USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 670 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 37 ASN :FLIP amide:sc= -3.35! C(o=-6.2!,f=-4.6!) USER MOD Set 1.2: A 74 SER OG : rot 180:sc= -1.23 USER MOD Single : A 16 THR OG1 : rot -33:sc= 0.6 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.0045) USER MOD Single : A 24 ASN : amide:sc= 0.538 K(o=0.54,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.77 X(o=-1.8,f=-1.6) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 144:sc= -1.66 (180deg=-3.59!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0452 USER MOD Single : A 53 TYR OH : rot -49:sc= -2.65! USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -0.776 (180deg=-2.81!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0302 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 60 SER OG : rot 160:sc= -0.436 USER MOD Single : A 66 GLN : amide:sc= -0.82 K(o=-0.82,f=-1.8!) USER MOD Single : A 69 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.037) USER MOD Single : A 70 THR OG1 : rot -174:sc= -2.37 USER MOD Single : A 71 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.702 USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= -0.628 (180deg=-0.779) USER MOD Single : A 92 THR OG1 : rot 54:sc= 0.555 USER MOD Single : A 93 THR OG1 : rot 160:sc= -1.22 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 100 SER OG : rot -140:sc= -0.705 USER MOD Single : A 101 SER OG : rot 90:sc= -1.7! USER MOD Single : A 103 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 16 -5.557 -24.540 -0.365 1.00 0.00 N ATOM 199 CA THR A 16 -4.688 -23.659 -1.126 1.00 0.00 C ATOM 200 C THR A 16 -5.237 -22.231 -1.119 1.00 0.00 C ATOM 201 O THR A 16 -6.431 -22.022 -0.911 1.00 0.00 O ATOM 202 CB THR A 16 -4.535 -24.244 -2.532 1.00 0.00 C ATOM 203 OG1 THR A 16 -5.869 -24.560 -2.923 1.00 0.00 O ATOM 204 CG2 THR A 16 -3.817 -25.595 -2.529 1.00 0.00 C ATOM 0 HA THR A 16 -3.698 -23.595 -0.675 1.00 0.00 H new ATOM 0 HB THR A 16 -3.985 -23.543 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.384 -24.836 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.735 -25.966 -3.551 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.820 -25.476 -2.105 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.384 -26.307 -1.929 1.00 0.00 H new ATOM 212 N PRO A 17 -4.315 -21.259 -1.355 1.00 0.00 N ATOM 213 CA PRO A 17 -4.694 -19.857 -1.377 1.00 0.00 C ATOM 214 C PRO A 17 -5.440 -19.511 -2.668 1.00 0.00 C ATOM 215 O PRO A 17 -5.216 -20.134 -3.704 1.00 0.00 O ATOM 216 CB PRO A 17 -3.389 -19.094 -1.223 1.00 0.00 C ATOM 217 CG PRO A 17 -2.287 -20.075 -1.586 1.00 0.00 C ATOM 218 CD PRO A 17 -2.892 -21.469 -1.606 1.00 0.00 C ATOM 0 HA PRO A 17 -5.389 -19.597 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.367 -18.222 -1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.267 -18.730 -0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.862 -19.829 -2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.475 -20.022 -0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.727 -21.958 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.445 -22.106 -0.843 1.00 0.00 H new ATOM 226 N PRO A 18 -6.334 -18.492 -2.560 1.00 0.00 N ATOM 227 CA PRO A 18 -7.114 -18.056 -3.706 1.00 0.00 C ATOM 228 C PRO A 18 -6.254 -17.245 -4.677 1.00 0.00 C ATOM 229 O PRO A 18 -5.340 -16.536 -4.259 1.00 0.00 O ATOM 230 CB PRO A 18 -8.263 -17.254 -3.117 1.00 0.00 C ATOM 231 CG PRO A 18 -7.831 -16.879 -1.708 1.00 0.00 C ATOM 232 CD PRO A 18 -6.625 -17.731 -1.348 1.00 0.00 C ATOM 0 HA PRO A 18 -7.491 -18.888 -4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.464 -16.364 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.181 -17.841 -3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.580 -15.820 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.643 -17.049 -1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.776 -17.113 -1.055 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.843 -18.391 -0.509 1.00 0.00 H new ATOM 240 N SER A 19 -6.579 -17.375 -5.955 1.00 0.00 N ATOM 241 CA SER A 19 -5.848 -16.663 -6.989 1.00 0.00 C ATOM 242 C SER A 19 -6.512 -15.312 -7.264 1.00 0.00 C ATOM 243 O SER A 19 -6.478 -14.817 -8.389 1.00 0.00 O ATOM 244 CB SER A 19 -5.770 -17.488 -8.276 1.00 0.00 C ATOM 245 OG SER A 19 -4.610 -18.314 -8.311 1.00 0.00 O ATOM 0 H SER A 19 -7.339 -17.963 -6.298 1.00 0.00 H new ATOM 0 HA SER A 19 -4.831 -16.495 -6.635 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.661 -18.110 -8.362 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.764 -16.818 -9.136 1.00 0.00 H new ATOM 0 HG SER A 19 -4.598 -18.826 -9.147 1.00 0.00 H new ATOM 251 N GLN A 20 -7.100 -14.755 -6.216 1.00 0.00 N ATOM 252 CA GLN A 20 -7.771 -13.471 -6.330 1.00 0.00 C ATOM 253 C GLN A 20 -6.923 -12.370 -5.690 1.00 0.00 C ATOM 254 O GLN A 20 -6.801 -12.307 -4.467 1.00 0.00 O ATOM 255 CB GLN A 20 -9.166 -13.523 -5.702 1.00 0.00 C ATOM 256 CG GLN A 20 -10.222 -13.896 -6.744 1.00 0.00 C ATOM 257 CD GLN A 20 -11.411 -14.604 -6.091 1.00 0.00 C ATOM 258 OE1 GLN A 20 -12.532 -14.123 -6.096 1.00 0.00 O ATOM 259 NE2 GLN A 20 -11.105 -15.770 -5.529 1.00 0.00 N ATOM 0 H GLN A 20 -7.126 -15.169 -5.284 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.893 -13.240 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.177 -14.251 -4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.408 -12.555 -5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.566 -12.997 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.779 -14.544 -7.500 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.146 -16.115 -5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.830 -16.319 -5.066 1.00 0.00 H new ATOM 268 N PRO A 21 -6.344 -11.507 -6.567 1.00 0.00 N ATOM 269 CA PRO A 21 -5.510 -10.412 -6.100 1.00 0.00 C ATOM 270 C PRO A 21 -6.363 -9.289 -5.506 1.00 0.00 C ATOM 271 O PRO A 21 -7.514 -9.106 -5.897 1.00 0.00 O ATOM 272 CB PRO A 21 -4.717 -9.973 -7.320 1.00 0.00 C ATOM 273 CG PRO A 21 -5.467 -10.522 -8.524 1.00 0.00 C ATOM 274 CD PRO A 21 -6.466 -11.551 -8.021 1.00 0.00 C ATOM 0 HA PRO A 21 -4.841 -10.708 -5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.643 -8.887 -7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.699 -10.360 -7.284 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.980 -9.719 -9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.773 -10.977 -9.231 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.479 -11.308 -8.341 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.239 -12.545 -8.407 1.00 0.00 H new ATOM 282 N PRO A 22 -5.748 -8.549 -4.545 1.00 0.00 N ATOM 283 CA PRO A 22 -6.438 -7.449 -3.892 1.00 0.00 C ATOM 284 C PRO A 22 -6.532 -6.234 -4.818 1.00 0.00 C ATOM 285 O PRO A 22 -5.513 -5.717 -5.275 1.00 0.00 O ATOM 286 CB PRO A 22 -5.636 -7.174 -2.631 1.00 0.00 C ATOM 287 CG PRO A 22 -4.274 -7.811 -2.856 1.00 0.00 C ATOM 288 CD PRO A 22 -4.386 -8.738 -4.056 1.00 0.00 C ATOM 0 HA PRO A 22 -7.472 -7.689 -3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.542 -6.103 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.126 -7.600 -1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.519 -7.045 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.962 -8.367 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.652 -8.485 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.207 -9.775 -3.773 1.00 0.00 H new ATOM 296 N GLY A 23 -7.763 -5.813 -5.067 1.00 0.00 N ATOM 297 CA GLY A 23 -8.003 -4.669 -5.930 1.00 0.00 C ATOM 298 C GLY A 23 -8.175 -3.390 -5.109 1.00 0.00 C ATOM 299 O GLY A 23 -7.964 -3.392 -3.897 1.00 0.00 O ATOM 0 H GLY A 23 -8.605 -6.244 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.170 -4.551 -6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.896 -4.843 -6.531 1.00 0.00 H new ATOM 303 N ASN A 24 -8.558 -2.327 -5.801 1.00 0.00 N ATOM 304 CA ASN A 24 -8.761 -1.044 -5.151 1.00 0.00 C ATOM 305 C ASN A 24 -7.531 -0.703 -4.309 1.00 0.00 C ATOM 306 O ASN A 24 -7.629 0.036 -3.330 1.00 0.00 O ATOM 307 CB ASN A 24 -9.975 -1.084 -4.221 1.00 0.00 C ATOM 308 CG ASN A 24 -10.743 0.239 -4.264 1.00 0.00 C ATOM 309 OD1 ASN A 24 -11.773 0.368 -4.905 1.00 0.00 O ATOM 310 ND2 ASN A 24 -10.186 1.212 -3.548 1.00 0.00 N ATOM 0 H ASN A 24 -8.733 -2.328 -6.806 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.925 -0.296 -5.926 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.635 -1.901 -4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.649 -1.287 -3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.623 2.133 -3.513 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.322 1.037 -3.034 1.00 0.00 H new ATOM 317 N VAL A 25 -6.400 -1.258 -4.719 1.00 0.00 N ATOM 318 CA VAL A 25 -5.151 -1.023 -4.014 1.00 0.00 C ATOM 319 C VAL A 25 -4.752 0.446 -4.169 1.00 0.00 C ATOM 320 O VAL A 25 -4.065 0.809 -5.122 1.00 0.00 O ATOM 321 CB VAL A 25 -4.077 -1.990 -4.515 1.00 0.00 C ATOM 322 CG1 VAL A 25 -2.781 -1.831 -3.717 1.00 0.00 C ATOM 323 CG2 VAL A 25 -4.576 -3.436 -4.468 1.00 0.00 C ATOM 0 H VAL A 25 -6.322 -1.870 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.272 -1.217 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.863 -1.743 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.034 -2.530 -4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.411 -0.811 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.974 -2.038 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.793 -4.103 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.832 -3.699 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.459 -3.537 -5.099 1.00 0.00 H new ATOM 333 N VAL A 26 -5.201 1.252 -3.218 1.00 0.00 N ATOM 334 CA VAL A 26 -4.900 2.673 -3.238 1.00 0.00 C ATOM 335 C VAL A 26 -3.857 2.984 -2.161 1.00 0.00 C ATOM 336 O VAL A 26 -3.697 2.221 -1.210 1.00 0.00 O ATOM 337 CB VAL A 26 -6.187 3.484 -3.074 1.00 0.00 C ATOM 338 CG1 VAL A 26 -7.200 3.129 -4.165 1.00 0.00 C ATOM 339 CG2 VAL A 26 -6.788 3.284 -1.681 1.00 0.00 C ATOM 0 H VAL A 26 -5.771 0.948 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.472 2.959 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.935 4.539 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.106 3.719 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.772 3.346 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.445 2.069 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.702 3.872 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.019 2.229 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.072 3.609 -0.926 1.00 0.00 H new ATOM 349 N TRP A 27 -3.176 4.105 -2.349 1.00 0.00 N ATOM 350 CA TRP A 27 -2.154 4.525 -1.406 1.00 0.00 C ATOM 351 C TRP A 27 -2.382 6.005 -1.089 1.00 0.00 C ATOM 352 O TRP A 27 -3.294 6.625 -1.632 1.00 0.00 O ATOM 353 CB TRP A 27 -0.753 4.240 -1.952 1.00 0.00 C ATOM 354 CG TRP A 27 -0.488 4.847 -3.331 1.00 0.00 C ATOM 355 CD1 TRP A 27 -0.839 4.359 -4.529 1.00 0.00 C ATOM 356 CD2 TRP A 27 0.204 6.083 -3.608 1.00 0.00 C ATOM 357 NE1 TRP A 27 -0.425 5.187 -5.553 1.00 0.00 N ATOM 358 CE2 TRP A 27 0.229 6.268 -4.975 1.00 0.00 C ATOM 359 CE3 TRP A 27 0.789 7.014 -2.731 1.00 0.00 C ATOM 360 CZ2 TRP A 27 0.827 7.376 -5.588 1.00 0.00 C ATOM 361 CZ3 TRP A 27 1.383 8.115 -3.360 1.00 0.00 C ATOM 362 CH2 TRP A 27 1.416 8.316 -4.734 1.00 0.00 C ATOM 0 H TRP A 27 -3.312 4.735 -3.140 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.227 3.955 -0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.015 4.625 -1.249 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.608 3.161 -2.007 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.378 3.434 -4.675 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.572 5.033 -6.551 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.781 6.890 -1.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.833 7.499 -6.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.848 8.861 -2.732 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.894 9.194 -5.142 1.00 0.00 H new ATOM 373 N ASN A 28 -1.538 6.527 -0.212 1.00 0.00 N ATOM 374 CA ASN A 28 -1.636 7.921 0.183 1.00 0.00 C ATOM 375 C ASN A 28 -0.373 8.320 0.949 1.00 0.00 C ATOM 376 O ASN A 28 0.356 7.461 1.442 1.00 0.00 O ATOM 377 CB ASN A 28 -2.838 8.150 1.102 1.00 0.00 C ATOM 378 CG ASN A 28 -4.116 8.367 0.289 1.00 0.00 C ATOM 379 OD1 ASN A 28 -4.282 9.359 -0.402 1.00 0.00 O ATOM 380 ND2 ASN A 28 -5.007 7.387 0.411 1.00 0.00 N ATOM 0 H ASN A 28 -0.782 6.009 0.237 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.753 8.520 -0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.964 7.292 1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.655 9.017 1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.893 7.438 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.804 6.584 1.007 1.00 0.00 H new ATOM 387 N ALA A 29 -0.152 9.625 1.024 1.00 0.00 N ATOM 388 CA ALA A 29 1.010 10.148 1.721 1.00 0.00 C ATOM 389 C ALA A 29 0.598 11.368 2.548 1.00 0.00 C ATOM 390 O ALA A 29 0.128 12.364 1.999 1.00 0.00 O ATOM 391 CB ALA A 29 2.109 10.475 0.708 1.00 0.00 C ATOM 0 H ALA A 29 -0.758 10.335 0.613 1.00 0.00 H new ATOM 0 HA ALA A 29 1.411 9.404 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.981 10.868 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.387 9.570 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.743 11.221 0.002 1.00 0.00 H new ATOM 397 N THR A 30 0.787 11.250 3.854 1.00 0.00 N ATOM 398 CA THR A 30 0.441 12.330 4.761 1.00 0.00 C ATOM 399 C THR A 30 1.501 12.469 5.855 1.00 0.00 C ATOM 400 O THR A 30 2.095 11.478 6.279 1.00 0.00 O ATOM 401 CB THR A 30 -0.962 12.058 5.306 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.951 12.647 6.604 1.00 0.00 O ATOM 403 CG2 THR A 30 -1.209 10.572 5.574 1.00 0.00 C ATOM 0 H THR A 30 1.176 10.422 4.306 1.00 0.00 H new ATOM 0 HA THR A 30 0.425 13.290 4.245 1.00 0.00 H new ATOM 0 HB THR A 30 -1.704 12.427 4.598 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.825 12.518 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.219 10.435 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.095 10.011 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.489 10.210 6.307 1.00 0.00 H new ATOM 411 N ASP A 31 1.708 13.707 6.281 1.00 0.00 N ATOM 412 CA ASP A 31 2.687 13.988 7.317 1.00 0.00 C ATOM 413 C ASP A 31 4.032 13.374 6.923 1.00 0.00 C ATOM 414 O ASP A 31 4.843 14.022 6.263 1.00 0.00 O ATOM 415 CB ASP A 31 2.263 13.378 8.655 1.00 0.00 C ATOM 416 CG ASP A 31 1.238 14.196 9.443 1.00 0.00 C ATOM 417 OD1 ASP A 31 0.900 15.298 8.961 1.00 0.00 O ATOM 418 OD2 ASP A 31 0.816 13.700 10.510 1.00 0.00 O ATOM 0 H ASP A 31 1.214 14.526 5.927 1.00 0.00 H new ATOM 0 HA ASP A 31 2.765 15.070 7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.850 12.386 8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.151 13.243 9.273 1.00 0.00 H new ATOM 423 N THR A 32 4.226 12.133 7.343 1.00 0.00 N ATOM 424 CA THR A 32 5.458 11.425 7.042 1.00 0.00 C ATOM 425 C THR A 32 5.231 9.913 7.094 1.00 0.00 C ATOM 426 O THR A 32 6.026 9.182 7.684 1.00 0.00 O ATOM 427 CB THR A 32 6.533 11.912 8.015 1.00 0.00 C ATOM 428 OG1 THR A 32 5.938 11.751 9.300 1.00 0.00 O ATOM 429 CG2 THR A 32 6.783 13.418 7.906 1.00 0.00 C ATOM 0 H THR A 32 3.550 11.599 7.890 1.00 0.00 H new ATOM 0 HA THR A 32 5.798 11.636 6.028 1.00 0.00 H new ATOM 0 HB THR A 32 7.463 11.375 7.826 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.569 12.042 9.991 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.555 13.711 8.618 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.111 13.660 6.895 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.862 13.957 8.127 1.00 0.00 H new ATOM 437 N LYS A 33 4.143 9.488 6.469 1.00 0.00 N ATOM 438 CA LYS A 33 3.801 8.076 6.438 1.00 0.00 C ATOM 439 C LYS A 33 3.021 7.773 5.157 1.00 0.00 C ATOM 440 O LYS A 33 2.519 8.685 4.501 1.00 0.00 O ATOM 441 CB LYS A 33 3.063 7.675 7.716 1.00 0.00 C ATOM 442 CG LYS A 33 2.613 6.213 7.654 1.00 0.00 C ATOM 443 CD LYS A 33 1.978 5.779 8.976 1.00 0.00 C ATOM 444 CE LYS A 33 3.021 5.159 9.908 1.00 0.00 C ATOM 445 NZ LYS A 33 3.501 3.869 9.363 1.00 0.00 N ATOM 0 H LYS A 33 3.487 10.097 5.980 1.00 0.00 H new ATOM 0 HA LYS A 33 4.704 7.466 6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.714 7.823 8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.196 8.320 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.897 6.083 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.468 5.575 7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.517 6.639 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.184 5.058 8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.860 5.844 10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.588 5.005 10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.513 3.757 9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.968 3.089 9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.360 3.853 8.333 1.00 0.00 H new ATOM 459 N VAL A 34 2.945 6.490 4.838 1.00 0.00 N ATOM 460 CA VAL A 34 2.235 6.055 3.647 1.00 0.00 C ATOM 461 C VAL A 34 1.080 5.138 4.053 1.00 0.00 C ATOM 462 O VAL A 34 1.296 3.978 4.400 1.00 0.00 O ATOM 463 CB VAL A 34 3.209 5.393 2.669 1.00 0.00 C ATOM 464 CG1 VAL A 34 2.456 4.683 1.542 1.00 0.00 C ATOM 465 CG2 VAL A 34 4.201 6.414 2.109 1.00 0.00 C ATOM 0 H VAL A 34 3.364 5.737 5.384 1.00 0.00 H new ATOM 0 HA VAL A 34 1.804 6.910 3.126 1.00 0.00 H new ATOM 0 HB VAL A 34 3.776 4.641 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.171 4.221 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.809 3.914 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.851 5.407 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.882 5.918 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.657 7.199 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.772 6.853 2.927 1.00 0.00 H new ATOM 475 N LEU A 35 -0.122 5.693 3.996 1.00 0.00 N ATOM 476 CA LEU A 35 -1.312 4.939 4.354 1.00 0.00 C ATOM 477 C LEU A 35 -1.802 4.159 3.133 1.00 0.00 C ATOM 478 O LEU A 35 -2.210 4.752 2.135 1.00 0.00 O ATOM 479 CB LEU A 35 -2.370 5.864 4.959 1.00 0.00 C ATOM 480 CG LEU A 35 -1.888 6.799 6.070 1.00 0.00 C ATOM 481 CD1 LEU A 35 -3.056 7.581 6.673 1.00 0.00 C ATOM 482 CD2 LEU A 35 -1.103 6.028 7.133 1.00 0.00 C ATOM 0 H LEU A 35 -0.297 6.655 3.707 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.082 4.207 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.793 6.471 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.178 5.249 5.354 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.206 7.527 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.686 8.238 7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.534 8.178 5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.782 6.885 7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.772 6.716 7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.742 5.263 7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.235 5.556 6.673 1.00 0.00 H new ATOM 494 N LEU A 36 -1.747 2.840 3.251 1.00 0.00 N ATOM 495 CA LEU A 36 -2.180 1.973 2.169 1.00 0.00 C ATOM 496 C LEU A 36 -3.620 1.523 2.427 1.00 0.00 C ATOM 497 O LEU A 36 -4.078 1.522 3.569 1.00 0.00 O ATOM 498 CB LEU A 36 -1.198 0.814 1.985 1.00 0.00 C ATOM 499 CG LEU A 36 0.228 1.200 1.586 1.00 0.00 C ATOM 500 CD1 LEU A 36 1.053 -0.039 1.233 1.00 0.00 C ATOM 501 CD2 LEU A 36 0.221 2.227 0.452 1.00 0.00 C ATOM 0 H LEU A 36 -1.409 2.351 4.080 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.179 2.515 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.153 0.250 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.598 0.142 1.225 1.00 0.00 H new ATOM 0 HG LEU A 36 0.707 1.672 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.062 0.263 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.099 -0.703 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.586 -0.561 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.247 2.484 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.283 1.805 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.306 3.124 0.777 1.00 0.00 H new ATOM 513 N ASN A 37 -4.293 1.153 1.348 1.00 0.00 N ATOM 514 CA ASN A 37 -5.671 0.703 1.443 1.00 0.00 C ATOM 515 C ASN A 37 -6.044 -0.058 0.169 1.00 0.00 C ATOM 516 O ASN A 37 -5.922 0.474 -0.934 1.00 0.00 O ATOM 517 CB ASN A 37 -6.629 1.887 1.584 1.00 0.00 C ATOM 518 CG ASN A 37 -5.968 3.040 2.342 1.00 0.00 C ATOM 519 OD1 ASN A 37 -5.171 3.795 1.590 1.00 0.00 O flip ATOM 520 ND2 ASN A 37 -6.168 3.232 3.530 1.00 0.00 N flip ATOM 0 H ASN A 37 -3.909 1.156 0.403 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.757 0.064 2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.940 2.227 0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.530 1.570 2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.792 2.614 4.049 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.711 4.011 4.005 1.00 0.00 H new ATOM 527 N TRP A 38 -6.490 -1.290 0.363 1.00 0.00 N ATOM 528 CA TRP A 38 -6.882 -2.129 -0.757 1.00 0.00 C ATOM 529 C TRP A 38 -8.175 -2.853 -0.377 1.00 0.00 C ATOM 530 O TRP A 38 -8.622 -2.772 0.766 1.00 0.00 O ATOM 531 CB TRP A 38 -5.753 -3.086 -1.145 1.00 0.00 C ATOM 532 CG TRP A 38 -5.277 -3.984 -0.002 1.00 0.00 C ATOM 533 CD1 TRP A 38 -5.662 -5.236 0.279 1.00 0.00 C ATOM 534 CD2 TRP A 38 -4.305 -3.645 1.010 1.00 0.00 C ATOM 535 NE1 TRP A 38 -5.012 -5.727 1.393 1.00 0.00 N ATOM 536 CE2 TRP A 38 -4.160 -4.729 1.851 1.00 0.00 C ATOM 537 CE3 TRP A 38 -3.571 -2.462 1.207 1.00 0.00 C ATOM 538 CZ2 TRP A 38 -3.289 -4.738 2.948 1.00 0.00 C ATOM 539 CZ3 TRP A 38 -2.706 -2.486 2.306 1.00 0.00 C ATOM 540 CH2 TRP A 38 -2.549 -3.569 3.163 1.00 0.00 C ATOM 0 H TRP A 38 -6.589 -1.728 1.279 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.070 -1.525 -1.644 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.090 -3.714 -1.970 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.908 -2.504 -1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.390 -5.791 -0.294 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.134 -6.652 1.805 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -3.668 -1.602 0.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.194 -5.599 3.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.119 -1.601 2.502 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -1.859 -3.509 3.992 1.00 0.00 H new ATOM 551 N GLU A 39 -8.739 -3.544 -1.356 1.00 0.00 N ATOM 552 CA GLU A 39 -9.972 -4.281 -1.138 1.00 0.00 C ATOM 553 C GLU A 39 -9.678 -5.612 -0.443 1.00 0.00 C ATOM 554 O GLU A 39 -8.569 -5.833 0.041 1.00 0.00 O ATOM 555 CB GLU A 39 -10.718 -4.504 -2.455 1.00 0.00 C ATOM 556 CG GLU A 39 -11.976 -3.636 -2.526 1.00 0.00 C ATOM 557 CD GLU A 39 -13.238 -4.489 -2.384 1.00 0.00 C ATOM 558 OE1 GLU A 39 -13.463 -4.988 -1.260 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.950 -4.624 -3.403 1.00 0.00 O ATOM 0 H GLU A 39 -8.365 -3.609 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.617 -3.688 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.062 -4.269 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.991 -5.555 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.949 -2.885 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.000 -3.100 -3.475 1.00 0.00 H new ATOM 566 N GLN A 40 -10.692 -6.465 -0.415 1.00 0.00 N ATOM 567 CA GLN A 40 -10.557 -7.768 0.213 1.00 0.00 C ATOM 568 C GLN A 40 -10.628 -8.875 -0.841 1.00 0.00 C ATOM 569 O GLN A 40 -11.088 -8.645 -1.958 1.00 0.00 O ATOM 570 CB GLN A 40 -11.622 -7.970 1.292 1.00 0.00 C ATOM 571 CG GLN A 40 -13.014 -7.620 0.761 1.00 0.00 C ATOM 572 CD GLN A 40 -14.086 -7.879 1.821 1.00 0.00 C ATOM 573 OE1 GLN A 40 -14.120 -8.914 2.467 1.00 0.00 O ATOM 574 NE2 GLN A 40 -14.958 -6.884 1.964 1.00 0.00 N ATOM 0 H GLN A 40 -11.611 -6.279 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.582 -7.816 0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.608 -9.005 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.392 -7.347 2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.040 -6.572 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.227 -8.212 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.872 -6.045 1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.712 -6.961 2.647 1.00 0.00 H new ATOM 583 N VAL A 41 -10.165 -10.053 -0.448 1.00 0.00 N ATOM 584 CA VAL A 41 -10.170 -11.196 -1.345 1.00 0.00 C ATOM 585 C VAL A 41 -10.928 -12.351 -0.688 1.00 0.00 C ATOM 586 O VAL A 41 -10.486 -12.892 0.325 1.00 0.00 O ATOM 587 CB VAL A 41 -8.736 -11.565 -1.730 1.00 0.00 C ATOM 588 CG1 VAL A 41 -8.634 -13.042 -2.116 1.00 0.00 C ATOM 589 CG2 VAL A 41 -8.223 -10.667 -2.858 1.00 0.00 C ATOM 0 H VAL A 41 -9.784 -10.240 0.479 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.689 -10.952 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.103 -11.403 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.604 -13.277 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.939 -13.661 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.286 -13.242 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.202 -10.950 -3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.861 -10.783 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.241 -9.627 -2.532 1.00 0.00 H new ATOM 599 N LYS A 42 -12.056 -12.695 -1.291 1.00 0.00 N ATOM 600 CA LYS A 42 -12.880 -13.776 -0.777 1.00 0.00 C ATOM 601 C LYS A 42 -12.580 -15.056 -1.559 1.00 0.00 C ATOM 602 O LYS A 42 -12.896 -15.153 -2.744 1.00 0.00 O ATOM 603 CB LYS A 42 -14.357 -13.378 -0.792 1.00 0.00 C ATOM 604 CG LYS A 42 -14.616 -12.193 0.142 1.00 0.00 C ATOM 605 CD LYS A 42 -14.891 -12.670 1.569 1.00 0.00 C ATOM 606 CE LYS A 42 -16.280 -13.302 1.678 1.00 0.00 C ATOM 607 NZ LYS A 42 -17.245 -12.337 2.249 1.00 0.00 N ATOM 0 H LYS A 42 -12.419 -12.244 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.638 -13.976 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.657 -13.118 -1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.969 -14.227 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.754 -11.526 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.466 -11.617 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.133 -13.395 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.815 -11.829 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.618 -13.624 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.233 -14.192 2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.183 -12.782 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.929 -12.050 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.303 -11.499 1.635 1.00 0.00 H new ATOM 621 N ALA A 43 -11.974 -16.007 -0.864 1.00 0.00 N ATOM 622 CA ALA A 43 -11.628 -17.278 -1.479 1.00 0.00 C ATOM 623 C ALA A 43 -12.893 -17.930 -2.039 1.00 0.00 C ATOM 624 O ALA A 43 -13.940 -17.918 -1.393 1.00 0.00 O ATOM 625 CB ALA A 43 -10.919 -18.165 -0.453 1.00 0.00 C ATOM 0 H ALA A 43 -11.714 -15.923 0.119 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.940 -17.127 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.659 -19.118 -0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.011 -17.669 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.581 -18.340 0.395 1.00 0.00 H new ATOM 677 N GLU A 47 -11.631 -23.193 -1.603 1.00 0.00 N ATOM 678 CA GLU A 47 -10.350 -22.573 -1.310 1.00 0.00 C ATOM 679 C GLU A 47 -10.315 -22.088 0.141 1.00 0.00 C ATOM 680 O GLU A 47 -11.293 -22.236 0.873 1.00 0.00 O ATOM 681 CB GLU A 47 -10.062 -21.424 -2.279 1.00 0.00 C ATOM 682 CG GLU A 47 -9.454 -21.946 -3.582 1.00 0.00 C ATOM 683 CD GLU A 47 -10.428 -22.877 -4.307 1.00 0.00 C ATOM 684 OE1 GLU A 47 -10.666 -23.980 -3.769 1.00 0.00 O ATOM 685 OE2 GLU A 47 -10.913 -22.465 -5.383 1.00 0.00 O ATOM 0 HA GLU A 47 -9.568 -23.321 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.985 -20.885 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.379 -20.713 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.197 -21.107 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.528 -22.479 -3.367 1.00 0.00 H new ATOM 692 N SER A 48 -9.178 -21.518 0.514 1.00 0.00 N ATOM 693 CA SER A 48 -9.003 -21.010 1.864 1.00 0.00 C ATOM 694 C SER A 48 -9.185 -19.491 1.879 1.00 0.00 C ATOM 695 O SER A 48 -8.614 -18.785 1.049 1.00 0.00 O ATOM 696 CB SER A 48 -7.628 -21.386 2.420 1.00 0.00 C ATOM 697 OG SER A 48 -7.727 -22.259 3.541 1.00 0.00 O ATOM 0 H SER A 48 -8.369 -21.397 -0.095 1.00 0.00 H new ATOM 0 HA SER A 48 -9.760 -21.466 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.039 -21.865 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.095 -20.481 2.711 1.00 0.00 H new ATOM 0 HG SER A 48 -6.829 -22.477 3.866 1.00 0.00 H new ATOM 703 N GLU A 49 -9.982 -19.032 2.833 1.00 0.00 N ATOM 704 CA GLU A 49 -10.246 -17.609 2.968 1.00 0.00 C ATOM 705 C GLU A 49 -8.954 -16.859 3.301 1.00 0.00 C ATOM 706 O GLU A 49 -7.976 -17.464 3.735 1.00 0.00 O ATOM 707 CB GLU A 49 -11.320 -17.348 4.026 1.00 0.00 C ATOM 708 CG GLU A 49 -10.731 -17.428 5.436 1.00 0.00 C ATOM 709 CD GLU A 49 -11.747 -18.009 6.422 1.00 0.00 C ATOM 710 OE1 GLU A 49 -12.928 -17.613 6.319 1.00 0.00 O ATOM 711 OE2 GLU A 49 -11.319 -18.835 7.256 1.00 0.00 O ATOM 0 H GLU A 49 -10.454 -19.620 3.520 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.624 -17.237 2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.760 -16.364 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.123 -18.077 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.834 -18.048 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.428 -16.434 5.764 1.00 0.00 H new ATOM 718 N VAL A 50 -8.994 -15.553 3.084 1.00 0.00 N ATOM 719 CA VAL A 50 -7.839 -14.714 3.356 1.00 0.00 C ATOM 720 C VAL A 50 -7.804 -14.369 4.846 1.00 0.00 C ATOM 721 O VAL A 50 -8.617 -13.580 5.324 1.00 0.00 O ATOM 722 CB VAL A 50 -7.869 -13.476 2.457 1.00 0.00 C ATOM 723 CG1 VAL A 50 -6.790 -12.472 2.870 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.721 -13.864 0.984 1.00 0.00 C ATOM 0 H VAL A 50 -9.808 -15.055 2.723 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.917 -15.247 3.124 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.839 -12.996 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.833 -11.602 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.959 -12.160 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.808 -12.939 2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.746 -12.966 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.772 -14.379 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.540 -14.524 0.697 1.00 0.00 H new ATOM 734 N THR A 51 -6.853 -14.979 5.539 1.00 0.00 N ATOM 735 CA THR A 51 -6.701 -14.747 6.965 1.00 0.00 C ATOM 736 C THR A 51 -5.818 -13.523 7.215 1.00 0.00 C ATOM 737 O THR A 51 -5.652 -13.096 8.356 1.00 0.00 O ATOM 738 CB THR A 51 -6.156 -16.029 7.597 1.00 0.00 C ATOM 739 OG1 THR A 51 -4.958 -16.292 6.872 1.00 0.00 O ATOM 740 CG2 THR A 51 -7.039 -17.245 7.310 1.00 0.00 C ATOM 0 H THR A 51 -6.180 -15.633 5.139 1.00 0.00 H new ATOM 0 HA THR A 51 -7.659 -14.519 7.433 1.00 0.00 H new ATOM 0 HB THR A 51 -6.066 -15.892 8.675 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.538 -17.107 7.218 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.607 -18.128 7.781 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.038 -17.072 7.711 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.102 -17.403 6.233 1.00 0.00 H new ATOM 748 N GLY A 52 -5.274 -12.994 6.129 1.00 0.00 N ATOM 749 CA GLY A 52 -4.411 -11.828 6.216 1.00 0.00 C ATOM 750 C GLY A 52 -3.854 -11.454 4.841 1.00 0.00 C ATOM 751 O GLY A 52 -4.275 -12.006 3.825 1.00 0.00 O ATOM 0 H GLY A 52 -5.414 -13.351 5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.970 -10.987 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.589 -12.030 6.903 1.00 0.00 H new ATOM 755 N TYR A 53 -2.915 -10.520 4.852 1.00 0.00 N ATOM 756 CA TYR A 53 -2.296 -10.066 3.619 1.00 0.00 C ATOM 757 C TYR A 53 -0.814 -9.750 3.833 1.00 0.00 C ATOM 758 O TYR A 53 -0.389 -9.483 4.956 1.00 0.00 O ATOM 759 CB TYR A 53 -3.027 -8.780 3.228 1.00 0.00 C ATOM 760 CG TYR A 53 -4.349 -9.015 2.493 1.00 0.00 C ATOM 761 CD1 TYR A 53 -4.344 -9.352 1.155 1.00 0.00 C ATOM 762 CD2 TYR A 53 -5.545 -8.891 3.169 1.00 0.00 C ATOM 763 CE1 TYR A 53 -5.588 -9.573 0.464 1.00 0.00 C ATOM 764 CE2 TYR A 53 -6.789 -9.112 2.478 1.00 0.00 C ATOM 765 CZ TYR A 53 -6.749 -9.442 1.159 1.00 0.00 C ATOM 766 OH TYR A 53 -7.924 -9.651 0.506 1.00 0.00 O ATOM 0 H TYR A 53 -2.568 -10.065 5.696 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.364 -10.836 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.222 -8.197 4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.373 -8.180 2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.407 -9.450 0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.548 -8.628 4.217 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.598 -9.837 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.732 -9.018 2.995 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.928 -9.142 -0.331 1.00 0.00 H new ATOM 776 N LYS A 54 -0.068 -9.792 2.739 1.00 0.00 N ATOM 777 CA LYS A 54 1.357 -9.513 2.793 1.00 0.00 C ATOM 778 C LYS A 54 1.670 -8.305 1.909 1.00 0.00 C ATOM 779 O LYS A 54 1.445 -8.340 0.700 1.00 0.00 O ATOM 780 CB LYS A 54 2.161 -10.764 2.432 1.00 0.00 C ATOM 781 CG LYS A 54 2.006 -11.844 3.504 1.00 0.00 C ATOM 782 CD LYS A 54 2.968 -13.007 3.254 1.00 0.00 C ATOM 783 CE LYS A 54 3.421 -13.637 4.573 1.00 0.00 C ATOM 784 NZ LYS A 54 4.894 -13.576 4.698 1.00 0.00 N ATOM 0 H LYS A 54 -0.424 -10.015 1.809 1.00 0.00 H new ATOM 0 HA LYS A 54 1.656 -9.251 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.826 -11.151 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.214 -10.505 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.196 -11.415 4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.980 -12.211 3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.480 -13.761 2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.837 -12.652 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.957 -13.115 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.089 -14.674 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.241 -14.450 5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.319 -13.475 3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.159 -12.760 5.286 1.00 0.00 H new ATOM 798 N VAL A 55 2.184 -7.263 2.546 1.00 0.00 N ATOM 799 CA VAL A 55 2.530 -6.045 1.833 1.00 0.00 C ATOM 800 C VAL A 55 3.992 -6.118 1.388 1.00 0.00 C ATOM 801 O VAL A 55 4.891 -6.242 2.218 1.00 0.00 O ATOM 802 CB VAL A 55 2.231 -4.825 2.705 1.00 0.00 C ATOM 803 CG1 VAL A 55 2.458 -3.526 1.928 1.00 0.00 C ATOM 804 CG2 VAL A 55 0.808 -4.887 3.266 1.00 0.00 C ATOM 0 H VAL A 55 2.369 -7.237 3.549 1.00 0.00 H new ATOM 0 HA VAL A 55 1.921 -5.942 0.935 1.00 0.00 H new ATOM 0 HB VAL A 55 2.924 -4.837 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.238 -2.674 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.496 -3.475 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.801 -3.503 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.621 -4.008 3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.093 -4.912 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.695 -5.786 3.872 1.00 0.00 H new ATOM 814 N PHE A 56 4.184 -6.038 0.080 1.00 0.00 N ATOM 815 CA PHE A 56 5.521 -6.094 -0.486 1.00 0.00 C ATOM 816 C PHE A 56 5.959 -4.718 -0.993 1.00 0.00 C ATOM 817 O PHE A 56 5.559 -4.296 -2.077 1.00 0.00 O ATOM 818 CB PHE A 56 5.468 -7.066 -1.666 1.00 0.00 C ATOM 819 CG PHE A 56 5.390 -8.538 -1.256 1.00 0.00 C ATOM 820 CD1 PHE A 56 4.266 -9.018 -0.658 1.00 0.00 C ATOM 821 CD2 PHE A 56 6.443 -9.366 -1.490 1.00 0.00 C ATOM 822 CE1 PHE A 56 4.193 -10.384 -0.278 1.00 0.00 C ATOM 823 CE2 PHE A 56 6.370 -10.732 -1.109 1.00 0.00 C ATOM 824 CZ PHE A 56 5.247 -11.213 -0.511 1.00 0.00 C ATOM 0 H PHE A 56 3.435 -5.935 -0.605 1.00 0.00 H new ATOM 0 HA PHE A 56 6.233 -6.416 0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.603 -6.825 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.353 -6.918 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.430 -8.360 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.335 -8.985 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.301 -10.765 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.207 -11.389 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.192 -12.252 -0.221 1.00 0.00 H new ATOM 834 N TYR A 57 6.776 -4.058 -0.185 1.00 0.00 N ATOM 835 CA TYR A 57 7.273 -2.739 -0.538 1.00 0.00 C ATOM 836 C TYR A 57 8.762 -2.789 -0.888 1.00 0.00 C ATOM 837 O TYR A 57 9.544 -3.438 -0.195 1.00 0.00 O ATOM 838 CB TYR A 57 7.082 -1.869 0.706 1.00 0.00 C ATOM 839 CG TYR A 57 7.598 -2.508 1.997 1.00 0.00 C ATOM 840 CD1 TYR A 57 6.773 -3.329 2.738 1.00 0.00 C ATOM 841 CD2 TYR A 57 8.889 -2.264 2.420 1.00 0.00 C ATOM 842 CE1 TYR A 57 7.258 -3.931 3.953 1.00 0.00 C ATOM 843 CE2 TYR A 57 9.374 -2.866 3.635 1.00 0.00 C ATOM 844 CZ TYR A 57 8.535 -3.669 4.341 1.00 0.00 C ATOM 845 OH TYR A 57 8.993 -4.237 5.489 1.00 0.00 O ATOM 0 H TYR A 57 7.106 -4.412 0.713 1.00 0.00 H new ATOM 0 HA TYR A 57 6.742 -2.349 -1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.593 -0.918 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.021 -1.646 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.763 -3.520 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.535 -1.622 1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.623 -4.575 4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.382 -2.683 3.978 1.00 0.00 H new ATOM 0 HH TYR A 57 9.921 -3.963 5.642 1.00 0.00 H new ATOM 855 N ARG A 58 9.109 -2.096 -1.962 1.00 0.00 N ATOM 856 CA ARG A 58 10.489 -2.054 -2.412 1.00 0.00 C ATOM 857 C ARG A 58 10.743 -0.786 -3.229 1.00 0.00 C ATOM 858 O ARG A 58 9.912 -0.393 -4.047 1.00 0.00 O ATOM 859 CB ARG A 58 10.829 -3.278 -3.265 1.00 0.00 C ATOM 860 CG ARG A 58 9.669 -3.636 -4.197 1.00 0.00 C ATOM 861 CD ARG A 58 10.175 -4.343 -5.455 1.00 0.00 C ATOM 862 NE ARG A 58 10.476 -3.348 -6.509 1.00 0.00 N ATOM 863 CZ ARG A 58 10.781 -3.664 -7.775 1.00 0.00 C ATOM 864 NH1 ARG A 58 10.827 -4.949 -8.153 1.00 0.00 N ATOM 865 NH2 ARG A 58 11.040 -2.695 -8.663 1.00 0.00 N ATOM 0 H ARG A 58 8.458 -1.559 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 58 11.125 -2.054 -1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.725 -3.078 -3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.055 -4.125 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.962 -4.280 -3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.129 -2.731 -4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.070 -4.921 -5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.425 -5.048 -5.813 1.00 0.00 H new ATOM 0 HE ARG A 58 10.450 -2.360 -6.256 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.630 -5.687 -7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.059 -5.189 -9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.005 -1.717 -8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.272 -2.935 -9.627 1.00 0.00 H new ATOM 879 N THR A 59 11.894 -0.179 -2.980 1.00 0.00 N ATOM 880 CA THR A 59 12.268 1.037 -3.682 1.00 0.00 C ATOM 881 C THR A 59 12.256 0.804 -5.194 1.00 0.00 C ATOM 882 O THR A 59 12.146 -0.333 -5.650 1.00 0.00 O ATOM 883 CB THR A 59 13.627 1.493 -3.148 1.00 0.00 C ATOM 884 OG1 THR A 59 13.483 1.428 -1.732 1.00 0.00 O ATOM 885 CG2 THR A 59 13.899 2.972 -3.428 1.00 0.00 C ATOM 0 H THR A 59 12.581 -0.507 -2.301 1.00 0.00 H new ATOM 0 HA THR A 59 11.548 1.835 -3.502 1.00 0.00 H new ATOM 0 HB THR A 59 14.415 0.888 -3.596 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.320 1.706 -1.305 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.876 3.244 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.885 3.147 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.130 3.580 -2.951 1.00 0.00 H new ATOM 893 N SER A 60 12.370 1.900 -5.930 1.00 0.00 N ATOM 894 CA SER A 60 12.374 1.829 -7.381 1.00 0.00 C ATOM 895 C SER A 60 13.265 0.676 -7.847 1.00 0.00 C ATOM 896 O SER A 60 13.042 0.107 -8.914 1.00 0.00 O ATOM 897 CB SER A 60 12.849 3.148 -7.995 1.00 0.00 C ATOM 898 OG SER A 60 14.210 3.085 -8.410 1.00 0.00 O ATOM 0 H SER A 60 12.460 2.842 -5.549 1.00 0.00 H new ATOM 0 HA SER A 60 11.353 1.649 -7.717 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.221 3.397 -8.850 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.729 3.950 -7.267 1.00 0.00 H new ATOM 0 HG SER A 60 14.385 3.792 -9.065 1.00 0.00 H new ATOM 960 N VAL A 65 12.708 -7.366 -1.864 1.00 0.00 N ATOM 961 CA VAL A 65 11.551 -6.708 -1.282 1.00 0.00 C ATOM 962 C VAL A 65 11.209 -7.374 0.052 1.00 0.00 C ATOM 963 O VAL A 65 11.476 -8.559 0.245 1.00 0.00 O ATOM 964 CB VAL A 65 10.386 -6.724 -2.274 1.00 0.00 C ATOM 965 CG1 VAL A 65 9.984 -8.157 -2.625 1.00 0.00 C ATOM 966 CG2 VAL A 65 9.192 -5.937 -1.730 1.00 0.00 C ATOM 0 HA VAL A 65 11.771 -5.660 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 65 10.720 -6.236 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.154 -8.139 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.832 -8.673 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.679 -8.681 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.378 -5.964 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.859 -6.383 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.487 -4.903 -1.555 1.00 0.00 H new ATOM 976 N GLN A 66 10.622 -6.583 0.939 1.00 0.00 N ATOM 977 CA GLN A 66 10.241 -7.082 2.249 1.00 0.00 C ATOM 978 C GLN A 66 8.733 -7.335 2.303 1.00 0.00 C ATOM 979 O GLN A 66 7.997 -6.913 1.412 1.00 0.00 O ATOM 980 CB GLN A 66 10.674 -6.113 3.352 1.00 0.00 C ATOM 981 CG GLN A 66 12.074 -6.455 3.863 1.00 0.00 C ATOM 982 CD GLN A 66 12.090 -7.825 4.544 1.00 0.00 C ATOM 983 OE1 GLN A 66 12.220 -8.860 3.910 1.00 0.00 O ATOM 984 NE2 GLN A 66 11.951 -7.775 5.865 1.00 0.00 N ATOM 0 H GLN A 66 10.401 -5.601 0.776 1.00 0.00 H new ATOM 0 HA GLN A 66 10.755 -8.028 2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.662 -5.092 2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.962 -6.153 4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.780 -6.450 3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.405 -5.691 4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.847 -6.875 6.333 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.949 -8.637 6.411 1.00 0.00 H new ATOM 993 N VAL A 67 8.318 -8.022 3.356 1.00 0.00 N ATOM 994 CA VAL A 67 6.911 -8.337 3.538 1.00 0.00 C ATOM 995 C VAL A 67 6.465 -7.878 4.928 1.00 0.00 C ATOM 996 O VAL A 67 7.185 -8.066 5.907 1.00 0.00 O ATOM 997 CB VAL A 67 6.672 -9.828 3.295 1.00 0.00 C ATOM 998 CG1 VAL A 67 5.359 -10.285 3.934 1.00 0.00 C ATOM 999 CG2 VAL A 67 6.696 -10.151 1.799 1.00 0.00 C ATOM 0 H VAL A 67 8.931 -8.370 4.093 1.00 0.00 H new ATOM 0 HA VAL A 67 6.303 -7.802 2.809 1.00 0.00 H new ATOM 0 HB VAL A 67 7.484 -10.379 3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.214 -11.349 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.397 -10.108 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.530 -9.724 3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.524 -11.217 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.915 -9.585 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.667 -9.881 1.384 1.00 0.00 H new ATOM 1009 N LEU A 68 5.280 -7.287 4.969 1.00 0.00 N ATOM 1010 CA LEU A 68 4.730 -6.800 6.223 1.00 0.00 C ATOM 1011 C LEU A 68 3.449 -7.571 6.546 1.00 0.00 C ATOM 1012 O LEU A 68 2.597 -7.757 5.679 1.00 0.00 O ATOM 1013 CB LEU A 68 4.539 -5.283 6.172 1.00 0.00 C ATOM 1014 CG LEU A 68 3.252 -4.748 6.803 1.00 0.00 C ATOM 1015 CD1 LEU A 68 3.479 -3.368 7.424 1.00 0.00 C ATOM 1016 CD2 LEU A 68 2.107 -4.738 5.789 1.00 0.00 C ATOM 0 H LEU A 68 4.685 -7.134 4.154 1.00 0.00 H new ATOM 0 HA LEU A 68 5.427 -6.982 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.387 -4.813 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.567 -4.968 5.129 1.00 0.00 H new ATOM 0 HG LEU A 68 2.962 -5.421 7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.549 -3.010 7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.244 -3.438 8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.806 -2.671 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.204 -4.353 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.373 -4.101 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.926 -5.753 5.434 1.00 0.00 H new ATOM 1028 N ASN A 69 3.353 -7.999 7.796 1.00 0.00 N ATOM 1029 CA ASN A 69 2.189 -8.746 8.245 1.00 0.00 C ATOM 1030 C ASN A 69 1.110 -7.767 8.711 1.00 0.00 C ATOM 1031 O ASN A 69 1.392 -6.843 9.472 1.00 0.00 O ATOM 1032 CB ASN A 69 2.541 -9.659 9.421 1.00 0.00 C ATOM 1033 CG ASN A 69 3.247 -10.927 8.938 1.00 0.00 C ATOM 1034 OD1 ASN A 69 4.351 -11.248 9.347 1.00 0.00 O ATOM 1035 ND2 ASN A 69 2.550 -11.629 8.049 1.00 0.00 N ATOM 0 H ASN A 69 4.062 -7.843 8.513 1.00 0.00 H new ATOM 0 HA ASN A 69 1.835 -9.353 7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.183 -9.125 10.121 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.634 -9.927 9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.934 -12.493 7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.631 -11.303 7.749 1.00 0.00 H new ATOM 1042 N THR A 70 -0.104 -8.005 8.236 1.00 0.00 N ATOM 1043 CA THR A 70 -1.227 -7.156 8.596 1.00 0.00 C ATOM 1044 C THR A 70 -2.543 -7.923 8.450 1.00 0.00 C ATOM 1045 O THR A 70 -2.807 -8.516 7.405 1.00 0.00 O ATOM 1046 CB THR A 70 -1.161 -5.893 7.734 1.00 0.00 C ATOM 1047 OG1 THR A 70 -2.156 -5.040 8.291 1.00 0.00 O ATOM 1048 CG2 THR A 70 -1.639 -6.137 6.301 1.00 0.00 C ATOM 0 H THR A 70 -0.334 -8.773 7.605 1.00 0.00 H new ATOM 0 HA THR A 70 -1.176 -6.855 9.643 1.00 0.00 H new ATOM 0 HB THR A 70 -0.137 -5.519 7.717 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.247 -4.238 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.572 -5.210 5.732 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.012 -6.896 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.674 -6.479 6.316 1.00 0.00 H new ATOM 1056 N ASN A 71 -3.334 -7.885 9.512 1.00 0.00 N ATOM 1057 CA ASN A 71 -4.616 -8.569 9.515 1.00 0.00 C ATOM 1058 C ASN A 71 -5.716 -7.583 9.118 1.00 0.00 C ATOM 1059 O ASN A 71 -6.739 -7.483 9.794 1.00 0.00 O ATOM 1060 CB ASN A 71 -4.948 -9.111 10.907 1.00 0.00 C ATOM 1061 CG ASN A 71 -5.173 -7.970 11.901 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -4.936 -6.808 11.616 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -5.644 -8.365 13.080 1.00 0.00 N ATOM 0 H ASN A 71 -3.112 -7.391 10.376 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.557 -9.398 8.809 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.841 -9.734 10.855 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.135 -9.748 11.257 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.829 -7.678 13.811 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.821 -9.355 13.253 1.00 0.00 H new ATOM 1070 N LYS A 72 -5.469 -6.880 8.023 1.00 0.00 N ATOM 1071 CA LYS A 72 -6.426 -5.905 7.527 1.00 0.00 C ATOM 1072 C LYS A 72 -6.257 -5.754 6.014 1.00 0.00 C ATOM 1073 O LYS A 72 -5.404 -6.406 5.413 1.00 0.00 O ATOM 1074 CB LYS A 72 -6.296 -4.588 8.295 1.00 0.00 C ATOM 1075 CG LYS A 72 -4.882 -4.017 8.168 1.00 0.00 C ATOM 1076 CD LYS A 72 -4.311 -3.656 9.541 1.00 0.00 C ATOM 1077 CE LYS A 72 -3.427 -2.410 9.457 1.00 0.00 C ATOM 1078 NZ LYS A 72 -3.457 -1.666 10.736 1.00 0.00 N ATOM 0 H LYS A 72 -4.620 -6.966 7.465 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.445 -6.250 7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.019 -3.867 7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.533 -4.751 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.234 -4.746 7.681 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.899 -3.131 7.533 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.126 -3.481 10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.730 -4.493 9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.403 -2.699 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.771 -1.767 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.852 -0.823 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.433 -1.374 10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.107 -2.277 11.501 1.00 0.00 H new ATOM 1092 N THR A 73 -7.083 -4.891 5.442 1.00 0.00 N ATOM 1093 CA THR A 73 -7.035 -4.646 4.010 1.00 0.00 C ATOM 1094 C THR A 73 -6.215 -3.390 3.711 1.00 0.00 C ATOM 1095 O THR A 73 -6.226 -2.889 2.587 1.00 0.00 O ATOM 1096 CB THR A 73 -8.474 -4.569 3.495 1.00 0.00 C ATOM 1097 OG1 THR A 73 -9.199 -3.988 4.576 1.00 0.00 O ATOM 1098 CG2 THR A 73 -9.108 -5.950 3.321 1.00 0.00 C ATOM 0 H THR A 73 -7.789 -4.353 5.944 1.00 0.00 H new ATOM 0 HA THR A 73 -6.530 -5.458 3.487 1.00 0.00 H new ATOM 0 HB THR A 73 -8.491 -4.039 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.143 -3.900 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.128 -5.838 2.954 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.526 -6.530 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.122 -6.467 4.280 1.00 0.00 H new ATOM 1106 N SER A 74 -5.522 -2.915 4.736 1.00 0.00 N ATOM 1107 CA SER A 74 -4.698 -1.727 4.597 1.00 0.00 C ATOM 1108 C SER A 74 -3.337 -1.954 5.257 1.00 0.00 C ATOM 1109 O SER A 74 -3.081 -3.024 5.808 1.00 0.00 O ATOM 1110 CB SER A 74 -5.386 -0.505 5.207 1.00 0.00 C ATOM 1111 OG SER A 74 -6.460 -0.036 4.395 1.00 0.00 O ATOM 0 H SER A 74 -5.515 -3.332 5.667 1.00 0.00 H new ATOM 0 HA SER A 74 -4.552 -1.535 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.764 -0.759 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.656 0.294 5.339 1.00 0.00 H new ATOM 0 HG SER A 74 -6.874 0.744 4.819 1.00 0.00 H new ATOM 1117 N ALA A 75 -2.499 -0.931 5.181 1.00 0.00 N ATOM 1118 CA ALA A 75 -1.171 -1.005 5.764 1.00 0.00 C ATOM 1119 C ALA A 75 -0.602 0.408 5.910 1.00 0.00 C ATOM 1120 O ALA A 75 -1.260 1.385 5.555 1.00 0.00 O ATOM 1121 CB ALA A 75 -0.283 -1.905 4.901 1.00 0.00 C ATOM 0 H ALA A 75 -2.715 -0.045 4.724 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.214 -1.447 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.714 -1.960 5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.715 -2.905 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.215 -1.492 3.895 1.00 0.00 H new ATOM 1127 N GLU A 76 0.614 0.471 6.432 1.00 0.00 N ATOM 1128 CA GLU A 76 1.278 1.748 6.629 1.00 0.00 C ATOM 1129 C GLU A 76 2.793 1.586 6.487 1.00 0.00 C ATOM 1130 O GLU A 76 3.422 0.883 7.276 1.00 0.00 O ATOM 1131 CB GLU A 76 0.916 2.351 7.988 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.539 2.823 8.008 1.00 0.00 C ATOM 1133 CD GLU A 76 -0.965 3.226 9.422 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -0.624 4.362 9.815 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.621 2.388 10.077 1.00 0.00 O ATOM 0 H GLU A 76 1.157 -0.342 6.725 1.00 0.00 H new ATOM 0 HA GLU A 76 0.932 2.438 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.073 1.610 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.577 3.190 8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.660 3.670 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.188 2.028 7.641 1.00 0.00 H new ATOM 1142 N LEU A 77 3.335 2.248 5.475 1.00 0.00 N ATOM 1143 CA LEU A 77 4.764 2.186 5.220 1.00 0.00 C ATOM 1144 C LEU A 77 5.401 3.529 5.583 1.00 0.00 C ATOM 1145 O LEU A 77 4.716 4.441 6.043 1.00 0.00 O ATOM 1146 CB LEU A 77 5.032 1.748 3.779 1.00 0.00 C ATOM 1147 CG LEU A 77 4.517 0.360 3.393 1.00 0.00 C ATOM 1148 CD1 LEU A 77 5.221 -0.730 4.202 1.00 0.00 C ATOM 1149 CD2 LEU A 77 2.995 0.283 3.529 1.00 0.00 C ATOM 0 H LEU A 77 2.810 2.830 4.822 1.00 0.00 H new ATOM 0 HA LEU A 77 5.231 1.430 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.582 2.480 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.108 1.776 3.606 1.00 0.00 H new ATOM 0 HG LEU A 77 4.755 0.186 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.837 -1.707 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.293 -0.690 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.036 -0.572 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.655 -0.714 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.711 0.486 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.533 1.022 2.874 1.00 0.00 H new ATOM 1161 N VAL A 78 6.705 3.608 5.362 1.00 0.00 N ATOM 1162 CA VAL A 78 7.442 4.824 5.661 1.00 0.00 C ATOM 1163 C VAL A 78 7.605 5.644 4.379 1.00 0.00 C ATOM 1164 O VAL A 78 7.594 5.093 3.280 1.00 0.00 O ATOM 1165 CB VAL A 78 8.778 4.477 6.322 1.00 0.00 C ATOM 1166 CG1 VAL A 78 8.560 3.699 7.622 1.00 0.00 C ATOM 1167 CG2 VAL A 78 9.680 3.699 5.362 1.00 0.00 C ATOM 0 H VAL A 78 7.270 2.850 4.979 1.00 0.00 H new ATOM 0 HA VAL A 78 6.892 5.439 6.373 1.00 0.00 H new ATOM 0 HB VAL A 78 9.281 5.411 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.525 3.465 8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.974 4.304 8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.026 2.774 7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.623 3.465 5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.185 2.773 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.876 4.303 4.476 1.00 0.00 H new ATOM 1177 N LEU A 79 7.752 6.948 4.564 1.00 0.00 N ATOM 1178 CA LEU A 79 7.917 7.849 3.436 1.00 0.00 C ATOM 1179 C LEU A 79 9.154 7.437 2.636 1.00 0.00 C ATOM 1180 O LEU A 79 10.136 6.961 3.205 1.00 0.00 O ATOM 1181 CB LEU A 79 7.948 9.303 3.912 1.00 0.00 C ATOM 1182 CG LEU A 79 8.966 9.628 5.008 1.00 0.00 C ATOM 1183 CD1 LEU A 79 10.397 9.501 4.481 1.00 0.00 C ATOM 1184 CD2 LEU A 79 8.698 11.007 5.613 1.00 0.00 C ATOM 0 H LEU A 79 7.760 7.402 5.477 1.00 0.00 H new ATOM 0 HA LEU A 79 7.063 7.776 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.152 9.942 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.955 9.567 4.276 1.00 0.00 H new ATOM 0 HG LEU A 79 8.852 8.898 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.101 9.737 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.568 8.481 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.542 10.194 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.435 11.213 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.769 11.766 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.699 11.026 6.048 1.00 0.00 H new ATOM 1196 N PRO A 80 9.065 7.641 1.294 1.00 0.00 N ATOM 1197 CA PRO A 80 10.165 7.296 0.410 1.00 0.00 C ATOM 1198 C PRO A 80 11.300 8.315 0.524 1.00 0.00 C ATOM 1199 O PRO A 80 11.053 9.506 0.707 1.00 0.00 O ATOM 1200 CB PRO A 80 9.551 7.243 -0.979 1.00 0.00 C ATOM 1201 CG PRO A 80 8.242 8.010 -0.887 1.00 0.00 C ATOM 1202 CD PRO A 80 7.918 8.202 0.586 1.00 0.00 C ATOM 0 HA PRO A 80 10.626 6.341 0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.216 7.692 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.379 6.213 -1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.328 8.974 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.442 7.462 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.781 9.256 0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.995 7.690 0.859 1.00 0.00 H new ATOM 1210 N ILE A 81 12.520 7.810 0.411 1.00 0.00 N ATOM 1211 CA ILE A 81 13.694 8.662 0.498 1.00 0.00 C ATOM 1212 C ILE A 81 13.866 9.424 -0.817 1.00 0.00 C ATOM 1213 O ILE A 81 13.905 10.653 -0.827 1.00 0.00 O ATOM 1214 CB ILE A 81 14.922 7.843 0.900 1.00 0.00 C ATOM 1215 CG1 ILE A 81 14.661 7.060 2.188 1.00 0.00 C ATOM 1216 CG2 ILE A 81 16.162 8.732 1.010 1.00 0.00 C ATOM 1217 CD1 ILE A 81 13.997 5.715 1.887 1.00 0.00 C ATOM 0 H ILE A 81 12.721 6.821 0.260 1.00 0.00 H new ATOM 0 HA ILE A 81 13.566 9.407 1.283 1.00 0.00 H new ATOM 0 HB ILE A 81 15.118 7.113 0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 81 15.601 6.896 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 81 14.023 7.645 2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 81 17.021 8.125 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 81 16.357 9.205 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 81 15.993 9.501 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 81 13.823 5.179 2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 81 13.046 5.884 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 81 14.649 5.123 1.245 1.00 0.00 H new ATOM 1229 N LYS A 82 13.963 8.661 -1.897 1.00 0.00 N ATOM 1230 CA LYS A 82 14.130 9.249 -3.215 1.00 0.00 C ATOM 1231 C LYS A 82 13.516 8.319 -4.264 1.00 0.00 C ATOM 1232 O LYS A 82 12.385 8.531 -4.700 1.00 0.00 O ATOM 1233 CB LYS A 82 15.602 9.578 -3.473 1.00 0.00 C ATOM 1234 CG LYS A 82 15.922 11.016 -3.058 1.00 0.00 C ATOM 1235 CD LYS A 82 17.130 11.061 -2.120 1.00 0.00 C ATOM 1236 CE LYS A 82 17.223 12.413 -1.410 1.00 0.00 C ATOM 1237 NZ LYS A 82 18.616 12.911 -1.425 1.00 0.00 N ATOM 0 H LYS A 82 13.929 7.642 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 82 13.599 10.199 -3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.236 8.886 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.829 9.441 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.123 11.618 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.056 11.456 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.051 10.263 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.043 10.881 -2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.568 13.133 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.877 12.315 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.662 13.829 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.233 12.230 -0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.934 13.024 -2.409 1.00 0.00 H new ATOM 1251 N GLU A 83 14.287 7.310 -4.639 1.00 0.00 N ATOM 1252 CA GLU A 83 13.833 6.348 -5.628 1.00 0.00 C ATOM 1253 C GLU A 83 12.368 5.982 -5.380 1.00 0.00 C ATOM 1254 O GLU A 83 11.939 5.870 -4.233 1.00 0.00 O ATOM 1255 CB GLU A 83 14.718 5.099 -5.626 1.00 0.00 C ATOM 1256 CG GLU A 83 15.865 5.238 -6.629 1.00 0.00 C ATOM 1257 CD GLU A 83 17.120 4.521 -6.129 1.00 0.00 C ATOM 1258 OE1 GLU A 83 17.267 4.430 -4.891 1.00 0.00 O ATOM 1259 OE2 GLU A 83 17.906 4.080 -6.996 1.00 0.00 O ATOM 0 H GLU A 83 15.224 7.137 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 83 13.911 6.807 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.122 4.937 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.118 4.223 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.564 4.823 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.085 6.293 -6.791 1.00 0.00 H new ATOM 1266 N ASP A 84 11.642 5.807 -6.474 1.00 0.00 N ATOM 1267 CA ASP A 84 10.234 5.456 -6.389 1.00 0.00 C ATOM 1268 C ASP A 84 10.060 4.296 -5.407 1.00 0.00 C ATOM 1269 O ASP A 84 11.042 3.754 -4.901 1.00 0.00 O ATOM 1270 CB ASP A 84 9.695 5.009 -7.749 1.00 0.00 C ATOM 1271 CG ASP A 84 9.640 6.105 -8.815 1.00 0.00 C ATOM 1272 OD1 ASP A 84 10.161 7.204 -8.527 1.00 0.00 O ATOM 1273 OD2 ASP A 84 9.078 5.819 -9.895 1.00 0.00 O ATOM 0 H ASP A 84 12.002 5.902 -7.424 1.00 0.00 H new ATOM 0 HA ASP A 84 9.686 6.338 -6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.317 4.194 -8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.691 4.607 -7.611 1.00 0.00 H new ATOM 1278 N TYR A 85 8.804 3.950 -5.166 1.00 0.00 N ATOM 1279 CA TYR A 85 8.489 2.864 -4.253 1.00 0.00 C ATOM 1280 C TYR A 85 7.449 1.921 -4.862 1.00 0.00 C ATOM 1281 O TYR A 85 6.345 2.344 -5.201 1.00 0.00 O ATOM 1282 CB TYR A 85 7.895 3.521 -3.006 1.00 0.00 C ATOM 1283 CG TYR A 85 8.142 2.740 -1.714 1.00 0.00 C ATOM 1284 CD1 TYR A 85 9.409 2.282 -1.415 1.00 0.00 C ATOM 1285 CD2 TYR A 85 7.097 2.492 -0.847 1.00 0.00 C ATOM 1286 CE1 TYR A 85 9.641 1.546 -0.199 1.00 0.00 C ATOM 1287 CE2 TYR A 85 7.329 1.756 0.369 1.00 0.00 C ATOM 1288 CZ TYR A 85 8.589 1.320 0.633 1.00 0.00 C ATOM 1289 OH TYR A 85 8.809 0.625 1.781 1.00 0.00 O ATOM 0 H TYR A 85 7.992 4.402 -5.587 1.00 0.00 H new ATOM 0 HA TYR A 85 9.380 2.277 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.315 4.521 -2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.821 3.640 -3.147 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.227 2.476 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.105 2.850 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.628 1.182 0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.520 1.555 1.056 1.00 0.00 H new ATOM 0 HH TYR A 85 7.969 0.539 2.278 1.00 0.00 H new ATOM 1299 N ILE A 86 7.839 0.660 -4.981 1.00 0.00 N ATOM 1300 CA ILE A 86 6.955 -0.347 -5.542 1.00 0.00 C ATOM 1301 C ILE A 86 6.330 -1.160 -4.407 1.00 0.00 C ATOM 1302 O ILE A 86 7.038 -1.823 -3.651 1.00 0.00 O ATOM 1303 CB ILE A 86 7.699 -1.199 -6.573 1.00 0.00 C ATOM 1304 CG1 ILE A 86 8.009 -0.389 -7.833 1.00 0.00 C ATOM 1305 CG2 ILE A 86 6.922 -2.478 -6.890 1.00 0.00 C ATOM 1306 CD1 ILE A 86 8.744 0.907 -7.486 1.00 0.00 C ATOM 0 H ILE A 86 8.756 0.313 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 86 6.136 0.125 -6.085 1.00 0.00 H new ATOM 0 HB ILE A 86 8.654 -1.501 -6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.618 -0.986 -8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.082 -0.156 -8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.472 -3.065 -7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.796 -3.063 -5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.943 -2.219 -7.292 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.952 1.463 -8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.122 1.512 -6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.682 0.670 -6.984 1.00 0.00 H new ATOM 1318 N ILE A 87 5.010 -1.083 -4.324 1.00 0.00 N ATOM 1319 CA ILE A 87 4.281 -1.805 -3.294 1.00 0.00 C ATOM 1320 C ILE A 87 3.425 -2.892 -3.947 1.00 0.00 C ATOM 1321 O ILE A 87 2.788 -2.653 -4.972 1.00 0.00 O ATOM 1322 CB ILE A 87 3.483 -0.833 -2.423 1.00 0.00 C ATOM 1323 CG1 ILE A 87 4.227 0.493 -2.256 1.00 0.00 C ATOM 1324 CG2 ILE A 87 3.131 -1.467 -1.076 1.00 0.00 C ATOM 1325 CD1 ILE A 87 3.837 1.179 -0.945 1.00 0.00 C ATOM 0 H ILE A 87 4.426 -0.532 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 87 4.973 -2.308 -2.619 1.00 0.00 H new ATOM 0 HB ILE A 87 2.544 -0.612 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.302 0.315 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.000 1.150 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.564 -0.755 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.531 -2.362 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.047 -1.736 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.380 2.119 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.765 1.377 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.088 0.530 -0.106 1.00 0.00 H new ATOM 1337 N GLU A 88 3.438 -4.063 -3.327 1.00 0.00 N ATOM 1338 CA GLU A 88 2.671 -5.187 -3.836 1.00 0.00 C ATOM 1339 C GLU A 88 1.882 -5.846 -2.703 1.00 0.00 C ATOM 1340 O GLU A 88 2.455 -6.238 -1.688 1.00 0.00 O ATOM 1341 CB GLU A 88 3.580 -6.201 -4.533 1.00 0.00 C ATOM 1342 CG GLU A 88 3.672 -5.914 -6.033 1.00 0.00 C ATOM 1343 CD GLU A 88 3.415 -7.182 -6.850 1.00 0.00 C ATOM 1344 OE1 GLU A 88 4.387 -7.946 -7.034 1.00 0.00 O ATOM 1345 OE2 GLU A 88 2.252 -7.358 -7.273 1.00 0.00 O ATOM 0 H GLU A 88 3.967 -4.258 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 88 1.964 -4.814 -4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.576 -6.167 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.196 -7.209 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.946 -5.148 -6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.659 -5.517 -6.271 1.00 0.00 H new ATOM 1352 N VAL A 89 0.578 -5.948 -2.915 1.00 0.00 N ATOM 1353 CA VAL A 89 -0.296 -6.553 -1.924 1.00 0.00 C ATOM 1354 C VAL A 89 -0.723 -7.941 -2.406 1.00 0.00 C ATOM 1355 O VAL A 89 -1.058 -8.120 -3.576 1.00 0.00 O ATOM 1356 CB VAL A 89 -1.482 -5.629 -1.638 1.00 0.00 C ATOM 1357 CG1 VAL A 89 -2.420 -6.247 -0.599 1.00 0.00 C ATOM 1358 CG2 VAL A 89 -1.004 -4.246 -1.192 1.00 0.00 C ATOM 0 H VAL A 89 0.106 -5.622 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 89 0.232 -6.685 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.043 -5.507 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.254 -5.570 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.800 -7.198 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.875 -6.413 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.866 -3.609 -0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.409 -4.342 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.396 -3.800 -1.979 1.00 0.00 H new ATOM 1368 N LYS A 90 -0.695 -8.889 -1.480 1.00 0.00 N ATOM 1369 CA LYS A 90 -1.075 -10.255 -1.796 1.00 0.00 C ATOM 1370 C LYS A 90 -1.638 -10.926 -0.541 1.00 0.00 C ATOM 1371 O LYS A 90 -1.003 -10.913 0.512 1.00 0.00 O ATOM 1372 CB LYS A 90 0.102 -11.007 -2.420 1.00 0.00 C ATOM 1373 CG LYS A 90 1.333 -10.949 -1.514 1.00 0.00 C ATOM 1374 CD LYS A 90 2.012 -12.317 -1.423 1.00 0.00 C ATOM 1375 CE LYS A 90 3.014 -12.508 -2.563 1.00 0.00 C ATOM 1376 NZ LYS A 90 3.104 -13.937 -2.940 1.00 0.00 N ATOM 0 H LYS A 90 -0.415 -8.737 -0.511 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.865 -10.267 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.177 -12.046 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.341 -10.574 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.039 -10.214 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.040 -10.617 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.523 -12.410 -0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.259 -13.104 -1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.709 -11.917 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.995 -12.144 -2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.580 -14.024 -3.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.648 -14.453 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.147 -14.340 -3.005 1.00 0.00 H new ATOM 1390 N ALA A 91 -2.823 -11.498 -0.696 1.00 0.00 N ATOM 1391 CA ALA A 91 -3.479 -12.173 0.411 1.00 0.00 C ATOM 1392 C ALA A 91 -2.709 -13.451 0.751 1.00 0.00 C ATOM 1393 O ALA A 91 -1.990 -13.989 -0.089 1.00 0.00 O ATOM 1394 CB ALA A 91 -4.938 -12.451 0.047 1.00 0.00 C ATOM 0 H ALA A 91 -3.346 -11.508 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.480 -11.542 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.430 -12.957 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.448 -11.509 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.978 -13.085 -0.839 1.00 0.00 H new ATOM 1400 N THR A 92 -2.886 -13.899 1.985 1.00 0.00 N ATOM 1401 CA THR A 92 -2.217 -15.104 2.447 1.00 0.00 C ATOM 1402 C THR A 92 -3.185 -15.980 3.244 1.00 0.00 C ATOM 1403 O THR A 92 -4.090 -15.470 3.904 1.00 0.00 O ATOM 1404 CB THR A 92 -0.982 -14.682 3.245 1.00 0.00 C ATOM 1405 OG1 THR A 92 -0.645 -15.841 4.002 1.00 0.00 O ATOM 1406 CG2 THR A 92 -1.302 -13.626 4.305 1.00 0.00 C ATOM 0 H THR A 92 -3.483 -13.450 2.679 1.00 0.00 H new ATOM 0 HA THR A 92 -1.887 -15.719 1.610 1.00 0.00 H new ATOM 0 HB THR A 92 -0.225 -14.295 2.563 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.544 -16.607 3.399 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.391 -13.362 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.709 -12.738 3.822 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.034 -14.025 5.007 1.00 0.00 H new ATOM 1414 N THR A 93 -2.963 -17.283 3.156 1.00 0.00 N ATOM 1415 CA THR A 93 -3.805 -18.235 3.860 1.00 0.00 C ATOM 1416 C THR A 93 -2.946 -19.228 4.646 1.00 0.00 C ATOM 1417 O THR A 93 -1.725 -19.089 4.702 1.00 0.00 O ATOM 1418 CB THR A 93 -4.723 -18.903 2.835 1.00 0.00 C ATOM 1419 OG1 THR A 93 -3.834 -19.364 1.821 1.00 0.00 O ATOM 1420 CG2 THR A 93 -5.624 -17.900 2.113 1.00 0.00 C ATOM 0 H THR A 93 -2.212 -17.702 2.608 1.00 0.00 H new ATOM 0 HA THR A 93 -4.430 -17.737 4.601 1.00 0.00 H new ATOM 0 HB THR A 93 -5.340 -19.650 3.334 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.272 -20.067 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.255 -18.427 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.252 -17.386 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.008 -17.171 1.586 1.00 0.00 H new ATOM 1428 N ASP A 94 -3.618 -20.208 5.232 1.00 0.00 N ATOM 1429 CA ASP A 94 -2.931 -21.223 6.012 1.00 0.00 C ATOM 1430 C ASP A 94 -2.057 -22.069 5.083 1.00 0.00 C ATOM 1431 O ASP A 94 -1.104 -22.705 5.530 1.00 0.00 O ATOM 1432 CB ASP A 94 -3.928 -22.157 6.701 1.00 0.00 C ATOM 1433 CG ASP A 94 -3.799 -22.230 8.224 1.00 0.00 C ATOM 1434 OD1 ASP A 94 -2.675 -22.525 8.685 1.00 0.00 O ATOM 1435 OD2 ASP A 94 -4.827 -21.989 8.893 1.00 0.00 O ATOM 0 H ASP A 94 -4.631 -20.321 5.182 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.329 -20.717 6.767 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.938 -21.833 6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.805 -23.160 6.292 1.00 0.00 H new ATOM 1440 N GLY A 95 -2.412 -22.047 3.807 1.00 0.00 N ATOM 1441 CA GLY A 95 -1.672 -22.804 2.811 1.00 0.00 C ATOM 1442 C GLY A 95 -0.404 -22.060 2.389 1.00 0.00 C ATOM 1443 O GLY A 95 0.647 -22.672 2.206 1.00 0.00 O ATOM 0 H GLY A 95 -3.202 -21.517 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.407 -23.781 3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.303 -22.979 1.939 1.00 0.00 H new ATOM 1447 N GLY A 96 -0.544 -20.750 2.246 1.00 0.00 N ATOM 1448 CA GLY A 96 0.578 -19.916 1.848 1.00 0.00 C ATOM 1449 C GLY A 96 0.105 -18.519 1.443 1.00 0.00 C ATOM 1450 O GLY A 96 -0.849 -17.992 2.014 1.00 0.00 O ATOM 0 H GLY A 96 -1.417 -20.246 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.289 -19.839 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.104 -20.382 1.015 1.00 0.00 H new ATOM 1454 N ASP A 97 0.794 -17.958 0.460 1.00 0.00 N ATOM 1455 CA ASP A 97 0.457 -16.632 -0.029 1.00 0.00 C ATOM 1456 C ASP A 97 -0.539 -16.757 -1.184 1.00 0.00 C ATOM 1457 O ASP A 97 -0.963 -17.860 -1.526 1.00 0.00 O ATOM 1458 CB ASP A 97 1.698 -15.905 -0.552 1.00 0.00 C ATOM 1459 CG ASP A 97 2.669 -16.777 -1.351 1.00 0.00 C ATOM 1460 OD1 ASP A 97 3.349 -17.605 -0.707 1.00 0.00 O ATOM 1461 OD2 ASP A 97 2.709 -16.595 -2.587 1.00 0.00 O ATOM 0 H ASP A 97 1.584 -18.398 -0.011 1.00 0.00 H new ATOM 0 HA ASP A 97 0.030 -16.066 0.799 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.376 -15.075 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.232 -15.474 0.295 1.00 0.00 H new ATOM 1466 N GLY A 98 -0.884 -15.611 -1.752 1.00 0.00 N ATOM 1467 CA GLY A 98 -1.822 -15.578 -2.862 1.00 0.00 C ATOM 1468 C GLY A 98 -1.231 -14.827 -4.057 1.00 0.00 C ATOM 1469 O GLY A 98 -0.054 -14.987 -4.375 1.00 0.00 O ATOM 0 H GLY A 98 -0.531 -14.698 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.077 -16.596 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.747 -15.096 -2.547 1.00 0.00 H new ATOM 1473 N THR A 99 -2.077 -14.024 -4.687 1.00 0.00 N ATOM 1474 CA THR A 99 -1.653 -13.248 -5.840 1.00 0.00 C ATOM 1475 C THR A 99 -1.291 -11.823 -5.419 1.00 0.00 C ATOM 1476 O THR A 99 -1.823 -11.306 -4.438 1.00 0.00 O ATOM 1477 CB THR A 99 -2.769 -13.308 -6.885 1.00 0.00 C ATOM 1478 OG1 THR A 99 -3.116 -14.689 -6.944 1.00 0.00 O ATOM 1479 CG2 THR A 99 -2.268 -12.989 -8.295 1.00 0.00 C ATOM 0 H THR A 99 -3.053 -13.894 -4.421 1.00 0.00 H new ATOM 0 HA THR A 99 -0.748 -13.662 -6.285 1.00 0.00 H new ATOM 0 HB THR A 99 -3.559 -12.608 -6.613 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.835 -14.818 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.099 -13.045 -8.998 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.846 -11.984 -8.312 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.502 -13.710 -8.581 1.00 0.00 H new ATOM 1487 N SER A 100 -0.387 -11.227 -6.183 1.00 0.00 N ATOM 1488 CA SER A 100 0.054 -9.871 -5.902 1.00 0.00 C ATOM 1489 C SER A 100 -0.648 -8.887 -6.841 1.00 0.00 C ATOM 1490 O SER A 100 -0.644 -9.073 -8.057 1.00 0.00 O ATOM 1491 CB SER A 100 1.572 -9.745 -6.040 1.00 0.00 C ATOM 1492 OG SER A 100 2.259 -10.792 -5.360 1.00 0.00 O ATOM 0 H SER A 100 0.052 -11.658 -6.996 1.00 0.00 H new ATOM 0 HA SER A 100 -0.211 -9.632 -4.872 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.842 -9.760 -7.096 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.893 -8.782 -5.642 1.00 0.00 H new ATOM 0 HG SER A 100 3.055 -10.428 -4.918 1.00 0.00 H new ATOM 1498 N SER A 101 -1.235 -7.862 -6.241 1.00 0.00 N ATOM 1499 CA SER A 101 -1.940 -6.850 -7.008 1.00 0.00 C ATOM 1500 C SER A 101 -0.938 -5.974 -7.764 1.00 0.00 C ATOM 1501 O SER A 101 0.250 -5.969 -7.446 1.00 0.00 O ATOM 1502 CB SER A 101 -2.821 -5.987 -6.103 1.00 0.00 C ATOM 1503 OG SER A 101 -2.049 -5.169 -5.228 1.00 0.00 O ATOM 0 H SER A 101 -1.237 -7.711 -5.232 1.00 0.00 H new ATOM 0 HA SER A 101 -2.587 -7.354 -7.726 1.00 0.00 H new ATOM 0 HB2 SER A 101 -3.463 -5.355 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.476 -6.630 -5.515 1.00 0.00 H new ATOM 0 HG SER A 101 -1.864 -4.310 -5.662 1.00 0.00 H new ATOM 1509 N GLU A 102 -1.455 -5.256 -8.750 1.00 0.00 N ATOM 1510 CA GLU A 102 -0.620 -4.379 -9.553 1.00 0.00 C ATOM 1511 C GLU A 102 0.279 -3.530 -8.653 1.00 0.00 C ATOM 1512 O GLU A 102 -0.211 -2.763 -7.825 1.00 0.00 O ATOM 1513 CB GLU A 102 -1.473 -3.495 -10.466 1.00 0.00 C ATOM 1514 CG GLU A 102 -1.933 -2.233 -9.733 1.00 0.00 C ATOM 1515 CD GLU A 102 -3.105 -1.572 -10.463 1.00 0.00 C ATOM 1516 OE1 GLU A 102 -2.941 -1.302 -11.672 1.00 0.00 O ATOM 1517 OE2 GLU A 102 -4.137 -1.352 -9.794 1.00 0.00 O ATOM 0 H GLU A 102 -2.441 -5.264 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 102 0.015 -4.996 -10.188 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.899 -3.218 -11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.341 -4.055 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.230 -2.487 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.104 -1.530 -9.657 1.00 0.00 H new ATOM 1524 N GLN A 103 1.580 -3.695 -8.844 1.00 0.00 N ATOM 1525 CA GLN A 103 2.552 -2.953 -8.060 1.00 0.00 C ATOM 1526 C GLN A 103 2.216 -1.461 -8.071 1.00 0.00 C ATOM 1527 O GLN A 103 1.837 -0.914 -9.105 1.00 0.00 O ATOM 1528 CB GLN A 103 3.973 -3.199 -8.572 1.00 0.00 C ATOM 1529 CG GLN A 103 4.395 -2.111 -9.561 1.00 0.00 C ATOM 1530 CD GLN A 103 5.778 -2.407 -10.145 1.00 0.00 C ATOM 1531 OE1 GLN A 103 6.686 -1.594 -10.099 1.00 0.00 O ATOM 1532 NE2 GLN A 103 5.886 -3.613 -10.694 1.00 0.00 N ATOM 0 H GLN A 103 1.983 -4.332 -9.531 1.00 0.00 H new ATOM 0 HA GLN A 103 2.506 -3.308 -7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.667 -3.221 -7.732 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.026 -4.175 -9.055 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.663 -2.043 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.408 -1.143 -9.059 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.085 -4.245 -10.698 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.770 -3.906 -11.111 1.00 0.00 H new ATOM 1541 N ILE A 104 2.366 -0.844 -6.908 1.00 0.00 N ATOM 1542 CA ILE A 104 2.083 0.574 -6.770 1.00 0.00 C ATOM 1543 C ILE A 104 3.334 1.377 -7.135 1.00 0.00 C ATOM 1544 O ILE A 104 4.441 0.840 -7.142 1.00 0.00 O ATOM 1545 CB ILE A 104 1.543 0.880 -5.372 1.00 0.00 C ATOM 1546 CG1 ILE A 104 0.663 -0.263 -4.862 1.00 0.00 C ATOM 1547 CG2 ILE A 104 0.809 2.222 -5.350 1.00 0.00 C ATOM 1548 CD1 ILE A 104 -0.348 0.241 -3.831 1.00 0.00 C ATOM 0 H ILE A 104 2.680 -1.301 -6.052 1.00 0.00 H new ATOM 0 HA ILE A 104 1.297 0.874 -7.463 1.00 0.00 H new ATOM 0 HB ILE A 104 2.389 0.964 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.136 -0.722 -5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.288 -1.036 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.435 2.416 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.495 3.017 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.027 2.191 -6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.961 -0.592 -3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.182 0.678 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.987 0.997 -4.288 1.00 0.00 H new ATOM 1560 N ARG A 105 3.116 2.650 -7.430 1.00 0.00 N ATOM 1561 CA ARG A 105 4.211 3.532 -7.795 1.00 0.00 C ATOM 1562 C ARG A 105 4.133 4.835 -6.996 1.00 0.00 C ATOM 1563 O ARG A 105 3.366 5.733 -7.340 1.00 0.00 O ATOM 1564 CB ARG A 105 4.183 3.856 -9.290 1.00 0.00 C ATOM 1565 CG ARG A 105 5.601 3.949 -9.858 1.00 0.00 C ATOM 1566 CD ARG A 105 5.629 3.540 -11.332 1.00 0.00 C ATOM 1567 NE ARG A 105 6.830 4.100 -11.989 1.00 0.00 N ATOM 1568 CZ ARG A 105 6.990 4.182 -13.317 1.00 0.00 C ATOM 1569 NH1 ARG A 105 6.027 3.741 -14.137 1.00 0.00 N ATOM 1570 NH2 ARG A 105 8.114 4.706 -13.826 1.00 0.00 N ATOM 0 H ARG A 105 2.197 3.092 -7.424 1.00 0.00 H new ATOM 0 HA ARG A 105 5.143 3.016 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 105 3.624 3.086 -9.822 1.00 0.00 H new ATOM 0 HB3 ARG A 105 3.660 4.799 -9.452 1.00 0.00 H new ATOM 0 HG2 ARG A 105 5.973 4.968 -9.753 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.269 3.305 -9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.631 2.453 -11.417 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.730 3.897 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 105 7.583 4.445 -11.394 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.171 3.342 -13.751 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.149 3.804 -15.148 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.848 5.042 -13.202 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.235 4.768 -14.837 1.00 0.00 H new ATOM 1584 N ILE A 106 4.937 4.896 -5.945 1.00 0.00 N ATOM 1585 CA ILE A 106 4.968 6.074 -5.094 1.00 0.00 C ATOM 1586 C ILE A 106 6.318 6.777 -5.253 1.00 0.00 C ATOM 1587 O ILE A 106 7.300 6.394 -4.619 1.00 0.00 O ATOM 1588 CB ILE A 106 4.636 5.700 -3.648 1.00 0.00 C ATOM 1589 CG1 ILE A 106 3.400 4.800 -3.585 1.00 0.00 C ATOM 1590 CG2 ILE A 106 4.480 6.950 -2.780 1.00 0.00 C ATOM 1591 CD1 ILE A 106 3.369 4.003 -2.279 1.00 0.00 C ATOM 0 H ILE A 106 5.572 4.149 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 106 4.200 6.785 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 106 5.471 5.129 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.499 5.408 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 106 3.400 4.115 -4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.244 6.656 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.410 7.518 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.674 7.569 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.481 3.371 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.260 3.379 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.344 4.691 -1.434 1.00 0.00 H new ATOM 1603 N PRO A 107 6.324 7.820 -6.126 1.00 0.00 N ATOM 1604 CA PRO A 107 7.537 8.579 -6.376 1.00 0.00 C ATOM 1605 C PRO A 107 7.850 9.513 -5.206 1.00 0.00 C ATOM 1606 O PRO A 107 7.094 9.577 -4.238 1.00 0.00 O ATOM 1607 CB PRO A 107 7.274 9.323 -7.676 1.00 0.00 C ATOM 1608 CG PRO A 107 5.765 9.319 -7.860 1.00 0.00 C ATOM 1609 CD PRO A 107 5.180 8.301 -6.895 1.00 0.00 C ATOM 0 HA PRO A 107 8.419 7.945 -6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.659 10.342 -7.628 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.771 8.834 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.354 10.310 -7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 107 5.506 9.063 -8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.430 8.755 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.690 7.486 -7.428 1.00 0.00 H new ATOM 1617 N ARG A 108 8.967 10.215 -5.333 1.00 0.00 N ATOM 1618 CA ARG A 108 9.390 11.142 -4.297 1.00 0.00 C ATOM 1619 C ARG A 108 8.180 11.878 -3.717 1.00 0.00 C ATOM 1620 O ARG A 108 7.195 12.108 -4.417 1.00 0.00 O ATOM 1621 CB ARG A 108 10.385 12.166 -4.847 1.00 0.00 C ATOM 1622 CG ARG A 108 11.811 11.613 -4.820 1.00 0.00 C ATOM 1623 CD ARG A 108 12.207 11.048 -6.186 1.00 0.00 C ATOM 1624 NE ARG A 108 11.994 12.069 -7.236 1.00 0.00 N ATOM 1625 CZ ARG A 108 12.074 11.822 -8.551 1.00 0.00 C ATOM 1626 NH1 ARG A 108 12.364 10.588 -8.984 1.00 0.00 N ATOM 1627 NH2 ARG A 108 11.865 12.810 -9.432 1.00 0.00 N ATOM 0 H ARG A 108 9.592 10.160 -6.137 1.00 0.00 H new ATOM 0 HA ARG A 108 9.878 10.563 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.113 12.430 -5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.335 13.081 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.506 12.403 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.888 10.832 -4.064 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.253 10.741 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.616 10.159 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 108 11.773 13.020 -6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 108 12.524 9.837 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 108 12.425 10.400 -9.985 1.00 0.00 H new ATOM 0 HH21 ARG A 108 11.645 13.750 -9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 108 11.926 12.622 -10.433 1.00 0.00 H new