USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=14 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 71 HIS : no HD1:sc= 0.625 K(o=2.1,f=-1.6) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.737 K(o=2.1,f=0.28) USER MOD Set 1.3: A 110 TYR OH : rot 46:sc= 0.743 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 THR OG1 : rot 10:sc= 1.3 USER MOD Single : A 46 GLN : amide:sc= -0.538 K(o=-0.54,f=0) USER MOD Single : A 47 SER OG : rot 42:sc= 1.31 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.525 X(o=-0.52,f=-0.23) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -117:sc= -0.0059 (180deg=-0.123) USER MOD Single : A 105 LYS NZ :NH3+ 172:sc= -0.0064 (180deg=-0.0843) USER MOD Single : A 106 MET CE :methyl 174:sc= -0.408 (180deg=-0.43) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc=-0.000391 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -112.463-125.174 2.288 1.00 0.00 N ATOM 114 CA ASP A 41 -113.337-124.501 3.239 1.00 0.00 C ATOM 115 C ASP A 41 -114.148-123.428 2.525 1.00 0.00 C ATOM 116 O ASP A 41 -113.655-122.684 1.665 1.00 0.00 O ATOM 117 CB ASP A 41 -112.521-123.924 4.439 1.00 0.00 C ATOM 118 CG ASP A 41 -113.377-123.781 5.705 1.00 0.00 C ATOM 119 OD1 ASP A 41 -113.887-124.826 6.191 1.00 0.00 O ATOM 120 OD2 ASP A 41 -113.524-122.636 6.204 1.00 0.00 O ATOM 0 HA ASP A 41 -114.036-125.226 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -111.673-124.577 4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.114-122.950 4.165 1.00 0.00 H new ATOM 125 N VAL A 42 -115.450-123.310 2.912 1.00 0.00 N ATOM 126 CA VAL A 42 -116.417-122.326 2.407 1.00 0.00 C ATOM 127 C VAL A 42 -116.453-121.181 3.416 1.00 0.00 C ATOM 128 O VAL A 42 -116.745-121.352 4.593 1.00 0.00 O ATOM 129 CB VAL A 42 -117.796-122.934 2.112 1.00 0.00 C ATOM 130 CG1 VAL A 42 -117.702-123.677 0.765 1.00 0.00 C ATOM 131 CG2 VAL A 42 -118.271-123.899 3.219 1.00 0.00 C ATOM 0 H VAL A 42 -115.858-123.929 3.613 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.102-121.948 1.434 1.00 0.00 H new ATOM 0 HB VAL A 42 -118.531-122.131 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -118.668-124.121 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -117.422-122.974 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -116.949-124.462 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -119.251-124.299 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -117.559-124.719 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -118.339-123.362 4.165 1.00 0.00 H new ATOM 141 N ILE A 43 -116.044-119.967 2.983 1.00 0.00 N ATOM 142 CA ILE A 43 -115.765-118.772 3.774 1.00 0.00 C ATOM 143 C ILE A 43 -116.960-117.809 3.759 1.00 0.00 C ATOM 144 O ILE A 43 -117.803-117.876 2.863 1.00 0.00 O ATOM 145 CB ILE A 43 -114.462-118.187 3.190 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.320-119.243 3.144 1.00 0.00 C ATOM 147 CG2 ILE A 43 -113.932-116.942 3.915 1.00 0.00 C ATOM 148 CD1 ILE A 43 -113.068-120.027 4.442 1.00 0.00 C ATOM 0 H ILE A 43 -115.892-119.796 1.989 1.00 0.00 H new ATOM 0 HA ILE A 43 -115.622-118.986 4.833 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.750-117.884 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.545-119.956 2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -112.396-118.737 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.015-116.604 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -114.679-116.149 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -113.726-117.188 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.251-120.732 4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.804-119.334 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -113.970-120.572 4.719 1.00 0.00 H new ATOM 160 N THR A 44 -117.085-116.890 4.764 1.00 0.00 N ATOM 161 CA THR A 44 -118.203-115.940 4.890 1.00 0.00 C ATOM 162 C THR A 44 -117.642-114.528 4.875 1.00 0.00 C ATOM 163 O THR A 44 -116.849-114.173 5.754 1.00 0.00 O ATOM 164 CB THR A 44 -119.038-116.151 6.171 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.473-117.498 6.292 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.321-115.300 6.185 1.00 0.00 C ATOM 0 H THR A 44 -116.397-116.798 5.511 1.00 0.00 H new ATOM 0 HA THR A 44 -118.876-116.109 4.049 1.00 0.00 H new ATOM 0 HB THR A 44 -118.374-115.864 6.987 1.00 0.00 H new ATOM 0 HG1 THR A 44 -119.997-117.600 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 44 -120.871-115.486 7.107 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.058-114.244 6.126 1.00 0.00 H new ATOM 0 HG23 THR A 44 -120.944-115.567 5.331 1.00 0.00 H new ATOM 174 N PHE A 45 -118.035-113.685 3.878 1.00 0.00 N ATOM 175 CA PHE A 45 -117.545-112.292 3.766 1.00 0.00 C ATOM 176 C PHE A 45 -118.635-111.215 4.021 1.00 0.00 C ATOM 177 O PHE A 45 -119.673-111.233 3.351 1.00 0.00 O ATOM 178 CB PHE A 45 -116.986-112.071 2.334 1.00 0.00 C ATOM 179 CG PHE A 45 -115.782-112.951 2.068 1.00 0.00 C ATOM 180 CD1 PHE A 45 -115.908-114.228 1.533 1.00 0.00 C ATOM 181 CD2 PHE A 45 -114.508-112.449 2.256 1.00 0.00 C ATOM 182 CE1 PHE A 45 -114.803-114.993 1.220 1.00 0.00 C ATOM 183 CE2 PHE A 45 -113.401-113.212 1.953 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.545-114.482 1.435 1.00 0.00 C ATOM 0 H PHE A 45 -118.690-113.952 3.143 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.784-112.173 4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.764-112.285 1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.709-111.024 2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -116.895-114.631 1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -114.379-111.449 2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -114.925-115.985 0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -112.412-112.812 2.123 1.00 0.00 H new ATOM 0 HZ PHE A 45 -112.672-115.073 1.199 1.00 0.00 H new ATOM 194 N GLN A 46 -118.384-110.226 4.950 1.00 0.00 N ATOM 195 CA GLN A 46 -119.248-109.093 5.315 1.00 0.00 C ATOM 196 C GLN A 46 -118.460-107.777 5.195 1.00 0.00 C ATOM 197 O GLN A 46 -117.258-107.773 5.437 1.00 0.00 O ATOM 198 CB GLN A 46 -119.756-109.270 6.786 1.00 0.00 C ATOM 199 CG GLN A 46 -120.911-108.313 7.195 1.00 0.00 C ATOM 200 CD GLN A 46 -121.477-108.474 8.614 1.00 0.00 C ATOM 201 OE1 GLN A 46 -122.425-107.789 9.004 1.00 0.00 O ATOM 202 NE2 GLN A 46 -120.870-109.372 9.424 1.00 0.00 N ATOM 0 H GLN A 46 -117.514-110.219 5.483 1.00 0.00 H new ATOM 0 HA GLN A 46 -120.103-109.062 4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -120.091-110.299 6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -118.918-109.117 7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -120.557-107.288 7.085 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -121.729-108.446 6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -120.088-109.926 9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -121.195-109.495 10.383 1.00 0.00 H new ATOM 211 N SER A 47 -119.084-106.604 4.855 1.00 0.00 N ATOM 212 CA SER A 47 -118.378-105.303 4.762 1.00 0.00 C ATOM 213 C SER A 47 -119.084-104.227 5.594 1.00 0.00 C ATOM 214 O SER A 47 -120.260-104.346 5.935 1.00 0.00 O ATOM 215 CB SER A 47 -118.215-104.829 3.274 1.00 0.00 C ATOM 216 OG SER A 47 -117.363-103.690 3.072 1.00 0.00 O ATOM 0 H SER A 47 -120.080-106.545 4.642 1.00 0.00 H new ATOM 0 HA SER A 47 -117.380-105.455 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 47 -117.824-105.661 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 47 -119.203-104.596 2.876 1.00 0.00 H new ATOM 0 HG SER A 47 -116.568-103.771 3.639 1.00 0.00 H new ATOM 222 N TYR A 48 -118.366-103.118 5.928 1.00 0.00 N ATOM 223 CA TYR A 48 -118.876-101.954 6.647 1.00 0.00 C ATOM 224 C TYR A 48 -118.948-100.787 5.657 1.00 0.00 C ATOM 225 O TYR A 48 -117.945-100.356 5.086 1.00 0.00 O ATOM 226 CB TYR A 48 -117.936-101.634 7.848 1.00 0.00 C ATOM 227 CG TYR A 48 -118.437-100.624 8.858 1.00 0.00 C ATOM 228 CD1 TYR A 48 -119.736-100.630 9.336 1.00 0.00 C ATOM 229 CD2 TYR A 48 -117.541 -99.717 9.398 1.00 0.00 C ATOM 230 CE1 TYR A 48 -120.120 -99.774 10.349 1.00 0.00 C ATOM 231 CE2 TYR A 48 -117.917 -98.866 10.419 1.00 0.00 C ATOM 232 CZ TYR A 48 -119.204 -98.911 10.911 1.00 0.00 C ATOM 233 OH TYR A 48 -119.593 -98.098 11.994 1.00 0.00 O ATOM 0 H TYR A 48 -117.379-103.024 5.686 1.00 0.00 H new ATOM 0 HA TYR A 48 -119.871-102.141 7.051 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.728-102.566 8.374 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -116.987-101.274 7.450 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -120.458-101.312 8.912 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.532 -99.674 9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -121.141 -99.781 10.702 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -117.204 -98.167 10.831 1.00 0.00 H new ATOM 0 HH TYR A 48 -118.834 -97.547 12.278 1.00 0.00 H new ATOM 431 N TRP A 62 -124.013-102.081 8.161 1.00 0.00 N ATOM 432 CA TRP A 62 -123.400-103.385 8.078 1.00 0.00 C ATOM 433 C TRP A 62 -124.237-104.194 7.078 1.00 0.00 C ATOM 434 O TRP A 62 -125.460-104.313 7.192 1.00 0.00 O ATOM 435 CB TRP A 62 -123.355-104.025 9.501 1.00 0.00 C ATOM 436 CG TRP A 62 -122.145-103.606 10.336 1.00 0.00 C ATOM 437 CD1 TRP A 62 -122.003-102.839 11.463 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.837-104.104 10.038 1.00 0.00 C ATOM 439 NE1 TRP A 62 -120.693-102.849 11.884 1.00 0.00 N ATOM 440 CE2 TRP A 62 -119.977-103.630 11.019 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.398-104.903 9.030 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.667-103.959 11.020 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -119.061-105.254 9.030 1.00 0.00 C ATOM 444 CH2 TRP A 62 -118.202-104.784 10.011 1.00 0.00 C ATOM 0 HA TRP A 62 -122.368-103.348 7.730 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -124.264-103.755 10.038 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -123.355-105.110 9.400 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -122.804-102.304 11.951 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -120.321-102.360 12.698 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -121.069-105.251 8.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -118.002-103.589 11.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.681-105.903 8.255 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -117.159-105.064 9.988 1.00 0.00 H new ATOM 455 N VAL A 63 -123.547-104.723 6.031 1.00 0.00 N ATOM 456 CA VAL A 63 -124.081-105.445 4.885 1.00 0.00 C ATOM 457 C VAL A 63 -123.204-106.678 4.693 1.00 0.00 C ATOM 458 O VAL A 63 -121.976-106.588 4.774 1.00 0.00 O ATOM 459 CB VAL A 63 -124.040-104.573 3.609 1.00 0.00 C ATOM 460 CG1 VAL A 63 -124.591-105.326 2.378 1.00 0.00 C ATOM 461 CG2 VAL A 63 -124.840-103.263 3.815 1.00 0.00 C ATOM 0 H VAL A 63 -122.532-104.640 5.980 1.00 0.00 H new ATOM 0 HA VAL A 63 -125.122-105.715 5.061 1.00 0.00 H new ATOM 0 HB VAL A 63 -122.993-104.334 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -124.544-104.677 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -123.992-106.219 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -125.626-105.614 2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -124.798-102.664 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -125.878-103.503 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -124.407-102.699 4.641 1.00 0.00 H new ATOM 471 N ASP A 64 -123.813-107.866 4.403 1.00 0.00 N ATOM 472 CA ASP A 64 -123.138-109.139 4.112 1.00 0.00 C ATOM 473 C ASP A 64 -122.921-109.229 2.611 1.00 0.00 C ATOM 474 O ASP A 64 -123.837-108.960 1.841 1.00 0.00 O ATOM 475 CB ASP A 64 -123.922-110.387 4.609 1.00 0.00 C ATOM 476 CG ASP A 64 -123.954-110.409 6.141 1.00 0.00 C ATOM 477 OD1 ASP A 64 -124.713-109.601 6.738 1.00 0.00 O ATOM 478 OD2 ASP A 64 -123.216-111.242 6.733 1.00 0.00 O ATOM 0 H ASP A 64 -124.829-107.951 4.368 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.192-109.144 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -124.938-110.369 4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -123.451-111.296 4.234 1.00 0.00 H new ATOM 483 N GLU A 65 -121.680-109.547 2.150 1.00 0.00 N ATOM 484 CA GLU A 65 -121.312-109.509 0.737 1.00 0.00 C ATOM 485 C GLU A 65 -121.692-110.767 -0.031 1.00 0.00 C ATOM 486 O GLU A 65 -122.409-110.741 -1.029 1.00 0.00 O ATOM 487 CB GLU A 65 -119.777-109.308 0.560 1.00 0.00 C ATOM 488 CG GLU A 65 -119.101-108.169 1.325 1.00 0.00 C ATOM 489 CD GLU A 65 -119.645-106.824 0.861 1.00 0.00 C ATOM 490 OE1 GLU A 65 -120.701-106.391 1.397 1.00 0.00 O ATOM 491 OE2 GLU A 65 -119.010-106.204 -0.033 1.00 0.00 O ATOM 0 H GLU A 65 -120.917-109.835 2.762 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.874-108.668 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.285-110.238 0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.582-109.157 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -119.272-108.289 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -118.023-108.206 1.169 1.00 0.00 H new ATOM 498 N PHE A 66 -121.127-111.899 0.442 1.00 0.00 N ATOM 499 CA PHE A 66 -121.257-113.198 -0.186 1.00 0.00 C ATOM 500 C PHE A 66 -120.688-114.203 0.796 1.00 0.00 C ATOM 501 O PHE A 66 -120.144-113.865 1.849 1.00 0.00 O ATOM 502 CB PHE A 66 -120.538-113.325 -1.604 1.00 0.00 C ATOM 503 CG PHE A 66 -119.030-113.103 -1.584 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.533-111.849 -1.336 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.116-114.131 -1.706 1.00 0.00 C ATOM 506 CE1 PHE A 66 -117.224-111.644 -0.983 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.766-113.910 -1.492 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.314-112.668 -1.079 1.00 0.00 C ATOM 0 H PHE A 66 -120.560-111.918 1.289 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.310-113.375 -0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.739-114.317 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.987-112.605 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -119.192-110.998 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.459-115.120 -1.972 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.908-110.674 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.060-114.712 -1.648 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.273-112.509 -0.839 1.00 0.00 H new ATOM 518 N THR A 67 -120.725-115.485 0.400 1.00 0.00 N ATOM 519 CA THR A 67 -120.055-116.575 1.072 1.00 0.00 C ATOM 520 C THR A 67 -119.547-117.344 -0.124 1.00 0.00 C ATOM 521 O THR A 67 -120.290-117.565 -1.078 1.00 0.00 O ATOM 522 CB THR A 67 -120.952-117.380 2.037 1.00 0.00 C ATOM 523 OG1 THR A 67 -120.307-118.514 2.614 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.264-117.853 1.387 1.00 0.00 C ATOM 0 H THR A 67 -121.243-115.786 -0.425 1.00 0.00 H new ATOM 0 HA THR A 67 -119.274-116.270 1.769 1.00 0.00 H new ATOM 0 HB THR A 67 -121.174-116.665 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 67 -119.348-118.482 2.413 1.00 0.00 H new ATOM 0 HG21 THR A 67 -122.850-118.413 2.116 1.00 0.00 H new ATOM 0 HG22 THR A 67 -122.835-116.988 1.049 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.038-118.494 0.535 1.00 0.00 H new ATOM 532 N ALA A 68 -118.273-117.748 -0.122 1.00 0.00 N ATOM 533 CA ALA A 68 -117.725-118.504 -1.261 1.00 0.00 C ATOM 534 C ALA A 68 -116.642-119.454 -0.830 1.00 0.00 C ATOM 535 O ALA A 68 -116.049-119.300 0.231 1.00 0.00 O ATOM 536 CB ALA A 68 -117.179-117.590 -2.396 1.00 0.00 C ATOM 0 H ALA A 68 -117.612-117.572 0.635 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.568-119.069 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.790-118.208 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.984-116.961 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.380-116.960 -2.004 1.00 0.00 H new ATOM 542 N ALA A 69 -116.294-120.462 -1.681 1.00 0.00 N ATOM 543 CA ALA A 69 -115.230-121.429 -1.437 1.00 0.00 C ATOM 544 C ALA A 69 -113.915-120.772 -1.829 1.00 0.00 C ATOM 545 O ALA A 69 -113.716-120.353 -2.968 1.00 0.00 O ATOM 546 CB ALA A 69 -115.479-122.732 -2.223 1.00 0.00 C ATOM 0 H ALA A 69 -116.769-120.611 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.200-121.710 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.672-123.437 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.428-123.169 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.514-122.512 -3.290 1.00 0.00 H new ATOM 552 N ALA A 70 -113.029-120.583 -0.819 1.00 0.00 N ATOM 553 CA ALA A 70 -111.865-119.737 -1.007 1.00 0.00 C ATOM 554 C ALA A 70 -110.873-120.045 0.068 1.00 0.00 C ATOM 555 O ALA A 70 -111.266-120.482 1.142 1.00 0.00 O ATOM 556 CB ALA A 70 -112.254-118.250 -0.800 1.00 0.00 C ATOM 0 H ALA A 70 -113.110-121.002 0.107 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.468-119.910 -2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.375-117.621 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -113.021-117.971 -1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.639-118.112 0.210 1.00 0.00 H new ATOM 562 N HIS A 71 -109.574-119.764 -0.167 1.00 0.00 N ATOM 563 CA HIS A 71 -108.531-119.893 0.820 1.00 0.00 C ATOM 564 C HIS A 71 -108.111-118.468 1.196 1.00 0.00 C ATOM 565 O HIS A 71 -107.418-117.808 0.419 1.00 0.00 O ATOM 566 CB HIS A 71 -107.337-120.623 0.134 1.00 0.00 C ATOM 567 CG HIS A 71 -106.199-121.065 1.014 1.00 0.00 C ATOM 568 ND1 HIS A 71 -106.241-121.126 2.389 1.00 0.00 N ATOM 569 CD2 HIS A 71 -104.987-121.570 0.657 1.00 0.00 C ATOM 570 CE1 HIS A 71 -105.059-121.645 2.798 1.00 0.00 C ATOM 571 NE2 HIS A 71 -104.266-121.919 1.784 1.00 0.00 N ATOM 0 H HIS A 71 -109.235-119.436 -1.072 1.00 0.00 H new ATOM 0 HA HIS A 71 -108.849-120.447 1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -107.729-121.502 -0.378 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -106.933-119.962 -0.633 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -104.639-121.682 -0.359 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -104.798-121.814 3.832 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -103.323-122.306 1.821 1.00 0.00 H new ATOM 579 N VAL A 72 -108.476-117.967 2.421 1.00 0.00 N ATOM 580 CA VAL A 72 -108.083-116.649 2.940 1.00 0.00 C ATOM 581 C VAL A 72 -107.047-117.052 4.007 1.00 0.00 C ATOM 582 O VAL A 72 -107.447-117.421 5.094 1.00 0.00 O ATOM 583 CB VAL A 72 -109.309-115.875 3.570 1.00 0.00 C ATOM 584 CG1 VAL A 72 -108.911-114.741 4.529 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.361-115.201 2.639 1.00 0.00 C ATOM 0 H VAL A 72 -109.061-118.491 3.072 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.703-115.963 2.183 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.767-116.743 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -109.809-114.261 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -108.332-115.151 5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -108.309-114.006 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.128-114.719 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -109.869-114.455 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.823-115.957 2.005 1.00 0.00 H new ATOM 595 N GLN A 73 -105.698-117.010 3.791 1.00 0.00 N ATOM 596 CA GLN A 73 -104.676-117.445 4.769 1.00 0.00 C ATOM 597 C GLN A 73 -103.807-116.264 5.198 1.00 0.00 C ATOM 598 O GLN A 73 -103.804-115.293 4.455 1.00 0.00 O ATOM 599 CB GLN A 73 -103.776-118.596 4.202 1.00 0.00 C ATOM 600 CG GLN A 73 -102.929-118.268 2.943 1.00 0.00 C ATOM 601 CD GLN A 73 -101.696-119.176 2.796 1.00 0.00 C ATOM 602 OE1 GLN A 73 -100.574-118.728 3.061 1.00 0.00 O ATOM 603 NE2 GLN A 73 -101.866-120.444 2.356 1.00 0.00 N ATOM 0 H GLN A 73 -105.294-116.667 2.919 1.00 0.00 H new ATOM 0 HA GLN A 73 -105.206-117.835 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -103.098-118.918 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -104.418-119.445 3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -103.554-118.366 2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -102.605-117.229 2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -102.802-120.789 2.144 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -101.058-121.055 2.236 1.00 0.00 H new ATOM 612 N PRO A 74 -103.075-116.162 6.335 1.00 0.00 N ATOM 613 CA PRO A 74 -102.254-114.984 6.680 1.00 0.00 C ATOM 614 C PRO A 74 -100.982-114.837 5.809 1.00 0.00 C ATOM 615 O PRO A 74 -100.504-115.834 5.267 1.00 0.00 O ATOM 616 CB PRO A 74 -101.954-115.192 8.179 1.00 0.00 C ATOM 617 CG PRO A 74 -102.003-116.710 8.389 1.00 0.00 C ATOM 618 CD PRO A 74 -103.078-117.167 7.397 1.00 0.00 C ATOM 0 HA PRO A 74 -102.770-114.044 6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -100.977-114.788 8.445 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -102.690-114.684 8.803 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -101.040-117.176 8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -102.267-116.966 9.415 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -102.853-118.158 7.002 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -104.055-117.230 7.877 1.00 0.00 H new ATOM 626 N ILE A 75 -100.432-113.585 5.656 1.00 0.00 N ATOM 627 CA ILE A 75 -99.252-113.220 4.843 1.00 0.00 C ATOM 628 C ILE A 75 -97.968-114.045 5.074 1.00 0.00 C ATOM 629 O ILE A 75 -97.234-113.920 6.055 1.00 0.00 O ATOM 630 CB ILE A 75 -99.003-111.699 4.724 1.00 0.00 C ATOM 631 CG1 ILE A 75 -98.100-111.390 3.496 1.00 0.00 C ATOM 632 CG2 ILE A 75 -98.481-111.067 6.042 1.00 0.00 C ATOM 633 CD1 ILE A 75 -97.936-109.899 3.196 1.00 0.00 C ATOM 0 H ILE A 75 -100.832-112.773 6.127 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.563-113.543 3.850 1.00 0.00 H new ATOM 0 HB ILE A 75 -99.965-111.218 4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -97.115-111.825 3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -98.519-111.882 2.618 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -98.325-109.998 5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -99.213-111.222 6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -97.538-111.536 6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -97.292-109.772 2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -98.912-109.459 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -97.486-109.402 4.056 1.00 0.00 H new ATOM 894 N GLY A 91 -101.059-109.304 7.814 1.00 0.00 N ATOM 895 CA GLY A 91 -102.171-109.095 6.896 1.00 0.00 C ATOM 896 C GLY A 91 -102.523-110.436 6.311 1.00 0.00 C ATOM 897 O GLY A 91 -101.978-111.459 6.734 1.00 0.00 O ATOM 0 HA2 GLY A 91 -103.026-108.667 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -101.894-108.393 6.110 1.00 0.00 H new ATOM 901 N TYR A 92 -103.439-110.497 5.305 1.00 0.00 N ATOM 902 CA TYR A 92 -103.847-111.751 4.686 1.00 0.00 C ATOM 903 C TYR A 92 -103.422-111.816 3.224 1.00 0.00 C ATOM 904 O TYR A 92 -103.225-110.827 2.516 1.00 0.00 O ATOM 905 CB TYR A 92 -105.361-112.121 4.882 1.00 0.00 C ATOM 906 CG TYR A 92 -105.605-112.884 6.176 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.313-112.455 7.464 1.00 0.00 C ATOM 908 CD2 TYR A 92 -106.122-114.149 6.051 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.506-113.295 8.555 1.00 0.00 C ATOM 910 CE2 TYR A 92 -106.324-114.986 7.118 1.00 0.00 C ATOM 911 CZ TYR A 92 -106.002-114.574 8.379 1.00 0.00 C ATOM 912 OH TYR A 92 -106.208-115.479 9.442 1.00 0.00 O ATOM 0 H TYR A 92 -103.901-109.675 4.916 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.308-112.526 5.231 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.959-111.209 4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.698-112.723 4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -104.931-111.457 7.620 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -106.382-114.502 5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.267-112.946 9.549 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.738-115.971 6.961 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.565-116.321 9.090 1.00 0.00 H new ATOM 922 N ASN A 93 -103.289-113.074 2.774 1.00 0.00 N ATOM 923 CA ASN A 93 -102.918-113.535 1.460 1.00 0.00 C ATOM 924 C ASN A 93 -104.105-114.439 1.076 1.00 0.00 C ATOM 925 O ASN A 93 -104.415-115.426 1.751 1.00 0.00 O ATOM 926 CB ASN A 93 -101.568-114.271 1.731 1.00 0.00 C ATOM 927 CG ASN A 93 -101.003-115.086 0.582 1.00 0.00 C ATOM 928 OD1 ASN A 93 -100.153-114.643 -0.189 1.00 0.00 O ATOM 929 ND2 ASN A 93 -101.490-116.349 0.470 1.00 0.00 N ATOM 0 H ASN A 93 -103.460-113.861 3.400 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.760-112.821 0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -100.825-113.528 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.705-114.934 2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -101.151-116.962 -0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -102.195-116.684 1.127 1.00 0.00 H new ATOM 936 N ILE A 94 -104.840-114.115 -0.023 1.00 0.00 N ATOM 937 CA ILE A 94 -106.084-114.804 -0.380 1.00 0.00 C ATOM 938 C ILE A 94 -106.181-115.012 -1.878 1.00 0.00 C ATOM 939 O ILE A 94 -105.804-114.135 -2.660 1.00 0.00 O ATOM 940 CB ILE A 94 -107.356-113.986 0.012 1.00 0.00 C ATOM 941 CG1 ILE A 94 -107.342-113.424 1.453 1.00 0.00 C ATOM 942 CG2 ILE A 94 -108.688-114.729 -0.260 1.00 0.00 C ATOM 943 CD1 ILE A 94 -106.815-111.995 1.522 1.00 0.00 C ATOM 0 H ILE A 94 -104.579-113.374 -0.673 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.051-115.748 0.165 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.307-113.131 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.353-113.454 1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -106.725-114.065 2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -109.525-114.097 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -108.767-114.958 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -108.711-115.656 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -106.828-111.652 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -105.794-111.965 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -107.446-111.345 0.916 1.00 0.00 H new ATOM 955 N TYR A 95 -106.817-116.150 -2.283 1.00 0.00 N ATOM 956 CA TYR A 95 -107.326-116.392 -3.628 1.00 0.00 C ATOM 957 C TYR A 95 -108.775-116.924 -3.490 1.00 0.00 C ATOM 958 O TYR A 95 -109.063-117.747 -2.610 1.00 0.00 O ATOM 959 CB TYR A 95 -106.360-117.221 -4.553 1.00 0.00 C ATOM 960 CG TYR A 95 -106.604-118.709 -4.608 1.00 0.00 C ATOM 961 CD1 TYR A 95 -107.514-119.214 -5.518 1.00 0.00 C ATOM 962 CD2 TYR A 95 -106.021-119.567 -3.702 1.00 0.00 C ATOM 963 CE1 TYR A 95 -107.842-120.551 -5.522 1.00 0.00 C ATOM 964 CE2 TYR A 95 -106.311-120.916 -3.731 1.00 0.00 C ATOM 965 CZ TYR A 95 -107.204-121.421 -4.660 1.00 0.00 C ATOM 966 OH TYR A 95 -107.412-122.819 -4.757 1.00 0.00 O ATOM 0 H TYR A 95 -106.984-116.933 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 95 -107.363-115.458 -4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -106.432-116.824 -5.566 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -105.337-117.054 -4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -107.974-118.551 -6.236 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -105.333-119.182 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -108.598-120.919 -6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -105.838-121.582 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 95 -106.882-123.277 -4.072 1.00 0.00 H new ATOM 976 N THR A 96 -109.711-116.489 -4.379 1.00 0.00 N ATOM 977 CA THR A 96 -111.054-117.065 -4.489 1.00 0.00 C ATOM 978 C THR A 96 -111.293-117.109 -5.987 1.00 0.00 C ATOM 979 O THR A 96 -110.757-116.232 -6.676 1.00 0.00 O ATOM 980 CB THR A 96 -112.201-116.362 -3.711 1.00 0.00 C ATOM 981 OG1 THR A 96 -113.432-117.084 -3.759 1.00 0.00 O ATOM 982 CG2 THR A 96 -112.548-114.936 -4.135 1.00 0.00 C ATOM 0 H THR A 96 -109.541-115.726 -5.035 1.00 0.00 H new ATOM 0 HA THR A 96 -111.079-118.038 -3.999 1.00 0.00 H new ATOM 0 HB THR A 96 -111.768-116.332 -2.711 1.00 0.00 H new ATOM 0 HG1 THR A 96 -114.116-116.598 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 96 -113.362-114.560 -3.516 1.00 0.00 H new ATOM 0 HG22 THR A 96 -111.674-114.297 -4.012 1.00 0.00 H new ATOM 0 HG23 THR A 96 -112.856-114.932 -5.181 1.00 0.00 H new ATOM 990 N PRO A 97 -112.052-118.074 -6.584 1.00 0.00 N ATOM 991 CA PRO A 97 -112.452-118.080 -8.001 1.00 0.00 C ATOM 992 C PRO A 97 -113.370-116.877 -8.307 1.00 0.00 C ATOM 993 O PRO A 97 -114.327-116.630 -7.569 1.00 0.00 O ATOM 994 CB PRO A 97 -113.145-119.452 -8.180 1.00 0.00 C ATOM 995 CG PRO A 97 -113.638-119.829 -6.779 1.00 0.00 C ATOM 996 CD PRO A 97 -112.515-119.285 -5.903 1.00 0.00 C ATOM 0 HA PRO A 97 -111.622-117.969 -8.699 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -113.973-119.388 -8.886 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -112.451-120.197 -8.569 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.599-119.370 -6.545 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -113.762-120.906 -6.664 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -112.873-119.060 -4.898 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -111.709-120.011 -5.799 1.00 0.00 H new ATOM 1004 N TYR A 98 -112.980-116.093 -9.342 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.480-114.852 -9.927 1.00 0.00 C ATOM 1006 C TYR A 98 -114.120-113.729 -9.084 1.00 0.00 C ATOM 1007 O TYR A 98 -114.740-112.818 -9.626 1.00 0.00 O ATOM 1008 CB TYR A 98 -114.298-115.184 -11.214 1.00 0.00 C ATOM 1009 CG TYR A 98 -114.010-114.213 -12.327 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -112.722-114.093 -12.819 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -115.005-113.408 -12.851 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -112.437-113.195 -13.821 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -114.720-112.517 -13.865 1.00 0.00 C ATOM 1014 CZ TYR A 98 -113.439-112.427 -14.363 1.00 0.00 C ATOM 1015 OH TYR A 98 -113.138-111.569 -15.436 1.00 0.00 O ATOM 0 H TYR A 98 -112.157-116.387 -9.868 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.544-114.327 -10.119 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -114.061-116.195 -11.544 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -115.363-115.166 -10.982 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.934-114.710 -12.413 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -116.011-113.477 -12.464 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -111.424-113.093 -14.182 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -115.501-111.890 -14.268 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.949-111.093 -15.711 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.982-113.745 -7.736 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.529-112.702 -6.852 1.00 0.00 C ATOM 1027 C ASP A 99 -113.444-111.758 -6.344 1.00 0.00 C ATOM 1028 O ASP A 99 -112.487-112.176 -5.699 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.381-113.225 -5.657 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.472-114.180 -6.151 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -117.289-113.755 -7.009 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.501-115.344 -5.670 1.00 0.00 O ATOM 0 H ASP A 99 -113.487-114.484 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.219-112.155 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.738-113.738 -4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -115.836-112.385 -5.132 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.585-110.430 -6.593 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.651-109.361 -6.197 1.00 0.00 C ATOM 1039 C ASP A 100 -113.073-108.678 -4.903 1.00 0.00 C ATOM 1040 O ASP A 100 -112.739-107.524 -4.636 1.00 0.00 O ATOM 1041 CB ASP A 100 -112.498-108.262 -7.298 1.00 0.00 C ATOM 1042 CG ASP A 100 -111.873-108.831 -8.577 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -112.563-109.597 -9.300 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -110.689-108.490 -8.848 1.00 0.00 O ATOM 0 H ASP A 100 -114.392-110.066 -7.099 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.694-109.863 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -113.475-107.837 -7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.878-107.450 -6.919 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.829-109.403 -4.045 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.344-108.886 -2.792 1.00 0.00 C ATOM 1051 C ARG A 101 -113.433-109.201 -1.618 1.00 0.00 C ATOM 1052 O ARG A 101 -113.081-108.249 -0.931 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.822-109.268 -2.620 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.713-108.559 -3.657 1.00 0.00 C ATOM 1055 CD ARG A 101 -118.184-108.998 -3.672 1.00 0.00 C ATOM 1056 NE ARG A 101 -118.273-110.363 -4.300 1.00 0.00 N ATOM 1057 CZ ARG A 101 -119.464-110.960 -4.620 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -120.651-110.341 -4.358 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -119.462-112.202 -5.189 1.00 0.00 N ATOM 0 H ARG A 101 -114.091-110.373 -4.222 1.00 0.00 H new ATOM 0 HA ARG A 101 -114.334-107.796 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.934-110.348 -2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.152-109.005 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.674-107.486 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -116.291-108.727 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -118.582-109.022 -2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -118.786-108.284 -4.233 1.00 0.00 H new ATOM 0 HE ARG A 101 -117.408-110.866 -4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -120.660-109.421 -3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -121.529-110.798 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -118.578-112.678 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -120.344-112.654 -5.430 1.00 0.00 H new ATOM 1073 N ILE A 102 -112.957-110.477 -1.389 1.00 0.00 N ATOM 1074 CA ILE A 102 -111.942-111.001 -0.464 1.00 0.00 C ATOM 1075 C ILE A 102 -111.454-110.147 0.699 1.00 0.00 C ATOM 1076 O ILE A 102 -112.012-110.207 1.786 1.00 0.00 O ATOM 1077 CB ILE A 102 -110.828-111.692 -1.265 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -110.248-110.832 -2.429 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -111.461-112.989 -1.804 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -109.518-111.652 -3.509 1.00 0.00 C ATOM 0 H ILE A 102 -113.345-111.246 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 102 -112.492-111.726 0.136 1.00 0.00 H new ATOM 0 HB ILE A 102 -109.969-111.871 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -111.061-110.276 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -109.557-110.098 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -110.723-113.538 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -111.795-113.605 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -112.314-112.742 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -109.144-110.982 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -108.683-112.187 -3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -110.210-112.368 -3.952 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.425-109.304 0.494 1.00 0.00 N ATOM 1093 CA ASP A 103 -110.020-108.261 1.425 1.00 0.00 C ATOM 1094 C ASP A 103 -109.749-106.999 0.638 1.00 0.00 C ATOM 1095 O ASP A 103 -108.819-106.904 -0.158 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.837-108.645 2.345 1.00 0.00 C ATOM 1097 CG ASP A 103 -109.419-109.593 3.388 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -110.296-109.121 4.161 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -109.038-110.792 3.405 1.00 0.00 O ATOM 0 H ASP A 103 -109.846-109.339 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.842-108.101 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.040-109.127 1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -108.404-107.762 2.816 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.603-105.984 0.868 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.544-104.673 0.258 1.00 0.00 C ATOM 1106 C LYS A 104 -110.942-103.731 1.368 1.00 0.00 C ATOM 1107 O LYS A 104 -110.091-103.077 1.967 1.00 0.00 O ATOM 1108 CB LYS A 104 -111.434-104.582 -1.006 1.00 0.00 C ATOM 1109 CG LYS A 104 -111.285-103.259 -1.771 1.00 0.00 C ATOM 1110 CD LYS A 104 -111.988-103.316 -3.136 1.00 0.00 C ATOM 1111 CE LYS A 104 -111.728-102.084 -4.016 1.00 0.00 C ATOM 1112 NZ LYS A 104 -110.297-101.983 -4.394 1.00 0.00 N ATOM 0 H LYS A 104 -111.384-106.076 1.517 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.555-104.422 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -111.187-105.407 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -112.477-104.708 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -111.704-102.446 -1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -110.227-103.037 -1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -111.657-104.208 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -113.062-103.419 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -112.341-102.141 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -112.030-101.183 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -109.894-101.110 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -109.780-102.804 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -110.212-101.963 -5.430 1.00 0.00 H new ATOM 1126 N LYS A 105 -112.258-103.724 1.704 1.00 0.00 N ATOM 1127 CA LYS A 105 -112.806-103.032 2.857 1.00 0.00 C ATOM 1128 C LYS A 105 -113.637-104.068 3.586 1.00 0.00 C ATOM 1129 O LYS A 105 -114.861-103.944 3.638 1.00 0.00 O ATOM 1130 CB LYS A 105 -113.730-101.830 2.493 1.00 0.00 C ATOM 1131 CG LYS A 105 -113.026-100.683 1.753 1.00 0.00 C ATOM 1132 CD LYS A 105 -113.957 -99.488 1.465 1.00 0.00 C ATOM 1133 CE LYS A 105 -114.415 -98.701 2.705 1.00 0.00 C ATOM 1134 NZ LYS A 105 -113.267 -98.133 3.450 1.00 0.00 N ATOM 0 H LYS A 105 -112.966-104.215 1.158 1.00 0.00 H new ATOM 0 HA LYS A 105 -111.987-102.614 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -114.551-102.194 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -114.171-101.437 3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.179-100.341 2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -112.624-101.058 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -113.445 -98.804 0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -114.840 -99.854 0.940 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -115.084 -97.897 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -114.986 -99.357 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -113.617 -97.500 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -112.716 -98.904 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -112.661 -97.596 2.797 1.00 0.00 H new ATOM 1148 N MET A 106 -113.031-105.143 4.166 1.00 0.00 N ATOM 1149 CA MET A 106 -113.873-106.145 4.814 1.00 0.00 C ATOM 1150 C MET A 106 -113.315-107.025 5.919 1.00 0.00 C ATOM 1151 O MET A 106 -112.132-107.323 6.115 1.00 0.00 O ATOM 1152 CB MET A 106 -114.718-106.996 3.821 1.00 0.00 C ATOM 1153 CG MET A 106 -113.978-107.675 2.670 1.00 0.00 C ATOM 1154 SD MET A 106 -115.160-108.460 1.526 1.00 0.00 S ATOM 1155 CE MET A 106 -115.642-106.955 0.619 1.00 0.00 C ATOM 0 H MET A 106 -112.026-105.318 4.191 1.00 0.00 H new ATOM 0 HA MET A 106 -114.504-105.453 5.371 1.00 0.00 H new ATOM 0 HB2 MET A 106 -115.232-107.768 4.393 1.00 0.00 H new ATOM 0 HB3 MET A 106 -115.486-106.351 3.394 1.00 0.00 H new ATOM 0 HG2 MET A 106 -113.376-106.941 2.134 1.00 0.00 H new ATOM 0 HG3 MET A 106 -113.291-108.424 3.063 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.292-107.224 -0.213 1.00 0.00 H new ATOM 0 HE2 MET A 106 -116.173-106.280 1.290 1.00 0.00 H new ATOM 0 HE3 MET A 106 -114.750-106.459 0.237 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.350-107.470 6.678 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.394-108.310 7.847 1.00 0.00 C ATOM 1167 C ARG A 107 -114.623-109.708 7.334 1.00 0.00 C ATOM 1168 O ARG A 107 -115.736-110.047 6.923 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.619-107.836 8.679 1.00 0.00 C ATOM 1170 CG ARG A 107 -115.925-108.618 9.963 1.00 0.00 C ATOM 1171 CD ARG A 107 -117.161-108.067 10.687 1.00 0.00 C ATOM 1172 NE ARG A 107 -117.521-108.980 11.824 1.00 0.00 N ATOM 1173 CZ ARG A 107 -118.635-108.796 12.597 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -119.475-107.743 12.374 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -118.909-109.678 13.603 1.00 0.00 N ATOM 0 H ARG A 107 -115.298-107.192 6.423 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.493-108.271 8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.465-106.791 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.500-107.875 8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -116.085-109.668 9.719 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -115.064-108.573 10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -116.959-107.063 11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -117.997-107.986 9.992 1.00 0.00 H new ATOM 0 HE ARG A 107 -116.909-109.770 12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -119.276-107.082 11.624 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -120.302-107.618 12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -118.285-110.467 13.774 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -119.737-109.548 14.184 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.562-110.532 7.272 1.00 0.00 N ATOM 1190 CA VAL A 108 -113.698-111.855 6.691 1.00 0.00 C ATOM 1191 C VAL A 108 -113.661-112.866 7.788 1.00 0.00 C ATOM 1192 O VAL A 108 -112.845-112.813 8.712 1.00 0.00 O ATOM 1193 CB VAL A 108 -112.699-112.132 5.570 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -111.287-111.652 5.906 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -112.652-113.614 5.163 1.00 0.00 C ATOM 0 H VAL A 108 -112.628-110.302 7.611 1.00 0.00 H new ATOM 0 HA VAL A 108 -114.664-111.921 6.190 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.068-111.556 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -110.619-111.875 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -111.301-110.576 6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -110.933-112.162 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -111.924-113.749 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -112.362-114.218 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -113.636-113.927 4.815 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.572-113.874 7.677 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.575-114.976 8.602 1.00 0.00 C ATOM 1207 C ILE A 109 -113.952-116.115 7.810 1.00 0.00 C ATOM 1208 O ILE A 109 -114.615-116.722 6.965 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.021-115.292 9.028 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -116.740-114.006 9.530 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.020-116.411 10.102 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.247-114.171 9.732 1.00 0.00 C ATOM 0 H ILE A 109 -115.293-113.920 6.957 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.027-114.780 9.524 1.00 0.00 H new ATOM 0 HB ILE A 109 -116.579-115.654 8.165 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.290-113.696 10.473 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -116.566-113.203 8.814 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.045-116.630 10.400 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -115.561-117.310 9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.453-116.080 10.972 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -118.672-113.231 10.082 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -118.712-114.450 8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.432-114.950 10.471 1.00 0.00 H new ATOM 1224 N TYR A 110 -112.672-116.457 8.121 1.00 0.00 N ATOM 1225 CA TYR A 110 -111.938-117.584 7.594 1.00 0.00 C ATOM 1226 C TYR A 110 -112.007-118.690 8.636 1.00 0.00 C ATOM 1227 O TYR A 110 -111.424-118.553 9.709 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.456-117.184 7.299 1.00 0.00 C ATOM 1229 CG TYR A 110 -109.629-118.345 6.782 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -109.980-118.997 5.614 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -108.529-118.791 7.493 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.236-120.062 5.145 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -107.751-119.821 7.000 1.00 0.00 C ATOM 1234 CZ TYR A 110 -108.093-120.448 5.811 1.00 0.00 C ATOM 1235 OH TYR A 110 -107.249-121.420 5.230 1.00 0.00 O ATOM 0 H TYR A 110 -112.119-115.911 8.781 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.370-117.922 6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.441-116.377 6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.000-116.796 8.210 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -110.848-118.669 5.061 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -108.277-118.332 8.438 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -109.550-120.592 4.258 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -106.873-120.139 7.543 1.00 0.00 H new ATOM 0 HH TYR A 110 -107.107-121.206 4.284 1.00 0.00 H new ATOM 1245 N ARG A 111 -112.728-119.811 8.340 1.00 0.00 N ATOM 1246 CA ARG A 111 -112.853-121.033 9.157 1.00 0.00 C ATOM 1247 C ARG A 111 -113.279-120.868 10.640 1.00 0.00 C ATOM 1248 O ARG A 111 -112.861-121.586 11.544 1.00 0.00 O ATOM 1249 CB ARG A 111 -111.559-121.883 8.964 1.00 0.00 C ATOM 1250 CG ARG A 111 -111.690-123.391 9.250 1.00 0.00 C ATOM 1251 CD ARG A 111 -110.416-124.187 8.914 1.00 0.00 C ATOM 1252 NE ARG A 111 -110.173-124.120 7.429 1.00 0.00 N ATOM 1253 CZ ARG A 111 -109.042-124.610 6.831 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -108.049-125.181 7.572 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -108.909-124.524 5.476 1.00 0.00 N ATOM 0 H ARG A 111 -113.263-119.879 7.474 1.00 0.00 H new ATOM 0 HA ARG A 111 -113.726-121.565 8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -111.216-121.757 7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -110.782-121.477 9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -111.933-123.534 10.303 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -112.523-123.792 8.673 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -109.563-123.777 9.454 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -110.525-125.224 9.231 1.00 0.00 H new ATOM 0 HE ARG A 111 -110.885-123.689 6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -108.143-125.248 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -107.213-125.541 7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -109.648-124.098 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -108.071-124.886 5.022 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.130-119.840 10.895 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.597-119.381 12.203 1.00 0.00 C ATOM 1271 C GLY A 112 -113.794-118.270 12.849 1.00 0.00 C ATOM 1272 O GLY A 112 -114.098-117.891 13.976 1.00 0.00 O ATOM 0 H GLY A 112 -114.525-119.284 10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.628-119.043 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -114.608-120.234 12.881 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.756-117.705 12.174 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.931-116.620 12.697 1.00 0.00 C ATOM 1278 C LYS A 113 -112.220-115.315 11.952 1.00 0.00 C ATOM 1279 O LYS A 113 -112.072-115.242 10.733 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.419-116.978 12.587 1.00 0.00 C ATOM 1281 CG LYS A 113 -110.002-118.245 13.366 1.00 0.00 C ATOM 1282 CD LYS A 113 -110.259-118.186 14.886 1.00 0.00 C ATOM 1283 CE LYS A 113 -109.517-117.049 15.607 1.00 0.00 C ATOM 1284 NZ LYS A 113 -109.769-117.095 17.066 1.00 0.00 N ATOM 0 H LYS A 113 -112.478-118.006 11.240 1.00 0.00 H new ATOM 0 HA LYS A 113 -112.180-116.482 13.749 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.166-117.114 11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -109.832-116.134 12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -110.538-119.100 12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -108.940-118.424 13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -111.329-118.073 15.058 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -109.964-119.137 15.330 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -108.447-117.129 15.416 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -109.841-116.088 15.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -109.258-116.318 17.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -110.789-116.995 17.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -109.438-118.004 17.447 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.625-114.226 12.681 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.925-112.895 12.130 1.00 0.00 C ATOM 1300 C ILE A 114 -111.621-112.091 12.040 1.00 0.00 C ATOM 1301 O ILE A 114 -111.061-111.636 13.038 1.00 0.00 O ATOM 1302 CB ILE A 114 -113.984-112.145 12.961 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -115.247-113.008 13.229 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -114.409-110.857 12.210 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -115.207-113.859 14.506 1.00 0.00 C ATOM 0 H ILE A 114 -112.750-114.269 13.692 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.352-113.018 11.135 1.00 0.00 H new ATOM 0 HB ILE A 114 -113.532-111.906 13.923 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -116.113-112.348 13.280 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -115.401-113.670 12.377 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -115.158-110.325 12.796 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -113.539-110.216 12.065 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -114.829-111.123 11.240 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -116.136-114.422 14.598 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -114.367-114.552 14.456 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -115.090-113.209 15.373 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.090-111.923 10.807 1.00 0.00 N ATOM 1318 CA VAL A 115 -109.751-111.398 10.526 1.00 0.00 C ATOM 1319 C VAL A 115 -109.685-110.257 9.492 1.00 0.00 C ATOM 1320 O VAL A 115 -110.598-110.074 8.684 1.00 0.00 O ATOM 1321 CB VAL A 115 -108.807-112.562 10.108 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.657-113.573 11.271 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -109.304-113.323 8.854 1.00 0.00 C ATOM 0 H VAL A 115 -111.605-112.159 9.959 1.00 0.00 H new ATOM 0 HA VAL A 115 -109.421-110.941 11.459 1.00 0.00 H new ATOM 0 HB VAL A 115 -107.848-112.105 9.865 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.994-114.383 10.966 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.236-113.068 12.140 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -109.635-113.981 11.527 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.604-114.123 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -110.287-113.749 9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.371-112.633 8.013 1.00 0.00 H new ATOM 1333 N THR A 116 -108.511-109.536 9.507 1.00 0.00 N ATOM 1334 CA THR A 116 -107.920-108.536 8.579 1.00 0.00 C ATOM 1335 C THR A 116 -108.379-107.076 8.330 1.00 0.00 C ATOM 1336 O THR A 116 -107.799-106.178 8.944 1.00 0.00 O ATOM 1337 CB THR A 116 -107.250-109.201 7.347 1.00 0.00 C ATOM 1338 OG1 THR A 116 -106.483-108.342 6.505 1.00 0.00 O ATOM 1339 CG2 THR A 116 -108.257-109.930 6.456 1.00 0.00 C ATOM 0 H THR A 116 -107.875-109.674 10.292 1.00 0.00 H new ATOM 0 HA THR A 116 -107.287-108.150 9.378 1.00 0.00 H new ATOM 0 HB THR A 116 -106.557-109.896 7.822 1.00 0.00 H new ATOM 0 HG1 THR A 116 -106.106-108.861 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 116 -107.737-110.377 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 116 -108.753-110.712 7.031 1.00 0.00 H new ATOM 0 HG23 THR A 116 -109.001-109.221 6.092 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.310-106.793 7.360 1.00 0.00 N ATOM 1348 CA PHE A 117 -109.726-105.485 6.851 1.00 0.00 C ATOM 1349 C PHE A 117 -109.206-105.028 5.491 1.00 0.00 C ATOM 1350 O PHE A 117 -110.002-105.002 4.549 1.00 0.00 O ATOM 1351 CB PHE A 117 -110.009-104.318 7.853 1.00 0.00 C ATOM 1352 CG PHE A 117 -111.494-104.230 8.098 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -112.307-103.491 7.255 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -112.081-105.013 9.073 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -113.671-103.440 7.455 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -113.446-104.957 9.284 1.00 0.00 C ATOM 1357 CZ PHE A 117 -114.244-104.163 8.481 1.00 0.00 C ATOM 0 H PHE A 117 -109.814-107.547 6.893 1.00 0.00 H new ATOM 0 HA PHE A 117 -110.736-105.831 6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -109.482-104.492 8.791 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -109.638-103.376 7.449 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -111.868-102.948 6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -111.471-105.672 9.673 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -114.290-102.835 6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -113.891-105.536 10.080 1.00 0.00 H new ATOM 0 HZ PHE A 117 -115.308-104.109 8.656 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.916-104.609 5.332 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.426-104.009 4.076 1.00 0.00 C ATOM 1369 C ILE A 118 -106.546-104.874 3.168 1.00 0.00 C ATOM 1370 O ILE A 118 -105.671-105.633 3.587 1.00 0.00 O ATOM 1371 CB ILE A 118 -106.771-102.632 4.264 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -105.501-102.646 5.151 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -107.853-101.660 4.796 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -104.676-101.364 4.990 1.00 0.00 C ATOM 0 H ILE A 118 -107.207-104.680 6.062 1.00 0.00 H new ATOM 0 HA ILE A 118 -108.369-103.903 3.539 1.00 0.00 H new ATOM 0 HB ILE A 118 -106.399-102.294 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -105.789-102.763 6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -104.886-103.508 4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -107.416-100.672 4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -108.669-101.595 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -108.237-102.028 5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -103.795-101.416 5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -104.365-101.260 3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -105.281-100.504 5.275 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.745-104.667 1.838 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.945-105.254 0.780 1.00 0.00 C ATOM 1388 C GLY A 119 -106.317-104.627 -0.540 1.00 0.00 C ATOM 1389 O GLY A 119 -107.195-103.773 -0.592 1.00 0.00 O ATOM 0 H GLY A 119 -107.491-104.068 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.885-105.099 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.108-106.331 0.742 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.673-105.072 -1.645 1.00 0.00 N ATOM 1394 CA ASP A 120 -105.933-104.649 -3.027 1.00 0.00 C ATOM 1395 C ASP A 120 -106.157-105.894 -3.926 1.00 0.00 C ATOM 1396 O ASP A 120 -105.172-106.554 -4.256 1.00 0.00 O ATOM 1397 CB ASP A 120 -104.749-103.779 -3.564 1.00 0.00 C ATOM 1398 CG ASP A 120 -105.077-103.063 -4.883 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -106.045-102.257 -4.895 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -104.364-103.319 -5.890 1.00 0.00 O ATOM 0 H ASP A 120 -104.927-105.765 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 120 -106.836-104.038 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -104.481-103.037 -2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -103.876-104.415 -3.710 1.00 0.00 H new ATOM 1405 N PRO A 121 -107.385-106.309 -4.312 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.652-107.508 -5.131 1.00 0.00 C ATOM 1407 C PRO A 121 -107.401-107.329 -6.645 1.00 0.00 C ATOM 1408 O PRO A 121 -107.733-106.300 -7.234 1.00 0.00 O ATOM 1409 CB PRO A 121 -109.118-107.838 -4.791 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.755-106.489 -4.443 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.614-105.695 -3.814 1.00 0.00 C ATOM 0 HA PRO A 121 -106.961-108.319 -4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -109.623-108.308 -5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -109.183-108.533 -3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -110.146-105.991 -5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.588-106.608 -3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -108.668-104.643 -4.094 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.660-105.738 -2.726 1.00 0.00 H new ATOM 1419 N VAL A 122 -106.769-108.348 -7.290 1.00 0.00 N ATOM 1420 CA VAL A 122 -106.370-108.392 -8.693 1.00 0.00 C ATOM 1421 C VAL A 122 -106.964-109.642 -9.339 1.00 0.00 C ATOM 1422 O VAL A 122 -106.669-110.760 -8.917 1.00 0.00 O ATOM 1423 CB VAL A 122 -104.834-108.454 -8.827 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -104.398-108.324 -10.305 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -104.178-107.329 -7.995 1.00 0.00 C ATOM 0 H VAL A 122 -106.517-109.205 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 122 -106.733-107.490 -9.185 1.00 0.00 H new ATOM 0 HB VAL A 122 -104.505-109.423 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -103.311-108.371 -10.369 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -104.831-109.139 -10.885 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -104.744-107.370 -10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -103.094-107.384 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -104.528-106.361 -8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -104.449-107.447 -6.946 1.00 0.00 H new ATOM 1435 N ASP A 123 -107.789-109.503 -10.413 1.00 0.00 N ATOM 1436 CA ASP A 123 -108.379-110.612 -11.170 1.00 0.00 C ATOM 1437 C ASP A 123 -107.435-111.060 -12.282 1.00 0.00 C ATOM 1438 O ASP A 123 -107.246-110.351 -13.263 1.00 0.00 O ATOM 1439 CB ASP A 123 -109.821-110.327 -11.710 1.00 0.00 C ATOM 1440 CG ASP A 123 -109.971-109.039 -12.535 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -109.828-107.930 -11.955 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -110.247-109.156 -13.760 1.00 0.00 O ATOM 0 H ASP A 123 -108.061-108.589 -10.775 1.00 0.00 H new ATOM 0 HA ASP A 123 -108.506-111.431 -10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -110.134-111.171 -12.324 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -110.505-110.278 -10.863 1.00 0.00 H new ATOM 1520 N GLU A 129 -109.887-118.906 -14.040 1.00 0.00 N ATOM 1521 CA GLU A 129 -110.866-117.934 -13.553 1.00 0.00 C ATOM 1522 C GLU A 129 -110.610-117.526 -12.110 1.00 0.00 C ATOM 1523 O GLU A 129 -111.506-117.497 -11.276 1.00 0.00 O ATOM 1524 CB GLU A 129 -112.362-118.289 -13.825 1.00 0.00 C ATOM 1525 CG GLU A 129 -112.792-118.160 -15.303 1.00 0.00 C ATOM 1526 CD GLU A 129 -112.178-119.248 -16.184 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -112.508-120.444 -15.965 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -111.373-118.897 -17.089 1.00 0.00 O ATOM 0 HA GLU A 129 -110.696-117.055 -14.175 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -112.546-119.311 -13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -112.993-117.639 -13.218 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -113.879-118.213 -15.369 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -112.497-117.181 -15.681 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.333-117.206 -11.778 1.00 0.00 N ATOM 1536 CA ILE A 130 -108.920-116.868 -10.421 1.00 0.00 C ATOM 1537 C ILE A 130 -108.606-115.387 -10.230 1.00 0.00 C ATOM 1538 O ILE A 130 -108.030-114.696 -11.085 1.00 0.00 O ATOM 1539 CB ILE A 130 -107.798-117.783 -9.899 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -106.415-117.582 -10.562 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -108.256-119.256 -10.045 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -105.439-116.775 -9.701 1.00 0.00 C ATOM 0 H ILE A 130 -108.571-117.179 -12.456 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.792-117.061 -9.797 1.00 0.00 H new ATOM 0 HB ILE A 130 -107.640-117.509 -8.856 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -105.978-118.557 -10.776 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -106.549-117.076 -11.518 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -107.472-119.919 -9.679 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -109.165-119.414 -9.464 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -108.454-119.473 -11.095 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -104.490-116.672 -10.226 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -105.856-115.786 -9.508 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -105.276-117.291 -8.755 1.00 0.00 H new ATOM 1554 N THR A 131 -108.996-114.891 -9.021 1.00 0.00 N ATOM 1555 CA THR A 131 -108.732-113.567 -8.460 1.00 0.00 C ATOM 1556 C THR A 131 -107.797-113.738 -7.278 1.00 0.00 C ATOM 1557 O THR A 131 -108.002-114.618 -6.444 1.00 0.00 O ATOM 1558 CB THR A 131 -110.018-112.889 -8.046 1.00 0.00 C ATOM 1559 OG1 THR A 131 -110.786-112.703 -9.225 1.00 0.00 O ATOM 1560 CG2 THR A 131 -109.786-111.502 -7.423 1.00 0.00 C ATOM 0 H THR A 131 -109.543-115.463 -8.378 1.00 0.00 H new ATOM 0 HA THR A 131 -108.267-112.928 -9.211 1.00 0.00 H new ATOM 0 HB THR A 131 -110.510-113.513 -7.299 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.633-112.265 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 131 -110.744-111.063 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 131 -109.162-111.602 -6.535 1.00 0.00 H new ATOM 0 HG23 THR A 131 -109.288-110.857 -8.147 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.720-112.911 -7.220 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.631-112.966 -6.264 1.00 0.00 C ATOM 1570 C ARG A 132 -105.450-111.644 -5.534 1.00 0.00 C ATOM 1571 O ARG A 132 -105.533-110.568 -6.129 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.330-113.358 -7.017 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.106-113.705 -6.144 1.00 0.00 C ATOM 1574 CD ARG A 132 -103.325-114.872 -5.166 1.00 0.00 C ATOM 1575 NE ARG A 132 -102.016-115.176 -4.490 1.00 0.00 N ATOM 1576 CZ ARG A 132 -101.899-115.994 -3.397 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -102.999-116.532 -2.796 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -100.656-116.275 -2.906 1.00 0.00 N ATOM 0 H ARG A 132 -106.601-112.150 -7.888 1.00 0.00 H new ATOM 0 HA ARG A 132 -105.866-113.713 -5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -104.549-114.216 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -104.056-112.534 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -102.268-113.948 -6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -102.820-112.820 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -104.082-114.610 -4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -103.690-115.750 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 132 -101.169-114.750 -4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -103.930-116.328 -3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -102.891-117.139 -1.983 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -99.829-115.877 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -100.554-116.882 -2.093 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.189-111.669 -4.202 1.00 0.00 N ATOM 1593 CA ILE A 133 -104.890-110.458 -3.423 1.00 0.00 C ATOM 1594 C ILE A 133 -103.685-110.709 -2.521 1.00 0.00 C ATOM 1595 O ILE A 133 -103.529-111.787 -1.937 1.00 0.00 O ATOM 1596 CB ILE A 133 -106.094-109.941 -2.619 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -105.865-108.630 -1.815 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -106.657-111.041 -1.731 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -105.552-108.804 -0.324 1.00 0.00 C ATOM 0 H ILE A 133 -105.182-112.526 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 133 -104.651-109.666 -4.133 1.00 0.00 H new ATOM 0 HB ILE A 133 -106.827-109.658 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -105.044-108.082 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -106.756-108.009 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -107.508-110.656 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -106.979-111.879 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -105.887-111.378 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -105.411-107.825 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -106.380-109.318 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -104.642-109.393 -0.210 1.00 0.00 H new