USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 489 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 HIS : no HD1:sc= -2.27 K(o=-3.4,f=0.98) USER MOD Set 1.2: A 73 GLN : amide:sc= -0.351 K(o=-3.4,f=0.83) USER MOD Set 1.3: A 93 ASN : amide:sc= 0 K(o=-3.4,f=0.68) USER MOD Set 1.4: A 110 TYR OH : rot 180:sc= -0.752 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0629 K(o=-0.063,f=-1.4!) USER MOD Single : A 47 SER OG : rot 21:sc= 1.27 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 25:sc= 1.33 USER MOD Single : A 92 TYR OH : rot -122:sc= 1.27 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 102:sc= 1.15 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0826) USER MOD Single : A 106 MET CE :methyl -165:sc= -0.0491 (180deg=-0.597) 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 170:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -113.250-124.399 -0.053 1.00 0.00 N ATOM 114 CA ASP A 41 -114.355-124.564 0.879 1.00 0.00 C ATOM 115 C ASP A 41 -115.183-123.275 0.905 1.00 0.00 C ATOM 116 O ASP A 41 -114.703-122.204 0.521 1.00 0.00 O ATOM 117 CB ASP A 41 -113.817-124.931 2.299 1.00 0.00 C ATOM 118 CG ASP A 41 -114.894-125.510 3.229 1.00 0.00 C ATOM 119 OD1 ASP A 41 -115.462-126.578 2.877 1.00 0.00 O ATOM 120 OD2 ASP A 41 -115.154-124.893 4.295 1.00 0.00 O ATOM 0 HA ASP A 41 -114.996-125.383 0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -113.008-125.655 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -113.391-124.040 2.759 1.00 0.00 H new ATOM 125 N VAL A 42 -116.457-123.376 1.366 1.00 0.00 N ATOM 126 CA VAL A 42 -117.420-122.280 1.401 1.00 0.00 C ATOM 127 C VAL A 42 -117.443-121.648 2.789 1.00 0.00 C ATOM 128 O VAL A 42 -117.791-122.252 3.804 1.00 0.00 O ATOM 129 CB VAL A 42 -118.807-122.749 0.949 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.798-122.877 -0.589 1.00 0.00 C ATOM 131 CG2 VAL A 42 -119.189-124.104 1.584 1.00 0.00 C ATOM 0 H VAL A 42 -116.837-124.250 1.729 1.00 0.00 H new ATOM 0 HA VAL A 42 -117.109-121.511 0.694 1.00 0.00 H new ATOM 0 HB VAL A 42 -119.548-122.018 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.777-123.210 -0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -118.568-121.909 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -118.042-123.603 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -120.179-124.402 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -118.460-124.861 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -119.198-124.007 2.670 1.00 0.00 H new ATOM 141 N ILE A 43 -117.018-120.359 2.820 1.00 0.00 N ATOM 142 CA ILE A 43 -116.787-119.529 4.009 1.00 0.00 C ATOM 143 C ILE A 43 -117.719-118.308 4.012 1.00 0.00 C ATOM 144 O ILE A 43 -118.431-118.110 3.026 1.00 0.00 O ATOM 145 CB ILE A 43 -115.269-119.303 4.133 1.00 0.00 C ATOM 146 CG1 ILE A 43 -114.698-120.068 5.352 1.00 0.00 C ATOM 147 CG2 ILE A 43 -114.787-117.837 4.095 1.00 0.00 C ATOM 148 CD1 ILE A 43 -114.679-121.595 5.195 1.00 0.00 C ATOM 0 H ILE A 43 -116.818-119.850 1.959 1.00 0.00 H new ATOM 0 HA ILE A 43 -117.072-120.013 4.943 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.858-119.719 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.681-119.722 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -115.287-119.814 6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.702-117.808 4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -115.080-117.382 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -115.239-117.284 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -114.264-122.048 6.095 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -115.695-121.958 5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -114.064-121.865 4.336 1.00 0.00 H new ATOM 160 N THR A 44 -117.805-117.483 5.116 1.00 0.00 N ATOM 161 CA THR A 44 -118.731-116.326 5.218 1.00 0.00 C ATOM 162 C THR A 44 -117.998-114.987 5.164 1.00 0.00 C ATOM 163 O THR A 44 -117.193-114.665 6.043 1.00 0.00 O ATOM 164 CB THR A 44 -119.611-116.336 6.475 1.00 0.00 C ATOM 165 OG1 THR A 44 -120.286-117.576 6.601 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.720-115.267 6.397 1.00 0.00 C ATOM 0 H THR A 44 -117.230-117.614 5.948 1.00 0.00 H new ATOM 0 HA THR A 44 -119.376-116.437 4.347 1.00 0.00 H new ATOM 0 HB THR A 44 -118.942-116.148 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.841-117.566 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.324-115.302 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.268-114.280 6.301 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.353-115.462 5.531 1.00 0.00 H new ATOM 174 N PHE A 45 -118.276-114.157 4.122 1.00 0.00 N ATOM 175 CA PHE A 45 -117.622-112.873 3.863 1.00 0.00 C ATOM 176 C PHE A 45 -118.550-111.681 4.248 1.00 0.00 C ATOM 177 O PHE A 45 -119.736-111.696 3.877 1.00 0.00 O ATOM 178 CB PHE A 45 -117.193-112.770 2.357 1.00 0.00 C ATOM 179 CG PHE A 45 -116.385-113.965 1.830 1.00 0.00 C ATOM 180 CD1 PHE A 45 -117.021-115.189 1.725 1.00 0.00 C ATOM 181 CD2 PHE A 45 -115.107-113.896 1.256 1.00 0.00 C ATOM 182 CE1 PHE A 45 -116.393-116.299 1.251 1.00 0.00 C ATOM 183 CE2 PHE A 45 -114.479-115.028 0.771 1.00 0.00 C ATOM 184 CZ PHE A 45 -115.115-116.239 0.781 1.00 0.00 C ATOM 0 H PHE A 45 -118.986-114.383 3.425 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.729-112.819 4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -118.089-112.659 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.602-111.864 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -118.054-115.266 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -114.605-112.942 1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -116.916-117.244 1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -113.475-114.955 0.380 1.00 0.00 H new ATOM 0 HZ PHE A 45 -114.616-117.128 0.424 1.00 0.00 H new ATOM 194 N GLN A 46 -118.021-110.638 4.988 1.00 0.00 N ATOM 195 CA GLN A 46 -118.672-109.404 5.469 1.00 0.00 C ATOM 196 C GLN A 46 -117.887-108.167 4.970 1.00 0.00 C ATOM 197 O GLN A 46 -116.708-108.282 4.645 1.00 0.00 O ATOM 198 CB GLN A 46 -118.701-109.322 7.037 1.00 0.00 C ATOM 199 CG GLN A 46 -119.461-110.448 7.786 1.00 0.00 C ATOM 200 CD GLN A 46 -119.359-110.248 9.308 1.00 0.00 C ATOM 201 OE1 GLN A 46 -118.715-109.304 9.767 1.00 0.00 O ATOM 202 NE2 GLN A 46 -120.010-111.142 10.103 1.00 0.00 N ATOM 0 H GLN A 46 -117.043-110.664 5.276 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.692-109.421 5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -117.672-109.312 7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -119.146-108.368 7.318 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -120.508-110.451 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -119.047-111.418 7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -120.533-111.911 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -119.975-111.043 11.118 1.00 0.00 H new ATOM 211 N SER A 47 -118.496-106.943 4.932 1.00 0.00 N ATOM 212 CA SER A 47 -117.830-105.708 4.485 1.00 0.00 C ATOM 213 C SER A 47 -118.252-104.488 5.310 1.00 0.00 C ATOM 214 O SER A 47 -119.297-104.476 5.971 1.00 0.00 O ATOM 215 CB SER A 47 -118.103-105.440 2.965 1.00 0.00 C ATOM 216 OG SER A 47 -117.306-104.402 2.380 1.00 0.00 O ATOM 0 H SER A 47 -119.466-106.800 5.214 1.00 0.00 H new ATOM 0 HA SER A 47 -116.761-105.860 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 47 -117.932-106.364 2.412 1.00 0.00 H new ATOM 0 HB3 SER A 47 -119.155-105.184 2.840 1.00 0.00 H new ATOM 0 HG SER A 47 -116.505-104.257 2.926 1.00 0.00 H new ATOM 222 N TYR A 48 -117.429-103.408 5.255 1.00 0.00 N ATOM 223 CA TYR A 48 -117.667-102.110 5.864 1.00 0.00 C ATOM 224 C TYR A 48 -117.860-101.135 4.702 1.00 0.00 C ATOM 225 O TYR A 48 -117.038-101.072 3.790 1.00 0.00 O ATOM 226 CB TYR A 48 -116.423-101.758 6.737 1.00 0.00 C ATOM 227 CG TYR A 48 -116.529-100.560 7.646 1.00 0.00 C ATOM 228 CD1 TYR A 48 -117.646-100.336 8.427 1.00 0.00 C ATOM 229 CD2 TYR A 48 -115.435 -99.724 7.803 1.00 0.00 C ATOM 230 CE1 TYR A 48 -117.676 -99.299 9.337 1.00 0.00 C ATOM 231 CE2 TYR A 48 -115.452 -98.695 8.723 1.00 0.00 C ATOM 232 CZ TYR A 48 -116.574 -98.483 9.492 1.00 0.00 C ATOM 233 OH TYR A 48 -116.601 -97.446 10.448 1.00 0.00 O ATOM 0 H TYR A 48 -116.541-103.440 4.754 1.00 0.00 H new ATOM 0 HA TYR A 48 -118.542-102.079 6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -116.186-102.627 7.351 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -115.577-101.600 6.069 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -118.507-100.980 8.324 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -114.555 -99.880 7.196 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -118.563 -99.126 9.928 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -114.588 -98.058 8.839 1.00 0.00 H new ATOM 0 HH TYR A 48 -115.747 -96.965 10.433 1.00 0.00 H new ATOM 431 N TRP A 62 -121.935-101.805 9.126 1.00 0.00 N ATOM 432 CA TRP A 62 -121.382-103.125 8.948 1.00 0.00 C ATOM 433 C TRP A 62 -122.527-104.030 8.471 1.00 0.00 C ATOM 434 O TRP A 62 -123.619-104.023 9.044 1.00 0.00 O ATOM 435 CB TRP A 62 -120.813-103.597 10.322 1.00 0.00 C ATOM 436 CG TRP A 62 -119.403-103.093 10.605 1.00 0.00 C ATOM 437 CD1 TRP A 62 -118.891-102.157 11.463 1.00 0.00 C ATOM 438 CD2 TRP A 62 -118.277-103.695 9.963 1.00 0.00 C ATOM 439 NE1 TRP A 62 -117.518-102.151 11.393 1.00 0.00 N ATOM 440 CE2 TRP A 62 -117.137-103.108 10.490 1.00 0.00 C ATOM 441 CE3 TRP A 62 -118.212-104.671 9.023 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -115.906-103.512 10.112 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -116.956-105.096 8.637 1.00 0.00 C ATOM 444 CH2 TRP A 62 -115.812-104.534 9.186 1.00 0.00 C ATOM 0 HA TRP A 62 -120.575-103.150 8.216 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -121.477-103.257 11.117 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -120.813-104.687 10.351 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -119.480-101.516 12.102 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -116.893-101.541 11.921 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -119.106-105.098 8.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -115.020-103.050 10.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -116.863-105.877 7.897 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -114.840-104.898 8.887 1.00 0.00 H new ATOM 455 N VAL A 63 -122.287-104.828 7.390 1.00 0.00 N ATOM 456 CA VAL A 63 -123.247-105.762 6.799 1.00 0.00 C ATOM 457 C VAL A 63 -122.501-107.027 6.384 1.00 0.00 C ATOM 458 O VAL A 63 -121.285-107.009 6.180 1.00 0.00 O ATOM 459 CB VAL A 63 -124.031-105.201 5.591 1.00 0.00 C ATOM 460 CG1 VAL A 63 -125.039-104.130 6.064 1.00 0.00 C ATOM 461 CG2 VAL A 63 -123.088-104.626 4.509 1.00 0.00 C ATOM 0 H VAL A 63 -121.390-104.827 6.904 1.00 0.00 H new ATOM 0 HA VAL A 63 -123.997-105.964 7.564 1.00 0.00 H new ATOM 0 HB VAL A 63 -124.577-106.027 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -125.586-103.741 5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -125.740-104.576 6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -124.503-103.316 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -123.679-104.242 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -122.495-103.817 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -122.424-105.412 4.150 1.00 0.00 H new ATOM 471 N ASP A 64 -123.251-108.158 6.227 1.00 0.00 N ATOM 472 CA ASP A 64 -122.803-109.480 5.775 1.00 0.00 C ATOM 473 C ASP A 64 -123.089-109.562 4.279 1.00 0.00 C ATOM 474 O ASP A 64 -124.189-109.228 3.855 1.00 0.00 O ATOM 475 CB ASP A 64 -123.539-110.611 6.565 1.00 0.00 C ATOM 476 CG ASP A 64 -123.047-112.027 6.222 1.00 0.00 C ATOM 477 OD1 ASP A 64 -121.820-112.269 6.346 1.00 0.00 O ATOM 478 OD2 ASP A 64 -123.894-112.872 5.826 1.00 0.00 O ATOM 0 H ASP A 64 -124.250-108.153 6.431 1.00 0.00 H new ATOM 0 HA ASP A 64 -121.738-109.617 5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -123.408-110.440 7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -124.608-110.548 6.361 1.00 0.00 H new ATOM 483 N GLU A 65 -122.099-109.951 3.435 1.00 0.00 N ATOM 484 CA GLU A 65 -122.194-109.902 1.984 1.00 0.00 C ATOM 485 C GLU A 65 -122.708-111.166 1.318 1.00 0.00 C ATOM 486 O GLU A 65 -123.722-111.152 0.625 1.00 0.00 O ATOM 487 CB GLU A 65 -120.804-109.573 1.363 1.00 0.00 C ATOM 488 CG GLU A 65 -120.121-108.289 1.858 1.00 0.00 C ATOM 489 CD GLU A 65 -120.853-107.047 1.352 1.00 0.00 C ATOM 490 OE1 GLU A 65 -121.929-106.711 1.915 1.00 0.00 O ATOM 491 OE2 GLU A 65 -120.335-106.408 0.397 1.00 0.00 O ATOM 0 H GLU A 65 -121.204-110.311 3.767 1.00 0.00 H new ATOM 0 HA GLU A 65 -122.931-109.122 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -120.136-110.412 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -120.921-109.503 0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -120.098-108.283 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.086-108.269 1.517 1.00 0.00 H new ATOM 498 N PHE A 66 -121.948-112.279 1.465 1.00 0.00 N ATOM 499 CA PHE A 66 -122.220-113.508 0.730 1.00 0.00 C ATOM 500 C PHE A 66 -121.476-114.652 1.415 1.00 0.00 C ATOM 501 O PHE A 66 -120.670-114.443 2.326 1.00 0.00 O ATOM 502 CB PHE A 66 -121.802-113.378 -0.805 1.00 0.00 C ATOM 503 CG PHE A 66 -120.321-113.081 -1.021 1.00 0.00 C ATOM 504 CD1 PHE A 66 -119.420-114.121 -1.083 1.00 0.00 C ATOM 505 CD2 PHE A 66 -119.810-111.797 -1.052 1.00 0.00 C ATOM 506 CE1 PHE A 66 -118.076-113.897 -0.931 1.00 0.00 C ATOM 507 CE2 PHE A 66 -118.457-111.563 -0.887 1.00 0.00 C ATOM 508 CZ PHE A 66 -117.583-112.623 -0.762 1.00 0.00 C ATOM 0 H PHE A 66 -121.144-112.336 2.090 1.00 0.00 H new ATOM 0 HA PHE A 66 -123.291-113.709 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -122.055-114.305 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -122.392-112.586 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -119.777-115.126 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -120.478-110.963 -1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -117.393-114.734 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -118.084-110.550 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 66 -116.540-112.458 -0.537 1.00 0.00 H new ATOM 518 N THR A 67 -121.658-115.899 0.914 1.00 0.00 N ATOM 519 CA THR A 67 -120.863-117.060 1.301 1.00 0.00 C ATOM 520 C THR A 67 -120.354-117.631 -0.019 1.00 0.00 C ATOM 521 O THR A 67 -121.109-117.752 -0.986 1.00 0.00 O ATOM 522 CB THR A 67 -121.614-118.064 2.188 1.00 0.00 C ATOM 523 OG1 THR A 67 -120.811-119.189 2.537 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.928-118.559 1.557 1.00 0.00 C ATOM 0 H THR A 67 -122.375-116.115 0.221 1.00 0.00 H new ATOM 0 HA THR A 67 -120.035-116.785 1.955 1.00 0.00 H new ATOM 0 HB THR A 67 -121.856-117.507 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 67 -119.864-118.938 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 67 -123.412-119.265 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 67 -123.590-117.711 1.383 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.713-119.052 0.609 1.00 0.00 H new ATOM 532 N ALA A 68 -119.040-117.942 -0.095 1.00 0.00 N ATOM 533 CA ALA A 68 -118.411-118.376 -1.345 1.00 0.00 C ATOM 534 C ALA A 68 -117.137-119.178 -1.159 1.00 0.00 C ATOM 535 O ALA A 68 -116.537-119.218 -0.082 1.00 0.00 O ATOM 536 CB ALA A 68 -118.164-117.230 -2.353 1.00 0.00 C ATOM 0 H ALA A 68 -118.402-117.898 0.700 1.00 0.00 H new ATOM 0 HA ALA A 68 -119.160-119.044 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -117.696-117.631 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -119.114-116.765 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -117.507-116.485 -1.903 1.00 0.00 H new ATOM 542 N ALA A 69 -116.701-119.861 -2.258 1.00 0.00 N ATOM 543 CA ALA A 69 -115.519-120.706 -2.318 1.00 0.00 C ATOM 544 C ALA A 69 -114.209-119.923 -2.533 1.00 0.00 C ATOM 545 O ALA A 69 -113.948-119.259 -3.542 1.00 0.00 O ATOM 546 CB ALA A 69 -115.708-121.811 -3.381 1.00 0.00 C ATOM 0 H ALA A 69 -117.198-119.822 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.413-121.172 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.817-122.437 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.571-122.423 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.869-121.353 -4.357 1.00 0.00 H new ATOM 552 N ALA A 70 -113.349-119.988 -1.495 1.00 0.00 N ATOM 553 CA ALA A 70 -112.108-119.257 -1.438 1.00 0.00 C ATOM 554 C ALA A 70 -111.247-119.871 -0.365 1.00 0.00 C ATOM 555 O ALA A 70 -111.725-120.649 0.457 1.00 0.00 O ATOM 556 CB ALA A 70 -112.334-117.767 -1.051 1.00 0.00 C ATOM 0 H ALA A 70 -113.519-120.564 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.643-119.303 -2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.375-117.250 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -112.977-117.292 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.808-117.714 -0.071 1.00 0.00 H new ATOM 562 N HIS A 71 -109.969-119.423 -0.353 1.00 0.00 N ATOM 563 CA HIS A 71 -108.977-119.659 0.667 1.00 0.00 C ATOM 564 C HIS A 71 -108.631-118.225 1.036 1.00 0.00 C ATOM 565 O HIS A 71 -107.984-117.530 0.250 1.00 0.00 O ATOM 566 CB HIS A 71 -107.776-120.406 0.026 1.00 0.00 C ATOM 567 CG HIS A 71 -106.591-120.628 0.913 1.00 0.00 C ATOM 568 ND1 HIS A 71 -105.503-119.788 0.978 1.00 0.00 N ATOM 569 CD2 HIS A 71 -106.338-121.634 1.789 1.00 0.00 C ATOM 570 CE1 HIS A 71 -104.649-120.328 1.882 1.00 0.00 C ATOM 571 NE2 HIS A 71 -105.123-121.439 2.411 1.00 0.00 N ATOM 0 H HIS A 71 -109.602-118.852 -1.115 1.00 0.00 H new ATOM 0 HA HIS A 71 -109.281-120.267 1.519 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -108.125-121.375 -0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -107.449-119.844 -0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -106.996-122.470 1.973 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -103.692-119.898 2.139 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -104.687-122.025 3.123 1.00 0.00 H new ATOM 579 N VAL A 72 -109.078-117.731 2.227 1.00 0.00 N ATOM 580 CA VAL A 72 -108.966-116.339 2.674 1.00 0.00 C ATOM 581 C VAL A 72 -108.033-116.492 3.889 1.00 0.00 C ATOM 582 O VAL A 72 -108.531-116.771 4.976 1.00 0.00 O ATOM 583 CB VAL A 72 -110.438-115.842 3.037 1.00 0.00 C ATOM 584 CG1 VAL A 72 -110.888-114.366 2.740 1.00 0.00 C ATOM 585 CG2 VAL A 72 -111.508-116.748 2.378 1.00 0.00 C ATOM 0 H VAL A 72 -109.540-118.325 2.916 1.00 0.00 H new ATOM 0 HA VAL A 72 -108.576-115.607 1.967 1.00 0.00 H new ATOM 0 HB VAL A 72 -110.368-115.897 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -111.921-114.229 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -110.245-113.673 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -110.811-114.170 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -112.502-116.387 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -111.388-116.724 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -111.387-117.771 2.733 1.00 0.00 H new ATOM 595 N GLN A 73 -106.676-116.289 3.795 1.00 0.00 N ATOM 596 CA GLN A 73 -105.720-116.616 4.878 1.00 0.00 C ATOM 597 C GLN A 73 -104.880-115.436 5.385 1.00 0.00 C ATOM 598 O GLN A 73 -104.625-114.514 4.609 1.00 0.00 O ATOM 599 CB GLN A 73 -104.742-117.785 4.470 1.00 0.00 C ATOM 600 CG GLN A 73 -103.654-117.506 3.388 1.00 0.00 C ATOM 601 CD GLN A 73 -102.321-118.241 3.652 1.00 0.00 C ATOM 602 OE1 GLN A 73 -102.010-119.325 3.153 1.00 0.00 O ATOM 603 NE2 GLN A 73 -101.454-117.562 4.453 1.00 0.00 N ATOM 0 H GLN A 73 -106.231-115.896 2.966 1.00 0.00 H new ATOM 0 HA GLN A 73 -106.369-116.925 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -104.232-118.120 5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -105.351-118.619 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -104.038-117.805 2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -103.466-116.433 3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -101.728-116.667 4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -100.531-117.949 4.649 1.00 0.00 H new ATOM 612 N PRO A 74 -104.410-115.370 6.667 1.00 0.00 N ATOM 613 CA PRO A 74 -103.559-114.286 7.188 1.00 0.00 C ATOM 614 C PRO A 74 -102.123-114.300 6.653 1.00 0.00 C ATOM 615 O PRO A 74 -101.602-115.360 6.312 1.00 0.00 O ATOM 616 CB PRO A 74 -103.654-114.461 8.719 1.00 0.00 C ATOM 617 CG PRO A 74 -103.926-115.951 8.950 1.00 0.00 C ATOM 618 CD PRO A 74 -104.720-116.361 7.703 1.00 0.00 C ATOM 0 HA PRO A 74 -103.900-113.305 6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -102.729-114.152 9.207 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -104.454-113.848 9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -103.001-116.519 9.043 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -104.496-116.119 9.864 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -104.441-117.363 7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -105.789-116.381 7.913 1.00 0.00 H new ATOM 626 N ILE A 75 -101.443-113.115 6.592 1.00 0.00 N ATOM 627 CA ILE A 75 -100.070-112.926 6.076 1.00 0.00 C ATOM 628 C ILE A 75 -98.952-113.214 7.112 1.00 0.00 C ATOM 629 O ILE A 75 -97.863-112.638 7.151 1.00 0.00 O ATOM 630 CB ILE A 75 -99.965-111.579 5.340 1.00 0.00 C ATOM 631 CG1 ILE A 75 -98.929-111.643 4.190 1.00 0.00 C ATOM 632 CG2 ILE A 75 -99.762-110.376 6.293 1.00 0.00 C ATOM 633 CD1 ILE A 75 -99.001-110.451 3.229 1.00 0.00 C ATOM 0 H ILE A 75 -101.859-112.241 6.914 1.00 0.00 H new ATOM 0 HA ILE A 75 -99.878-113.701 5.334 1.00 0.00 H new ATOM 0 HB ILE A 75 -100.933-111.394 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -97.928-111.694 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -99.082-112.563 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -99.696-109.457 5.710 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -100.605-110.310 6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -98.842-110.513 6.861 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -98.247-110.565 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -99.990-110.411 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -98.818-109.528 3.779 1.00 0.00 H new ATOM 894 N GLY A 91 -103.322-108.284 8.386 1.00 0.00 N ATOM 895 CA GLY A 91 -103.175-108.428 6.956 1.00 0.00 C ATOM 896 C GLY A 91 -103.377-109.825 6.487 1.00 0.00 C ATOM 897 O GLY A 91 -102.997-110.804 7.137 1.00 0.00 O ATOM 0 HA2 GLY A 91 -103.891-107.776 6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -102.180-108.093 6.663 1.00 0.00 H new ATOM 901 N TYR A 92 -103.966-109.933 5.266 1.00 0.00 N ATOM 902 CA TYR A 92 -104.281-111.163 4.560 1.00 0.00 C ATOM 903 C TYR A 92 -103.512-111.321 3.237 1.00 0.00 C ATOM 904 O TYR A 92 -103.084-110.360 2.593 1.00 0.00 O ATOM 905 CB TYR A 92 -105.824-111.169 4.205 1.00 0.00 C ATOM 906 CG TYR A 92 -106.735-111.939 5.122 1.00 0.00 C ATOM 907 CD1 TYR A 92 -106.384-112.377 6.383 1.00 0.00 C ATOM 908 CD2 TYR A 92 -107.965-112.329 4.615 1.00 0.00 C ATOM 909 CE1 TYR A 92 -107.107-113.392 6.984 1.00 0.00 C ATOM 910 CE2 TYR A 92 -108.732-113.261 5.273 1.00 0.00 C ATOM 911 CZ TYR A 92 -108.258-113.869 6.404 1.00 0.00 C ATOM 912 OH TYR A 92 -108.931-115.009 6.897 1.00 0.00 O ATOM 0 H TYR A 92 -104.241-109.107 4.735 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.996-111.981 5.221 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -106.168-110.135 4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.938-111.572 3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -105.548-111.929 6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -108.324-111.896 3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -106.764-113.813 7.917 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -109.712-113.514 4.896 1.00 0.00 H new ATOM 0 HH TYR A 92 -109.000-115.681 6.187 1.00 0.00 H new ATOM 922 N ASN A 93 -103.486-112.598 2.759 1.00 0.00 N ATOM 923 CA ASN A 93 -103.142-112.982 1.389 1.00 0.00 C ATOM 924 C ASN A 93 -104.258-113.953 1.010 1.00 0.00 C ATOM 925 O ASN A 93 -104.485-114.975 1.655 1.00 0.00 O ATOM 926 CB ASN A 93 -101.695-113.545 1.165 1.00 0.00 C ATOM 927 CG ASN A 93 -101.259-114.722 2.049 1.00 0.00 C ATOM 928 OD1 ASN A 93 -101.140-114.612 3.269 1.00 0.00 O ATOM 929 ND2 ASN A 93 -100.941-115.887 1.431 1.00 0.00 N ATOM 0 H ASN A 93 -103.713-113.400 3.346 1.00 0.00 H new ATOM 0 HA ASN A 93 -103.090-112.108 0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -101.610-113.854 0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -100.988-112.729 1.314 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -100.601-116.678 1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -101.042-115.972 0.420 1.00 0.00 H new ATOM 936 N ILE A 94 -105.048-113.634 -0.043 1.00 0.00 N ATOM 937 CA ILE A 94 -106.285-114.348 -0.321 1.00 0.00 C ATOM 938 C ILE A 94 -106.474-114.509 -1.815 1.00 0.00 C ATOM 939 O ILE A 94 -106.342-113.562 -2.596 1.00 0.00 O ATOM 940 CB ILE A 94 -107.475-113.644 0.397 1.00 0.00 C ATOM 941 CG1 ILE A 94 -108.859-113.660 -0.289 1.00 0.00 C ATOM 942 CG2 ILE A 94 -107.176-112.152 0.667 1.00 0.00 C ATOM 943 CD1 ILE A 94 -109.579-114.990 -0.531 1.00 0.00 C ATOM 0 H ILE A 94 -104.838-112.886 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.238-115.359 0.084 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.550-114.261 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -109.524-113.036 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -108.747-113.172 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -108.029-111.695 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -106.294-112.067 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -106.994-111.640 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -110.534-114.803 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -108.963-115.627 -1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -109.753-115.489 0.423 1.00 0.00 H new ATOM 955 N TYR A 95 -106.858-115.754 -2.234 1.00 0.00 N ATOM 956 CA TYR A 95 -107.226-116.097 -3.598 1.00 0.00 C ATOM 957 C TYR A 95 -108.556-116.890 -3.609 1.00 0.00 C ATOM 958 O TYR A 95 -108.916-117.599 -2.660 1.00 0.00 O ATOM 959 CB TYR A 95 -106.042-116.727 -4.400 1.00 0.00 C ATOM 960 CG TYR A 95 -105.787-118.160 -4.036 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.507-119.137 -4.693 1.00 0.00 C ATOM 962 CD2 TYR A 95 -104.982-118.510 -2.973 1.00 0.00 C ATOM 963 CE1 TYR A 95 -106.498-120.436 -4.250 1.00 0.00 C ATOM 964 CE2 TYR A 95 -104.898-119.831 -2.582 1.00 0.00 C ATOM 965 CZ TYR A 95 -105.660-120.797 -3.209 1.00 0.00 C ATOM 966 OH TYR A 95 -105.530-122.124 -2.746 1.00 0.00 O ATOM 0 H TYR A 95 -106.913-116.549 -1.597 1.00 0.00 H new ATOM 0 HA TYR A 95 -107.430-115.185 -4.159 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -106.257-116.661 -5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -105.138-116.145 -4.220 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -107.085-118.876 -5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -104.419-117.753 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -107.141-121.172 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -104.231-120.111 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 95 -104.886-122.151 -2.008 1.00 0.00 H new ATOM 976 N THR A 96 -109.328-116.750 -4.709 1.00 0.00 N ATOM 977 CA THR A 96 -110.568-117.458 -5.035 1.00 0.00 C ATOM 978 C THR A 96 -110.467-117.715 -6.539 1.00 0.00 C ATOM 979 O THR A 96 -109.724-116.962 -7.177 1.00 0.00 O ATOM 980 CB THR A 96 -111.830-116.742 -4.490 1.00 0.00 C ATOM 981 OG1 THR A 96 -113.096-117.214 -4.950 1.00 0.00 O ATOM 982 CG2 THR A 96 -111.832-115.227 -4.690 1.00 0.00 C ATOM 0 H THR A 96 -109.074-116.087 -5.442 1.00 0.00 H new ATOM 0 HA THR A 96 -110.689-118.416 -4.530 1.00 0.00 H new ATOM 0 HB THR A 96 -111.733-117.002 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 96 -113.504-117.779 -4.261 1.00 0.00 H new ATOM 0 HG21 THR A 96 -112.750-114.807 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 96 -110.974-114.791 -4.178 1.00 0.00 H new ATOM 0 HG23 THR A 96 -111.773-115.000 -5.755 1.00 0.00 H new ATOM 990 N PRO A 97 -111.074-118.727 -7.214 1.00 0.00 N ATOM 991 CA PRO A 97 -111.012-118.873 -8.680 1.00 0.00 C ATOM 992 C PRO A 97 -111.927-117.826 -9.364 1.00 0.00 C ATOM 993 O PRO A 97 -113.091-117.724 -8.988 1.00 0.00 O ATOM 994 CB PRO A 97 -111.470-120.335 -8.893 1.00 0.00 C ATOM 995 CG PRO A 97 -112.421-120.627 -7.725 1.00 0.00 C ATOM 996 CD PRO A 97 -111.813-119.817 -6.575 1.00 0.00 C ATOM 0 HA PRO A 97 -110.031-118.693 -9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -111.974-120.455 -9.852 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -110.621-121.019 -8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -113.441-120.311 -7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -112.460-121.691 -7.493 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -112.589-119.431 -5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -111.153-120.435 -5.966 1.00 0.00 H new ATOM 1004 N TYR A 98 -111.361-117.022 -10.314 1.00 0.00 N ATOM 1005 CA TYR A 98 -111.780-115.872 -11.153 1.00 0.00 C ATOM 1006 C TYR A 98 -112.994-114.986 -10.814 1.00 0.00 C ATOM 1007 O TYR A 98 -113.547-114.259 -11.639 1.00 0.00 O ATOM 1008 CB TYR A 98 -111.685-116.182 -12.678 1.00 0.00 C ATOM 1009 CG TYR A 98 -110.971-115.077 -13.441 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -109.592-114.971 -13.401 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -111.673-114.130 -14.165 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -108.929-113.992 -14.109 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -111.017-113.116 -14.841 1.00 0.00 C ATOM 1014 CZ TYR A 98 -109.638-113.066 -14.837 1.00 0.00 C ATOM 1015 OH TYR A 98 -108.921-112.082 -15.548 1.00 0.00 O ATOM 0 H TYR A 98 -110.389-117.223 -10.547 1.00 0.00 H new ATOM 0 HA TYR A 98 -111.008-115.179 -10.818 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -111.156-117.124 -12.824 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -112.688-116.313 -13.084 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -109.024-115.669 -12.803 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -112.751-114.183 -14.203 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -107.850-113.952 -14.092 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -111.584-112.365 -15.371 1.00 0.00 H new ATOM 0 HH TYR A 98 -109.549-111.495 -16.018 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.399-115.022 -9.535 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.425-114.224 -8.891 1.00 0.00 C ATOM 1027 C ASP A 99 -113.776-113.150 -8.024 1.00 0.00 C ATOM 1028 O ASP A 99 -112.686-113.314 -7.470 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.396-115.082 -8.037 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.156-116.071 -8.924 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -116.859-115.607 -9.861 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.053-117.301 -8.669 1.00 0.00 O ATOM 0 H ASP A 99 -112.971-115.672 -8.876 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.017-113.758 -9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.837-115.624 -7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -116.101-114.434 -7.516 1.00 0.00 H new ATOM 1037 N ASP A 100 -114.460-112.002 -7.854 1.00 0.00 N ATOM 1038 CA ASP A 100 -114.019-110.885 -7.029 1.00 0.00 C ATOM 1039 C ASP A 100 -114.936-110.822 -5.819 1.00 0.00 C ATOM 1040 O ASP A 100 -115.671-109.863 -5.608 1.00 0.00 O ATOM 1041 CB ASP A 100 -113.973-109.544 -7.829 1.00 0.00 C ATOM 1042 CG ASP A 100 -113.187-108.446 -7.094 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -111.989-108.683 -6.787 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -113.778-107.366 -6.831 1.00 0.00 O ATOM 0 H ASP A 100 -115.359-111.832 -8.304 1.00 0.00 H new ATOM 0 HA ASP A 100 -112.992-111.041 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -113.518-109.722 -8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -114.991-109.198 -8.011 1.00 0.00 H new ATOM 1049 N ARG A 101 -114.878-111.898 -4.981 1.00 0.00 N ATOM 1050 CA ARG A 101 -115.621-112.104 -3.741 1.00 0.00 C ATOM 1051 C ARG A 101 -115.032-111.281 -2.600 1.00 0.00 C ATOM 1052 O ARG A 101 -115.703-110.526 -1.908 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.522-113.619 -3.376 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.108-114.611 -4.408 1.00 0.00 C ATOM 1055 CD ARG A 101 -117.625-114.516 -4.657 1.00 0.00 C ATOM 1056 NE ARG A 101 -117.919-113.368 -5.588 1.00 0.00 N ATOM 1057 CZ ARG A 101 -119.082-112.644 -5.572 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -120.085-112.941 -4.695 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -119.231-111.604 -6.443 1.00 0.00 N ATOM 0 H ARG A 101 -114.264-112.687 -5.185 1.00 0.00 H new ATOM 0 HA ARG A 101 -116.655-111.792 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -114.472-113.866 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.029-113.776 -2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -115.595-114.460 -5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -115.878-115.624 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -117.991-115.448 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -118.150-114.373 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 101 -117.207-113.114 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -119.975-113.713 -4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -120.944-112.391 -4.697 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -118.482-111.374 -7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -120.092-111.057 -6.442 1.00 0.00 H new ATOM 1073 N ILE A 102 -113.705-111.407 -2.451 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.791-110.734 -1.573 1.00 0.00 C ATOM 1075 C ILE A 102 -112.432-109.326 -2.050 1.00 0.00 C ATOM 1076 O ILE A 102 -112.153-109.049 -3.217 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.638-111.694 -1.397 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -111.258-112.499 -2.687 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -112.200-112.661 -0.329 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -110.990-111.755 -4.006 1.00 0.00 C ATOM 0 H ILE A 102 -113.201-112.078 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.227-110.512 -0.599 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.718-111.170 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -110.365-113.080 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -112.062-113.211 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -111.455-113.424 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -112.438-112.104 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -113.103-113.138 -0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -110.742-112.475 -4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -111.880-111.197 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -110.157-111.065 -3.872 1.00 0.00 H new ATOM 1092 N ASP A 103 -112.528-108.371 -1.107 1.00 0.00 N ATOM 1093 CA ASP A 103 -112.509-106.922 -1.413 1.00 0.00 C ATOM 1094 C ASP A 103 -111.627-106.084 -0.494 1.00 0.00 C ATOM 1095 O ASP A 103 -110.870-106.586 0.337 1.00 0.00 O ATOM 1096 CB ASP A 103 -113.939-106.278 -1.468 1.00 0.00 C ATOM 1097 CG ASP A 103 -114.879-107.023 -2.427 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -114.566-107.070 -3.647 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -115.925-107.538 -1.950 1.00 0.00 O ATOM 0 H ASP A 103 -112.621-108.578 -0.112 1.00 0.00 H new ATOM 0 HA ASP A 103 -112.065-106.898 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -114.372-106.275 -0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -113.854-105.238 -1.782 1.00 0.00 H new ATOM 1104 N LYS A 104 -111.749-104.736 -0.669 1.00 0.00 N ATOM 1105 CA LYS A 104 -111.229-103.635 0.126 1.00 0.00 C ATOM 1106 C LYS A 104 -112.381-103.211 1.024 1.00 0.00 C ATOM 1107 O LYS A 104 -113.501-103.024 0.557 1.00 0.00 O ATOM 1108 CB LYS A 104 -110.754-102.422 -0.724 1.00 0.00 C ATOM 1109 CG LYS A 104 -111.593-102.128 -1.982 1.00 0.00 C ATOM 1110 CD LYS A 104 -111.054-100.913 -2.753 1.00 0.00 C ATOM 1111 CE LYS A 104 -111.742-100.689 -4.107 1.00 0.00 C ATOM 1112 NZ LYS A 104 -113.185-100.398 -3.940 1.00 0.00 N ATOM 0 H LYS A 104 -112.277-104.379 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 104 -110.346-103.964 0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -110.755-101.534 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -109.722-102.595 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -111.591-103.002 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -112.629-101.947 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -111.178-100.020 -2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -109.984-101.042 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -111.261 -99.862 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -111.618-101.574 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -113.620-100.252 -4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -113.648-101.199 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -113.302 -99.539 -3.365 1.00 0.00 H new ATOM 1126 N LYS A 105 -112.109-103.121 2.356 1.00 0.00 N ATOM 1127 CA LYS A 105 -113.030-102.862 3.473 1.00 0.00 C ATOM 1128 C LYS A 105 -113.770-104.153 3.820 1.00 0.00 C ATOM 1129 O LYS A 105 -115.005-104.221 3.821 1.00 0.00 O ATOM 1130 CB LYS A 105 -113.983-101.640 3.310 1.00 0.00 C ATOM 1131 CG LYS A 105 -113.267-100.306 3.036 1.00 0.00 C ATOM 1132 CD LYS A 105 -114.235 -99.113 2.909 1.00 0.00 C ATOM 1133 CE LYS A 105 -114.803 -98.582 4.236 1.00 0.00 C ATOM 1134 NZ LYS A 105 -113.740 -98.005 5.094 1.00 0.00 N ATOM 0 H LYS A 105 -111.154-103.240 2.693 1.00 0.00 H new ATOM 0 HA LYS A 105 -112.410-102.550 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -114.675-101.841 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -114.581-101.538 4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.560-100.108 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -112.687-100.394 2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -113.717 -98.298 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -115.067 -99.408 2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -115.558 -97.823 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -115.302 -99.392 4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -114.174 -97.508 5.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -113.128 -98.767 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -113.171 -97.334 4.539 1.00 0.00 H new ATOM 1148 N MET A 106 -112.980-105.236 4.074 1.00 0.00 N ATOM 1149 CA MET A 106 -113.473-106.583 4.247 1.00 0.00 C ATOM 1150 C MET A 106 -113.040-107.212 5.561 1.00 0.00 C ATOM 1151 O MET A 106 -111.965-106.975 6.127 1.00 0.00 O ATOM 1152 CB MET A 106 -113.033-107.455 3.032 1.00 0.00 C ATOM 1153 CG MET A 106 -114.062-108.509 2.580 1.00 0.00 C ATOM 1154 SD MET A 106 -115.404-107.754 1.615 1.00 0.00 S ATOM 1155 CE MET A 106 -116.371-109.242 1.270 1.00 0.00 C ATOM 0 H MET A 106 -111.966-105.167 4.161 1.00 0.00 H new ATOM 0 HA MET A 106 -114.561-106.534 4.288 1.00 0.00 H new ATOM 0 HB2 MET A 106 -112.817-106.796 2.191 1.00 0.00 H new ATOM 0 HB3 MET A 106 -112.103-107.963 3.287 1.00 0.00 H new ATOM 0 HG2 MET A 106 -113.565-109.271 1.980 1.00 0.00 H new ATOM 0 HG3 MET A 106 -114.478-109.012 3.453 1.00 0.00 H new ATOM 0 HE1 MET A 106 -117.085-109.035 0.473 1.00 0.00 H new ATOM 0 HE2 MET A 106 -115.704-110.046 0.959 1.00 0.00 H new ATOM 0 HE3 MET A 106 -116.908-109.544 2.169 1.00 0.00 H new ATOM 1165 N ARG A 107 -113.933-108.100 6.036 1.00 0.00 N ATOM 1166 CA ARG A 107 -113.841-108.908 7.224 1.00 0.00 C ATOM 1167 C ARG A 107 -114.324-110.255 6.743 1.00 0.00 C ATOM 1168 O ARG A 107 -115.395-110.354 6.146 1.00 0.00 O ATOM 1169 CB ARG A 107 -114.767-108.311 8.319 1.00 0.00 C ATOM 1170 CG ARG A 107 -114.973-109.175 9.575 1.00 0.00 C ATOM 1171 CD ARG A 107 -115.564-108.394 10.760 1.00 0.00 C ATOM 1172 NE ARG A 107 -114.523-107.434 11.270 1.00 0.00 N ATOM 1173 CZ ARG A 107 -114.788-106.465 12.200 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -116.045-106.302 12.704 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -113.780-105.645 12.619 1.00 0.00 N ATOM 0 H ARG A 107 -114.808-108.271 5.540 1.00 0.00 H new ATOM 0 HA ARG A 107 -112.847-108.962 7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -114.358-107.349 8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -115.742-108.114 7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -115.634-110.007 9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -114.017-109.605 9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -116.457-107.853 10.448 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -115.867-109.080 11.552 1.00 0.00 H new ATOM 0 HE ARG A 107 -113.574-107.509 10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -116.803-106.907 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -116.227-105.575 13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -112.840-105.757 12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -113.967-104.920 13.312 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.569-111.350 6.928 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.035-112.645 6.459 1.00 0.00 C ATOM 1191 C VAL A 108 -113.899-113.576 7.634 1.00 0.00 C ATOM 1192 O VAL A 108 -112.928-113.544 8.400 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.347-113.137 5.175 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -113.816-114.549 4.765 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.679-112.194 3.995 1.00 0.00 C ATOM 0 H VAL A 108 -112.658-111.357 7.388 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.074-112.587 6.135 1.00 0.00 H new ATOM 0 HB VAL A 108 -112.278-113.153 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -113.302-114.853 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -113.586-115.255 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -114.892-114.538 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -113.186-112.554 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -114.757-112.175 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -113.328-111.188 4.224 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.925-114.466 7.781 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.945-115.507 8.762 1.00 0.00 C ATOM 1207 C ILE A 109 -114.514-116.738 7.987 1.00 0.00 C ATOM 1208 O ILE A 109 -115.298-117.378 7.269 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.366-115.697 9.320 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -116.955-114.350 9.815 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.343-116.772 10.438 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.445-114.428 10.155 1.00 0.00 C ATOM 0 H ILE A 109 -115.759-114.449 7.193 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.303-115.295 9.617 1.00 0.00 H new ATOM 0 HB ILE A 109 -117.023-116.048 8.524 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.405-114.024 10.698 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -116.804-113.592 9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.350-116.907 10.834 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -115.985-117.716 10.028 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.678-116.449 11.239 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -118.792-113.452 10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -119.005-114.724 9.268 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.600-115.163 10.945 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.235-117.087 8.256 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.493-118.225 7.800 1.00 0.00 C ATOM 1226 C TYR A 110 -112.525-119.339 8.852 1.00 0.00 C ATOM 1227 O TYR A 110 -111.726-119.340 9.784 1.00 0.00 O ATOM 1228 CB TYR A 110 -111.058-117.699 7.531 1.00 0.00 C ATOM 1229 CG TYR A 110 -110.259-118.609 6.662 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -110.748-119.008 5.434 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -108.976-118.948 7.027 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.974-119.779 4.599 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -108.170-119.653 6.158 1.00 0.00 C ATOM 1234 CZ TYR A 110 -108.680-120.104 4.947 1.00 0.00 C ATOM 1235 OH TYR A 110 -107.930-120.841 4.004 1.00 0.00 O ATOM 0 H TYR A 110 -112.662-116.500 8.863 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.913-118.667 6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -111.119-116.717 7.061 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.541-117.566 8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -111.741-118.714 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -108.599-118.661 7.997 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -110.383-120.133 3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -107.142-119.855 6.419 1.00 0.00 H new ATOM 0 HH TYR A 110 -107.033-121.010 4.360 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.497-120.294 8.738 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.742-121.466 9.595 1.00 0.00 C ATOM 1247 C ARG A 111 -113.865-121.208 11.113 1.00 0.00 C ATOM 1248 O ARG A 111 -113.318-121.908 11.964 1.00 0.00 O ATOM 1249 CB ARG A 111 -112.786-122.635 9.221 1.00 0.00 C ATOM 1250 CG ARG A 111 -113.321-124.041 9.561 1.00 0.00 C ATOM 1251 CD ARG A 111 -112.468-125.183 8.979 1.00 0.00 C ATOM 1252 NE ARG A 111 -112.596-125.178 7.476 1.00 0.00 N ATOM 1253 CZ ARG A 111 -111.925-126.053 6.664 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -111.057-126.969 7.185 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -112.130-126.012 5.314 1.00 0.00 N ATOM 0 H ARG A 111 -114.177-120.248 7.979 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.761-121.774 9.362 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -112.579-122.589 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -111.837-122.488 9.736 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -113.369-124.150 10.644 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -114.340-124.133 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -111.424-125.058 9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -112.797-126.141 9.381 1.00 0.00 H new ATOM 0 HE ARG A 111 -113.212-124.490 7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -110.901-127.008 8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -110.565-127.614 6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -112.779-125.333 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -111.634-126.661 4.703 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.607-120.119 11.449 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.813-119.593 12.798 1.00 0.00 C ATOM 1271 C GLY A 112 -113.853-118.515 13.257 1.00 0.00 C ATOM 1272 O GLY A 112 -114.052-117.954 14.330 1.00 0.00 O ATOM 0 H GLY A 112 -115.095-119.568 10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.826-119.196 12.858 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -114.754-120.424 13.501 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.788-118.180 12.480 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.821-117.141 12.831 1.00 0.00 C ATOM 1278 C LYS A 113 -112.222-115.816 12.189 1.00 0.00 C ATOM 1279 O LYS A 113 -112.431-115.752 10.975 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.380-117.541 12.394 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.859-118.852 13.023 1.00 0.00 C ATOM 1282 CD LYS A 113 -109.791-118.856 14.565 1.00 0.00 C ATOM 1283 CE LYS A 113 -108.909-117.761 15.191 1.00 0.00 C ATOM 1284 NZ LYS A 113 -107.503-117.865 14.734 1.00 0.00 N ATOM 0 H LYS A 113 -112.588-118.635 11.589 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.822-117.027 13.915 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.358-117.640 11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -109.698-116.732 12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -110.501-119.672 12.701 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -108.863-119.054 12.630 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -110.803-118.751 14.956 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -109.421-119.828 14.893 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -109.306-116.780 14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -108.946-117.840 16.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -106.938-117.112 15.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -107.117-118.792 15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -107.466-117.764 13.700 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.341-114.717 13.000 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.734-113.383 12.528 1.00 0.00 C ATOM 1300 C ILE A 114 -111.477-112.557 12.240 1.00 0.00 C ATOM 1301 O ILE A 114 -110.778-112.122 13.158 1.00 0.00 O ATOM 1302 CB ILE A 114 -113.654-112.632 13.509 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -114.682-113.545 14.236 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -114.369-111.483 12.755 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -115.688-114.271 13.339 1.00 0.00 C ATOM 0 H ILE A 114 -112.162-114.752 14.004 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.315-113.523 11.617 1.00 0.00 H new ATOM 0 HB ILE A 114 -113.021-112.231 14.300 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -114.133-114.291 14.810 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -115.236-112.937 14.951 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -115.022-110.947 13.444 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -113.626-110.796 12.350 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -114.963-111.897 11.940 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -116.353-114.877 13.954 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -116.274-113.539 12.783 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -115.154-114.915 12.640 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.161-112.335 10.929 1.00 0.00 N ATOM 1318 CA VAL A 115 -109.971-111.626 10.447 1.00 0.00 C ATOM 1319 C VAL A 115 -110.330-110.427 9.546 1.00 0.00 C ATOM 1320 O VAL A 115 -111.332-110.447 8.833 1.00 0.00 O ATOM 1321 CB VAL A 115 -108.962-112.560 9.745 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -107.545-112.175 10.237 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -109.255-114.067 9.997 1.00 0.00 C ATOM 0 H VAL A 115 -111.757-112.661 10.168 1.00 0.00 H new ATOM 0 HA VAL A 115 -109.481-111.236 11.339 1.00 0.00 H new ATOM 0 HB VAL A 115 -109.046-112.427 8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -106.806-112.818 9.758 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -107.341-111.135 9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -107.489-112.300 11.318 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.513-114.674 9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -109.209-114.273 11.066 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -110.249-114.312 9.623 1.00 0.00 H new ATOM 1333 N THR A 116 -109.486-109.353 9.580 1.00 0.00 N ATOM 1334 CA THR A 116 -109.615-108.056 8.898 1.00 0.00 C ATOM 1335 C THR A 116 -108.590-107.782 7.787 1.00 0.00 C ATOM 1336 O THR A 116 -107.402-108.079 7.931 1.00 0.00 O ATOM 1337 CB THR A 116 -109.439-106.923 9.923 1.00 0.00 C ATOM 1338 OG1 THR A 116 -108.244-107.085 10.697 1.00 0.00 O ATOM 1339 CG2 THR A 116 -110.642-106.940 10.887 1.00 0.00 C ATOM 0 H THR A 116 -108.631-109.390 10.135 1.00 0.00 H new ATOM 0 HA THR A 116 -110.602-108.094 8.436 1.00 0.00 H new ATOM 0 HB THR A 116 -109.373-105.982 9.377 1.00 0.00 H new ATOM 0 HG1 THR A 116 -108.165-106.346 11.336 1.00 0.00 H new ATOM 0 HG21 THR A 116 -110.532-106.141 11.621 1.00 0.00 H new ATOM 0 HG22 THR A 116 -111.562-106.790 10.323 1.00 0.00 H new ATOM 0 HG23 THR A 116 -110.684-107.901 11.400 1.00 0.00 H new ATOM 1347 N PHE A 117 -109.035-107.120 6.676 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.189-106.704 5.562 1.00 0.00 C ATOM 1349 C PHE A 117 -108.751-105.523 4.745 1.00 0.00 C ATOM 1350 O PHE A 117 -109.960-105.283 4.702 1.00 0.00 O ATOM 1351 CB PHE A 117 -107.818-107.897 4.622 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.941-108.630 3.909 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -109.798-109.487 4.581 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -109.044-108.555 2.527 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.660-110.301 3.889 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -109.942-109.340 1.829 1.00 0.00 C ATOM 1357 CZ PHE A 117 -110.735-110.240 2.513 1.00 0.00 C ATOM 0 H PHE A 117 -110.014-106.866 6.548 1.00 0.00 H new ATOM 0 HA PHE A 117 -107.278-106.340 6.036 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -107.132-107.521 3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.268-108.628 5.214 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -109.788-109.515 5.661 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -108.409-107.869 1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.286-110.997 4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -110.023-109.250 0.756 1.00 0.00 H new ATOM 0 HZ PHE A 117 -111.408-110.891 1.975 1.00 0.00 H new ATOM 1367 N ILE A 118 -107.844-104.786 4.030 1.00 0.00 N ATOM 1368 CA ILE A 118 -108.166-103.684 3.116 1.00 0.00 C ATOM 1369 C ILE A 118 -107.225-103.816 1.915 1.00 0.00 C ATOM 1370 O ILE A 118 -106.042-103.511 2.020 1.00 0.00 O ATOM 1371 CB ILE A 118 -108.076-102.275 3.749 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -106.829-102.039 4.650 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -109.388-102.008 4.521 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -106.694-100.582 5.118 1.00 0.00 C ATOM 0 H ILE A 118 -106.841-104.963 4.089 1.00 0.00 H new ATOM 0 HA ILE A 118 -109.213-103.770 2.825 1.00 0.00 H new ATOM 0 HB ILE A 118 -107.947-101.562 2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -106.889-102.691 5.522 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -105.932-102.323 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -109.347-101.019 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -110.232-102.056 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -109.512-102.761 5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -105.806-100.481 5.742 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -106.604 -99.928 4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -107.576-100.302 5.694 1.00 0.00 H new ATOM 1386 N GLY A 119 -107.675-104.330 0.740 1.00 0.00 N ATOM 1387 CA GLY A 119 -106.757-104.612 -0.376 1.00 0.00 C ATOM 1388 C GLY A 119 -107.345-104.427 -1.731 1.00 0.00 C ATOM 1389 O GLY A 119 -108.556-104.425 -1.895 1.00 0.00 O ATOM 0 H GLY A 119 -108.652-104.552 0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -105.885-103.965 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.403-105.639 -0.286 1.00 0.00 H new ATOM 1393 N ASP A 120 -106.484-104.290 -2.771 1.00 0.00 N ATOM 1394 CA ASP A 120 -106.844-104.106 -4.187 1.00 0.00 C ATOM 1395 C ASP A 120 -106.556-105.390 -4.982 1.00 0.00 C ATOM 1396 O ASP A 120 -105.536-106.023 -4.703 1.00 0.00 O ATOM 1397 CB ASP A 120 -106.053-102.934 -4.835 1.00 0.00 C ATOM 1398 CG ASP A 120 -106.414-101.621 -4.135 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -107.603-101.211 -4.225 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -105.508-101.012 -3.505 1.00 0.00 O ATOM 0 H ASP A 120 -105.474-104.307 -2.631 1.00 0.00 H new ATOM 0 HA ASP A 120 -107.908-103.872 -4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -104.981-103.117 -4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -106.287-102.868 -5.897 1.00 0.00 H new ATOM 1405 N PRO A 121 -107.395-105.874 -5.936 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.227-107.179 -6.592 1.00 0.00 C ATOM 1407 C PRO A 121 -106.291-107.196 -7.815 1.00 0.00 C ATOM 1408 O PRO A 121 -106.128-106.193 -8.510 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.678-107.542 -6.976 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.369-106.203 -7.249 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.678-105.251 -6.270 1.00 0.00 C ATOM 0 HA PRO A 121 -106.732-107.890 -5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.703-108.185 -7.856 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -109.174-108.084 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -109.237-105.884 -8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.442-106.259 -7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -108.529-104.269 -6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -109.284-105.103 -5.376 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.703-108.396 -8.101 1.00 0.00 N ATOM 1420 CA VAL A 122 -104.818-108.731 -9.224 1.00 0.00 C ATOM 1421 C VAL A 122 -105.327-110.020 -9.901 1.00 0.00 C ATOM 1422 O VAL A 122 -105.718-110.972 -9.214 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.352-108.951 -8.784 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -102.399-109.072 -10.003 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -102.878-107.773 -7.907 1.00 0.00 C ATOM 0 H VAL A 122 -105.857-109.204 -7.498 1.00 0.00 H new ATOM 0 HA VAL A 122 -104.835-107.886 -9.912 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.322-109.883 -8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -101.378-109.226 -9.653 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -102.703-109.918 -10.620 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -102.446-108.157 -10.594 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -101.844-107.939 -7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -102.945-106.846 -8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.510-107.701 -7.022 1.00 0.00 H new ATOM 1435 N ASP A 123 -105.290-110.071 -11.268 1.00 0.00 N ATOM 1436 CA ASP A 123 -105.621-111.237 -12.096 1.00 0.00 C ATOM 1437 C ASP A 123 -104.336-111.915 -12.576 1.00 0.00 C ATOM 1438 O ASP A 123 -103.447-111.268 -13.127 1.00 0.00 O ATOM 1439 CB ASP A 123 -106.595-110.922 -13.279 1.00 0.00 C ATOM 1440 CG ASP A 123 -106.125-109.808 -14.230 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -106.079-108.626 -13.797 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -105.816-110.135 -15.407 1.00 0.00 O ATOM 0 H ASP A 123 -105.017-109.263 -11.827 1.00 0.00 H new ATOM 0 HA ASP A 123 -106.176-111.929 -11.462 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -106.746-111.833 -13.858 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -107.564-110.642 -12.867 1.00 0.00 H new ATOM 1520 N GLU A 129 -108.914-118.065 -14.728 1.00 0.00 N ATOM 1521 CA GLU A 129 -108.060-118.795 -13.798 1.00 0.00 C ATOM 1522 C GLU A 129 -108.260-118.320 -12.366 1.00 0.00 C ATOM 1523 O GLU A 129 -109.311-118.518 -11.761 1.00 0.00 O ATOM 1524 CB GLU A 129 -106.562-118.706 -14.223 1.00 0.00 C ATOM 1525 CG GLU A 129 -106.282-119.285 -15.624 1.00 0.00 C ATOM 1526 CD GLU A 129 -106.639-120.770 -15.683 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -106.002-121.562 -14.938 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -107.551-121.131 -16.474 1.00 0.00 O ATOM 0 HA GLU A 129 -108.354-119.844 -13.835 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -106.248-117.662 -14.201 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -105.953-119.237 -13.491 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -106.859-118.738 -16.370 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -105.230-119.150 -15.874 1.00 0.00 H new ATOM 1535 N ILE A 130 -107.233-117.665 -11.767 1.00 0.00 N ATOM 1536 CA ILE A 130 -107.247-117.199 -10.381 1.00 0.00 C ATOM 1537 C ILE A 130 -107.277-115.683 -10.308 1.00 0.00 C ATOM 1538 O ILE A 130 -106.537-114.982 -11.014 1.00 0.00 O ATOM 1539 CB ILE A 130 -106.061-117.790 -9.582 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -106.331-119.299 -9.335 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -105.785-117.062 -8.238 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -105.203-120.041 -8.611 1.00 0.00 C ATOM 0 H ILE A 130 -106.363-117.448 -12.253 1.00 0.00 H new ATOM 0 HA ILE A 130 -108.164-117.560 -9.916 1.00 0.00 H new ATOM 0 HB ILE A 130 -105.162-117.647 -10.181 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -107.246-119.400 -8.752 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -106.509-119.784 -10.295 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -104.940-117.533 -7.736 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -105.554-116.015 -8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -106.667-117.127 -7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -105.480-121.087 -8.482 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -104.288-119.977 -9.201 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -105.037-119.587 -7.634 1.00 0.00 H new ATOM 1554 N THR A 131 -108.121-115.191 -9.348 1.00 0.00 N ATOM 1555 CA THR A 131 -108.223-113.824 -8.840 1.00 0.00 C ATOM 1556 C THR A 131 -107.682-113.871 -7.411 1.00 0.00 C ATOM 1557 O THR A 131 -108.079-114.667 -6.550 1.00 0.00 O ATOM 1558 CB THR A 131 -109.624-113.213 -8.823 1.00 0.00 C ATOM 1559 OG1 THR A 131 -110.588-114.228 -8.616 1.00 0.00 O ATOM 1560 CG2 THR A 131 -109.911-112.531 -10.172 1.00 0.00 C ATOM 0 H THR A 131 -108.792-115.806 -8.887 1.00 0.00 H new ATOM 0 HA THR A 131 -107.663-113.181 -9.519 1.00 0.00 H new ATOM 0 HB THR A 131 -109.677-112.481 -8.017 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.463-113.819 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 131 -110.911-112.097 -10.155 1.00 0.00 H new ATOM 0 HG22 THR A 131 -109.177-111.744 -10.345 1.00 0.00 H new ATOM 0 HG23 THR A 131 -109.849-113.268 -10.973 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.706-112.967 -7.164 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.964-112.801 -5.937 1.00 0.00 C ATOM 1570 C ARG A 132 -106.105-111.375 -5.468 1.00 0.00 C ATOM 1571 O ARG A 132 -106.022-110.431 -6.260 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.465-113.154 -6.131 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.612-113.084 -4.851 1.00 0.00 C ATOM 1574 CD ARG A 132 -102.226-113.723 -5.016 1.00 0.00 C ATOM 1575 NE ARG A 132 -101.488-113.640 -3.703 1.00 0.00 N ATOM 1576 CZ ARG A 132 -100.782-112.540 -3.293 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -100.658-111.443 -4.096 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -100.195-112.543 -2.061 1.00 0.00 N ATOM 0 H ARG A 132 -106.412-112.300 -7.878 1.00 0.00 H new ATOM 0 HA ARG A 132 -106.368-113.482 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -104.394-114.161 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -104.040-112.476 -6.871 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -103.492-112.041 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -104.142-113.584 -4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -102.325-114.763 -5.327 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -101.665-113.209 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 132 -101.516-114.450 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -101.095-111.434 -5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -100.129-110.633 -3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -100.284-113.359 -1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -99.667-111.729 -1.746 1.00 0.00 H new ATOM 1592 N ILE A 133 -106.290-111.188 -4.144 1.00 0.00 N ATOM 1593 CA ILE A 133 -106.326-109.885 -3.523 1.00 0.00 C ATOM 1594 C ILE A 133 -105.345-109.940 -2.380 1.00 0.00 C ATOM 1595 O ILE A 133 -105.194-110.954 -1.694 1.00 0.00 O ATOM 1596 CB ILE A 133 -107.746-109.463 -3.181 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -107.856-107.983 -2.803 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -108.388-110.319 -2.095 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -109.297-107.493 -2.906 1.00 0.00 C ATOM 0 H ILE A 133 -106.418-111.957 -3.486 1.00 0.00 H new ATOM 0 HA ILE A 133 -106.013-109.084 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 133 -108.301-109.623 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -107.491-107.837 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -107.219-107.389 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -109.400-109.962 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -108.426-111.357 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -107.798-110.250 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -109.343-106.439 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -109.651-107.618 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -109.927-108.072 -2.231 1.00 0.00 H new