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 125:sc= 1.3 USER MOD Set 1.2: A 110 TYR OH : rot 150:sc= 1.09 USER MOD Set 2.1: A 73 GLN : amide:sc= -0.043 X(o=-0.043,f=-0.2) USER MOD Set 2.2: A 93 ASN : amide:sc= 0 X(o=-0.043,f=-0.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.69) USER MOD Single : A 47 SER OG : rot 153:sc= 0.501 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 71 HIS : no HD1: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 -80:sc= -0.214 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00142) USER MOD Single : A 105 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0289) USER MOD Single : A 106 MET CE :methyl -167:sc= 0 (180deg=-0.0668) USER MOD Single : A 113 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0929) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot -87:sc= 0.0513 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -113.045-124.840 2.303 1.00 0.00 N ATOM 114 CA ASP A 41 -113.869-124.012 3.156 1.00 0.00 C ATOM 115 C ASP A 41 -114.742-123.066 2.344 1.00 0.00 C ATOM 116 O ASP A 41 -114.287-122.399 1.405 1.00 0.00 O ATOM 117 CB ASP A 41 -113.015-123.277 4.245 1.00 0.00 C ATOM 118 CG ASP A 41 -111.801-122.472 3.740 1.00 0.00 C ATOM 119 OD1 ASP A 41 -110.915-123.057 3.062 1.00 0.00 O ATOM 120 OD2 ASP A 41 -111.725-121.259 4.071 1.00 0.00 O ATOM 0 HA ASP A 41 -114.552-124.667 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -113.670-122.599 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.659-124.020 4.958 1.00 0.00 H new ATOM 125 N VAL A 42 -116.043-122.987 2.768 1.00 0.00 N ATOM 126 CA VAL A 42 -117.078-122.064 2.292 1.00 0.00 C ATOM 127 C VAL A 42 -117.257-121.101 3.454 1.00 0.00 C ATOM 128 O VAL A 42 -117.566-121.469 4.586 1.00 0.00 O ATOM 129 CB VAL A 42 -118.393-122.717 1.852 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.150-123.359 0.473 1.00 0.00 C ATOM 131 CG2 VAL A 42 -118.907-123.758 2.865 1.00 0.00 C ATOM 0 H VAL A 42 -116.398-123.610 3.493 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.767-121.578 1.367 1.00 0.00 H new ATOM 0 HB VAL A 42 -119.172-121.956 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.067-123.835 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -117.849-122.590 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -117.361-124.107 0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -119.841-124.188 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -118.165-124.548 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -119.079-123.275 3.827 1.00 0.00 H new ATOM 141 N ILE A 43 -116.941-119.814 3.231 1.00 0.00 N ATOM 142 CA ILE A 43 -116.772-118.831 4.292 1.00 0.00 C ATOM 143 C ILE A 43 -117.654-117.602 4.097 1.00 0.00 C ATOM 144 O ILE A 43 -118.345-117.479 3.083 1.00 0.00 O ATOM 145 CB ILE A 43 -115.293-118.561 4.533 1.00 0.00 C ATOM 146 CG1 ILE A 43 -114.534-118.169 3.251 1.00 0.00 C ATOM 147 CG2 ILE A 43 -114.672-119.785 5.256 1.00 0.00 C ATOM 148 CD1 ILE A 43 -114.007-119.298 2.364 1.00 0.00 C ATOM 0 H ILE A 43 -116.796-119.432 2.296 1.00 0.00 H new ATOM 0 HA ILE A 43 -117.144-119.245 5.229 1.00 0.00 H new ATOM 0 HB ILE A 43 -115.197-117.687 5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -115.195-117.548 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -113.687-117.546 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.612-119.603 5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -115.179-119.941 6.209 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -114.788-120.673 4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -113.496-118.873 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -113.309-119.912 2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -114.840-119.914 2.026 1.00 0.00 H new ATOM 160 N THR A 44 -117.709-116.710 5.134 1.00 0.00 N ATOM 161 CA THR A 44 -118.670-115.601 5.221 1.00 0.00 C ATOM 162 C THR A 44 -117.965-114.254 5.181 1.00 0.00 C ATOM 163 O THR A 44 -117.206-113.909 6.093 1.00 0.00 O ATOM 164 CB THR A 44 -119.497-115.726 6.512 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.840-117.084 6.771 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.816-114.947 6.405 1.00 0.00 C ATOM 0 H THR A 44 -117.075-116.755 5.932 1.00 0.00 H new ATOM 0 HA THR A 44 -119.334-115.658 4.358 1.00 0.00 H new ATOM 0 HB THR A 44 -118.877-115.324 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.364-117.137 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.378-115.054 7.333 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.603-113.892 6.230 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.405-115.340 5.576 1.00 0.00 H new ATOM 174 N PHE A 45 -118.176-113.456 4.098 1.00 0.00 N ATOM 175 CA PHE A 45 -117.485-112.182 3.873 1.00 0.00 C ATOM 176 C PHE A 45 -118.337-110.903 4.065 1.00 0.00 C ATOM 177 O PHE A 45 -119.436-110.796 3.503 1.00 0.00 O ATOM 178 CB PHE A 45 -116.888-112.298 2.446 1.00 0.00 C ATOM 179 CG PHE A 45 -115.965-113.500 2.301 1.00 0.00 C ATOM 180 CD1 PHE A 45 -114.952-113.688 3.211 1.00 0.00 C ATOM 181 CD2 PHE A 45 -116.066-114.431 1.280 1.00 0.00 C ATOM 182 CE1 PHE A 45 -113.962-114.622 3.036 1.00 0.00 C ATOM 183 CE2 PHE A 45 -115.064-115.354 1.066 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.971-115.404 1.907 1.00 0.00 C ATOM 0 H PHE A 45 -118.838-113.692 3.359 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.724-112.041 4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.698-112.375 1.721 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.336-111.388 2.211 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -114.935-113.075 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -116.939-114.434 0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -113.185-114.741 3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -115.135-116.041 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 45 -113.135-116.049 1.681 1.00 0.00 H new ATOM 194 N GLN A 46 -117.825-109.889 4.859 1.00 0.00 N ATOM 195 CA GLN A 46 -118.530-108.680 5.309 1.00 0.00 C ATOM 196 C GLN A 46 -117.894-107.346 4.886 1.00 0.00 C ATOM 197 O GLN A 46 -116.684-107.259 4.658 1.00 0.00 O ATOM 198 CB GLN A 46 -118.522-108.606 6.886 1.00 0.00 C ATOM 199 CG GLN A 46 -118.779-109.926 7.645 1.00 0.00 C ATOM 200 CD GLN A 46 -120.170-110.462 7.357 1.00 0.00 C ATOM 201 OE1 GLN A 46 -120.354-111.521 6.760 1.00 0.00 O ATOM 202 NE2 GLN A 46 -121.204-109.690 7.775 1.00 0.00 N ATOM 0 H GLN A 46 -116.865-109.920 5.203 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.514-108.781 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -117.556-108.214 7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -119.276-107.883 7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -118.034-110.667 7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -118.664-109.761 8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -121.021-108.816 8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -122.164-109.983 7.596 1.00 0.00 H new ATOM 211 N SER A 47 -118.720-106.248 4.900 1.00 0.00 N ATOM 212 CA SER A 47 -118.305-104.856 4.662 1.00 0.00 C ATOM 213 C SER A 47 -119.149-103.902 5.537 1.00 0.00 C ATOM 214 O SER A 47 -120.328-104.154 5.830 1.00 0.00 O ATOM 215 CB SER A 47 -118.514-104.437 3.178 1.00 0.00 C ATOM 216 OG SER A 47 -117.513-105.019 2.351 1.00 0.00 O ATOM 0 H SER A 47 -119.720-106.330 5.085 1.00 0.00 H new ATOM 0 HA SER A 47 -117.246-104.791 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 47 -119.501-104.752 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 47 -118.479-103.351 3.092 1.00 0.00 H new ATOM 0 HG SER A 47 -117.862-105.126 1.441 1.00 0.00 H new ATOM 222 N TYR A 48 -118.553-102.758 5.970 1.00 0.00 N ATOM 223 CA TYR A 48 -119.176-101.726 6.788 1.00 0.00 C ATOM 224 C TYR A 48 -119.249-100.440 5.977 1.00 0.00 C ATOM 225 O TYR A 48 -118.233 -99.961 5.477 1.00 0.00 O ATOM 226 CB TYR A 48 -118.316-101.504 8.078 1.00 0.00 C ATOM 227 CG TYR A 48 -118.966-100.813 9.262 1.00 0.00 C ATOM 228 CD1 TYR A 48 -120.333-100.689 9.439 1.00 0.00 C ATOM 229 CD2 TYR A 48 -118.144-100.376 10.285 1.00 0.00 C ATOM 230 CE1 TYR A 48 -120.861-100.184 10.610 1.00 0.00 C ATOM 231 CE2 TYR A 48 -118.664 -99.874 11.460 1.00 0.00 C ATOM 232 CZ TYR A 48 -120.027 -99.800 11.630 1.00 0.00 C ATOM 233 OH TYR A 48 -120.574 -99.383 12.856 1.00 0.00 O ATOM 0 H TYR A 48 -117.584-102.538 5.739 1.00 0.00 H new ATOM 0 HA TYR A 48 -120.182-102.027 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.962-102.479 8.414 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.436-100.925 7.796 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -120.999-100.993 8.646 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -117.072-100.429 10.161 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -121.931-100.091 10.724 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -118.002 -99.540 12.245 1.00 0.00 H new ATOM 0 HH TYR A 48 -119.851 -99.146 13.473 1.00 0.00 H new ATOM 431 N TRP A 62 -124.101-102.526 8.779 1.00 0.00 N ATOM 432 CA TRP A 62 -123.265-103.695 8.637 1.00 0.00 C ATOM 433 C TRP A 62 -124.030-104.689 7.761 1.00 0.00 C ATOM 434 O TRP A 62 -125.152-105.085 8.076 1.00 0.00 O ATOM 435 CB TRP A 62 -122.968-104.305 10.046 1.00 0.00 C ATOM 436 CG TRP A 62 -121.631-103.920 10.658 1.00 0.00 C ATOM 437 CD1 TRP A 62 -121.309-103.269 11.817 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.391-104.368 10.099 1.00 0.00 C ATOM 439 NE1 TRP A 62 -119.951-103.301 12.016 1.00 0.00 N ATOM 440 CE2 TRP A 62 -119.383-103.978 10.975 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.121-105.057 8.956 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.089-104.281 10.738 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -118.798-105.355 8.703 1.00 0.00 C ATOM 444 CH2 TRP A 62 -117.803-104.985 9.587 1.00 0.00 C ATOM 0 HA TRP A 62 -122.308-103.447 8.178 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -123.761-104.001 10.729 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -123.013-105.391 9.969 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -122.020-102.798 12.480 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -119.452-102.890 12.805 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -120.907-105.357 8.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -117.308-103.984 11.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.536-105.886 7.800 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -116.779-105.253 9.372 1.00 0.00 H new ATOM 455 N VAL A 63 -123.419-105.128 6.627 1.00 0.00 N ATOM 456 CA VAL A 63 -124.026-106.096 5.721 1.00 0.00 C ATOM 457 C VAL A 63 -123.026-107.185 5.411 1.00 0.00 C ATOM 458 O VAL A 63 -121.811-107.012 5.552 1.00 0.00 O ATOM 459 CB VAL A 63 -124.563-105.494 4.407 1.00 0.00 C ATOM 460 CG1 VAL A 63 -125.866-104.735 4.708 1.00 0.00 C ATOM 461 CG2 VAL A 63 -123.542-104.557 3.724 1.00 0.00 C ATOM 0 H VAL A 63 -122.495-104.812 6.331 1.00 0.00 H new ATOM 0 HA VAL A 63 -124.897-106.494 6.241 1.00 0.00 H new ATOM 0 HB VAL A 63 -124.749-106.311 3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -126.257-104.304 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -126.600-105.424 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -125.666-103.939 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -123.971-104.161 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -123.299-103.733 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -122.635-105.115 3.491 1.00 0.00 H new ATOM 471 N ASP A 64 -123.574-108.332 4.918 1.00 0.00 N ATOM 472 CA ASP A 64 -122.872-109.494 4.386 1.00 0.00 C ATOM 473 C ASP A 64 -122.724-109.214 2.899 1.00 0.00 C ATOM 474 O ASP A 64 -123.706-109.125 2.167 1.00 0.00 O ATOM 475 CB ASP A 64 -123.671-110.814 4.653 1.00 0.00 C ATOM 476 CG ASP A 64 -123.025-112.088 4.076 1.00 0.00 C ATOM 477 OD1 ASP A 64 -121.854-112.380 4.434 1.00 0.00 O ATOM 478 OD2 ASP A 64 -123.699-112.775 3.263 1.00 0.00 O ATOM 0 H ASP A 64 -124.586-108.459 4.888 1.00 0.00 H new ATOM 0 HA ASP A 64 -121.904-109.643 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -123.789-110.939 5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -124.671-110.708 4.232 1.00 0.00 H new ATOM 483 N GLU A 65 -121.455-109.056 2.440 1.00 0.00 N ATOM 484 CA GLU A 65 -121.035-108.736 1.081 1.00 0.00 C ATOM 485 C GLU A 65 -121.302-109.874 0.107 1.00 0.00 C ATOM 486 O GLU A 65 -121.871-109.680 -0.968 1.00 0.00 O ATOM 487 CB GLU A 65 -119.517-108.359 1.079 1.00 0.00 C ATOM 488 CG GLU A 65 -118.965-107.691 -0.203 1.00 0.00 C ATOM 489 CD GLU A 65 -119.445-106.252 -0.402 1.00 0.00 C ATOM 490 OE1 GLU A 65 -120.675-106.037 -0.562 1.00 0.00 O ATOM 491 OE2 GLU A 65 -118.572-105.343 -0.427 1.00 0.00 O ATOM 0 H GLU A 65 -120.656-109.159 3.065 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.628-107.887 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.333-107.688 1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -118.942-109.266 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -117.876-107.699 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.259-108.286 -1.068 1.00 0.00 H new ATOM 498 N PHE A 66 -120.886-111.097 0.508 1.00 0.00 N ATOM 499 CA PHE A 66 -121.054-112.292 -0.295 1.00 0.00 C ATOM 500 C PHE A 66 -120.670-113.463 0.586 1.00 0.00 C ATOM 501 O PHE A 66 -120.130-113.313 1.683 1.00 0.00 O ATOM 502 CB PHE A 66 -120.301-112.301 -1.690 1.00 0.00 C ATOM 503 CG PHE A 66 -118.790-112.271 -1.595 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.148-111.202 -1.019 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.022-113.341 -1.995 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.828-111.255 -0.669 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.670-113.379 -1.715 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.079-112.358 -0.988 1.00 0.00 C ATOM 0 H PHE A 66 -120.425-111.265 1.402 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.096-112.348 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.599-113.192 -2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.632-111.440 -2.271 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.702-110.293 -0.837 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.481-114.158 -2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.375-110.429 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.071-114.207 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.047-112.430 -0.678 1.00 0.00 H new ATOM 518 N THR A 67 -120.906-114.691 0.091 1.00 0.00 N ATOM 519 CA THR A 67 -120.540-115.925 0.769 1.00 0.00 C ATOM 520 C THR A 67 -119.890-116.691 -0.353 1.00 0.00 C ATOM 521 O THR A 67 -120.425-116.751 -1.460 1.00 0.00 O ATOM 522 CB THR A 67 -121.731-116.690 1.373 1.00 0.00 C ATOM 523 OG1 THR A 67 -122.938-116.520 0.633 1.00 0.00 O ATOM 524 CG2 THR A 67 -121.975-116.139 2.787 1.00 0.00 C ATOM 0 H THR A 67 -121.365-114.845 -0.807 1.00 0.00 H new ATOM 0 HA THR A 67 -119.908-115.757 1.641 1.00 0.00 H new ATOM 0 HB THR A 67 -121.479-117.751 1.364 1.00 0.00 H new ATOM 0 HG1 THR A 67 -123.658-117.029 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 67 -122.816-116.663 3.242 1.00 0.00 H new ATOM 0 HG22 THR A 67 -121.083-116.288 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.200-115.074 2.729 1.00 0.00 H new ATOM 532 N ALA A 68 -118.707-117.275 -0.110 1.00 0.00 N ATOM 533 CA ALA A 68 -118.005-117.973 -1.184 1.00 0.00 C ATOM 534 C ALA A 68 -117.022-119.009 -0.699 1.00 0.00 C ATOM 535 O ALA A 68 -116.604-119.029 0.457 1.00 0.00 O ATOM 536 CB ALA A 68 -117.276-116.993 -2.142 1.00 0.00 C ATOM 0 H ALA A 68 -118.232-117.277 0.793 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.795-118.493 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.769-117.558 -2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -118.003-116.319 -2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.544-116.413 -1.581 1.00 0.00 H new ATOM 542 N ALA A 69 -116.601-119.902 -1.638 1.00 0.00 N ATOM 543 CA ALA A 69 -115.540-120.888 -1.482 1.00 0.00 C ATOM 544 C ALA A 69 -114.214-120.186 -1.797 1.00 0.00 C ATOM 545 O ALA A 69 -114.029-119.595 -2.862 1.00 0.00 O ATOM 546 CB ALA A 69 -115.767-122.107 -2.407 1.00 0.00 C ATOM 0 H ALA A 69 -117.026-119.940 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.529-121.276 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.959-122.825 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.718-122.579 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.784-121.777 -3.446 1.00 0.00 H new ATOM 552 N ALA A 70 -113.271-120.173 -0.831 1.00 0.00 N ATOM 553 CA ALA A 70 -112.060-119.377 -1.026 1.00 0.00 C ATOM 554 C ALA A 70 -111.043-119.840 -0.024 1.00 0.00 C ATOM 555 O ALA A 70 -111.370-120.542 0.933 1.00 0.00 O ATOM 556 CB ALA A 70 -112.278-117.848 -0.844 1.00 0.00 C ATOM 0 H ALA A 70 -113.325-120.683 0.051 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.734-119.523 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.335-117.324 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.015-117.497 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.636-117.649 0.166 1.00 0.00 H new ATOM 562 N HIS A 71 -109.755-119.463 -0.240 1.00 0.00 N ATOM 563 CA HIS A 71 -108.690-119.824 0.665 1.00 0.00 C ATOM 564 C HIS A 71 -108.104-118.472 1.009 1.00 0.00 C ATOM 565 O HIS A 71 -107.370-117.849 0.244 1.00 0.00 O ATOM 566 CB HIS A 71 -107.586-120.728 0.038 1.00 0.00 C ATOM 567 CG HIS A 71 -106.749-121.487 1.031 1.00 0.00 C ATOM 568 ND1 HIS A 71 -106.427-122.824 0.885 1.00 0.00 N ATOM 569 CD2 HIS A 71 -106.199-121.097 2.213 1.00 0.00 C ATOM 570 CE1 HIS A 71 -105.710-123.170 1.985 1.00 0.00 C ATOM 571 NE2 HIS A 71 -105.550-122.156 2.818 1.00 0.00 N ATOM 0 H HIS A 71 -109.454-118.909 -1.041 1.00 0.00 H new ATOM 0 HA HIS A 71 -109.064-120.413 1.503 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -108.061-121.441 -0.636 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -106.928-120.105 -0.569 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -106.261-120.099 2.621 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -105.316-124.160 2.159 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -105.056-122.156 3.711 1.00 0.00 H new ATOM 579 N VAL A 72 -108.413-118.064 2.238 1.00 0.00 N ATOM 580 CA VAL A 72 -107.971-116.838 2.929 1.00 0.00 C ATOM 581 C VAL A 72 -106.959-117.331 3.984 1.00 0.00 C ATOM 582 O VAL A 72 -107.298-118.107 4.879 1.00 0.00 O ATOM 583 CB VAL A 72 -109.111-115.992 3.586 1.00 0.00 C ATOM 584 CG1 VAL A 72 -108.544-114.947 4.576 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.013-115.124 2.664 1.00 0.00 C ATOM 0 H VAL A 72 -109.028-118.622 2.830 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.546-116.143 2.205 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.708-116.795 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -109.364-114.378 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -107.994-115.456 5.367 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -107.874-114.270 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -110.753-114.599 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -109.398-114.398 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.521-115.765 1.944 1.00 0.00 H new ATOM 595 N GLN A 73 -105.671-116.914 3.891 1.00 0.00 N ATOM 596 CA GLN A 73 -104.631-117.312 4.833 1.00 0.00 C ATOM 597 C GLN A 73 -103.705-116.134 5.130 1.00 0.00 C ATOM 598 O GLN A 73 -103.742-115.180 4.357 1.00 0.00 O ATOM 599 CB GLN A 73 -103.850-118.515 4.246 1.00 0.00 C ATOM 600 CG GLN A 73 -102.877-118.170 3.095 1.00 0.00 C ATOM 601 CD GLN A 73 -102.483-119.418 2.315 1.00 0.00 C ATOM 602 OE1 GLN A 73 -102.484-119.382 1.082 1.00 0.00 O ATOM 603 NE2 GLN A 73 -102.173-120.530 3.025 1.00 0.00 N ATOM 0 H GLN A 73 -105.339-116.292 3.154 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.083-117.617 5.777 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -103.284-118.987 5.049 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -104.567-119.252 3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -103.345-117.450 2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -101.984-117.694 3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -102.188-120.505 4.045 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -101.925-121.392 2.540 1.00 0.00 H new ATOM 612 N PRO A 74 -102.839-116.080 6.179 1.00 0.00 N ATOM 613 CA PRO A 74 -101.864-114.997 6.441 1.00 0.00 C ATOM 614 C PRO A 74 -100.706-114.958 5.408 1.00 0.00 C ATOM 615 O PRO A 74 -100.403-115.995 4.825 1.00 0.00 O ATOM 616 CB PRO A 74 -101.338-115.304 7.872 1.00 0.00 C ATOM 617 CG PRO A 74 -102.319-116.331 8.452 1.00 0.00 C ATOM 618 CD PRO A 74 -102.770-117.104 7.217 1.00 0.00 C ATOM 0 HA PRO A 74 -102.327-114.014 6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -100.324-115.702 7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -101.307-114.401 8.482 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -101.838-116.981 9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -103.157-115.850 8.956 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -102.063-117.892 6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -103.737-117.582 7.374 1.00 0.00 H new ATOM 626 N ILE A 75 -99.992-113.819 5.160 1.00 0.00 N ATOM 627 CA ILE A 75 -98.865-113.681 4.201 1.00 0.00 C ATOM 628 C ILE A 75 -97.528-114.393 4.580 1.00 0.00 C ATOM 629 O ILE A 75 -96.410-113.970 4.276 1.00 0.00 O ATOM 630 CB ILE A 75 -98.705-112.197 3.815 1.00 0.00 C ATOM 631 CG1 ILE A 75 -98.147-111.984 2.385 1.00 0.00 C ATOM 632 CG2 ILE A 75 -97.948-111.370 4.885 1.00 0.00 C ATOM 633 CD1 ILE A 75 -98.434-110.574 1.849 1.00 0.00 C ATOM 0 H ILE A 75 -100.197-112.944 5.642 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.145-114.254 3.317 1.00 0.00 H new ATOM 0 HB ILE A 75 -99.720-111.800 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -97.071-112.156 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -98.586-112.722 1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -97.868-110.334 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -98.493-111.409 5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -96.950-111.784 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -98.023-110.476 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -99.511-110.409 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -97.972-109.835 2.504 1.00 0.00 H new ATOM 894 N GLY A 91 -100.630-109.163 7.723 1.00 0.00 N ATOM 895 CA GLY A 91 -101.063-109.213 6.338 1.00 0.00 C ATOM 896 C GLY A 91 -101.539-110.557 5.905 1.00 0.00 C ATOM 897 O GLY A 91 -101.071-111.600 6.368 1.00 0.00 O ATOM 0 HA2 GLY A 91 -101.865-108.489 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.236-108.907 5.697 1.00 0.00 H new ATOM 901 N TYR A 92 -102.506-110.549 4.952 1.00 0.00 N ATOM 902 CA TYR A 92 -103.100-111.737 4.368 1.00 0.00 C ATOM 903 C TYR A 92 -102.743-111.875 2.911 1.00 0.00 C ATOM 904 O TYR A 92 -102.424-110.940 2.172 1.00 0.00 O ATOM 905 CB TYR A 92 -104.655-111.907 4.525 1.00 0.00 C ATOM 906 CG TYR A 92 -105.014-112.399 5.906 1.00 0.00 C ATOM 907 CD1 TYR A 92 -104.564-111.828 7.082 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.729-113.572 5.997 1.00 0.00 C ATOM 909 CE1 TYR A 92 -104.698-112.504 8.278 1.00 0.00 C ATOM 910 CE2 TYR A 92 -105.917-114.222 7.188 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.394-113.690 8.338 1.00 0.00 C ATOM 912 OH TYR A 92 -105.511-114.393 9.550 1.00 0.00 O ATOM 0 H TYR A 92 -102.891-109.684 4.572 1.00 0.00 H new ATOM 0 HA TYR A 92 -102.659-112.534 4.966 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.149-110.954 4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.024-112.610 3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -104.106-110.850 7.065 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -106.156-113.994 5.099 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -104.253-112.099 9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.473-115.147 7.221 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.458-114.554 9.745 1.00 0.00 H new ATOM 922 N ASN A 93 -102.889-113.146 2.495 1.00 0.00 N ATOM 923 CA ASN A 93 -102.745-113.642 1.155 1.00 0.00 C ATOM 924 C ASN A 93 -104.079-114.333 0.895 1.00 0.00 C ATOM 925 O ASN A 93 -104.474-115.264 1.600 1.00 0.00 O ATOM 926 CB ASN A 93 -101.547-114.633 1.146 1.00 0.00 C ATOM 927 CG ASN A 93 -101.339-115.257 -0.225 1.00 0.00 C ATOM 928 OD1 ASN A 93 -100.922-114.596 -1.179 1.00 0.00 O ATOM 929 ND2 ASN A 93 -101.681-116.570 -0.345 1.00 0.00 N ATOM 0 H ASN A 93 -103.128-113.890 3.150 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.539-112.891 0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -100.640-114.109 1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.721-115.419 1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -101.596-117.039 -1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -102.022-117.084 0.467 1.00 0.00 H new ATOM 936 N ILE A 94 -104.819-113.882 -0.139 1.00 0.00 N ATOM 937 CA ILE A 94 -106.116-114.401 -0.517 1.00 0.00 C ATOM 938 C ILE A 94 -106.028-114.906 -1.944 1.00 0.00 C ATOM 939 O ILE A 94 -105.593-114.174 -2.838 1.00 0.00 O ATOM 940 CB ILE A 94 -107.224-113.323 -0.518 1.00 0.00 C ATOM 941 CG1 ILE A 94 -107.085-112.198 0.548 1.00 0.00 C ATOM 942 CG2 ILE A 94 -108.616-113.997 -0.544 1.00 0.00 C ATOM 943 CD1 ILE A 94 -107.064-112.581 2.024 1.00 0.00 C ATOM 0 H ILE A 94 -104.505-113.122 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.370-115.173 0.210 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.095-112.757 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -106.165-111.654 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -107.909-111.500 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -109.391-113.231 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -108.708-114.607 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -108.731-114.629 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -106.962-111.682 2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -107.993-113.089 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -106.222-113.246 2.215 1.00 0.00 H new ATOM 955 N TYR A 95 -106.547-116.128 -2.218 1.00 0.00 N ATOM 956 CA TYR A 95 -106.805-116.546 -3.589 1.00 0.00 C ATOM 957 C TYR A 95 -108.249-117.066 -3.594 1.00 0.00 C ATOM 958 O TYR A 95 -108.723-117.646 -2.610 1.00 0.00 O ATOM 959 CB TYR A 95 -105.656-117.344 -4.284 1.00 0.00 C ATOM 960 CG TYR A 95 -105.766-118.829 -4.186 1.00 0.00 C ATOM 961 CD1 TYR A 95 -105.363-119.519 -3.059 1.00 0.00 C ATOM 962 CD2 TYR A 95 -106.363-119.505 -5.225 1.00 0.00 C ATOM 963 CE1 TYR A 95 -105.586-120.881 -2.970 1.00 0.00 C ATOM 964 CE2 TYR A 95 -106.599-120.851 -5.127 1.00 0.00 C ATOM 965 CZ TYR A 95 -106.226-121.542 -3.995 1.00 0.00 C ATOM 966 OH TYR A 95 -106.499-122.920 -3.896 1.00 0.00 O ATOM 0 H TYR A 95 -106.787-116.821 -1.509 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.764-115.727 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -105.628-117.066 -5.338 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.706-117.036 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -104.875-118.996 -2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -106.647-118.973 -6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -105.258-121.426 -2.097 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -107.080-121.373 -5.941 1.00 0.00 H new ATOM 0 HH TYR A 95 -106.956-123.222 -4.709 1.00 0.00 H new ATOM 976 N THR A 96 -109.005-116.758 -4.674 1.00 0.00 N ATOM 977 CA THR A 96 -110.448-116.994 -4.820 1.00 0.00 C ATOM 978 C THR A 96 -110.713-117.470 -6.238 1.00 0.00 C ATOM 979 O THR A 96 -109.942-117.068 -7.116 1.00 0.00 O ATOM 980 CB THR A 96 -111.201-115.651 -4.627 1.00 0.00 C ATOM 981 OG1 THR A 96 -110.674-114.982 -3.505 1.00 0.00 O ATOM 982 CG2 THR A 96 -112.702-115.770 -4.324 1.00 0.00 C ATOM 0 H THR A 96 -108.601-116.319 -5.501 1.00 0.00 H new ATOM 0 HA THR A 96 -110.781-117.730 -4.088 1.00 0.00 H new ATOM 0 HB THR A 96 -111.072-115.138 -5.580 1.00 0.00 H new ATOM 0 HG1 THR A 96 -111.057-115.363 -2.687 1.00 0.00 H new ATOM 0 HG21 THR A 96 -113.130-114.774 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 96 -113.199-116.285 -5.146 1.00 0.00 H new ATOM 0 HG23 THR A 96 -112.844-116.336 -3.403 1.00 0.00 H new ATOM 990 N PRO A 97 -111.739-118.276 -6.624 1.00 0.00 N ATOM 991 CA PRO A 97 -112.154-118.394 -8.031 1.00 0.00 C ATOM 992 C PRO A 97 -112.952-117.114 -8.412 1.00 0.00 C ATOM 993 O PRO A 97 -113.886-116.747 -7.697 1.00 0.00 O ATOM 994 CB PRO A 97 -113.007-119.678 -8.016 1.00 0.00 C ATOM 995 CG PRO A 97 -113.648-119.721 -6.616 1.00 0.00 C ATOM 996 CD PRO A 97 -112.666-118.953 -5.717 1.00 0.00 C ATOM 0 HA PRO A 97 -111.353-118.465 -8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -113.767-119.655 -8.797 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -112.393-120.561 -8.195 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.633-119.254 -6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -113.781-120.747 -6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -113.192-118.235 -5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.134-119.632 -5.050 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.535-116.416 -9.497 1.00 0.00 N ATOM 1005 CA TYR A 98 -112.986-115.153 -10.096 1.00 0.00 C ATOM 1006 C TYR A 98 -113.521-113.939 -9.297 1.00 0.00 C ATOM 1007 O TYR A 98 -113.898-112.934 -9.893 1.00 0.00 O ATOM 1008 CB TYR A 98 -113.850-115.412 -11.375 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.254-114.870 -12.667 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -112.325-113.834 -12.742 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -113.668-115.450 -13.855 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -111.782-113.459 -13.948 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -113.121-115.078 -15.066 1.00 0.00 C ATOM 1014 CZ TYR A 98 -112.158-114.096 -15.104 1.00 0.00 C ATOM 1015 OH TYR A 98 -111.542-113.738 -16.312 1.00 0.00 O ATOM 0 H TYR A 98 -111.760-116.790 -10.045 1.00 0.00 H new ATOM 0 HA TYR A 98 -111.991-114.746 -10.276 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -114.001-116.486 -11.483 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -114.833-114.965 -11.229 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -112.028-113.319 -11.841 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -114.435-116.210 -13.833 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -111.057-112.660 -13.986 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -113.447-115.555 -15.979 1.00 0.00 H new ATOM 0 HH TYR A 98 -111.913-114.278 -17.041 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.556-113.969 -7.944 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.038-112.860 -7.104 1.00 0.00 C ATOM 1027 C ASP A 99 -112.894-112.082 -6.462 1.00 0.00 C ATOM 1028 O ASP A 99 -111.984-112.656 -5.875 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.040-113.308 -5.999 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.258-113.983 -6.635 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -116.980-113.297 -7.405 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.481-115.190 -6.354 1.00 0.00 O ATOM 0 H ASP A 99 -113.245-114.776 -7.404 1.00 0.00 H new ATOM 0 HA ASP A 99 -114.573-112.206 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.550-113.997 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.357-112.445 -5.413 1.00 0.00 H new ATOM 1037 N ASP A 100 -112.920-110.728 -6.543 1.00 0.00 N ATOM 1038 CA ASP A 100 -111.903-109.800 -6.021 1.00 0.00 C ATOM 1039 C ASP A 100 -112.407-109.053 -4.784 1.00 0.00 C ATOM 1040 O ASP A 100 -112.012-107.923 -4.493 1.00 0.00 O ATOM 1041 CB ASP A 100 -111.466-108.793 -7.139 1.00 0.00 C ATOM 1042 CG ASP A 100 -112.624-108.056 -7.838 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -113.316-108.686 -8.681 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -112.813-106.846 -7.543 1.00 0.00 O ATOM 0 H ASP A 100 -113.690-110.237 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.036-110.386 -5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -110.797-108.053 -6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -110.893-109.335 -7.891 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.360-109.704 -4.085 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.188-109.140 -3.048 1.00 0.00 C ATOM 1051 C ARG A 101 -113.869-109.438 -1.587 1.00 0.00 C ATOM 1052 O ARG A 101 -114.593-108.956 -0.731 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.654-109.431 -3.457 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.711-108.424 -2.966 1.00 0.00 C ATOM 1055 CD ARG A 101 -117.967-108.361 -3.861 1.00 0.00 C ATOM 1056 NE ARG A 101 -118.610-109.725 -3.960 1.00 0.00 N ATOM 1057 CZ ARG A 101 -118.631-110.500 -5.093 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -118.045-110.081 -6.251 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -119.241-111.722 -5.057 1.00 0.00 N ATOM 0 H ARG A 101 -113.568-110.688 -4.253 1.00 0.00 H new ATOM 0 HA ARG A 101 -113.964-108.074 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.703-109.476 -4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -115.924-110.419 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -117.010-108.690 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -116.261-107.433 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -118.679-107.645 -3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -117.696-108.006 -4.855 1.00 0.00 H new ATOM 0 HE ARG A 101 -119.061-110.097 -3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -117.578-109.175 -6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -118.073-110.674 -7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -119.675-112.050 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -119.263-112.306 -5.893 1.00 0.00 H new ATOM 1073 N ILE A 102 -112.802-110.205 -1.184 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.453-110.438 0.222 1.00 0.00 C ATOM 1075 C ILE A 102 -111.857-109.195 0.914 1.00 0.00 C ATOM 1076 O ILE A 102 -112.466-108.645 1.825 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.524-111.654 0.338 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -112.269-112.981 0.044 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -110.864-111.824 1.724 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -112.537-113.291 -1.432 1.00 0.00 C ATOM 0 H ILE A 102 -112.174-110.669 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.380-110.650 0.755 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.751-111.450 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -111.689-113.801 0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -113.224-112.962 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -110.225-112.707 1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -110.264-110.943 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -111.637-111.942 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -113.063-114.242 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -113.149-112.500 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -111.590-113.352 -1.969 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.639-108.740 0.522 1.00 0.00 N ATOM 1093 CA ASP A 103 -109.986-107.574 1.133 1.00 0.00 C ATOM 1094 C ASP A 103 -109.776-106.404 0.191 1.00 0.00 C ATOM 1095 O ASP A 103 -108.966-106.443 -0.727 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.679-107.886 1.938 1.00 0.00 C ATOM 1097 CG ASP A 103 -107.561-108.679 1.252 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -107.710-109.050 0.066 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -106.539-108.942 1.943 1.00 0.00 O ATOM 0 H ASP A 103 -110.093-109.174 -0.222 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.729-107.263 1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.257-106.935 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -108.967-108.432 2.837 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.490-105.295 0.490 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.405-104.006 -0.173 1.00 0.00 C ATOM 1106 C LYS A 104 -111.133-103.052 0.767 1.00 0.00 C ATOM 1107 O LYS A 104 -112.085-102.374 0.396 1.00 0.00 O ATOM 1108 CB LYS A 104 -110.982-104.016 -1.619 1.00 0.00 C ATOM 1109 CG LYS A 104 -110.586-102.789 -2.460 1.00 0.00 C ATOM 1110 CD LYS A 104 -110.936-102.916 -3.956 1.00 0.00 C ATOM 1111 CE LYS A 104 -112.427-103.135 -4.263 1.00 0.00 C ATOM 1112 NZ LYS A 104 -113.258-102.023 -3.745 1.00 0.00 N ATOM 0 H LYS A 104 -111.175-105.292 1.246 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.372-103.700 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -110.642-104.918 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -112.069-104.071 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -111.083-101.908 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -109.513-102.624 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -110.605-102.013 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -110.369-103.747 -4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -112.568-103.225 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -112.757-104.074 -3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -114.256-102.195 -3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -113.155-101.965 -2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -112.948-101.128 -4.175 1.00 0.00 H new ATOM 1126 N LYS A 105 -110.695-103.058 2.067 1.00 0.00 N ATOM 1127 CA LYS A 105 -111.237-102.357 3.243 1.00 0.00 C ATOM 1128 C LYS A 105 -112.498-103.055 3.769 1.00 0.00 C ATOM 1129 O LYS A 105 -113.627-102.592 3.603 1.00 0.00 O ATOM 1130 CB LYS A 105 -111.410-100.824 3.067 1.00 0.00 C ATOM 1131 CG LYS A 105 -111.311-100.052 4.390 1.00 0.00 C ATOM 1132 CD LYS A 105 -111.284 -98.530 4.187 1.00 0.00 C ATOM 1133 CE LYS A 105 -111.217 -97.733 5.500 1.00 0.00 C ATOM 1134 NZ LYS A 105 -109.964 -98.015 6.241 1.00 0.00 N ATOM 0 H LYS A 105 -109.877-103.610 2.324 1.00 0.00 H new ATOM 0 HA LYS A 105 -110.471-102.433 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -110.649-100.455 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -112.378-100.624 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.158-100.315 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -110.409-100.360 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -110.424 -98.270 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -112.175 -98.230 3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -111.281 -96.667 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -112.075 -97.984 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -109.902 -97.388 7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -109.963 -99.006 6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -109.148 -97.849 5.619 1.00 0.00 H new ATOM 1148 N MET A 106 -112.306-104.274 4.339 1.00 0.00 N ATOM 1149 CA MET A 106 -113.379-105.200 4.696 1.00 0.00 C ATOM 1150 C MET A 106 -112.948-106.006 5.921 1.00 0.00 C ATOM 1151 O MET A 106 -111.809-105.906 6.408 1.00 0.00 O ATOM 1152 CB MET A 106 -113.659-106.188 3.518 1.00 0.00 C ATOM 1153 CG MET A 106 -114.061-105.495 2.197 1.00 0.00 C ATOM 1154 SD MET A 106 -114.953-106.528 1.013 1.00 0.00 S ATOM 1155 CE MET A 106 -114.414-105.588 -0.446 1.00 0.00 C ATOM 0 H MET A 106 -111.378-104.634 4.562 1.00 0.00 H new ATOM 0 HA MET A 106 -114.284-104.631 4.909 1.00 0.00 H new ATOM 0 HB2 MET A 106 -112.768-106.790 3.343 1.00 0.00 H new ATOM 0 HB3 MET A 106 -114.454-106.873 3.813 1.00 0.00 H new ATOM 0 HG2 MET A 106 -114.680-104.630 2.435 1.00 0.00 H new ATOM 0 HG3 MET A 106 -113.158-105.119 1.716 1.00 0.00 H new ATOM 0 HE1 MET A 106 -115.012-105.881 -1.309 1.00 0.00 H new ATOM 0 HE2 MET A 106 -114.543-104.522 -0.260 1.00 0.00 H new ATOM 0 HE3 MET A 106 -113.363-105.797 -0.646 1.00 0.00 H new ATOM 1165 N ARG A 107 -113.887-106.870 6.411 1.00 0.00 N ATOM 1166 CA ARG A 107 -113.679-107.772 7.540 1.00 0.00 C ATOM 1167 C ARG A 107 -114.221-109.115 7.111 1.00 0.00 C ATOM 1168 O ARG A 107 -115.296-109.218 6.523 1.00 0.00 O ATOM 1169 CB ARG A 107 -114.328-107.286 8.870 1.00 0.00 C ATOM 1170 CG ARG A 107 -113.439-106.253 9.600 1.00 0.00 C ATOM 1171 CD ARG A 107 -114.040-104.854 9.820 1.00 0.00 C ATOM 1172 NE ARG A 107 -114.338-104.243 8.478 1.00 0.00 N ATOM 1173 CZ ARG A 107 -114.721-102.942 8.300 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -114.876-102.105 9.366 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -114.954-102.481 7.035 1.00 0.00 N ATOM 0 H ARG A 107 -114.822-106.945 6.010 1.00 0.00 H new ATOM 0 HA ARG A 107 -112.616-107.819 7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.301-106.843 8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -114.502-108.141 9.523 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -113.169-106.664 10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -112.514-106.140 9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -114.951-104.923 10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -113.343-104.226 10.375 1.00 0.00 H new ATOM 0 HE ARG A 107 -114.249-104.834 7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -114.706-102.447 10.312 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -115.162-101.137 9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -114.842-103.105 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -115.240-101.513 6.890 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.458-110.209 7.370 1.00 0.00 N ATOM 1190 CA VAL A 108 -113.848-111.540 6.929 1.00 0.00 C ATOM 1191 C VAL A 108 -113.745-112.591 8.011 1.00 0.00 C ATOM 1192 O VAL A 108 -112.833-112.604 8.844 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.055-112.008 5.701 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -113.343-111.045 4.522 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -111.547-112.123 5.988 1.00 0.00 C ATOM 0 H VAL A 108 -112.576-110.178 7.881 1.00 0.00 H new ATOM 0 HA VAL A 108 -114.899-111.435 6.660 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.382-113.013 5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -112.784-111.368 3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -114.410-111.054 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -113.038-110.035 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -111.030-112.457 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -111.159-111.150 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -111.383-112.843 6.790 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.693-113.573 7.940 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.682-114.781 8.736 1.00 0.00 C ATOM 1207 C ILE A 109 -114.247-115.896 7.777 1.00 0.00 C ATOM 1208 O ILE A 109 -115.054-116.307 6.941 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.063-115.141 9.329 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -116.747-113.979 10.099 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -115.886-116.355 10.278 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -117.558-113.011 9.229 1.00 0.00 C ATOM 0 H ILE A 109 -115.491-113.519 7.307 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.017-114.646 9.589 1.00 0.00 H new ATOM 0 HB ILE A 109 -116.720-115.371 8.490 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -117.407-114.404 10.855 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -115.980-113.413 10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -116.851-116.625 10.707 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -115.489-117.201 9.717 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.193-116.094 11.078 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -117.996-112.236 9.858 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -116.903-112.551 8.489 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.352-113.557 8.720 1.00 0.00 H new ATOM 1224 N TYR A 110 -112.991-116.427 7.903 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.449-117.568 7.174 1.00 0.00 C ATOM 1226 C TYR A 110 -112.252-118.699 8.176 1.00 0.00 C ATOM 1227 O TYR A 110 -111.414-118.574 9.064 1.00 0.00 O ATOM 1228 CB TYR A 110 -111.199-117.327 6.260 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.128-116.601 7.002 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -110.420-115.325 7.390 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.002-117.218 7.505 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.834-114.818 8.509 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -108.268-116.598 8.499 1.00 0.00 C ATOM 1234 CZ TYR A 110 -108.716-115.409 9.048 1.00 0.00 C ATOM 1235 OH TYR A 110 -108.102-114.845 10.186 1.00 0.00 O ATOM 0 H TYR A 110 -112.313-116.034 8.555 1.00 0.00 H new ATOM 0 HA TYR A 110 -113.185-117.825 6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.815-118.283 5.903 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -111.492-116.752 5.381 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -111.109-114.724 6.815 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -108.695-118.181 7.124 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -110.253-113.940 8.979 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -107.346-117.041 8.847 1.00 0.00 H new ATOM 0 HH TYR A 110 -107.678-115.554 10.714 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.038-119.818 8.102 1.00 0.00 N ATOM 1246 CA ARG A 111 -112.981-121.007 8.986 1.00 0.00 C ATOM 1247 C ARG A 111 -113.204-120.759 10.491 1.00 0.00 C ATOM 1248 O ARG A 111 -112.643-121.441 11.346 1.00 0.00 O ATOM 1249 CB ARG A 111 -111.639-121.793 8.825 1.00 0.00 C ATOM 1250 CG ARG A 111 -111.346-122.216 7.378 1.00 0.00 C ATOM 1251 CD ARG A 111 -110.030-122.994 7.195 1.00 0.00 C ATOM 1252 NE ARG A 111 -108.851-122.103 7.502 1.00 0.00 N ATOM 1253 CZ ARG A 111 -108.209-121.320 6.577 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -108.630-121.262 5.280 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -107.125-120.585 6.963 1.00 0.00 N ATOM 0 H ARG A 111 -113.760-119.910 7.387 1.00 0.00 H new ATOM 0 HA ARG A 111 -113.834-121.588 8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -110.819-121.173 9.187 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -111.670-122.681 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -112.170-122.832 7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -111.317-121.325 6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -110.019-123.864 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -109.958-123.366 6.173 1.00 0.00 H new ATOM 0 HE ARG A 111 -108.509-122.082 8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -109.438-121.808 4.981 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -108.137-120.672 4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -106.802-120.622 7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -106.639-119.999 6.285 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.037-119.742 10.834 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.300-119.307 12.208 1.00 0.00 C ATOM 1271 C GLY A 112 -113.345-118.275 12.779 1.00 0.00 C ATOM 1272 O GLY A 112 -113.537-117.849 13.915 1.00 0.00 O ATOM 0 H GLY A 112 -114.549-119.198 10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.310-118.900 12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -114.283-120.185 12.854 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.292-117.849 12.026 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.290-116.865 12.437 1.00 0.00 C ATOM 1278 C LYS A 113 -111.691-115.505 11.876 1.00 0.00 C ATOM 1279 O LYS A 113 -112.194-115.446 10.755 1.00 0.00 O ATOM 1280 CB LYS A 113 -109.873-117.263 11.928 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.418-118.688 12.304 1.00 0.00 C ATOM 1282 CD LYS A 113 -109.352-118.961 13.817 1.00 0.00 C ATOM 1283 CE LYS A 113 -108.905-120.392 14.157 1.00 0.00 C ATOM 1284 NZ LYS A 113 -109.873-121.395 13.653 1.00 0.00 N ATOM 0 H LYS A 113 -112.126-118.204 11.084 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.248-116.825 13.525 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -109.854-117.167 10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -109.149-116.551 12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -110.100-119.405 11.848 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -108.433-118.866 11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -108.663-118.253 14.277 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -110.334-118.781 14.255 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -107.923-120.581 13.723 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -108.801-120.495 15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -109.616-122.336 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -110.829-121.149 13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -109.853-121.405 12.613 1.00 0.00 H new ATOM 1298 N ILE A 114 -111.512-114.384 12.641 1.00 0.00 N ATOM 1299 CA ILE A 114 -111.943-113.048 12.207 1.00 0.00 C ATOM 1300 C ILE A 114 -110.736-112.126 12.106 1.00 0.00 C ATOM 1301 O ILE A 114 -109.982-111.939 13.060 1.00 0.00 O ATOM 1302 CB ILE A 114 -113.051-112.433 13.087 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -114.163-113.483 13.356 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -113.637-111.170 12.398 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -115.369-112.961 14.140 1.00 0.00 C ATOM 0 H ILE A 114 -111.070-114.397 13.560 1.00 0.00 H new ATOM 0 HA ILE A 114 -112.396-113.165 11.223 1.00 0.00 H new ATOM 0 HB ILE A 114 -112.624-112.135 14.044 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -114.512-113.874 12.400 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -113.728-114.319 13.903 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -114.418-110.742 13.026 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -112.846-110.435 12.252 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -114.059-111.445 11.431 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -116.090-113.767 14.277 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -115.040-112.598 15.114 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -115.837-112.146 13.588 1.00 0.00 H new ATOM 1317 N VAL A 115 -110.546-111.514 10.907 1.00 0.00 N ATOM 1318 CA VAL A 115 -109.490-110.556 10.609 1.00 0.00 C ATOM 1319 C VAL A 115 -110.067-109.318 9.911 1.00 0.00 C ATOM 1320 O VAL A 115 -111.084-109.402 9.214 1.00 0.00 O ATOM 1321 CB VAL A 115 -108.352-111.229 9.839 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.729-111.565 8.379 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -107.061-110.392 9.939 1.00 0.00 C ATOM 0 H VAL A 115 -111.153-111.692 10.107 1.00 0.00 H new ATOM 0 HA VAL A 115 -109.049-110.198 11.539 1.00 0.00 H new ATOM 0 HB VAL A 115 -108.163-112.192 10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.882-112.040 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -109.582-112.244 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -108.990-110.648 7.850 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -106.263-110.887 9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -107.236-109.402 9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -106.771-110.295 10.985 1.00 0.00 H new ATOM 1333 N THR A 116 -109.390-108.145 10.090 1.00 0.00 N ATOM 1334 CA THR A 116 -109.659-106.826 9.510 1.00 0.00 C ATOM 1335 C THR A 116 -108.431-106.442 8.690 1.00 0.00 C ATOM 1336 O THR A 116 -107.296-106.649 9.125 1.00 0.00 O ATOM 1337 CB THR A 116 -110.025-105.760 10.561 1.00 0.00 C ATOM 1338 OG1 THR A 116 -110.314-104.480 9.996 1.00 0.00 O ATOM 1339 CG2 THR A 116 -108.947-105.596 11.650 1.00 0.00 C ATOM 0 H THR A 116 -108.573-108.114 10.700 1.00 0.00 H new ATOM 0 HA THR A 116 -110.543-106.877 8.874 1.00 0.00 H new ATOM 0 HB THR A 116 -110.935-106.145 11.020 1.00 0.00 H new ATOM 0 HG1 THR A 116 -110.540-103.850 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 116 -109.261-104.832 12.361 1.00 0.00 H new ATOM 0 HG22 THR A 116 -108.810-106.543 12.172 1.00 0.00 H new ATOM 0 HG23 THR A 116 -108.006-105.297 11.188 1.00 0.00 H new ATOM 1347 N PHE A 117 -108.647-105.906 7.451 1.00 0.00 N ATOM 1348 CA PHE A 117 -107.563-105.647 6.497 1.00 0.00 C ATOM 1349 C PHE A 117 -107.949-104.851 5.229 1.00 0.00 C ATOM 1350 O PHE A 117 -109.106-104.826 4.798 1.00 0.00 O ATOM 1351 CB PHE A 117 -106.875-106.990 6.063 1.00 0.00 C ATOM 1352 CG PHE A 117 -107.805-108.124 5.630 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -109.181-108.034 5.402 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -107.209-109.358 5.454 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -109.901-109.118 4.964 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -107.924-110.438 4.980 1.00 0.00 C ATOM 1357 CZ PHE A 117 -109.255-110.297 4.685 1.00 0.00 C ATOM 0 H PHE A 117 -109.571-105.650 7.104 1.00 0.00 H new ATOM 0 HA PHE A 117 -106.879-105.004 7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -106.194-106.774 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -106.267-107.346 6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -109.687-107.095 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -106.163-109.479 5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -110.971-109.044 4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -107.437-111.392 4.842 1.00 0.00 H new ATOM 0 HZ PHE A 117 -109.797-111.115 4.232 1.00 0.00 H new ATOM 1367 N ILE A 118 -106.922-104.223 4.574 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.035-103.458 3.326 1.00 0.00 C ATOM 1369 C ILE A 118 -106.143-104.103 2.268 1.00 0.00 C ATOM 1370 O ILE A 118 -104.930-104.166 2.431 1.00 0.00 O ATOM 1371 CB ILE A 118 -106.717-101.959 3.531 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -106.499-101.119 2.238 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -105.518-101.765 4.483 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -107.698-101.087 1.287 1.00 0.00 C ATOM 0 H ILE A 118 -105.966-104.248 4.928 1.00 0.00 H new ATOM 0 HA ILE A 118 -108.068-103.489 2.981 1.00 0.00 H new ATOM 0 HB ILE A 118 -107.632-101.567 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -106.251-100.097 2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -105.638-101.519 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -105.320-100.700 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -105.748-102.206 5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -104.638-102.252 4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -107.455-100.479 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -107.936-102.101 0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -108.558-100.657 1.800 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.716-104.596 1.134 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.962-105.226 0.046 1.00 0.00 C ATOM 1388 C GLY A 119 -106.200-104.658 -1.318 1.00 0.00 C ATOM 1389 O GLY A 119 -107.052-103.799 -1.515 1.00 0.00 O ATOM 0 H GLY A 119 -107.721-104.560 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.899-105.148 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.207-106.288 0.026 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.422-105.161 -2.309 1.00 0.00 N ATOM 1394 CA ASP A 120 -105.459-104.814 -3.732 1.00 0.00 C ATOM 1395 C ASP A 120 -105.544-106.109 -4.571 1.00 0.00 C ATOM 1396 O ASP A 120 -104.764-107.023 -4.288 1.00 0.00 O ATOM 1397 CB ASP A 120 -104.246-103.924 -4.177 1.00 0.00 C ATOM 1398 CG ASP A 120 -102.861-104.493 -3.824 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -102.491-104.470 -2.620 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -102.153-104.947 -4.764 1.00 0.00 O ATOM 0 H ASP A 120 -104.710-105.864 -2.111 1.00 0.00 H new ATOM 0 HA ASP A 120 -106.348-104.207 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -104.298-103.777 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -104.347-102.941 -3.717 1.00 0.00 H new ATOM 1405 N PRO A 121 -106.475-106.315 -5.539 1.00 0.00 N ATOM 1406 CA PRO A 121 -106.603-107.565 -6.300 1.00 0.00 C ATOM 1407 C PRO A 121 -105.897-107.568 -7.670 1.00 0.00 C ATOM 1408 O PRO A 121 -105.755-106.525 -8.310 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.130-107.661 -6.459 1.00 0.00 C ATOM 1410 CG PRO A 121 -108.605-106.210 -6.618 1.00 0.00 C ATOM 1411 CD PRO A 121 -107.598-105.408 -5.786 1.00 0.00 C ATOM 0 HA PRO A 121 -106.126-108.404 -5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.399-108.262 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.588-108.133 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -108.600-105.899 -7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -109.623-106.079 -6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -107.271-104.516 -6.321 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.043-105.072 -4.849 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.508-108.791 -8.143 1.00 0.00 N ATOM 1420 CA VAL A 122 -104.909-109.118 -9.444 1.00 0.00 C ATOM 1421 C VAL A 122 -105.674-110.325 -10.024 1.00 0.00 C ATOM 1422 O VAL A 122 -105.803-111.356 -9.358 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.416-109.491 -9.345 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -102.777-109.596 -10.754 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -102.652-108.434 -8.520 1.00 0.00 C ATOM 0 H VAL A 122 -105.620-109.627 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 122 -104.980-108.233 -10.077 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.347-110.460 -8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -101.724-109.860 -10.657 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.292-110.364 -11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -102.865-108.638 -11.266 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -101.600-108.711 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -102.744-107.461 -9.002 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.072-108.383 -7.516 1.00 0.00 H new ATOM 1435 N ASP A 123 -106.212-110.254 -11.280 1.00 0.00 N ATOM 1436 CA ASP A 123 -106.905-111.378 -11.941 1.00 0.00 C ATOM 1437 C ASP A 123 -106.025-112.085 -12.984 1.00 0.00 C ATOM 1438 O ASP A 123 -105.116-111.498 -13.573 1.00 0.00 O ATOM 1439 CB ASP A 123 -108.291-111.017 -12.563 1.00 0.00 C ATOM 1440 CG ASP A 123 -109.264-110.506 -11.489 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -109.064-109.369 -10.984 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -110.232-111.250 -11.173 1.00 0.00 O ATOM 0 H ASP A 123 -106.171-109.411 -11.852 1.00 0.00 H new ATOM 0 HA ASP A 123 -107.105-112.070 -11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -108.161-110.255 -13.332 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -108.713-111.895 -13.052 1.00 0.00 H new ATOM 1520 N GLU A 129 -108.699-118.784 -14.108 1.00 0.00 N ATOM 1521 CA GLU A 129 -109.996-118.217 -13.730 1.00 0.00 C ATOM 1522 C GLU A 129 -109.991-117.857 -12.246 1.00 0.00 C ATOM 1523 O GLU A 129 -111.010-117.691 -11.581 1.00 0.00 O ATOM 1524 CB GLU A 129 -111.103-119.263 -14.047 1.00 0.00 C ATOM 1525 CG GLU A 129 -112.524-118.686 -14.183 1.00 0.00 C ATOM 1526 CD GLU A 129 -113.502-119.797 -14.565 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -113.673-120.742 -13.748 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -114.094-119.712 -15.674 1.00 0.00 O ATOM 0 HA GLU A 129 -110.192-117.305 -14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -110.844-119.774 -14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -111.107-120.016 -13.259 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -112.831-118.227 -13.243 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -112.537-117.902 -14.940 1.00 0.00 H new ATOM 1535 N ILE A 130 -108.773-117.769 -11.657 1.00 0.00 N ATOM 1536 CA ILE A 130 -108.581-117.520 -10.226 1.00 0.00 C ATOM 1537 C ILE A 130 -108.082-116.116 -9.981 1.00 0.00 C ATOM 1538 O ILE A 130 -107.230-115.585 -10.688 1.00 0.00 O ATOM 1539 CB ILE A 130 -107.724-118.564 -9.487 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -106.302-118.793 -10.064 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -108.523-119.892 -9.419 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -105.213-117.895 -9.458 1.00 0.00 C ATOM 0 H ILE A 130 -107.899-117.871 -12.173 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.573-117.627 -9.787 1.00 0.00 H new ATOM 0 HB ILE A 130 -107.533-118.163 -8.492 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -106.024-119.835 -9.907 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -106.331-118.630 -11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -107.932-120.646 -8.898 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -109.457-119.728 -8.881 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -108.742-120.237 -10.429 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -104.253-118.125 -9.921 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -105.462-116.849 -9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -105.150-118.073 -8.384 1.00 0.00 H new ATOM 1554 N THR A 131 -108.598-115.486 -8.909 1.00 0.00 N ATOM 1555 CA THR A 131 -108.209-114.161 -8.448 1.00 0.00 C ATOM 1556 C THR A 131 -107.227-114.307 -7.314 1.00 0.00 C ATOM 1557 O THR A 131 -107.403-115.158 -6.445 1.00 0.00 O ATOM 1558 CB THR A 131 -109.416-113.377 -7.963 1.00 0.00 C ATOM 1559 OG1 THR A 131 -110.409-113.442 -8.972 1.00 0.00 O ATOM 1560 CG2 THR A 131 -109.075-111.894 -7.706 1.00 0.00 C ATOM 0 H THR A 131 -109.321-115.909 -8.327 1.00 0.00 H new ATOM 0 HA THR A 131 -107.757-113.620 -9.280 1.00 0.00 H new ATOM 0 HB THR A 131 -109.758-113.810 -7.023 1.00 0.00 H new ATOM 0 HG1 THR A 131 -110.271-112.714 -9.614 1.00 0.00 H new ATOM 0 HG21 THR A 131 -109.966-111.370 -7.361 1.00 0.00 H new ATOM 0 HG22 THR A 131 -108.297-111.826 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 131 -108.721-111.437 -8.630 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.167-113.462 -7.301 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.157-113.406 -6.261 1.00 0.00 C ATOM 1570 C ARG A 132 -105.229-112.001 -5.702 1.00 0.00 C ATOM 1571 O ARG A 132 -105.102-111.012 -6.429 1.00 0.00 O ATOM 1572 CB ARG A 132 -103.729-113.733 -6.779 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.606-115.175 -7.316 1.00 0.00 C ATOM 1574 CD ARG A 132 -102.184-115.751 -7.240 1.00 0.00 C ATOM 1575 NE ARG A 132 -101.845-115.964 -5.786 1.00 0.00 N ATOM 1576 CZ ARG A 132 -100.592-116.287 -5.341 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -99.550-116.422 -6.211 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -100.385-116.481 -4.004 1.00 0.00 N ATOM 0 H ARG A 132 -106.003-112.786 -8.047 1.00 0.00 H new ATOM 0 HA ARG A 132 -105.352-114.163 -5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -103.464-113.031 -7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.012-113.588 -5.971 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -104.279-115.821 -6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -103.940-115.195 -8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -102.124-116.692 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -101.471-115.068 -7.702 1.00 0.00 H new ATOM 0 HE ARG A 132 -102.590-115.862 -5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -99.699-116.282 -7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -98.622-116.663 -5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -101.161-116.385 -3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -99.455-116.722 -3.662 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.465-111.879 -4.375 1.00 0.00 N ATOM 1593 CA ILE A 133 -105.575-110.601 -3.676 1.00 0.00 C ATOM 1594 C ILE A 133 -104.541-110.608 -2.564 1.00 0.00 C ATOM 1595 O ILE A 133 -104.414-111.574 -1.811 1.00 0.00 O ATOM 1596 CB ILE A 133 -106.982-110.292 -3.105 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -108.142-110.650 -4.063 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.101-108.787 -2.777 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -108.730-112.040 -3.819 1.00 0.00 C ATOM 0 H ILE A 133 -105.584-112.685 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 133 -105.398-109.808 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 133 -107.075-110.915 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -108.932-109.907 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -107.785-110.591 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.093-108.579 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -106.347-108.515 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -106.947-108.203 -3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -109.538-112.223 -4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -107.953-112.792 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -109.118-112.097 -2.802 1.00 0.00 H new