USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=16 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 47 SER OG : rot 130:sc= 0.693 USER MOD Set 1.2: A 106 MET CE :methyl -116:sc= -0.0434 (180deg=-0.449) USER MOD Set 2.1: A 92 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 113 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0145) USER MOD Set 3.1: A 71 HIS : no HE2:sc= -0.603! C(o=0.16!,f=-6!) USER MOD Set 3.2: A 73 GLN : amide:sc= -0.139 K(o=0.16,f=-0.53) USER MOD Set 3.3: A 110 TYR OH : rot -35:sc= 0.899 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.265 K(o=-0.27,f=-1.1) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -150:sc= -0.77 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.489) USER MOD Single : A 105 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0107) USER MOD Single : A 116 THR OG1 : rot -56:sc= 1.24 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.22 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -112.702-124.507 0.847 1.00 0.00 N ATOM 114 CA ASP A 41 -113.524-124.616 2.039 1.00 0.00 C ATOM 115 C ASP A 41 -114.332-123.352 2.020 1.00 0.00 C ATOM 116 O ASP A 41 -114.026-122.433 1.259 1.00 0.00 O ATOM 117 CB ASP A 41 -112.695-124.699 3.353 1.00 0.00 C ATOM 118 CG ASP A 41 -111.989-126.052 3.462 1.00 0.00 C ATOM 119 OD1 ASP A 41 -112.702-127.070 3.669 1.00 0.00 O ATOM 120 OD2 ASP A 41 -110.734-126.085 3.346 1.00 0.00 O ATOM 0 HA ASP A 41 -114.117-125.531 2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -111.958-123.896 3.376 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -113.350-124.555 4.212 1.00 0.00 H new ATOM 125 N VAL A 42 -115.385-123.245 2.866 1.00 0.00 N ATOM 126 CA VAL A 42 -116.311-122.113 2.848 1.00 0.00 C ATOM 127 C VAL A 42 -115.938-121.068 3.892 1.00 0.00 C ATOM 128 O VAL A 42 -115.469-121.407 4.976 1.00 0.00 O ATOM 129 CB VAL A 42 -117.761-122.583 3.072 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.215-123.418 1.852 1.00 0.00 C ATOM 131 CG2 VAL A 42 -117.924-123.399 4.380 1.00 0.00 C ATOM 0 H VAL A 42 -115.606-123.945 3.574 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.237-121.653 1.862 1.00 0.00 H new ATOM 0 HB VAL A 42 -118.391-121.699 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.241-123.755 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -118.163-122.805 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -117.562-124.283 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -118.964-123.706 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -117.287-124.283 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -117.636-122.783 5.232 1.00 0.00 H new ATOM 141 N ILE A 43 -116.144-119.755 3.555 1.00 0.00 N ATOM 142 CA ILE A 43 -115.899-118.575 4.397 1.00 0.00 C ATOM 143 C ILE A 43 -116.941-117.486 4.038 1.00 0.00 C ATOM 144 O ILE A 43 -117.546-117.547 2.956 1.00 0.00 O ATOM 145 CB ILE A 43 -114.439-118.057 4.355 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.908-117.816 2.924 1.00 0.00 C ATOM 147 CG2 ILE A 43 -113.528-119.065 5.095 1.00 0.00 C ATOM 148 CD1 ILE A 43 -112.436-117.367 2.895 1.00 0.00 C ATOM 0 H ILE A 43 -116.505-119.497 2.637 1.00 0.00 H new ATOM 0 HA ILE A 43 -116.028-118.869 5.439 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.428-117.085 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -114.014-118.733 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -114.523-117.059 2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -112.498-118.710 5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -113.856-119.159 6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -113.588-120.037 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.122-117.214 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.329-116.434 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -111.812-118.134 3.354 1.00 0.00 H new ATOM 160 N THR A 44 -117.162-116.474 4.957 1.00 0.00 N ATOM 161 CA THR A 44 -118.167-115.392 4.779 1.00 0.00 C ATOM 162 C THR A 44 -117.512-114.031 4.720 1.00 0.00 C ATOM 163 O THR A 44 -116.751-113.634 5.612 1.00 0.00 O ATOM 164 CB THR A 44 -119.285-115.308 5.849 1.00 0.00 C ATOM 165 OG1 THR A 44 -120.186-116.397 5.713 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.187-114.050 5.734 1.00 0.00 C ATOM 0 H THR A 44 -116.642-116.401 5.832 1.00 0.00 H new ATOM 0 HA THR A 44 -118.640-115.669 3.837 1.00 0.00 H new ATOM 0 HB THR A 44 -118.742-115.296 6.794 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.885-116.331 6.397 1.00 0.00 H new ATOM 0 HG21 THR A 44 -120.942-114.071 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 44 -119.576-113.153 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 44 -120.677-114.041 4.760 1.00 0.00 H new ATOM 174 N PHE A 45 -117.860-113.277 3.644 1.00 0.00 N ATOM 175 CA PHE A 45 -117.384-111.919 3.389 1.00 0.00 C ATOM 176 C PHE A 45 -118.453-110.855 3.638 1.00 0.00 C ATOM 177 O PHE A 45 -119.583-110.983 3.146 1.00 0.00 O ATOM 178 CB PHE A 45 -116.920-111.835 1.935 1.00 0.00 C ATOM 179 CG PHE A 45 -115.884-112.897 1.705 1.00 0.00 C ATOM 180 CD1 PHE A 45 -114.569-112.650 2.024 1.00 0.00 C ATOM 181 CD2 PHE A 45 -116.230-114.135 1.184 1.00 0.00 C ATOM 182 CE1 PHE A 45 -113.614-113.603 1.757 1.00 0.00 C ATOM 183 CE2 PHE A 45 -115.267-115.077 0.890 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.947-114.794 1.160 1.00 0.00 C ATOM 0 H PHE A 45 -118.495-113.618 2.922 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.568-111.717 4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.764-111.976 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.505-110.849 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -114.288-111.713 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -117.270-114.365 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -112.585-113.411 2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -115.545-116.025 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 45 -113.176-115.506 0.903 1.00 0.00 H new ATOM 194 N GLN A 46 -118.086-109.800 4.427 1.00 0.00 N ATOM 195 CA GLN A 46 -118.913-108.706 4.909 1.00 0.00 C ATOM 196 C GLN A 46 -118.247-107.358 4.614 1.00 0.00 C ATOM 197 O GLN A 46 -117.021-107.270 4.533 1.00 0.00 O ATOM 198 CB GLN A 46 -119.078-108.828 6.465 1.00 0.00 C ATOM 199 CG GLN A 46 -119.504-110.233 6.965 1.00 0.00 C ATOM 200 CD GLN A 46 -119.633-110.284 8.492 1.00 0.00 C ATOM 201 OE1 GLN A 46 -119.297-109.341 9.209 1.00 0.00 O ATOM 202 NE2 GLN A 46 -120.195-111.420 8.989 1.00 0.00 N ATOM 0 H GLN A 46 -117.124-109.708 4.754 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.879-108.759 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -118.134-108.560 6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -119.818-108.100 6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -120.457-110.506 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -118.772-110.972 6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -120.458-112.177 8.358 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -120.353-111.514 9.992 1.00 0.00 H new ATOM 211 N SER A 47 -119.051-106.258 4.520 1.00 0.00 N ATOM 212 CA SER A 47 -118.598-104.862 4.380 1.00 0.00 C ATOM 213 C SER A 47 -119.427-103.985 5.331 1.00 0.00 C ATOM 214 O SER A 47 -120.544-104.344 5.725 1.00 0.00 O ATOM 215 CB SER A 47 -118.739-104.324 2.930 1.00 0.00 C ATOM 216 OG SER A 47 -117.874-105.042 2.055 1.00 0.00 O ATOM 0 H SER A 47 -120.068-106.335 4.542 1.00 0.00 H new ATOM 0 HA SER A 47 -117.537-104.828 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 47 -119.772-104.424 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 47 -118.496-103.262 2.903 1.00 0.00 H new ATOM 0 HG SER A 47 -118.379-105.344 1.271 1.00 0.00 H new ATOM 222 N TYR A 48 -118.875-102.807 5.742 1.00 0.00 N ATOM 223 CA TYR A 48 -119.432-101.843 6.690 1.00 0.00 C ATOM 224 C TYR A 48 -119.736-100.525 5.966 1.00 0.00 C ATOM 225 O TYR A 48 -118.915-100.046 5.182 1.00 0.00 O ATOM 226 CB TYR A 48 -118.352-101.662 7.806 1.00 0.00 C ATOM 227 CG TYR A 48 -118.744-100.922 9.060 1.00 0.00 C ATOM 228 CD1 TYR A 48 -119.915-101.202 9.739 1.00 0.00 C ATOM 229 CD2 TYR A 48 -117.848-100.033 9.627 1.00 0.00 C ATOM 230 CE1 TYR A 48 -120.177-100.618 10.962 1.00 0.00 C ATOM 231 CE2 TYR A 48 -118.088 -99.474 10.867 1.00 0.00 C ATOM 232 CZ TYR A 48 -119.249 -99.779 11.541 1.00 0.00 C ATOM 233 OH TYR A 48 -119.484 -99.255 12.828 1.00 0.00 O ATOM 0 H TYR A 48 -117.969-102.502 5.386 1.00 0.00 H new ATOM 0 HA TYR A 48 -120.371-102.182 7.127 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -118.005-102.653 8.098 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.501-101.144 7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -120.632-101.885 9.308 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.947 -99.772 9.092 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -121.111-100.819 11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -117.367 -98.800 11.306 1.00 0.00 H new ATOM 0 HH TYR A 48 -118.733 -98.683 13.091 1.00 0.00 H new ATOM 431 N TRP A 62 -123.901-102.907 9.085 1.00 0.00 N ATOM 432 CA TRP A 62 -123.227-104.114 8.667 1.00 0.00 C ATOM 433 C TRP A 62 -124.166-104.880 7.728 1.00 0.00 C ATOM 434 O TRP A 62 -125.329-105.145 8.044 1.00 0.00 O ATOM 435 CB TRP A 62 -122.860-104.960 9.923 1.00 0.00 C ATOM 436 CG TRP A 62 -121.510-104.617 10.541 1.00 0.00 C ATOM 437 CD1 TRP A 62 -121.164-104.112 11.765 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.274-104.915 9.879 1.00 0.00 C ATOM 439 NE1 TRP A 62 -119.796-104.072 11.891 1.00 0.00 N ATOM 440 CE2 TRP A 62 -119.246-104.573 10.748 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.022-105.449 8.653 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -117.951-104.760 10.420 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -118.698-105.655 8.320 1.00 0.00 C ATOM 444 CH2 TRP A 62 -117.676-105.321 9.192 1.00 0.00 C ATOM 0 HA TRP A 62 -122.302-103.887 8.137 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -123.636-104.824 10.677 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -122.863-106.015 9.649 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -121.864-103.791 12.522 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -119.280-103.727 12.701 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -120.821-105.700 7.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -117.157-104.480 11.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.455-106.085 7.360 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -116.650-105.502 8.906 1.00 0.00 H new ATOM 455 N VAL A 63 -123.650-105.246 6.524 1.00 0.00 N ATOM 456 CA VAL A 63 -124.372-105.964 5.482 1.00 0.00 C ATOM 457 C VAL A 63 -123.421-107.027 4.960 1.00 0.00 C ATOM 458 O VAL A 63 -122.209-106.961 5.199 1.00 0.00 O ATOM 459 CB VAL A 63 -124.879-105.058 4.341 1.00 0.00 C ATOM 460 CG1 VAL A 63 -126.203-104.388 4.776 1.00 0.00 C ATOM 461 CG2 VAL A 63 -123.823-104.001 3.947 1.00 0.00 C ATOM 0 H VAL A 63 -122.688-105.034 6.261 1.00 0.00 H new ATOM 0 HA VAL A 63 -125.279-106.399 5.903 1.00 0.00 H new ATOM 0 HB VAL A 63 -125.059-105.670 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -126.567-103.746 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -126.946-105.156 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -126.031-103.789 5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -124.213-103.380 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -123.595-103.375 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -122.914-104.502 3.612 1.00 0.00 H new ATOM 471 N ASP A 64 -123.957-108.039 4.219 1.00 0.00 N ATOM 472 CA ASP A 64 -123.183-109.144 3.645 1.00 0.00 C ATOM 473 C ASP A 64 -122.684-108.780 2.247 1.00 0.00 C ATOM 474 O ASP A 64 -123.354-108.058 1.513 1.00 0.00 O ATOM 475 CB ASP A 64 -124.033-110.455 3.614 1.00 0.00 C ATOM 476 CG ASP A 64 -123.187-111.718 3.393 1.00 0.00 C ATOM 477 OD1 ASP A 64 -122.314-111.997 4.257 1.00 0.00 O ATOM 478 OD2 ASP A 64 -123.402-112.409 2.362 1.00 0.00 O ATOM 0 H ASP A 64 -124.954-108.097 4.009 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.314-109.322 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.578-110.550 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -124.777-110.380 2.821 1.00 0.00 H new ATOM 483 N GLU A 65 -121.474-109.271 1.866 1.00 0.00 N ATOM 484 CA GLU A 65 -120.877-109.035 0.548 1.00 0.00 C ATOM 485 C GLU A 65 -121.159-110.213 -0.355 1.00 0.00 C ATOM 486 O GLU A 65 -121.786-110.077 -1.404 1.00 0.00 O ATOM 487 CB GLU A 65 -119.340-108.748 0.601 1.00 0.00 C ATOM 488 CG GLU A 65 -118.750-108.043 -0.646 1.00 0.00 C ATOM 489 CD GLU A 65 -119.504-106.762 -1.008 1.00 0.00 C ATOM 490 OE1 GLU A 65 -119.604-105.856 -0.140 1.00 0.00 O ATOM 491 OE2 GLU A 65 -119.995-106.677 -2.166 1.00 0.00 O ATOM 0 H GLU A 65 -120.892-109.844 2.477 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.340-108.133 0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.133-108.133 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -118.816-109.693 0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -117.702-107.804 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -118.777-108.728 -1.493 1.00 0.00 H new ATOM 498 N PHE A 66 -120.688-111.416 0.057 1.00 0.00 N ATOM 499 CA PHE A 66 -120.868-112.631 -0.704 1.00 0.00 C ATOM 500 C PHE A 66 -120.493-113.748 0.242 1.00 0.00 C ATOM 501 O PHE A 66 -119.946-113.535 1.329 1.00 0.00 O ATOM 502 CB PHE A 66 -120.101-112.700 -2.092 1.00 0.00 C ATOM 503 CG PHE A 66 -118.589-112.685 -1.995 1.00 0.00 C ATOM 504 CD1 PHE A 66 -117.937-111.579 -1.510 1.00 0.00 C ATOM 505 CD2 PHE A 66 -117.831-113.797 -2.292 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.600-111.606 -1.211 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.477-113.826 -2.022 1.00 0.00 C ATOM 508 CZ PHE A 66 -115.852-112.728 -1.458 1.00 0.00 C ATOM 0 H PHE A 66 -120.176-111.548 0.929 1.00 0.00 H new ATOM 0 HA PHE A 66 -121.902-112.701 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.407-113.607 -2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.418-111.857 -2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.492-110.664 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.303-114.658 -2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.131-110.735 -0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -115.903-114.711 -2.252 1.00 0.00 H new ATOM 0 HZ PHE A 66 -114.799-112.754 -1.218 1.00 0.00 H new ATOM 518 N THR A 67 -120.744-114.995 -0.185 1.00 0.00 N ATOM 519 CA THR A 67 -120.385-116.191 0.546 1.00 0.00 C ATOM 520 C THR A 67 -119.734-117.020 -0.528 1.00 0.00 C ATOM 521 O THR A 67 -120.252-117.136 -1.642 1.00 0.00 O ATOM 522 CB THR A 67 -121.576-116.873 1.248 1.00 0.00 C ATOM 523 OG1 THR A 67 -121.207-118.050 1.967 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.738-117.220 0.294 1.00 0.00 C ATOM 0 H THR A 67 -121.213-115.190 -1.069 1.00 0.00 H new ATOM 0 HA THR A 67 -119.730-116.005 1.397 1.00 0.00 H new ATOM 0 HB THR A 67 -121.921-116.119 1.956 1.00 0.00 H new ATOM 0 HG1 THR A 67 -122.001-118.437 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 67 -123.541-117.697 0.857 1.00 0.00 H new ATOM 0 HG22 THR A 67 -123.113-116.308 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.383-117.901 -0.479 1.00 0.00 H new ATOM 532 N ALA A 68 -118.558-117.594 -0.220 1.00 0.00 N ATOM 533 CA ALA A 68 -117.853-118.369 -1.249 1.00 0.00 C ATOM 534 C ALA A 68 -116.960-119.475 -0.730 1.00 0.00 C ATOM 535 O ALA A 68 -116.548-119.510 0.431 1.00 0.00 O ATOM 536 CB ALA A 68 -117.022-117.464 -2.204 1.00 0.00 C ATOM 0 H ALA A 68 -118.095-117.541 0.688 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.667-118.848 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.520-118.084 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.685-116.760 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.278-116.913 -1.628 1.00 0.00 H new ATOM 542 N ALA A 69 -116.579-120.402 -1.667 1.00 0.00 N ATOM 543 CA ALA A 69 -115.546-121.401 -1.464 1.00 0.00 C ATOM 544 C ALA A 69 -114.236-120.716 -1.876 1.00 0.00 C ATOM 545 O ALA A 69 -114.034-120.317 -3.024 1.00 0.00 O ATOM 546 CB ALA A 69 -115.799-122.700 -2.262 1.00 0.00 C ATOM 0 H ALA A 69 -117.006-120.453 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.521-121.731 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.993-123.408 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.748-123.138 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.834-122.472 -3.327 1.00 0.00 H new ATOM 552 N ALA A 70 -113.359-120.516 -0.877 1.00 0.00 N ATOM 553 CA ALA A 70 -112.171-119.715 -1.003 1.00 0.00 C ATOM 554 C ALA A 70 -111.383-119.993 0.240 1.00 0.00 C ATOM 555 O ALA A 70 -111.882-120.572 1.209 1.00 0.00 O ATOM 556 CB ALA A 70 -112.479-118.199 -0.994 1.00 0.00 C ATOM 0 H ALA A 70 -113.476-120.923 0.051 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.666-119.956 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.549-117.638 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.138-117.957 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.967-117.932 -0.056 1.00 0.00 H new ATOM 562 N HIS A 71 -110.122-119.515 0.287 1.00 0.00 N ATOM 563 CA HIS A 71 -109.377-119.546 1.535 1.00 0.00 C ATOM 564 C HIS A 71 -108.503-118.305 1.525 1.00 0.00 C ATOM 565 O HIS A 71 -107.932-117.929 0.493 1.00 0.00 O ATOM 566 CB HIS A 71 -108.683-120.906 1.879 1.00 0.00 C ATOM 567 CG HIS A 71 -109.250-121.614 3.099 1.00 0.00 C ATOM 568 ND1 HIS A 71 -110.590-121.619 3.412 1.00 0.00 N ATOM 569 CD2 HIS A 71 -108.641-122.268 4.128 1.00 0.00 C ATOM 570 CE1 HIS A 71 -110.729-122.220 4.620 1.00 0.00 C ATOM 571 NE2 HIS A 71 -109.569-122.619 5.104 1.00 0.00 N ATOM 0 H HIS A 71 -109.621-119.116 -0.507 1.00 0.00 H new ATOM 0 HA HIS A 71 -110.050-119.506 2.392 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -108.767-121.570 1.018 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.620-120.726 2.041 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -111.343-121.239 2.839 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -107.584-122.484 4.179 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -111.675-122.355 5.124 1.00 0.00 H new ATOM 579 N VAL A 72 -108.466-117.618 2.704 1.00 0.00 N ATOM 580 CA VAL A 72 -107.790-116.346 3.018 1.00 0.00 C ATOM 581 C VAL A 72 -106.625-116.801 3.923 1.00 0.00 C ATOM 582 O VAL A 72 -106.844-117.121 5.085 1.00 0.00 O ATOM 583 CB VAL A 72 -108.770-115.358 3.750 1.00 0.00 C ATOM 584 CG1 VAL A 72 -108.037-114.251 4.533 1.00 0.00 C ATOM 585 CG2 VAL A 72 -109.864-114.604 2.930 1.00 0.00 C ATOM 0 H VAL A 72 -108.954-117.981 3.523 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.449-115.794 2.143 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.282-116.094 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -108.768-113.602 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -107.397-114.704 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -107.427-113.663 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -110.445-113.968 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -109.387-113.989 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.524-115.328 2.452 1.00 0.00 H new ATOM 595 N GLN A 73 -105.354-116.919 3.454 1.00 0.00 N ATOM 596 CA GLN A 73 -104.282-117.544 4.247 1.00 0.00 C ATOM 597 C GLN A 73 -103.214-116.547 4.661 1.00 0.00 C ATOM 598 O GLN A 73 -102.802-115.759 3.805 1.00 0.00 O ATOM 599 CB GLN A 73 -103.640-118.715 3.446 1.00 0.00 C ATOM 600 CG GLN A 73 -104.304-120.078 3.761 1.00 0.00 C ATOM 601 CD GLN A 73 -103.940-120.537 5.179 1.00 0.00 C ATOM 602 OE1 GLN A 73 -102.766-120.546 5.565 1.00 0.00 O ATOM 603 NE2 GLN A 73 -104.967-120.920 5.979 1.00 0.00 N ATOM 0 H GLN A 73 -105.057-116.589 2.536 1.00 0.00 H new ATOM 0 HA GLN A 73 -104.736-117.929 5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -103.724-118.511 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -102.576-118.770 3.677 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -105.387-119.992 3.667 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -103.979-120.824 3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -105.924-120.899 5.626 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -104.782-121.228 6.934 1.00 0.00 H new ATOM 612 N PRO A 74 -102.732-116.459 5.941 1.00 0.00 N ATOM 613 CA PRO A 74 -101.590-115.618 6.302 1.00 0.00 C ATOM 614 C PRO A 74 -100.256-116.210 5.799 1.00 0.00 C ATOM 615 O PRO A 74 -99.948-117.368 6.075 1.00 0.00 O ATOM 616 CB PRO A 74 -101.692-115.583 7.839 1.00 0.00 C ATOM 617 CG PRO A 74 -102.245-116.957 8.241 1.00 0.00 C ATOM 618 CD PRO A 74 -103.141-117.328 7.050 1.00 0.00 C ATOM 0 HA PRO A 74 -101.609-114.626 5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -100.718-115.403 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -102.352-114.781 8.171 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -101.448-117.686 8.389 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -102.810-116.909 9.172 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -103.021-118.379 6.785 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -104.193-117.179 7.293 1.00 0.00 H new ATOM 626 N ILE A 75 -99.431-115.409 5.091 1.00 0.00 N ATOM 627 CA ILE A 75 -98.113-115.864 4.581 1.00 0.00 C ATOM 628 C ILE A 75 -97.182-114.664 4.642 1.00 0.00 C ATOM 629 O ILE A 75 -96.185-114.627 5.357 1.00 0.00 O ATOM 630 CB ILE A 75 -98.077-116.525 3.171 1.00 0.00 C ATOM 631 CG1 ILE A 75 -99.189-117.594 2.975 1.00 0.00 C ATOM 632 CG2 ILE A 75 -96.682-117.173 2.958 1.00 0.00 C ATOM 633 CD1 ILE A 75 -99.142-118.349 1.639 1.00 0.00 C ATOM 0 H ILE A 75 -99.652-114.441 4.858 1.00 0.00 H new ATOM 0 HA ILE A 75 -97.803-116.689 5.222 1.00 0.00 H new ATOM 0 HB ILE A 75 -98.261-115.744 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -99.121-118.319 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -100.160-117.106 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -96.644-117.640 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -95.910-116.406 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -96.511-117.929 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -99.958-119.071 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -99.245-117.641 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -98.190-118.872 1.550 1.00 0.00 H new ATOM 894 N GLY A 91 -99.918-110.042 6.941 1.00 0.00 N ATOM 895 CA GLY A 91 -100.936-109.813 5.948 1.00 0.00 C ATOM 896 C GLY A 91 -101.606-111.073 5.561 1.00 0.00 C ATOM 897 O GLY A 91 -101.354-112.154 6.096 1.00 0.00 O ATOM 0 HA2 GLY A 91 -101.674-109.111 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.490-109.351 5.067 1.00 0.00 H new ATOM 901 N TYR A 92 -102.524-110.934 4.588 1.00 0.00 N ATOM 902 CA TYR A 92 -103.335-112.004 4.051 1.00 0.00 C ATOM 903 C TYR A 92 -103.158-112.136 2.563 1.00 0.00 C ATOM 904 O TYR A 92 -103.342-111.191 1.798 1.00 0.00 O ATOM 905 CB TYR A 92 -104.836-111.800 4.390 1.00 0.00 C ATOM 906 CG TYR A 92 -105.041-112.422 5.727 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.107-113.789 5.728 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.086-111.744 6.930 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.353-114.490 6.878 1.00 0.00 C ATOM 910 CE2 TYR A 92 -105.189-112.460 8.112 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.328-113.835 8.084 1.00 0.00 C ATOM 912 OH TYR A 92 -105.419-114.577 9.278 1.00 0.00 O ATOM 0 H TYR A 92 -102.717-110.034 4.148 1.00 0.00 H new ATOM 0 HA TYR A 92 -102.995-112.927 4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.092-110.741 4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.473-112.268 3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -104.962-114.326 4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -105.041-110.665 6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.565-115.548 6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -105.161-111.942 9.059 1.00 0.00 H new ATOM 0 HH TYR A 92 -104.933-114.111 9.990 1.00 0.00 H new ATOM 922 N ASN A 93 -102.830-113.377 2.126 1.00 0.00 N ATOM 923 CA ASN A 93 -102.668-113.763 0.743 1.00 0.00 C ATOM 924 C ASN A 93 -103.882-114.651 0.484 1.00 0.00 C ATOM 925 O ASN A 93 -104.108-115.653 1.160 1.00 0.00 O ATOM 926 CB ASN A 93 -101.324-114.539 0.613 1.00 0.00 C ATOM 927 CG ASN A 93 -100.185-113.698 1.203 1.00 0.00 C ATOM 928 OD1 ASN A 93 -99.743-113.857 2.347 1.00 0.00 O ATOM 929 ND2 ASN A 93 -99.665-112.729 0.404 1.00 0.00 N ATOM 0 H ASN A 93 -102.669-114.151 2.770 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.623-112.940 0.030 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -101.392-115.494 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.121-114.761 -0.435 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -98.911-112.134 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -100.029-112.597 -0.540 1.00 0.00 H new ATOM 936 N ILE A 94 -104.758-114.273 -0.475 1.00 0.00 N ATOM 937 CA ILE A 94 -106.047-114.925 -0.684 1.00 0.00 C ATOM 938 C ILE A 94 -106.263-115.310 -2.126 1.00 0.00 C ATOM 939 O ILE A 94 -105.863-114.585 -3.042 1.00 0.00 O ATOM 940 CB ILE A 94 -107.217-113.995 -0.297 1.00 0.00 C ATOM 941 CG1 ILE A 94 -106.986-113.291 1.059 1.00 0.00 C ATOM 942 CG2 ILE A 94 -108.573-114.746 -0.315 1.00 0.00 C ATOM 943 CD1 ILE A 94 -106.526-111.848 0.882 1.00 0.00 C ATOM 0 H ILE A 94 -104.579-113.504 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.027-115.814 -0.054 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.257-113.215 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -107.909-113.309 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -106.240-113.842 1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -109.373-114.059 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -108.760-115.135 -1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -108.541-115.572 0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -106.376-111.391 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -105.589-111.831 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -107.284-111.289 0.333 1.00 0.00 H new ATOM 955 N TYR A 95 -107.022-116.424 -2.326 1.00 0.00 N ATOM 956 CA TYR A 95 -107.547-116.829 -3.616 1.00 0.00 C ATOM 957 C TYR A 95 -109.062-117.093 -3.419 1.00 0.00 C ATOM 958 O TYR A 95 -109.502-117.682 -2.418 1.00 0.00 O ATOM 959 CB TYR A 95 -106.646-117.943 -4.296 1.00 0.00 C ATOM 960 CG TYR A 95 -107.243-119.315 -4.493 1.00 0.00 C ATOM 961 CD1 TYR A 95 -107.841-119.934 -3.421 1.00 0.00 C ATOM 962 CD2 TYR A 95 -107.305-119.937 -5.729 1.00 0.00 C ATOM 963 CE1 TYR A 95 -108.660-121.010 -3.614 1.00 0.00 C ATOM 964 CE2 TYR A 95 -107.989-121.131 -5.880 1.00 0.00 C ATOM 965 CZ TYR A 95 -108.652-121.691 -4.805 1.00 0.00 C ATOM 966 OH TYR A 95 -109.269-122.962 -4.862 1.00 0.00 O ATOM 0 H TYR A 95 -107.277-117.060 -1.570 1.00 0.00 H new ATOM 0 HA TYR A 95 -107.486-116.056 -4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -106.335-117.571 -5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -105.743-118.055 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -107.662-119.568 -2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -106.816-119.487 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -109.321-121.328 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -108.004-121.626 -6.840 1.00 0.00 H new ATOM 0 HH TYR A 95 -109.187-123.325 -5.769 1.00 0.00 H new ATOM 976 N THR A 96 -109.888-116.669 -4.403 1.00 0.00 N ATOM 977 CA THR A 96 -111.309-117.002 -4.503 1.00 0.00 C ATOM 978 C THR A 96 -111.457-117.239 -5.994 1.00 0.00 C ATOM 979 O THR A 96 -110.871-116.425 -6.718 1.00 0.00 O ATOM 980 CB THR A 96 -112.296-115.883 -4.102 1.00 0.00 C ATOM 981 OG1 THR A 96 -112.037-115.409 -2.792 1.00 0.00 O ATOM 982 CG2 THR A 96 -113.747-116.411 -4.114 1.00 0.00 C ATOM 0 H THR A 96 -109.566-116.071 -5.164 1.00 0.00 H new ATOM 0 HA THR A 96 -111.551-117.822 -3.828 1.00 0.00 H new ATOM 0 HB THR A 96 -112.166-115.078 -4.825 1.00 0.00 H new ATOM 0 HG1 THR A 96 -112.873-115.097 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 96 -114.428-115.609 -3.829 1.00 0.00 H new ATOM 0 HG22 THR A 96 -113.998-116.762 -5.115 1.00 0.00 H new ATOM 0 HG23 THR A 96 -113.840-117.235 -3.406 1.00 0.00 H new ATOM 990 N PRO A 97 -112.168-118.235 -6.598 1.00 0.00 N ATOM 991 CA PRO A 97 -112.442-118.271 -8.049 1.00 0.00 C ATOM 992 C PRO A 97 -113.420-117.116 -8.386 1.00 0.00 C ATOM 993 O PRO A 97 -114.449-116.941 -7.737 1.00 0.00 O ATOM 994 CB PRO A 97 -113.041-119.683 -8.245 1.00 0.00 C ATOM 995 CG PRO A 97 -113.727-120.007 -6.910 1.00 0.00 C ATOM 996 CD PRO A 97 -112.802-119.343 -5.885 1.00 0.00 C ATOM 0 HA PRO A 97 -111.585-118.123 -8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -113.753-119.699 -9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -112.266-120.413 -8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.738-119.602 -6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -113.807-121.082 -6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -113.364-118.985 -5.022 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.059-120.047 -5.512 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.978-116.284 -9.347 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.408-115.007 -9.891 1.00 0.00 C ATOM 1006 C TYR A 98 -114.050-113.919 -9.010 1.00 0.00 C ATOM 1007 O TYR A 98 -114.651-112.980 -9.520 1.00 0.00 O ATOM 1008 CB TYR A 98 -114.079-115.189 -11.286 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.716-114.084 -12.262 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -112.400-113.686 -12.483 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -114.723-113.425 -12.941 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -112.120-112.638 -13.335 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -114.438-112.388 -13.806 1.00 0.00 C ATOM 1014 CZ TYR A 98 -113.133-112.010 -14.020 1.00 0.00 C ATOM 1015 OH TYR A 98 -112.829-111.022 -14.976 1.00 0.00 O ATOM 0 H TYR A 98 -112.138-116.569 -9.850 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.446-114.503 -9.981 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -113.781-116.150 -11.705 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -115.162-115.217 -11.162 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.593-114.202 -11.984 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -115.749-113.726 -12.792 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -111.100-112.309 -13.465 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -115.240-111.873 -14.315 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.659-110.680 -15.368 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.911-113.972 -7.658 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.441-112.926 -6.759 1.00 0.00 C ATOM 1027 C ASP A 99 -113.309-112.036 -6.276 1.00 0.00 C ATOM 1028 O ASP A 99 -112.294-112.532 -5.800 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.245-113.450 -5.538 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.446-114.275 -6.009 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -117.297-113.709 -6.747 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.535-115.473 -5.631 1.00 0.00 O ATOM 0 H ASP A 99 -113.435-114.732 -7.172 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.155-112.366 -7.363 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.601-114.060 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.586-112.611 -4.931 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.450-110.697 -6.410 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.428-109.686 -6.106 1.00 0.00 C ATOM 1039 C ASP A 100 -112.759-108.843 -4.881 1.00 0.00 C ATOM 1040 O ASP A 100 -112.286-107.715 -4.747 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.221-108.693 -7.306 1.00 0.00 C ATOM 1042 CG ASP A 100 -111.788-109.390 -8.605 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -112.612-110.135 -9.200 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -110.623-109.160 -9.032 1.00 0.00 O ATOM 0 H ASP A 100 -114.318-110.281 -6.748 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.523-110.262 -5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -113.150-108.152 -7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.469-107.953 -7.031 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.609-109.356 -3.963 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.110-108.555 -2.858 1.00 0.00 C ATOM 1051 C ARG A 101 -113.348-108.649 -1.546 1.00 0.00 C ATOM 1052 O ARG A 101 -113.001-107.583 -1.054 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.619-108.826 -2.687 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.515-108.243 -3.795 1.00 0.00 C ATOM 1055 CD ARG A 101 -116.627-106.712 -3.743 1.00 0.00 C ATOM 1056 NE ARG A 101 -117.607-106.262 -4.791 1.00 0.00 N ATOM 1057 CZ ARG A 101 -118.030-104.964 -4.903 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -117.571-104.001 -4.051 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -118.924-104.631 -5.879 1.00 0.00 N ATOM 0 H ARG A 101 -113.952-110.316 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 101 -113.936-107.517 -3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.776-109.904 -2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -115.940-108.417 -1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.119-108.539 -4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -117.512-108.676 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -116.957-106.391 -2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -115.652-106.256 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 101 -117.972-106.953 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -116.904-104.244 -3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -117.895-103.039 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -119.272-105.346 -6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -119.244-103.667 -5.970 1.00 0.00 H new ATOM 1073 N ILE A 102 -113.021-109.854 -0.961 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.303-110.197 0.275 1.00 0.00 C ATOM 1075 C ILE A 102 -111.735-109.121 1.184 1.00 0.00 C ATOM 1076 O ILE A 102 -112.202-108.873 2.293 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.202-111.206 -0.054 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -111.796-112.393 -0.855 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -110.481-111.668 1.235 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -111.656-112.264 -2.377 1.00 0.00 C ATOM 0 H ILE A 102 -113.307-110.713 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.118-110.577 0.891 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.450-110.728 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -111.307-113.313 -0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -112.853-112.490 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -109.702-112.385 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -110.033-110.806 1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -111.200-112.138 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -112.098-113.137 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -112.170-111.364 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -110.600-112.199 -2.641 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.658-108.500 0.676 1.00 0.00 N ATOM 1093 CA ASP A 103 -109.906-107.445 1.305 1.00 0.00 C ATOM 1094 C ASP A 103 -109.884-106.273 0.323 1.00 0.00 C ATOM 1095 O ASP A 103 -109.227-106.348 -0.713 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.481-108.046 1.558 1.00 0.00 C ATOM 1097 CG ASP A 103 -107.716-107.419 2.715 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -108.148-106.347 3.202 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -106.705-108.031 3.153 1.00 0.00 O ATOM 0 H ASP A 103 -110.281-108.748 -0.239 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.319-107.086 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.582-109.115 1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -107.890-107.936 0.649 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.566-105.156 0.668 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.641-103.956 -0.161 1.00 0.00 C ATOM 1106 C LYS A 104 -111.535-102.990 0.591 1.00 0.00 C ATOM 1107 O LYS A 104 -112.567-102.548 0.094 1.00 0.00 O ATOM 1108 CB LYS A 104 -111.186-104.172 -1.616 1.00 0.00 C ATOM 1109 CG LYS A 104 -110.888-103.007 -2.581 1.00 0.00 C ATOM 1110 CD LYS A 104 -111.354-103.312 -4.014 1.00 0.00 C ATOM 1111 CE LYS A 104 -110.996-102.199 -5.006 1.00 0.00 C ATOM 1112 NZ LYS A 104 -111.474-102.527 -6.370 1.00 0.00 N ATOM 0 H LYS A 104 -111.082-105.074 1.544 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.627-103.587 -0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -110.753-105.086 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -112.264-104.324 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -111.383-102.104 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -109.817-102.803 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -110.903-104.247 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -112.434-103.460 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -111.439-101.259 -4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -109.916-102.054 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -110.832-102.108 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -111.494-103.560 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -112.432-102.144 -6.504 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.171-102.676 1.867 1.00 0.00 N ATOM 1127 CA LYS A 105 -111.885-101.853 2.845 1.00 0.00 C ATOM 1128 C LYS A 105 -113.106-102.573 3.412 1.00 0.00 C ATOM 1129 O LYS A 105 -114.219-102.050 3.422 1.00 0.00 O ATOM 1130 CB LYS A 105 -112.155-100.394 2.388 1.00 0.00 C ATOM 1131 CG LYS A 105 -110.847 -99.612 2.171 1.00 0.00 C ATOM 1132 CD LYS A 105 -111.076 -98.163 1.711 1.00 0.00 C ATOM 1133 CE LYS A 105 -109.784 -97.333 1.653 1.00 0.00 C ATOM 1134 NZ LYS A 105 -108.812 -97.905 0.692 1.00 0.00 N ATOM 0 H LYS A 105 -110.296-103.029 2.254 1.00 0.00 H new ATOM 0 HA LYS A 105 -111.198-101.720 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -112.731-100.404 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -112.763 -99.885 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -110.277 -99.605 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -110.240-100.130 1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -111.539 -98.171 0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -111.780 -97.681 2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -110.021 -96.309 1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -109.334 -97.290 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -107.966 -97.301 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -108.541 -98.861 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -109.245 -97.955 -0.252 1.00 0.00 H new ATOM 1148 N MET A 106 -112.896-103.831 3.888 1.00 0.00 N ATOM 1149 CA MET A 106 -114.001-104.673 4.353 1.00 0.00 C ATOM 1150 C MET A 106 -113.518-105.798 5.244 1.00 0.00 C ATOM 1151 O MET A 106 -112.343-105.849 5.610 1.00 0.00 O ATOM 1152 CB MET A 106 -114.821-105.216 3.172 1.00 0.00 C ATOM 1153 CG MET A 106 -114.149-106.215 2.220 1.00 0.00 C ATOM 1154 SD MET A 106 -115.324-106.886 1.005 1.00 0.00 S ATOM 1155 CE MET A 106 -115.382-105.406 -0.049 1.00 0.00 C ATOM 0 H MET A 106 -111.977-104.268 3.954 1.00 0.00 H new ATOM 0 HA MET A 106 -114.654-104.042 4.955 1.00 0.00 H new ATOM 0 HB2 MET A 106 -115.714-105.692 3.578 1.00 0.00 H new ATOM 0 HB3 MET A 106 -115.155-104.364 2.579 1.00 0.00 H new ATOM 0 HG2 MET A 106 -113.328-105.724 1.698 1.00 0.00 H new ATOM 0 HG3 MET A 106 -113.717-107.032 2.797 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.389-104.988 -0.035 1.00 0.00 H new ATOM 0 HE2 MET A 106 -114.676-104.665 0.326 1.00 0.00 H new ATOM 0 HE3 MET A 106 -115.116-105.676 -1.071 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.395-106.767 5.628 1.00 0.00 N ATOM 1166 CA ARG A 107 -113.998-107.802 6.571 1.00 0.00 C ATOM 1167 C ARG A 107 -114.449-109.206 6.232 1.00 0.00 C ATOM 1168 O ARG A 107 -115.578-109.487 5.826 1.00 0.00 O ATOM 1169 CB ARG A 107 -114.417-107.417 8.015 1.00 0.00 C ATOM 1170 CG ARG A 107 -113.268-107.610 9.020 1.00 0.00 C ATOM 1171 CD ARG A 107 -113.518-106.969 10.389 1.00 0.00 C ATOM 1172 NE ARG A 107 -112.263-107.143 11.203 1.00 0.00 N ATOM 1173 CZ ARG A 107 -112.152-106.750 12.510 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -113.198-106.156 13.154 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -110.980-106.965 13.177 1.00 0.00 N ATOM 0 H ARG A 107 -115.357-106.837 5.297 1.00 0.00 H new ATOM 0 HA ARG A 107 -112.911-107.842 6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -114.743-106.377 8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -115.270-108.024 8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -113.095-108.677 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -112.355-107.191 8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -113.761-105.912 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -114.366-107.441 10.885 1.00 0.00 H new ATOM 0 HE ARG A 107 -111.454-107.576 10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -114.077-105.999 12.662 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -113.100-105.869 14.128 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -110.198-107.415 12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -110.887-106.676 14.151 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.518-110.153 6.476 1.00 0.00 N ATOM 1190 CA VAL A 108 -113.742-111.566 6.300 1.00 0.00 C ATOM 1191 C VAL A 108 -113.658-112.250 7.643 1.00 0.00 C ATOM 1192 O VAL A 108 -112.741-112.051 8.455 1.00 0.00 O ATOM 1193 CB VAL A 108 -112.808-112.209 5.258 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -111.309-112.020 5.555 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.137-113.705 5.052 1.00 0.00 C ATOM 0 H VAL A 108 -112.579-109.931 6.806 1.00 0.00 H new ATOM 0 HA VAL A 108 -114.743-111.700 5.890 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.002-111.670 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -110.720-112.502 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -111.075-110.956 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -111.070-112.468 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.459-114.128 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.019-114.237 5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -114.165-113.807 4.704 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.625-113.189 7.850 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.526-114.173 8.896 1.00 0.00 C ATOM 1207 C ILE A 109 -114.104-115.407 8.098 1.00 0.00 C ATOM 1208 O ILE A 109 -114.852-116.029 7.321 1.00 0.00 O ATOM 1209 CB ILE A 109 -115.778-114.266 9.768 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -115.585-115.238 10.953 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -117.058-114.567 8.966 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -116.538-114.938 12.115 1.00 0.00 C ATOM 0 H ILE A 109 -115.473-113.261 7.288 1.00 0.00 H new ATOM 0 HA ILE A 109 -113.810-113.957 9.689 1.00 0.00 H new ATOM 0 HB ILE A 109 -115.925-113.272 10.190 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -115.744-116.260 10.611 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -114.555-115.177 11.306 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.909-114.620 9.645 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -117.225-113.775 8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -116.947-115.520 8.448 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -116.362-115.649 12.922 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -116.362-113.926 12.478 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -117.569-115.026 11.772 1.00 0.00 H new ATOM 1224 N TYR A 110 -112.787-115.695 8.300 1.00 0.00 N ATOM 1225 CA TYR A 110 -111.980-116.747 7.734 1.00 0.00 C ATOM 1226 C TYR A 110 -111.977-117.858 8.774 1.00 0.00 C ATOM 1227 O TYR A 110 -111.342-117.720 9.813 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.532-116.192 7.428 1.00 0.00 C ATOM 1229 CG TYR A 110 -109.552-117.300 7.104 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -109.769-118.090 5.995 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -108.638-117.712 8.060 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.163-119.323 5.892 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -108.034-118.949 7.959 1.00 0.00 C ATOM 1234 CZ TYR A 110 -108.333-119.774 6.898 1.00 0.00 C ATOM 1235 OH TYR A 110 -107.870-121.107 6.898 1.00 0.00 O ATOM 0 H TYR A 110 -112.233-115.119 8.934 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.365-117.124 6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.581-115.496 6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.171-115.630 8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -110.416-117.741 5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -108.397-117.062 8.888 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -109.338-119.938 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -107.328-119.269 8.711 1.00 0.00 H new ATOM 0 HH TYR A 110 -108.568-121.696 6.543 1.00 0.00 H new ATOM 1245 N ARG A 111 -112.707-118.981 8.532 1.00 0.00 N ATOM 1246 CA ARG A 111 -112.818-120.189 9.371 1.00 0.00 C ATOM 1247 C ARG A 111 -113.032-120.011 10.903 1.00 0.00 C ATOM 1248 O ARG A 111 -112.546-120.772 11.739 1.00 0.00 O ATOM 1249 CB ARG A 111 -111.624-121.133 9.022 1.00 0.00 C ATOM 1250 CG ARG A 111 -111.830-122.652 9.216 1.00 0.00 C ATOM 1251 CD ARG A 111 -112.685-123.357 8.142 1.00 0.00 C ATOM 1252 NE ARG A 111 -114.144-123.074 8.376 1.00 0.00 N ATOM 1253 CZ ARG A 111 -115.145-123.581 7.591 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -114.865-124.401 6.537 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -116.442-123.255 7.867 1.00 0.00 N ATOM 0 H ARG A 111 -113.269-119.064 7.685 1.00 0.00 H new ATOM 0 HA ARG A 111 -113.776-120.638 9.110 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -111.354-120.961 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -110.769-120.830 9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -110.851-123.131 9.246 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -112.295-122.815 10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -112.394-123.012 7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -112.506-124.432 8.171 1.00 0.00 H new ATOM 0 HE ARG A 111 -114.401-122.474 9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -113.898-124.645 6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -115.623-124.770 5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -116.657-122.639 8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -117.195-123.627 7.289 1.00 0.00 H new ATOM 1269 N GLY A 112 -113.767-118.918 11.269 1.00 0.00 N ATOM 1270 CA GLY A 112 -113.988-118.402 12.620 1.00 0.00 C ATOM 1271 C GLY A 112 -113.031-117.325 13.100 1.00 0.00 C ATOM 1272 O GLY A 112 -113.124-116.901 14.247 1.00 0.00 O ATOM 0 H GLY A 112 -114.244-118.350 10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.002-118.005 12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -113.937-119.238 13.317 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.094-116.822 12.253 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.133-115.779 12.586 1.00 0.00 C ATOM 1278 C LYS A 113 -111.494-114.507 11.829 1.00 0.00 C ATOM 1279 O LYS A 113 -111.503-114.483 10.596 1.00 0.00 O ATOM 1280 CB LYS A 113 -109.704-116.257 12.211 1.00 0.00 C ATOM 1281 CG LYS A 113 -108.543-115.439 12.801 1.00 0.00 C ATOM 1282 CD LYS A 113 -107.185-116.043 12.401 1.00 0.00 C ATOM 1283 CE LYS A 113 -105.981-115.452 13.148 1.00 0.00 C ATOM 1284 NZ LYS A 113 -105.808-114.011 12.858 1.00 0.00 N ATOM 0 H LYS A 113 -111.998-117.153 11.293 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.159-115.570 13.655 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -109.593-117.293 12.532 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -109.613-116.249 11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -108.604-114.409 12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -108.627-115.412 13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -107.214-117.118 12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -107.039-115.899 11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -106.113-115.594 14.221 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -105.077-115.991 12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -105.017-113.636 13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -105.606-113.882 11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -106.680-113.500 13.105 1.00 0.00 H new ATOM 1298 N ILE A 114 -111.811-113.398 12.559 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.180-112.107 11.979 1.00 0.00 C ATOM 1300 C ILE A 114 -110.953-111.193 11.816 1.00 0.00 C ATOM 1301 O ILE A 114 -110.346-110.685 12.764 1.00 0.00 O ATOM 1302 CB ILE A 114 -113.383-111.507 12.704 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -114.005-110.342 11.902 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -113.081-111.152 14.180 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -115.479-110.118 12.242 1.00 0.00 C ATOM 0 H ILE A 114 -111.812-113.394 13.579 1.00 0.00 H new ATOM 0 HA ILE A 114 -112.530-112.246 10.956 1.00 0.00 H new ATOM 0 HB ILE A 114 -114.146-112.284 12.757 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -113.446-109.428 12.103 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -113.909-110.547 10.836 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -113.973-110.730 14.643 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -112.785-112.053 14.718 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -112.272-110.423 14.221 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -115.867-109.288 11.651 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -116.046-111.021 12.016 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -115.576-109.885 13.302 1.00 0.00 H new ATOM 1317 N VAL A 115 -110.550-111.063 10.525 1.00 0.00 N ATOM 1318 CA VAL A 115 -109.371-110.396 9.987 1.00 0.00 C ATOM 1319 C VAL A 115 -109.674-109.483 8.799 1.00 0.00 C ATOM 1320 O VAL A 115 -110.702-109.618 8.122 1.00 0.00 O ATOM 1321 CB VAL A 115 -108.293-111.414 9.570 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -107.557-111.901 10.832 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -108.913-112.597 8.786 1.00 0.00 C ATOM 0 H VAL A 115 -111.109-111.468 9.774 1.00 0.00 H new ATOM 0 HA VAL A 115 -109.003-109.771 10.801 1.00 0.00 H new ATOM 0 HB VAL A 115 -107.580-110.933 8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -106.790-112.623 10.550 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -107.090-111.052 11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -108.269-112.373 11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.128-113.299 8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -109.646-113.105 9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.402-112.221 7.887 1.00 0.00 H new ATOM 1333 N THR A 116 -108.681-108.585 8.480 1.00 0.00 N ATOM 1334 CA THR A 116 -108.484-107.838 7.211 1.00 0.00 C ATOM 1335 C THR A 116 -108.457-106.315 7.141 1.00 0.00 C ATOM 1336 O THR A 116 -107.546-105.670 7.656 1.00 0.00 O ATOM 1337 CB THR A 116 -108.999-108.452 5.890 1.00 0.00 C ATOM 1338 OG1 THR A 116 -110.415-108.524 5.868 1.00 0.00 O ATOM 1339 CG2 THR A 116 -108.401-109.856 5.634 1.00 0.00 C ATOM 0 H THR A 116 -107.954-108.357 9.158 1.00 0.00 H new ATOM 0 HA THR A 116 -107.425-108.071 7.321 1.00 0.00 H new ATOM 0 HB THR A 116 -108.669-107.788 5.091 1.00 0.00 H new ATOM 0 HG1 THR A 116 -110.729-109.024 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 116 -108.789-110.251 4.695 1.00 0.00 H new ATOM 0 HG22 THR A 116 -107.315-109.784 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 116 -108.677-110.523 6.450 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.417-105.740 6.377 1.00 0.00 N ATOM 1348 CA PHE A 117 -109.605-104.337 6.029 1.00 0.00 C ATOM 1349 C PHE A 117 -108.951-103.809 4.771 1.00 0.00 C ATOM 1350 O PHE A 117 -109.657-103.705 3.773 1.00 0.00 O ATOM 1351 CB PHE A 117 -109.714-103.311 7.194 1.00 0.00 C ATOM 1352 CG PHE A 117 -111.171-103.021 7.456 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -112.014-104.025 7.900 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -111.716-101.800 7.106 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -113.352-103.752 8.123 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -113.060-101.542 7.280 1.00 0.00 C ATOM 1357 CZ PHE A 117 -113.877-102.513 7.817 1.00 0.00 C ATOM 0 H PHE A 117 -110.144-106.317 5.954 1.00 0.00 H new ATOM 0 HA PHE A 117 -110.640-104.433 5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -109.242-103.709 8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -109.187-102.392 6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -111.628-105.019 8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -111.078-101.034 6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -113.991-104.516 8.540 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -113.470-100.584 6.997 1.00 0.00 H new ATOM 0 HZ PHE A 117 -114.921-102.306 7.997 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.640-103.449 4.722 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.032-102.841 3.521 1.00 0.00 C ATOM 1369 C ILE A 118 -106.294-103.822 2.590 1.00 0.00 C ATOM 1370 O ILE A 118 -105.187-104.256 2.899 1.00 0.00 O ATOM 1371 CB ILE A 118 -106.072-101.698 3.892 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -106.607-100.783 5.032 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -105.714-100.862 2.634 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -107.931-100.059 4.767 1.00 0.00 C ATOM 0 H ILE A 118 -106.992-103.571 5.500 1.00 0.00 H new ATOM 0 HA ILE A 118 -107.889-102.463 2.963 1.00 0.00 H new ATOM 0 HB ILE A 118 -105.169-102.167 4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -106.725-101.390 5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -105.847-100.033 5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -105.034-100.057 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -105.233-101.504 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -106.623-100.437 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -108.195 -99.455 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -107.825 -99.414 3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -108.716-100.792 4.583 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.855-104.128 1.380 1.00 0.00 N ATOM 1387 CA GLY A 119 -106.214-104.935 0.325 1.00 0.00 C ATOM 1388 C GLY A 119 -106.402-104.385 -1.074 1.00 0.00 C ATOM 1389 O GLY A 119 -107.114-103.402 -1.264 1.00 0.00 O ATOM 0 H GLY A 119 -107.787-103.807 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -105.147-105.007 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.615-105.948 0.363 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.746-105.018 -2.098 1.00 0.00 N ATOM 1394 CA ASP A 120 -105.761-104.644 -3.521 1.00 0.00 C ATOM 1395 C ASP A 120 -105.960-105.872 -4.462 1.00 0.00 C ATOM 1396 O ASP A 120 -105.313-106.903 -4.236 1.00 0.00 O ATOM 1397 CB ASP A 120 -104.488-103.831 -3.937 1.00 0.00 C ATOM 1398 CG ASP A 120 -103.155-104.526 -3.613 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -102.741-104.501 -2.422 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -102.531-105.077 -4.559 1.00 0.00 O ATOM 0 H ASP A 120 -105.169-105.841 -1.927 1.00 0.00 H new ATOM 0 HA ASP A 120 -106.627-103.993 -3.643 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -104.531-103.636 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -104.510-102.863 -3.436 1.00 0.00 H new ATOM 1405 N PRO A 121 -106.840-105.836 -5.508 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.141-106.971 -6.392 1.00 0.00 C ATOM 1407 C PRO A 121 -106.283-107.104 -7.678 1.00 0.00 C ATOM 1408 O PRO A 121 -105.977-106.121 -8.358 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.628-106.710 -6.725 1.00 0.00 C ATOM 1410 CG PRO A 121 -108.732-105.185 -6.819 1.00 0.00 C ATOM 1411 CD PRO A 121 -107.745-104.709 -5.753 1.00 0.00 C ATOM 0 HA PRO A 121 -106.915-107.918 -5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.916-107.187 -7.662 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -109.285-107.107 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -108.462-104.822 -7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -109.745-104.836 -6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -107.194-103.833 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.266-104.421 -4.840 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.934-108.385 -8.039 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.174-108.811 -9.218 1.00 0.00 C ATOM 1421 C VAL A 122 -105.935-109.976 -9.875 1.00 0.00 C ATOM 1422 O VAL A 122 -106.491-110.812 -9.162 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.759-109.302 -8.834 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -102.881-109.552 -10.083 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.050-108.261 -7.943 1.00 0.00 C ATOM 0 H VAL A 122 -106.204-109.181 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 122 -105.068-107.963 -9.895 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.885-110.240 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -101.895-109.896 -9.771 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.348-110.311 -10.710 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -102.780-108.626 -10.648 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.055-108.623 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -102.963-107.318 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.630-108.106 -7.033 1.00 0.00 H new ATOM 1435 N ASP A 123 -105.949-110.103 -11.235 1.00 0.00 N ATOM 1436 CA ASP A 123 -106.546-111.230 -11.968 1.00 0.00 C ATOM 1437 C ASP A 123 -105.393-112.148 -12.380 1.00 0.00 C ATOM 1438 O ASP A 123 -104.553-111.799 -13.207 1.00 0.00 O ATOM 1439 CB ASP A 123 -107.472-110.793 -13.146 1.00 0.00 C ATOM 1440 CG ASP A 123 -106.991-109.521 -13.864 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -105.876-109.533 -14.448 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -107.748-108.513 -13.830 1.00 0.00 O ATOM 0 H ASP A 123 -105.534-109.404 -11.852 1.00 0.00 H new ATOM 0 HA ASP A 123 -107.238-111.775 -11.326 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -107.536-111.607 -13.869 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -108.479-110.626 -12.764 1.00 0.00 H new ATOM 1520 N GLU A 129 -111.657-116.659 -14.401 1.00 0.00 N ATOM 1521 CA GLU A 129 -111.384-117.863 -13.616 1.00 0.00 C ATOM 1522 C GLU A 129 -110.779-117.634 -12.234 1.00 0.00 C ATOM 1523 O GLU A 129 -111.489-117.752 -11.242 1.00 0.00 O ATOM 1524 CB GLU A 129 -110.725-119.043 -14.398 1.00 0.00 C ATOM 1525 CG GLU A 129 -110.719-120.419 -13.697 1.00 0.00 C ATOM 1526 CD GLU A 129 -112.143-120.874 -13.371 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -112.942-121.056 -14.329 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -112.450-121.046 -12.160 1.00 0.00 O ATOM 0 HA GLU A 129 -112.395-118.211 -13.405 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -111.240-119.149 -15.353 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -109.694-118.770 -14.621 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -110.236-121.156 -14.339 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -110.133-120.361 -12.780 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.464-117.343 -12.080 1.00 0.00 N ATOM 1536 CA ILE A 130 -108.820-117.173 -10.776 1.00 0.00 C ATOM 1537 C ILE A 130 -108.500-115.718 -10.459 1.00 0.00 C ATOM 1538 O ILE A 130 -107.770-115.034 -11.178 1.00 0.00 O ATOM 1539 CB ILE A 130 -107.558-118.046 -10.637 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -107.885-119.546 -10.865 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -106.873-117.881 -9.253 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -108.920-120.133 -9.889 1.00 0.00 C ATOM 0 H ILE A 130 -108.827-117.221 -12.867 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.551-117.511 -10.041 1.00 0.00 H new ATOM 0 HB ILE A 130 -106.866-117.701 -11.406 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -108.253-119.673 -11.883 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -106.963-120.121 -10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -105.989-118.517 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -106.579-116.841 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -107.569-118.169 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -109.086-121.185 -10.123 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -108.549-120.043 -8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -109.859-119.588 -9.983 1.00 0.00 H new ATOM 1554 N THR A 131 -108.996-115.251 -9.281 1.00 0.00 N ATOM 1555 CA THR A 131 -108.670-113.963 -8.681 1.00 0.00 C ATOM 1556 C THR A 131 -107.761-114.216 -7.490 1.00 0.00 C ATOM 1557 O THR A 131 -108.029-115.104 -6.671 1.00 0.00 O ATOM 1558 CB THR A 131 -109.906-113.218 -8.195 1.00 0.00 C ATOM 1559 OG1 THR A 131 -110.738-112.930 -9.308 1.00 0.00 O ATOM 1560 CG2 THR A 131 -109.554-111.870 -7.531 1.00 0.00 C ATOM 0 H THR A 131 -109.653-115.791 -8.719 1.00 0.00 H new ATOM 0 HA THR A 131 -108.190-113.347 -9.441 1.00 0.00 H new ATOM 0 HB THR A 131 -110.399-113.857 -7.463 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.537-112.451 -9.004 1.00 0.00 H new ATOM 0 HG21 THR A 131 -110.469-111.377 -7.201 1.00 0.00 H new ATOM 0 HG22 THR A 131 -108.907-112.046 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 131 -109.038-111.234 -8.250 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.676-113.387 -7.363 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.754-113.395 -6.237 1.00 0.00 C ATOM 1570 C ARG A 132 -105.782-112.007 -5.626 1.00 0.00 C ATOM 1571 O ARG A 132 -105.645-110.987 -6.303 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.305-113.804 -6.612 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.382-114.007 -5.389 1.00 0.00 C ATOM 1574 CD ARG A 132 -102.006-114.584 -5.735 1.00 0.00 C ATOM 1575 NE ARG A 132 -101.240-114.727 -4.445 1.00 0.00 N ATOM 1576 CZ ARG A 132 -99.963-115.215 -4.375 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -99.302-115.613 -5.500 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -99.347-115.303 -3.159 1.00 0.00 N ATOM 0 H ARG A 132 -106.436-112.690 -8.068 1.00 0.00 H new ATOM 0 HA ARG A 132 -106.080-114.156 -5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -104.335-114.727 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.876-113.037 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -103.247-113.049 -4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -103.876-114.672 -4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -102.108-115.550 -6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -101.477-113.927 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 132 -101.697-114.445 -3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -99.759-115.549 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -98.351-115.974 -5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -99.838-115.007 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -98.396-115.665 -3.094 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.978-111.957 -4.291 1.00 0.00 N ATOM 1593 CA ILE A 133 -106.068-110.733 -3.511 1.00 0.00 C ATOM 1594 C ILE A 133 -104.908-110.752 -2.545 1.00 0.00 C ATOM 1595 O ILE A 133 -104.609-111.780 -1.932 1.00 0.00 O ATOM 1596 CB ILE A 133 -107.401-110.626 -2.745 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -108.623-110.766 -3.684 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.495-109.307 -1.933 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -108.685-109.701 -4.772 1.00 0.00 C ATOM 0 H ILE A 133 -106.079-112.798 -3.723 1.00 0.00 H new ATOM 0 HA ILE A 133 -106.030-109.868 -4.173 1.00 0.00 H new ATOM 0 HB ILE A 133 -107.419-111.460 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -108.599-111.750 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -109.535-110.718 -3.089 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.449-109.270 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -106.681-109.266 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -107.421-108.456 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -109.568-109.864 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -108.741-108.714 -4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -107.791-109.762 -5.392 1.00 0.00 H new