823-101.836 3.364 1.00 0.00 O ATOM 1130 CB LYS A 105 -111.601-100.826 1.991 1.00 0.00 C ATOM 1131 CG LYS A 105 -112.579-100.720 0.797 1.00 0.00 C ATOM 1132 CD LYS A 105 -112.340 -99.477 -0.078 1.00 0.00 C ATOM 1133 CE LYS A 105 -112.650 -98.153 0.636 1.00 0.00 C ATOM 1134 NZ LYS A 105 -112.438 -97.000 -0.270 1.00 0.00 N ATOM 0 H LYS A 105 -111.972-104.017 1.722 1.00 0.00 H new ATOM 0 HA LYS A 105 -110.693-102.129 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -111.888-100.083 2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -110.604-100.558 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.486-101.614 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -113.601-100.699 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -111.301 -99.468 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -112.956 -99.550 -0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -113.681 -98.158 0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -112.013 -98.052 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -112.654 -96.117 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -111.447 -96.985 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -113.064 -97.088 -1.096 1.00 0.00 H new ATOM 1148 N MET A 106 -112.857-103.770 4.040 1.00 0.00 N ATOM 1149 CA MET A 106 -114.094-104.419 4.530 1.00 0.00 C ATOM 1150 C MET A 106 -113.755-105.448 5.634 1.00 0.00 C ATOM 1151 O MET A 106 -112.788-105.271 6.385 1.00 0.00 O ATOM 1152 CB MET A 106 -114.932-105.102 3.384 1.00 0.00 C ATOM 1153 CG MET A 106 -115.115-104.365 2.037 1.00 0.00 C ATOM 1154 SD MET A 106 -116.108-105.275 0.827 1.00 0.00 S ATOM 1155 CE MET A 106 -116.524-103.770 -0.103 1.00 0.00 C ATOM 0 H MET A 106 -112.017-104.322 4.214 1.00 0.00 H new ATOM 0 HA MET A 106 -114.720-103.628 4.943 1.00 0.00 H new ATOM 0 HB2 MET A 106 -114.469-106.065 3.170 1.00 0.00 H new ATOM 0 HB3 MET A 106 -115.926-105.307 3.783 1.00 0.00 H new ATOM 0 HG2 MET A 106 -115.585-103.399 2.224 1.00 0.00 H new ATOM 0 HG3 MET A 106 -114.133-104.164 1.608 1.00 0.00 H new ATOM 0 HE1 MET A 106 -117.145-104.032 -0.960 1.00 0.00 H new ATOM 0 HE2 MET A 106 -117.069-103.082 0.543 1.00 0.00 H new ATOM 0 HE3 MET A 106 -115.608-103.292 -0.451 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.544-106.571 5.755 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.333-107.621 6.745 1.00 0.00 C ATOM 1167 C ARG A 107 -114.518-109.028 6.133 1.00 0.00 C ATOM 1168 O ARG A 107 -115.097-109.218 5.062 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.350-107.394 7.908 1.00 0.00 C ATOM 1170 CG ARG A 107 -114.919-107.893 9.296 1.00 0.00 C ATOM 1171 CD ARG A 107 -114.008-106.882 10.011 1.00 0.00 C ATOM 1172 NE ARG A 107 -113.522-107.464 11.312 1.00 0.00 N ATOM 1173 CZ ARG A 107 -114.173-107.323 12.509 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -115.372-106.676 12.590 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -113.605-107.835 13.640 1.00 0.00 N ATOM 0 H ARG A 107 -115.345-106.747 5.148 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.309-107.571 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.558-106.326 7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.287-107.884 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -115.803-108.079 9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -114.396-108.844 9.194 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -113.159-106.630 9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -114.552-105.956 10.197 1.00 0.00 H new ATOM 0 HE ARG A 107 -112.653-107.997 11.301 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -115.799-106.287 11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -115.841-106.582 13.491 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -112.707-108.315 13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -114.079-107.737 14.538 1.00 0.00 H new ATOM 1189 N VAL A 108 -114.035-110.092 6.819 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.258-111.486 6.433 1.00 0.00 C ATOM 1191 C VAL A 108 -114.288-112.327 7.686 1.00 0.00 C ATOM 1192 O VAL A 108 -113.633-112.019 8.691 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.235-112.042 5.423 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -111.803-112.095 5.977 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.614-113.400 4.791 1.00 0.00 C ATOM 0 H VAL A 108 -113.474-109.993 7.665 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.212-111.527 5.907 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.266-111.308 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -111.133-112.496 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -111.481-111.090 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -111.777-112.737 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.834-113.708 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.718-114.150 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -114.559-113.301 4.256 1.00 0.00 H new ATOM 1205 N ILE A 109 -115.037-113.456 7.622 1.00 0.00 N ATOM 1206 CA ILE A 109 -115.070-114.484 8.623 1.00 0.00 C ATOM 1207 C ILE A 109 -114.424-115.681 7.932 1.00 0.00 C ATOM 1208 O ILE A 109 -115.042-116.366 7.107 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.518-114.820 9.026 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -117.326-113.554 9.408 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.506-115.854 10.179 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.833-113.812 9.534 1.00 0.00 C ATOM 0 H ILE A 109 -115.648-113.657 6.831 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.560-114.188 9.540 1.00 0.00 H new ATOM 0 HB ILE A 109 -117.023-115.255 8.163 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.951-113.164 10.354 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -117.158-112.783 8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.531-116.092 10.465 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -116.001-116.762 9.848 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.978-115.437 11.036 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -119.340-112.885 9.803 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -119.221-114.174 8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -119.011-114.560 10.306 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.166-115.988 8.334 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.398-117.141 7.950 1.00 0.00 C ATOM 1226 C TYR A 110 -112.560-118.200 9.058 1.00 0.00 C ATOM 1227 O TYR A 110 -111.916-118.114 10.097 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.944-116.613 7.760 1.00 0.00 C ATOM 1229 CG TYR A 110 -109.945-117.701 7.526 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -109.905-118.387 6.330 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.108-118.071 8.556 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.013-119.425 6.164 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -108.244-119.126 8.404 1.00 0.00 C ATOM 1234 CZ TYR A 110 -108.191-119.810 7.211 1.00 0.00 C ATOM 1235 OH TYR A 110 -107.295-120.899 7.143 1.00 0.00 O ATOM 0 H TYR A 110 -112.652-115.383 8.974 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.712-117.626 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.923-115.923 6.917 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.653-116.046 8.644 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -110.571-118.112 5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -109.132-117.527 9.489 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -108.955-119.939 5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -107.604-119.420 9.223 1.00 0.00 H new ATOM 0 HH TYR A 110 -107.488-121.432 6.343 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.453-119.216 8.867 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.756-120.343 9.778 1.00 0.00 C ATOM 1247 C ARG A 111 -114.164-120.010 11.228 1.00 0.00 C ATOM 1248 O ARG A 111 -113.834-120.724 12.173 1.00 0.00 O ATOM 1249 CB ARG A 111 -112.591-121.380 9.825 1.00 0.00 C ATOM 1250 CG ARG A 111 -112.055-121.833 8.457 1.00 0.00 C ATOM 1251 CD ARG A 111 -113.105-122.426 7.507 1.00 0.00 C ATOM 1252 NE ARG A 111 -113.701-123.661 8.124 1.00 0.00 N ATOM 1253 CZ ARG A 111 -114.503-124.528 7.431 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -114.791-124.316 6.115 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -115.017-125.621 8.067 1.00 0.00 N ATOM 0 H ARG A 111 -114.012-119.265 8.015 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.654-120.752 9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -111.767-120.950 10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -112.932-122.259 10.372 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -111.587-120.979 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -111.274-122.576 8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -113.887-121.693 7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -112.647-122.671 6.549 1.00 0.00 H new ATOM 0 HE ARG A 111 -113.499-123.862 9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -114.407-123.503 5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -115.390-124.971 5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -114.803-125.786 9.050 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -115.615-126.272 7.559 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.861-118.859 11.425 1.00 0.00 N ATOM 1270 CA GLY A 112 -115.186-118.273 12.729 1.00 0.00 C ATOM 1271 C GLY A 112 -114.183-117.256 13.237 1.00 0.00 C ATOM 1272 O GLY A 112 -114.402-116.643 14.277 1.00 0.00 O ATOM 0 H GLY A 112 -115.218-118.305 10.647 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -116.164-117.796 12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -115.271-119.076 13.461 1.00 0.00 H new ATOM 1276 N LYS A 113 -113.050-117.035 12.514 1.00 0.00 N ATOM 1277 CA LYS A 113 -112.017-116.065 12.855 1.00 0.00 C ATOM 1278 C LYS A 113 -112.316-114.761 12.121 1.00 0.00 C ATOM 1279 O LYS A 113 -112.288-114.693 10.890 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.601-116.632 12.527 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.409-116.057 13.322 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.849-114.715 12.819 1.00 0.00 C ATOM 1283 CE LYS A 113 -107.549-114.305 13.527 1.00 0.00 C ATOM 1284 NZ LYS A 113 -107.045-113.013 13.007 1.00 0.00 N ATOM 0 H LYS A 113 -112.842-117.550 11.658 1.00 0.00 H new ATOM 0 HA LYS A 113 -112.020-115.863 13.926 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.624-117.710 12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -110.409-116.470 11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -109.716-115.934 14.361 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -108.603-116.791 13.313 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -108.667-114.783 11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -109.598-113.937 12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -107.725-114.225 14.600 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -106.794-115.078 13.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -106.166-112.759 13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -106.856-113.099 11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -107.758-112.273 13.166 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.628-113.690 12.909 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.965-112.341 12.463 1.00 0.00 C ATOM 1300 C ILE A 114 -111.692-111.547 12.151 1.00 0.00 C ATOM 1301 O ILE A 114 -110.825-111.330 13.000 1.00 0.00 O ATOM 1302 CB ILE A 114 -113.906-111.631 13.446 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -113.430-111.714 14.922 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -115.318-112.243 13.265 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -114.319-110.917 15.884 1.00 0.00 C ATOM 0 H ILE A 114 -112.647-113.770 13.926 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.527-112.412 11.532 1.00 0.00 H new ATOM 0 HB ILE A 114 -113.916-110.565 13.220 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -113.412-112.758 15.234 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -112.407-111.343 14.990 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -116.014-111.760 13.950 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -115.653-112.089 12.239 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -115.281-113.311 13.478 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -113.935-111.014 16.899 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -114.318-109.866 15.595 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -115.337-111.303 15.843 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.550-111.173 10.848 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.377-110.558 10.237 1.00 0.00 C ATOM 1319 C VAL A 115 -110.739-109.203 9.643 1.00 0.00 C ATOM 1320 O VAL A 115 -111.677-109.099 8.846 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.831-111.485 9.134 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.654-110.870 8.340 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -109.370-112.822 9.755 1.00 0.00 C ATOM 0 H VAL A 115 -112.303-111.308 10.174 1.00 0.00 H new ATOM 0 HA VAL A 115 -109.613-110.409 11.000 1.00 0.00 H new ATOM 0 HB VAL A 115 -110.650-111.640 8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -108.319-111.576 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.982-109.948 7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -107.831-110.652 9.020 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.985-113.474 8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -108.585-112.632 10.487 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -110.214-113.305 10.246 1.00 0.00 H new ATOM 1333 N THR A 116 -109.947-108.153 10.018 1.00 0.00 N ATOM 1334 CA THR A 116 -109.954-106.749 9.607 1.00 0.00 C ATOM 1335 C THR A 116 -109.103-106.558 8.356 1.00 0.00 C ATOM 1336 O THR A 116 -107.897-106.808 8.400 1.00 0.00 O ATOM 1337 CB THR A 116 -109.374-105.893 10.748 1.00 0.00 C ATOM 1338 OG1 THR A 116 -108.198-106.475 11.326 1.00 0.00 O ATOM 1339 CG2 THR A 116 -110.436-105.816 11.855 1.00 0.00 C ATOM 0 H THR A 116 -109.205-108.311 10.699 1.00 0.00 H new ATOM 0 HA THR A 116 -110.978-106.446 9.387 1.00 0.00 H new ATOM 0 HB THR A 116 -109.109-104.918 10.339 1.00 0.00 H new ATOM 0 HG1 THR A 116 -107.614-106.808 10.613 1.00 0.00 H new ATOM 0 HG21 THR A 116 -110.057-105.215 12.682 1.00 0.00 H new ATOM 0 HG22 THR A 116 -111.342-105.358 11.459 1.00 0.00 H new ATOM 0 HG23 THR A 116 -110.664-106.821 12.211 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.688-106.128 7.192 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.913-106.102 5.944 1.00 0.00 C ATOM 1349 C PHE A 117 -108.793-104.811 5.118 1.00 0.00 C ATOM 1350 O PHE A 117 -109.726-104.004 5.019 1.00 0.00 O ATOM 1351 CB PHE A 117 -109.286-107.353 5.074 1.00 0.00 C ATOM 1352 CG PHE A 117 -110.631-107.455 4.368 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -111.118-106.485 3.505 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -111.279-108.679 4.353 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -112.162-106.725 2.644 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -112.333-108.910 3.495 1.00 0.00 C ATOM 1357 CZ PHE A 117 -112.787-107.938 2.649 1.00 0.00 C ATOM 0 H PHE A 117 -110.654-105.811 7.109 1.00 0.00 H new ATOM 0 HA PHE A 117 -107.886-106.139 6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -108.517-107.447 4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -109.200-108.226 5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.661-105.507 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -110.954-109.462 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -112.488-105.953 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -112.810-109.879 3.492 1.00 0.00 H new ATOM 0 HZ PHE A 117 -113.626-108.126 1.996 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.613-104.730 4.423 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.165-103.762 3.431 1.00 0.00 C ATOM 1369 C ILE A 118 -106.317-104.561 2.415 1.00 0.00 C ATOM 1370 O ILE A 118 -105.712-105.561 2.798 1.00 0.00 O ATOM 1371 CB ILE A 118 -106.434-102.572 4.066 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -105.988-101.508 3.029 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -105.277-103.052 4.970 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -105.601-100.166 3.658 1.00 0.00 C ATOM 0 H ILE A 118 -106.890-105.432 4.581 1.00 0.00 H new ATOM 0 HA ILE A 118 -108.003-103.288 2.920 1.00 0.00 H new ATOM 0 HB ILE A 118 -107.153-102.058 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -105.139-101.895 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -106.796-101.346 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -104.775-102.189 5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -105.674-103.683 5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -104.564-103.623 4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -105.300 -99.470 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -106.455 -99.757 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -104.772-100.314 4.350 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.266-104.174 1.103 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.471-104.869 0.084 1.00 0.00 C ATOM 1388 C GLY A 119 -105.687-104.324 -1.316 1.00 0.00 C ATOM 1389 O GLY A 119 -106.408-103.343 -1.493 1.00 0.00 O ATOM 0 H GLY A 119 -106.780-103.371 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.414-104.789 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -105.722-105.930 0.097 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.062-104.961 -2.350 1.00 0.00 N ATOM 1394 CA ASP A 120 -105.174-104.581 -3.763 1.00 0.00 C ATOM 1395 C ASP A 120 -105.168-105.889 -4.562 1.00 0.00 C ATOM 1396 O ASP A 120 -104.187-106.614 -4.395 1.00 0.00 O ATOM 1397 CB ASP A 120 -103.973-103.713 -4.257 1.00 0.00 C ATOM 1398 CG ASP A 120 -103.967-102.345 -3.568 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -104.936-101.569 -3.784 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -102.993-102.060 -2.821 1.00 0.00 O ATOM 0 H ASP A 120 -104.457-105.769 -2.205 1.00 0.00 H new ATOM 0 HA ASP A 120 -106.079-103.988 -3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -103.036-104.232 -4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -104.035-103.580 -5.337 1.00 0.00 H new ATOM 1405 N PRO A 121 -106.164-106.301 -5.377 1.00 0.00 N ATOM 1406 CA PRO A 121 -106.208-107.589 -6.081 1.00 0.00 C ATOM 1407 C PRO A 121 -105.663-107.530 -7.516 1.00 0.00 C ATOM 1408 O PRO A 121 -105.634-106.474 -8.144 1.00 0.00 O ATOM 1409 CB PRO A 121 -107.725-107.875 -6.105 1.00 0.00 C ATOM 1410 CG PRO A 121 -108.389-106.501 -6.250 1.00 0.00 C ATOM 1411 CD PRO A 121 -107.426-105.564 -5.512 1.00 0.00 C ATOM 0 HA PRO A 121 -105.590-108.344 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -107.989-108.530 -6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.047-108.374 -5.191 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -108.503-106.218 -7.296 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -109.384-106.486 -5.806 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -107.279-104.639 -6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -107.823-105.288 -4.535 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.266-108.713 -8.065 1.00 0.00 N ATOM 1420 CA VAL A 122 -104.860-108.904 -9.459 1.00 0.00 C ATOM 1421 C VAL A 122 -105.712-110.039 -10.040 1.00 0.00 C ATOM 1422 O VAL A 122 -105.989-111.042 -9.376 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.360-109.171 -9.658 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -102.583-107.857 -9.406 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -102.847-110.309 -8.748 1.00 0.00 C ATOM 0 H VAL A 122 -105.224-109.575 -7.522 1.00 0.00 H new ATOM 0 HA VAL A 122 -105.031-107.967 -9.989 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.195-109.504 -10.683 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -101.516-108.033 -9.544 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -102.919-107.095 -10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -102.766-107.516 -8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -101.782-110.463 -8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -103.008-110.041 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.388-111.228 -8.974 1.00 0.00 H new ATOM 1435 N ASP A 123 -106.165-109.907 -11.320 1.00 0.00 N ATOM 1436 CA ASP A 123 -106.967-110.916 -12.028 1.00 0.00 C ATOM 1437 C ASP A 123 -106.140-111.752 -13.021 1.00 0.00 C ATOM 1438 O ASP A 123 -105.331-111.245 -13.794 1.00 0.00 O ATOM 1439 CB ASP A 123 -108.245-110.318 -12.708 1.00 0.00 C ATOM 1440 CG ASP A 123 -107.968-109.204 -13.731 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -107.519-108.103 -13.315 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -108.218-109.445 -14.942 1.00 0.00 O ATOM 0 H ASP A 123 -105.974-109.080 -11.886 1.00 0.00 H new ATOM 0 HA ASP A 123 -107.314-111.598 -11.251 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -108.785-111.123 -13.206 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -108.902-109.925 -11.932 1.00 0.00 H new ATOM 1520 N GLU A 129 -110.968-118.289 -14.199 1.00 0.00 N ATOM 1521 CA GLU A 129 -111.630-117.184 -13.503 1.00 0.00 C ATOM 1522 C GLU A 129 -111.301-117.075 -12.010 1.00 0.00 C ATOM 1523 O GLU A 129 -112.154-117.127 -11.125 1.00 0.00 O ATOM 1524 CB GLU A 129 -113.160-117.291 -13.713 1.00 0.00 C ATOM 1525 CG GLU A 129 -113.565-117.250 -15.198 1.00 0.00 C ATOM 1526 CD GLU A 129 -115.088-117.250 -15.311 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -115.713-118.263 -14.896 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -115.648-116.238 -15.812 1.00 0.00 O ATOM 0 HA GLU A 129 -111.239-116.268 -13.945 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -113.519-118.220 -13.269 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -113.652-116.475 -13.185 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -113.154-116.359 -15.673 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -113.151-118.111 -15.723 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.993-116.916 -11.717 1.00 0.00 N ATOM 1536 CA ILE A 130 -109.439-116.864 -10.384 1.00 0.00 C ATOM 1537 C ILE A 130 -108.876-115.485 -10.085 1.00 0.00 C ATOM 1538 O ILE A 130 -108.068-114.906 -10.820 1.00 0.00 O ATOM 1539 CB ILE A 130 -108.468-118.035 -10.208 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -108.210-118.418 -8.736 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -107.163-117.869 -11.022 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -107.478-119.765 -8.635 1.00 0.00 C ATOM 0 H ILE A 130 -109.283-116.818 -12.443 1.00 0.00 H new ATOM 0 HA ILE A 130 -110.210-116.997 -9.625 1.00 0.00 H new ATOM 0 HB ILE A 130 -108.986-118.892 -10.638 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -107.617-117.641 -8.254 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -109.158-118.474 -8.200 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -106.517-118.731 -10.854 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -107.403-117.796 -12.083 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -106.648-116.963 -10.703 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -107.309-120.010 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -108.085-120.544 -9.096 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -106.520-119.698 -9.150 1.00 0.00 H new ATOM 1554 N THR A 131 -109.325-114.921 -8.932 1.00 0.00 N ATOM 1555 CA THR A 131 -108.901-113.654 -8.350 1.00 0.00 C ATOM 1556 C THR A 131 -108.061-114.024 -7.131 1.00 0.00 C ATOM 1557 O THR A 131 -108.491-114.713 -6.202 1.00 0.00 O ATOM 1558 CB THR A 131 -110.072-112.752 -7.979 1.00 0.00 C ATOM 1559 OG1 THR A 131 -111.166-113.513 -7.483 1.00 0.00 O ATOM 1560 CG2 THR A 131 -110.543-112.028 -9.253 1.00 0.00 C ATOM 0 H THR A 131 -110.036-115.380 -8.362 1.00 0.00 H new ATOM 0 HA THR A 131 -108.330-113.070 -9.072 1.00 0.00 H new ATOM 0 HB THR A 131 -109.745-112.053 -7.210 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.580-113.039 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 131 -111.382-111.376 -9.012 1.00 0.00 H new ATOM 0 HG22 THR A 131 -109.724-111.432 -9.657 1.00 0.00 H new ATOM 0 HG23 THR A 131 -110.857-112.763 -9.994 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.780-113.592 -7.177 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.733-113.900 -6.228 1.00 0.00 C ATOM 1570 C ARG A 132 -105.184-112.579 -5.720 1.00 0.00 C ATOM 1571 O ARG A 132 -105.006-111.629 -6.486 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.617-114.760 -6.895 1.00 0.00 C ATOM 1573 CG ARG A 132 -105.152-115.982 -7.677 1.00 0.00 C ATOM 1574 CD ARG A 132 -104.112-117.083 -7.942 1.00 0.00 C ATOM 1575 NE ARG A 132 -103.739-117.721 -6.628 1.00 0.00 N ATOM 1576 CZ ARG A 132 -103.066-118.910 -6.530 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -102.699-119.602 -7.647 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -102.760-119.409 -5.295 1.00 0.00 N ATOM 0 H ARG A 132 -106.450-112.986 -7.928 1.00 0.00 H new ATOM 0 HA ARG A 132 -106.125-114.488 -5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -104.043-114.129 -7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.929-115.107 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -105.985-116.414 -7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -105.549-115.639 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -104.518-117.831 -8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -103.229-116.661 -8.422 1.00 0.00 H new ATOM 0 HE ARG A 132 -104.002-117.242 -5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -102.925-119.235 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -102.198-120.486 -7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -103.033-118.897 -4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -102.259-120.294 -5.212 1.00 0.00 H new ATOM 1592 N ILE A 133 -104.925-112.461 -4.399 1.00 0.00 N ATOM 1593 CA ILE A 133 -104.474-111.213 -3.806 1.00 0.00 C ATOM 1594 C ILE A 133 -103.410-111.433 -2.734 1.00 0.00 C ATOM 1595 O ILE A 133 -103.462-112.364 -1.928 1.00 0.00 O ATOM 1596 CB ILE A 133 -105.669-110.469 -3.214 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -105.289-109.126 -2.560 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -106.433-111.372 -2.232 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -106.502-108.240 -2.350 1.00 0.00 C ATOM 0 H ILE A 133 -105.026-113.227 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 133 -104.016-110.616 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 133 -106.325-110.218 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -104.804-109.312 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -104.564-108.608 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -107.281-110.825 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -106.792-112.258 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -105.768-111.674 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -106.192-107.303 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -106.971-108.032 -3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -107.215-108.747 -1.700 1.00 0.00 H new