USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 866 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 35 GLN : amide:sc= 0.503 K(o=3.7,f=-1.3) USER MOD Set 1.2: A 36 GLN : amide:sc= 2.1 K(o=3.7,f=-1.3!) USER MOD Set 1.3: A 116 THR OG1 : rot -152:sc= 1.14 USER MOD Set 2.1: A 68 TYR OH : rot 180:sc= 0.764 USER MOD Set 2.2: A 83 MET CE :methyl -140:sc= 0 (180deg=0) USER MOD Set 2.3: A 88 THR OG1 : rot 177:sc= 1.23 USER MOD Set 3.1: A 29 SER OG : rot 90:sc= 0 USER MOD Set 3.2: A 67 HIS : no HD1:sc= -2.38! C(o=-2.4!,f=-7.2!) USER MOD Set 4.1: A 25 SER OG : rot 180:sc= 1.08 USER MOD Set 4.2: A 48 SER OG : rot 143:sc= 1.17 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0.294 K(o=0.29,f=-0.9) USER MOD Single : A 49 GLN : amide:sc= -0.762 X(o=-0.76,f=-0.76) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc=-0.00616 K(o=-0.0062,f=-0.63) USER MOD Single : A 58 SER OG : rot -47:sc= 1.07 USER MOD Single : A 60 CYS SG : rot -48:sc= -0.0466 USER MOD Single : A 61 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-6.8!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -151:sc= 1.68 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0211 USER MOD Single : A 87 GLN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 95 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.051) USER MOD Single : A 100 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.017) USER MOD Single : A 101 GLN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 103 ASN : amide:sc= 2.29 K(o=2.3,f=-12!) USER MOD Single : A 109 CYS SG : rot 77:sc= 0.195 USER MOD Single : A 113 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-7.3!) USER MOD Single : A 114 CYS SG : rot 50:sc= 0.238 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD Single : B1141 ASN : amide:sc= -0.588 K(o=-0.59,f=-1.5) USER MOD Single : B1142 GLN : amide:sc= -0.0357 X(o=-0.036,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 248 N TRP A 19 5.763 3.738 9.118 1.00 0.00 N ATOM 249 CA TRP A 19 5.830 2.453 8.402 1.00 0.00 C ATOM 250 C TRP A 19 5.814 2.635 6.869 1.00 0.00 C ATOM 251 O TRP A 19 5.164 1.884 6.141 1.00 0.00 O ATOM 252 CB TRP A 19 4.745 1.492 8.937 1.00 0.00 C ATOM 253 CG TRP A 19 5.180 0.061 9.029 1.00 0.00 C ATOM 254 CD1 TRP A 19 4.927 -0.911 8.123 1.00 0.00 C ATOM 255 CD2 TRP A 19 5.968 -0.577 10.086 1.00 0.00 C ATOM 256 NE1 TRP A 19 5.497 -2.098 8.545 1.00 0.00 N ATOM 257 CE2 TRP A 19 6.141 -1.954 9.751 1.00 0.00 C ATOM 258 CE3 TRP A 19 6.555 -0.133 11.292 1.00 0.00 C ATOM 259 CZ2 TRP A 19 6.849 -2.847 10.569 1.00 0.00 C ATOM 260 CZ3 TRP A 19 7.272 -1.020 12.121 1.00 0.00 C ATOM 261 CH2 TRP A 19 7.418 -2.374 11.764 1.00 0.00 C ATOM 0 HA TRP A 19 6.793 1.985 8.606 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.433 1.829 9.926 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.871 1.553 8.289 1.00 0.00 H new ATOM 0 HD1 TRP A 19 4.366 -0.780 7.210 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.446 -2.974 8.025 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.453 0.902 11.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 6.955 -3.883 10.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.713 -0.658 13.038 1.00 0.00 H new ATOM 0 HH2 TRP A 19 7.966 -3.047 12.407 1.00 0.00 H new ATOM 272 N PHE A 20 6.495 3.680 6.377 1.00 0.00 N ATOM 273 CA PHE A 20 6.522 4.065 4.958 1.00 0.00 C ATOM 274 C PHE A 20 7.899 4.550 4.461 1.00 0.00 C ATOM 275 O PHE A 20 8.699 5.114 5.210 1.00 0.00 O ATOM 276 CB PHE A 20 5.409 5.090 4.670 1.00 0.00 C ATOM 277 CG PHE A 20 5.378 6.320 5.563 1.00 0.00 C ATOM 278 CD1 PHE A 20 6.251 7.400 5.325 1.00 0.00 C ATOM 279 CD2 PHE A 20 4.443 6.401 6.615 1.00 0.00 C ATOM 280 CE1 PHE A 20 6.194 8.548 6.137 1.00 0.00 C ATOM 281 CE2 PHE A 20 4.383 7.551 7.423 1.00 0.00 C ATOM 282 CZ PHE A 20 5.259 8.623 7.186 1.00 0.00 C ATOM 0 H PHE A 20 7.055 4.295 6.968 1.00 0.00 H new ATOM 0 HA PHE A 20 6.330 3.159 4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.508 5.420 3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.448 4.583 4.752 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.966 7.347 4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.770 5.577 6.801 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.868 9.372 5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.663 7.610 8.226 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.215 9.504 7.809 1.00 0.00 H new ATOM 292 N HIS A 21 8.147 4.316 3.166 1.00 0.00 N ATOM 293 CA HIS A 21 9.365 4.634 2.393 1.00 0.00 C ATOM 294 C HIS A 21 8.955 5.113 0.993 1.00 0.00 C ATOM 295 O HIS A 21 7.967 4.591 0.485 1.00 0.00 O ATOM 296 CB HIS A 21 10.201 3.342 2.285 1.00 0.00 C ATOM 297 CG HIS A 21 10.911 2.966 3.565 1.00 0.00 C ATOM 298 ND1 HIS A 21 12.117 3.517 4.010 1.00 0.00 N ATOM 299 CD2 HIS A 21 10.500 2.019 4.461 1.00 0.00 C ATOM 300 CE1 HIS A 21 12.402 2.895 5.168 1.00 0.00 C ATOM 301 NE2 HIS A 21 11.449 1.991 5.461 1.00 0.00 N ATOM 0 H HIS A 21 7.447 3.862 2.580 1.00 0.00 H new ATOM 0 HA HIS A 21 9.947 5.418 2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.548 2.521 1.988 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.940 3.464 1.493 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.608 1.413 4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 21 13.272 3.093 5.776 1.00 0.00 H new ATOM 0 HE2 HIS A 21 11.432 1.388 6.283 1.00 0.00 H new ATOM 309 N GLY A 22 9.660 6.017 0.289 1.00 0.00 N ATOM 310 CA GLY A 22 9.243 6.387 -1.056 1.00 0.00 C ATOM 311 C GLY A 22 10.409 6.557 -1.996 1.00 0.00 C ATOM 312 O GLY A 22 10.419 7.483 -2.790 1.00 0.00 O ATOM 0 H GLY A 22 10.499 6.489 0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.573 5.622 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.676 7.317 -1.014 1.00 0.00 H new ATOM 316 N ARG A 23 11.390 5.658 -1.898 1.00 0.00 N ATOM 317 CA ARG A 23 12.555 5.578 -2.800 1.00 0.00 C ATOM 318 C ARG A 23 12.937 4.110 -3.068 1.00 0.00 C ATOM 319 O ARG A 23 14.088 3.749 -3.290 1.00 0.00 O ATOM 320 CB ARG A 23 13.644 6.540 -2.236 1.00 0.00 C ATOM 321 CG ARG A 23 15.146 6.347 -2.537 1.00 0.00 C ATOM 322 CD ARG A 23 15.546 6.391 -4.021 1.00 0.00 C ATOM 323 NE ARG A 23 16.900 5.838 -4.232 1.00 0.00 N ATOM 324 CZ ARG A 23 18.060 6.466 -4.146 1.00 0.00 C ATOM 325 NH1 ARG A 23 18.155 7.728 -3.826 1.00 0.00 N ATOM 326 NH2 ARG A 23 19.170 5.827 -4.386 1.00 0.00 N ATOM 0 H ARG A 23 11.402 4.943 -1.171 1.00 0.00 H new ATOM 0 HA ARG A 23 12.356 5.934 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.383 7.543 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.538 6.532 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.705 7.119 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.459 5.388 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.825 5.825 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.512 7.420 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 23 16.945 4.848 -4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.313 8.269 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 23 19.071 8.173 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 23 19.145 4.840 -4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 23 20.064 6.314 -4.319 1.00 0.00 H new ATOM 340 N ILE A 24 11.919 3.249 -3.064 1.00 0.00 N ATOM 341 CA ILE A 24 12.044 1.810 -3.306 1.00 0.00 C ATOM 342 C ILE A 24 10.993 1.408 -4.347 1.00 0.00 C ATOM 343 O ILE A 24 9.900 0.972 -4.012 1.00 0.00 O ATOM 344 CB ILE A 24 12.043 1.054 -1.947 1.00 0.00 C ATOM 345 CG1 ILE A 24 12.459 -0.423 -2.100 1.00 0.00 C ATOM 346 CG2 ILE A 24 10.730 1.152 -1.146 1.00 0.00 C ATOM 347 CD1 ILE A 24 13.943 -0.604 -2.449 1.00 0.00 C ATOM 0 H ILE A 24 10.958 3.541 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 24 12.996 1.521 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 24 12.795 1.582 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.244 -0.952 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.851 -0.886 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.829 0.593 -0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.518 2.197 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.913 0.735 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 24 14.168 -1.666 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.158 -0.104 -3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 24 14.558 -0.171 -1.660 1.00 0.00 H new ATOM 359 N SER A 25 11.296 1.670 -5.622 1.00 0.00 N ATOM 360 CA SER A 25 10.420 1.419 -6.785 1.00 0.00 C ATOM 361 C SER A 25 9.907 -0.022 -6.826 1.00 0.00 C ATOM 362 O SER A 25 10.585 -0.926 -6.338 1.00 0.00 O ATOM 363 CB SER A 25 11.185 1.738 -8.074 1.00 0.00 C ATOM 364 OG SER A 25 11.696 3.059 -7.998 1.00 0.00 O ATOM 0 H SER A 25 12.191 2.079 -5.889 1.00 0.00 H new ATOM 0 HA SER A 25 9.549 2.068 -6.692 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.000 1.027 -8.213 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.526 1.639 -8.936 1.00 0.00 H new ATOM 0 HG SER A 25 12.188 3.267 -8.820 1.00 0.00 H new ATOM 370 N ARG A 26 8.754 -0.265 -7.464 1.00 0.00 N ATOM 371 CA ARG A 26 8.071 -1.577 -7.491 1.00 0.00 C ATOM 372 C ARG A 26 8.978 -2.774 -7.809 1.00 0.00 C ATOM 373 O ARG A 26 8.880 -3.817 -7.165 1.00 0.00 O ATOM 374 CB ARG A 26 6.844 -1.528 -8.437 1.00 0.00 C ATOM 375 CG ARG A 26 7.030 -1.333 -9.954 1.00 0.00 C ATOM 376 CD ARG A 26 7.505 0.053 -10.394 1.00 0.00 C ATOM 377 NE ARG A 26 7.356 0.254 -11.849 1.00 0.00 N ATOM 378 CZ ARG A 26 7.637 1.353 -12.524 1.00 0.00 C ATOM 379 NH1 ARG A 26 8.008 2.465 -11.957 1.00 0.00 N ATOM 380 NH2 ARG A 26 7.525 1.336 -13.815 1.00 0.00 N ATOM 0 H ARG A 26 8.256 0.455 -7.987 1.00 0.00 H new ATOM 0 HA ARG A 26 7.737 -1.754 -6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.294 -2.459 -8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.200 -0.722 -8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.747 -2.072 -10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.081 -1.545 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.937 0.816 -9.863 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.551 0.183 -10.116 1.00 0.00 H new ATOM 0 HE ARG A 26 7.000 -0.536 -12.387 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.094 2.516 -10.942 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.213 3.285 -12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.225 0.485 -14.290 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.737 2.174 -14.356 1.00 0.00 H new ATOM 394 N GLU A 27 9.909 -2.579 -8.739 1.00 0.00 N ATOM 395 CA GLU A 27 10.858 -3.602 -9.209 1.00 0.00 C ATOM 396 C GLU A 27 11.907 -3.979 -8.142 1.00 0.00 C ATOM 397 O GLU A 27 12.324 -5.133 -8.055 1.00 0.00 O ATOM 398 CB GLU A 27 11.537 -3.111 -10.501 1.00 0.00 C ATOM 399 CG GLU A 27 10.524 -2.795 -11.613 1.00 0.00 C ATOM 400 CD GLU A 27 11.223 -2.386 -12.920 1.00 0.00 C ATOM 401 OE1 GLU A 27 11.606 -1.195 -13.056 1.00 0.00 O ATOM 402 OE2 GLU A 27 11.359 -3.243 -13.826 1.00 0.00 O ATOM 0 H GLU A 27 10.033 -1.680 -9.205 1.00 0.00 H new ATOM 0 HA GLU A 27 10.294 -4.513 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.123 -2.218 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.234 -3.872 -10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.897 -3.669 -11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.864 -1.991 -11.286 1.00 0.00 H new ATOM 409 N GLU A 28 12.335 -3.013 -7.320 1.00 0.00 N ATOM 410 CA GLU A 28 13.239 -3.235 -6.180 1.00 0.00 C ATOM 411 C GLU A 28 12.478 -3.742 -4.945 1.00 0.00 C ATOM 412 O GLU A 28 12.901 -4.694 -4.290 1.00 0.00 O ATOM 413 CB GLU A 28 14.012 -1.945 -5.860 1.00 0.00 C ATOM 414 CG GLU A 28 15.018 -1.541 -6.949 1.00 0.00 C ATOM 415 CD GLU A 28 16.160 -2.567 -7.054 1.00 0.00 C ATOM 416 OE1 GLU A 28 17.088 -2.546 -6.212 1.00 0.00 O ATOM 417 OE2 GLU A 28 16.117 -3.463 -7.929 1.00 0.00 O ATOM 0 H GLU A 28 12.059 -2.037 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 28 13.952 -4.011 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.300 -1.132 -5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.543 -2.075 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.507 -1.461 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.428 -0.557 -6.723 1.00 0.00 H new ATOM 424 N SER A 29 11.320 -3.139 -4.644 1.00 0.00 N ATOM 425 CA SER A 29 10.481 -3.477 -3.484 1.00 0.00 C ATOM 426 C SER A 29 9.966 -4.916 -3.538 1.00 0.00 C ATOM 427 O SER A 29 9.971 -5.601 -2.516 1.00 0.00 O ATOM 428 CB SER A 29 9.328 -2.469 -3.400 1.00 0.00 C ATOM 429 OG SER A 29 8.511 -2.718 -2.272 1.00 0.00 O ATOM 0 H SER A 29 10.931 -2.386 -5.212 1.00 0.00 H new ATOM 0 HA SER A 29 11.089 -3.414 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.730 -1.457 -3.345 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.726 -2.524 -4.307 1.00 0.00 H new ATOM 0 HG SER A 29 8.852 -2.214 -1.504 1.00 0.00 H new ATOM 435 N GLN A 30 9.633 -5.444 -4.723 1.00 0.00 N ATOM 436 CA GLN A 30 9.162 -6.833 -4.845 1.00 0.00 C ATOM 437 C GLN A 30 10.231 -7.896 -4.517 1.00 0.00 C ATOM 438 O GLN A 30 9.879 -9.040 -4.238 1.00 0.00 O ATOM 439 CB GLN A 30 8.469 -7.053 -6.198 1.00 0.00 C ATOM 440 CG GLN A 30 9.395 -7.142 -7.418 1.00 0.00 C ATOM 441 CD GLN A 30 8.636 -7.057 -8.746 1.00 0.00 C ATOM 442 OE1 GLN A 30 9.183 -6.677 -9.772 1.00 0.00 O ATOM 443 NE2 GLN A 30 7.369 -7.412 -8.808 1.00 0.00 N ATOM 0 H GLN A 30 9.680 -4.936 -5.606 1.00 0.00 H new ATOM 0 HA GLN A 30 8.414 -6.981 -4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.886 -7.972 -6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.764 -6.238 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.128 -6.337 -7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.949 -8.080 -7.381 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.888 -7.733 -7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.869 -7.366 -9.696 1.00 0.00 H new ATOM 452 N ARG A 31 11.523 -7.530 -4.487 1.00 0.00 N ATOM 453 CA ARG A 31 12.617 -8.431 -4.069 1.00 0.00 C ATOM 454 C ARG A 31 12.703 -8.542 -2.538 1.00 0.00 C ATOM 455 O ARG A 31 12.957 -9.621 -2.011 1.00 0.00 O ATOM 456 CB ARG A 31 13.930 -7.943 -4.712 1.00 0.00 C ATOM 457 CG ARG A 31 15.092 -8.933 -4.521 1.00 0.00 C ATOM 458 CD ARG A 31 16.335 -8.540 -5.334 1.00 0.00 C ATOM 459 NE ARG A 31 16.899 -7.244 -4.900 1.00 0.00 N ATOM 460 CZ ARG A 31 16.864 -6.088 -5.544 1.00 0.00 C ATOM 461 NH1 ARG A 31 16.282 -5.937 -6.697 1.00 0.00 N ATOM 462 NH2 ARG A 31 17.417 -5.029 -5.032 1.00 0.00 N ATOM 0 H ARG A 31 11.842 -6.598 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 31 12.418 -9.444 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 31 13.769 -7.781 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.204 -6.980 -4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.353 -8.983 -3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.768 -9.931 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.093 -9.316 -5.233 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.074 -8.485 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 31 17.372 -7.240 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.825 -6.731 -7.145 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.283 -5.025 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.883 -5.084 -4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.385 -4.143 -5.536 1.00 0.00 H new ATOM 476 N LEU A 32 12.426 -7.441 -1.827 1.00 0.00 N ATOM 477 CA LEU A 32 12.442 -7.352 -0.356 1.00 0.00 C ATOM 478 C LEU A 32 11.128 -7.841 0.280 1.00 0.00 C ATOM 479 O LEU A 32 11.140 -8.625 1.229 1.00 0.00 O ATOM 480 CB LEU A 32 12.725 -5.886 0.018 1.00 0.00 C ATOM 481 CG LEU A 32 14.137 -5.417 -0.389 1.00 0.00 C ATOM 482 CD1 LEU A 32 14.102 -3.925 -0.699 1.00 0.00 C ATOM 483 CD2 LEU A 32 15.159 -5.691 0.713 1.00 0.00 C ATOM 0 H LEU A 32 12.176 -6.558 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 32 13.220 -8.008 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.984 -5.246 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.604 -5.762 1.094 1.00 0.00 H new ATOM 0 HG LEU A 32 14.442 -5.977 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.098 -3.590 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.406 -3.740 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.776 -3.377 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.142 -5.348 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.868 -5.160 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.197 -6.761 0.916 1.00 0.00 H new ATOM 495 N ILE A 33 9.981 -7.421 -0.267 1.00 0.00 N ATOM 496 CA ILE A 33 8.641 -7.818 0.218 1.00 0.00 C ATOM 497 C ILE A 33 8.247 -9.225 -0.307 1.00 0.00 C ATOM 498 O ILE A 33 7.297 -9.841 0.173 1.00 0.00 O ATOM 499 CB ILE A 33 7.616 -6.678 -0.062 1.00 0.00 C ATOM 500 CG1 ILE A 33 7.797 -5.445 0.865 1.00 0.00 C ATOM 501 CG2 ILE A 33 6.151 -7.111 0.135 1.00 0.00 C ATOM 502 CD1 ILE A 33 9.158 -4.735 0.845 1.00 0.00 C ATOM 0 H ILE A 33 9.950 -6.789 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 33 8.648 -7.938 1.301 1.00 0.00 H new ATOM 0 HB ILE A 33 7.820 -6.426 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.032 -4.713 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.598 -5.762 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.491 -6.269 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.920 -7.932 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.004 -7.438 1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.140 -3.895 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.938 -5.435 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.363 -4.370 -0.161 1.00 0.00 H new ATOM 514 N GLY A 34 9.041 -9.817 -1.213 1.00 0.00 N ATOM 515 CA GLY A 34 8.725 -11.092 -1.875 1.00 0.00 C ATOM 516 C GLY A 34 9.361 -12.344 -1.278 1.00 0.00 C ATOM 517 O GLY A 34 9.086 -13.441 -1.767 1.00 0.00 O ATOM 0 H GLY A 34 9.932 -9.418 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.643 -11.222 -1.867 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.029 -11.019 -2.919 1.00 0.00 H new ATOM 521 N GLN A 35 10.172 -12.217 -0.218 1.00 0.00 N ATOM 522 CA GLN A 35 10.719 -13.388 0.493 1.00 0.00 C ATOM 523 C GLN A 35 9.731 -13.904 1.564 1.00 0.00 C ATOM 524 O GLN A 35 9.976 -14.934 2.196 1.00 0.00 O ATOM 525 CB GLN A 35 12.164 -13.133 0.969 1.00 0.00 C ATOM 526 CG GLN A 35 12.371 -12.086 2.076 1.00 0.00 C ATOM 527 CD GLN A 35 12.001 -12.594 3.467 1.00 0.00 C ATOM 528 OE1 GLN A 35 10.929 -12.312 3.984 1.00 0.00 O ATOM 529 NE2 GLN A 35 12.851 -13.358 4.121 1.00 0.00 N ATOM 0 H GLN A 35 10.465 -11.319 0.167 1.00 0.00 H new ATOM 0 HA GLN A 35 10.817 -14.223 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.575 -14.080 1.320 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.755 -12.830 0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.415 -11.771 2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.773 -11.204 1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.748 -13.600 3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.612 -13.708 5.049 1.00 0.00 H new ATOM 538 N GLN A 36 8.600 -13.202 1.749 1.00 0.00 N ATOM 539 CA GLN A 36 7.496 -13.575 2.623 1.00 0.00 C ATOM 540 C GLN A 36 6.581 -14.637 1.969 1.00 0.00 C ATOM 541 O GLN A 36 6.465 -14.698 0.742 1.00 0.00 O ATOM 542 CB GLN A 36 6.683 -12.332 3.047 1.00 0.00 C ATOM 543 CG GLN A 36 7.403 -11.407 4.046 1.00 0.00 C ATOM 544 CD GLN A 36 8.025 -10.171 3.399 1.00 0.00 C ATOM 545 OE1 GLN A 36 7.407 -9.121 3.284 1.00 0.00 O ATOM 546 NE2 GLN A 36 9.274 -10.252 2.998 1.00 0.00 N ATOM 0 H GLN A 36 8.432 -12.319 1.267 1.00 0.00 H new ATOM 0 HA GLN A 36 7.927 -14.023 3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.431 -11.757 2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.743 -12.662 3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.693 -11.088 4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.184 -11.973 4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.785 -11.129 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.732 -9.438 2.589 1.00 0.00 H new ATOM 555 N GLY A 37 5.909 -15.456 2.789 1.00 0.00 N ATOM 556 CA GLY A 37 5.021 -16.551 2.342 1.00 0.00 C ATOM 557 C GLY A 37 3.700 -16.679 3.121 1.00 0.00 C ATOM 558 O GLY A 37 3.128 -17.770 3.184 1.00 0.00 O ATOM 0 H GLY A 37 5.965 -15.379 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.790 -16.403 1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.564 -17.493 2.420 1.00 0.00 H new ATOM 562 N LEU A 38 3.254 -15.596 3.768 1.00 0.00 N ATOM 563 CA LEU A 38 2.026 -15.532 4.579 1.00 0.00 C ATOM 564 C LEU A 38 0.759 -15.337 3.703 1.00 0.00 C ATOM 565 O LEU A 38 0.810 -15.444 2.474 1.00 0.00 O ATOM 566 CB LEU A 38 2.199 -14.406 5.627 1.00 0.00 C ATOM 567 CG LEU A 38 3.228 -14.586 6.767 1.00 0.00 C ATOM 568 CD1 LEU A 38 3.023 -15.891 7.536 1.00 0.00 C ATOM 569 CD2 LEU A 38 4.690 -14.509 6.319 1.00 0.00 C ATOM 0 H LEU A 38 3.754 -14.707 3.742 1.00 0.00 H new ATOM 0 HA LEU A 38 1.874 -16.481 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.462 -13.495 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.226 -14.235 6.088 1.00 0.00 H new ATOM 0 HG LEU A 38 3.036 -13.735 7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.771 -15.969 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.027 -15.900 7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.125 -16.735 6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.342 -14.646 7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.888 -15.292 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.882 -13.535 5.869 1.00 0.00 H new ATOM 581 N VAL A 39 -0.391 -15.069 4.345 1.00 0.00 N ATOM 582 CA VAL A 39 -1.672 -14.724 3.684 1.00 0.00 C ATOM 583 C VAL A 39 -1.510 -13.536 2.744 1.00 0.00 C ATOM 584 O VAL A 39 -0.617 -12.712 2.946 1.00 0.00 O ATOM 585 CB VAL A 39 -2.811 -14.471 4.696 1.00 0.00 C ATOM 586 CG1 VAL A 39 -3.156 -15.752 5.463 1.00 0.00 C ATOM 587 CG2 VAL A 39 -2.518 -13.350 5.702 1.00 0.00 C ATOM 0 H VAL A 39 -0.463 -15.085 5.362 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.957 -15.593 3.092 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.659 -14.147 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.961 -15.548 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.476 -16.522 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.277 -16.099 6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.366 -13.236 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.628 -13.602 6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.352 -12.415 5.167 1.00 0.00 H new ATOM 597 N ASP A 40 -2.416 -13.423 1.757 1.00 0.00 N ATOM 598 CA ASP A 40 -2.413 -12.379 0.725 1.00 0.00 C ATOM 599 C ASP A 40 -2.195 -10.948 1.230 1.00 0.00 C ATOM 600 O ASP A 40 -1.771 -10.046 0.501 1.00 0.00 O ATOM 601 CB ASP A 40 -3.783 -12.349 0.034 1.00 0.00 C ATOM 602 CG ASP A 40 -4.003 -13.544 -0.883 1.00 0.00 C ATOM 603 OD1 ASP A 40 -3.635 -13.417 -2.071 1.00 0.00 O ATOM 604 OD2 ASP A 40 -4.551 -14.564 -0.403 1.00 0.00 O ATOM 0 H ASP A 40 -3.192 -14.077 1.655 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.577 -12.647 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.567 -12.327 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.874 -11.430 -0.545 1.00 0.00 H new ATOM 609 N GLY A 41 -2.540 -10.775 2.497 1.00 0.00 N ATOM 610 CA GLY A 41 -2.566 -9.513 3.216 1.00 0.00 C ATOM 611 C GLY A 41 -1.409 -9.141 4.135 1.00 0.00 C ATOM 612 O GLY A 41 -1.646 -8.634 5.226 1.00 0.00 O ATOM 0 H GLY A 41 -2.826 -11.559 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.661 -8.719 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.476 -9.500 3.817 1.00 0.00 H new ATOM 616 N LEU A 42 -0.166 -9.361 3.706 1.00 0.00 N ATOM 617 CA LEU A 42 1.039 -8.914 4.423 1.00 0.00 C ATOM 618 C LEU A 42 1.633 -7.770 3.587 1.00 0.00 C ATOM 619 O LEU A 42 2.637 -7.934 2.899 1.00 0.00 O ATOM 620 CB LEU A 42 1.995 -10.088 4.738 1.00 0.00 C ATOM 621 CG LEU A 42 1.854 -10.715 6.139 1.00 0.00 C ATOM 622 CD1 LEU A 42 2.177 -9.735 7.266 1.00 0.00 C ATOM 623 CD2 LEU A 42 0.471 -11.316 6.384 1.00 0.00 C ATOM 0 H LEU A 42 0.040 -9.860 2.841 1.00 0.00 H new ATOM 0 HA LEU A 42 0.815 -8.531 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.837 -10.869 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.020 -9.738 4.620 1.00 0.00 H new ATOM 0 HG LEU A 42 2.592 -11.517 6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.060 -10.235 8.228 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.204 -9.386 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.498 -8.884 7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.432 -11.742 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.286 -10.537 6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.279 -12.098 5.649 1.00 0.00 H new ATOM 635 N PHE A 43 1.007 -6.593 3.654 1.00 0.00 N ATOM 636 CA PHE A 43 1.354 -5.454 2.804 1.00 0.00 C ATOM 637 C PHE A 43 2.276 -4.372 3.411 1.00 0.00 C ATOM 638 O PHE A 43 2.608 -4.404 4.595 1.00 0.00 O ATOM 639 CB PHE A 43 0.020 -4.924 2.221 1.00 0.00 C ATOM 640 CG PHE A 43 -0.919 -4.003 3.026 1.00 0.00 C ATOM 641 CD1 PHE A 43 -0.555 -3.339 4.222 1.00 0.00 C ATOM 642 CD2 PHE A 43 -2.215 -3.766 2.520 1.00 0.00 C ATOM 643 CE1 PHE A 43 -1.433 -2.455 4.870 1.00 0.00 C ATOM 644 CE2 PHE A 43 -3.112 -2.902 3.178 1.00 0.00 C ATOM 645 CZ PHE A 43 -2.715 -2.233 4.346 1.00 0.00 C ATOM 0 H PHE A 43 0.242 -6.403 4.302 1.00 0.00 H new ATOM 0 HA PHE A 43 2.018 -5.803 2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.268 -4.393 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.566 -5.797 1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.422 -3.517 4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.525 -4.257 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.122 -1.947 5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.106 -2.754 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.393 -1.551 4.838 1.00 0.00 H new ATOM 655 N LEU A 44 2.732 -3.423 2.587 1.00 0.00 N ATOM 656 CA LEU A 44 3.516 -2.236 2.983 1.00 0.00 C ATOM 657 C LEU A 44 3.076 -1.012 2.159 1.00 0.00 C ATOM 658 O LEU A 44 2.852 -1.148 0.957 1.00 0.00 O ATOM 659 CB LEU A 44 5.030 -2.537 2.854 1.00 0.00 C ATOM 660 CG LEU A 44 6.000 -1.366 3.127 1.00 0.00 C ATOM 661 CD1 LEU A 44 5.907 -0.906 4.579 1.00 0.00 C ATOM 662 CD2 LEU A 44 7.434 -1.815 2.855 1.00 0.00 C ATOM 0 H LEU A 44 2.561 -3.457 1.582 1.00 0.00 H new ATOM 0 HA LEU A 44 3.326 -1.996 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.275 -3.348 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.218 -2.906 1.846 1.00 0.00 H new ATOM 0 HG LEU A 44 5.725 -0.540 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.600 -0.081 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.891 -0.574 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.164 -1.734 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.117 -0.988 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.683 -2.651 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.527 -2.127 1.815 1.00 0.00 H new ATOM 674 N VAL A 45 3.026 0.189 2.746 1.00 0.00 N ATOM 675 CA VAL A 45 2.721 1.441 2.021 1.00 0.00 C ATOM 676 C VAL A 45 4.047 2.137 1.710 1.00 0.00 C ATOM 677 O VAL A 45 4.615 2.860 2.527 1.00 0.00 O ATOM 678 CB VAL A 45 1.764 2.375 2.803 1.00 0.00 C ATOM 679 CG1 VAL A 45 1.248 3.499 1.890 1.00 0.00 C ATOM 680 CG2 VAL A 45 0.532 1.654 3.365 1.00 0.00 C ATOM 0 H VAL A 45 3.196 0.327 3.742 1.00 0.00 H new ATOM 0 HA VAL A 45 2.191 1.195 1.100 1.00 0.00 H new ATOM 0 HB VAL A 45 2.355 2.762 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.577 4.147 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.091 4.083 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.710 3.065 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.094 2.367 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.037 1.214 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.851 0.867 4.048 1.00 0.00 H new ATOM 690 N ARG A 46 4.567 1.859 0.513 1.00 0.00 N ATOM 691 CA ARG A 46 5.767 2.485 -0.059 1.00 0.00 C ATOM 692 C ARG A 46 5.444 3.094 -1.388 1.00 0.00 C ATOM 693 O ARG A 46 4.438 2.769 -1.993 1.00 0.00 O ATOM 694 CB ARG A 46 6.961 1.497 -0.143 1.00 0.00 C ATOM 695 CG ARG A 46 6.781 0.134 -0.866 1.00 0.00 C ATOM 696 CD ARG A 46 6.273 0.067 -2.327 1.00 0.00 C ATOM 697 NE ARG A 46 6.997 0.949 -3.272 1.00 0.00 N ATOM 698 CZ ARG A 46 6.858 1.115 -4.573 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.147 0.384 -5.364 1.00 0.00 N ATOM 700 NH2 ARG A 46 7.473 2.105 -5.128 1.00 0.00 N ATOM 0 H ARG A 46 4.151 1.167 -0.110 1.00 0.00 H new ATOM 0 HA ARG A 46 6.087 3.282 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.783 2.020 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.281 1.285 0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.747 -0.371 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.095 -0.460 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.351 -0.962 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.215 0.330 -2.343 1.00 0.00 H new ATOM 0 HE ARG A 46 7.724 1.523 -2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.625 -0.410 -4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.107 0.600 -6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.046 2.731 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.386 2.261 -6.132 1.00 0.00 H new ATOM 714 N GLU A 47 6.298 3.992 -1.838 1.00 0.00 N ATOM 715 CA GLU A 47 6.187 4.582 -3.153 1.00 0.00 C ATOM 716 C GLU A 47 7.591 4.731 -3.705 1.00 0.00 C ATOM 717 O GLU A 47 8.515 4.029 -3.280 1.00 0.00 O ATOM 718 CB GLU A 47 5.323 5.866 -3.096 1.00 0.00 C ATOM 719 CG GLU A 47 5.796 6.966 -2.122 1.00 0.00 C ATOM 720 CD GLU A 47 5.440 6.725 -0.651 1.00 0.00 C ATOM 721 OE1 GLU A 47 4.539 5.997 -0.246 1.00 0.00 O ATOM 722 OE2 GLU A 47 6.209 7.406 0.226 1.00 0.00 O ATOM 0 H GLU A 47 7.092 4.333 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 47 5.647 3.952 -3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.278 6.293 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.306 5.582 -2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.878 7.065 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.364 7.917 -2.434 1.00 0.00 H new ATOM 730 N SER A 48 7.766 5.609 -4.662 1.00 0.00 N ATOM 731 CA SER A 48 9.057 5.932 -5.195 1.00 0.00 C ATOM 732 C SER A 48 9.147 7.421 -5.459 1.00 0.00 C ATOM 733 O SER A 48 8.162 8.144 -5.616 1.00 0.00 O ATOM 734 CB SER A 48 9.306 5.156 -6.481 1.00 0.00 C ATOM 735 OG SER A 48 10.698 5.224 -6.730 1.00 0.00 O ATOM 0 H SER A 48 7.000 6.125 -5.096 1.00 0.00 H new ATOM 0 HA SER A 48 9.819 5.653 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.981 4.121 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.743 5.587 -7.309 1.00 0.00 H new ATOM 0 HG SER A 48 11.006 4.371 -7.101 1.00 0.00 H new ATOM 741 N GLN A 49 10.397 7.812 -5.609 1.00 0.00 N ATOM 742 CA GLN A 49 10.835 9.132 -5.999 1.00 0.00 C ATOM 743 C GLN A 49 11.081 9.090 -7.549 1.00 0.00 C ATOM 744 O GLN A 49 11.579 10.046 -8.147 1.00 0.00 O ATOM 745 CB GLN A 49 11.978 9.511 -5.022 1.00 0.00 C ATOM 746 CG GLN A 49 13.313 8.771 -5.213 1.00 0.00 C ATOM 747 CD GLN A 49 14.046 9.052 -6.527 1.00 0.00 C ATOM 748 OE1 GLN A 49 14.578 10.131 -6.756 1.00 0.00 O ATOM 749 NE2 GLN A 49 14.125 8.087 -7.422 1.00 0.00 N ATOM 0 H GLN A 49 11.179 7.176 -5.452 1.00 0.00 H new ATOM 0 HA GLN A 49 10.133 9.959 -5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.164 10.581 -5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.631 9.333 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.974 9.033 -4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.126 7.699 -5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.685 7.185 -7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.626 8.242 -8.297 1.00 0.00 H new ATOM 758 N ARG A 50 10.608 7.987 -8.190 1.00 0.00 N ATOM 759 CA ARG A 50 10.545 7.636 -9.626 1.00 0.00 C ATOM 760 C ARG A 50 9.138 7.969 -10.143 1.00 0.00 C ATOM 761 O ARG A 50 9.024 8.975 -10.842 1.00 0.00 O ATOM 762 CB ARG A 50 10.932 6.155 -9.830 1.00 0.00 C ATOM 763 CG ARG A 50 10.811 5.645 -11.278 1.00 0.00 C ATOM 764 CD ARG A 50 11.311 4.197 -11.351 1.00 0.00 C ATOM 765 NE ARG A 50 11.212 3.638 -12.716 1.00 0.00 N ATOM 766 CZ ARG A 50 11.340 2.365 -13.058 1.00 0.00 C ATOM 767 NH1 ARG A 50 11.595 1.431 -12.192 1.00 0.00 N ATOM 768 NH2 ARG A 50 11.212 1.982 -14.293 1.00 0.00 N ATOM 0 H ARG A 50 10.212 7.229 -7.634 1.00 0.00 H new ATOM 0 HA ARG A 50 11.263 8.218 -10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.960 6.014 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.301 5.539 -9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.774 5.701 -11.609 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.394 6.277 -11.948 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.348 4.156 -11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.731 3.580 -10.665 1.00 0.00 H new ATOM 0 HE ARG A 50 11.026 4.299 -13.470 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.704 1.666 -11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.686 0.462 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.009 2.667 -15.021 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.315 0.996 -14.535 1.00 0.00 H new ATOM 782 N ASN A 51 8.070 7.203 -9.823 1.00 0.00 N ATOM 783 CA ASN A 51 6.712 7.613 -10.212 1.00 0.00 C ATOM 784 C ASN A 51 6.390 9.003 -9.594 1.00 0.00 C ATOM 785 O ASN A 51 6.418 9.131 -8.366 1.00 0.00 O ATOM 786 CB ASN A 51 5.684 6.553 -9.764 1.00 0.00 C ATOM 787 CG ASN A 51 5.066 5.874 -10.970 1.00 0.00 C ATOM 788 OD1 ASN A 51 4.162 6.398 -11.608 1.00 0.00 O ATOM 789 ND2 ASN A 51 5.592 4.745 -11.368 1.00 0.00 N ATOM 0 H ASN A 51 8.123 6.323 -9.311 1.00 0.00 H new ATOM 0 HA ASN A 51 6.655 7.695 -11.297 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.170 5.811 -9.130 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.905 7.023 -9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.249 4.294 -12.216 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.345 4.316 -10.830 1.00 0.00 H new ATOM 796 N PRO A 52 6.081 10.050 -10.389 1.00 0.00 N ATOM 797 CA PRO A 52 6.002 11.435 -9.894 1.00 0.00 C ATOM 798 C PRO A 52 4.743 11.729 -9.052 1.00 0.00 C ATOM 799 O PRO A 52 4.665 12.752 -8.373 1.00 0.00 O ATOM 800 CB PRO A 52 6.060 12.303 -11.156 1.00 0.00 C ATOM 801 CG PRO A 52 5.431 11.415 -12.229 1.00 0.00 C ATOM 802 CD PRO A 52 5.920 10.023 -11.838 1.00 0.00 C ATOM 0 HA PRO A 52 6.819 11.642 -9.202 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.506 13.233 -11.029 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.085 12.574 -11.410 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.343 11.479 -12.222 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.760 11.694 -13.230 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.203 9.258 -12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.863 9.787 -12.332 1.00 0.00 H new ATOM 810 N GLN A 53 3.760 10.825 -9.107 1.00 0.00 N ATOM 811 CA GLN A 53 2.434 10.917 -8.490 1.00 0.00 C ATOM 812 C GLN A 53 2.165 9.685 -7.605 1.00 0.00 C ATOM 813 O GLN A 53 1.002 9.306 -7.452 1.00 0.00 O ATOM 814 CB GLN A 53 1.396 11.102 -9.620 1.00 0.00 C ATOM 815 CG GLN A 53 1.564 12.444 -10.364 1.00 0.00 C ATOM 816 CD GLN A 53 0.654 12.605 -11.586 1.00 0.00 C ATOM 817 OE1 GLN A 53 0.144 11.658 -12.172 1.00 0.00 O ATOM 818 NE2 GLN A 53 0.430 13.822 -12.039 1.00 0.00 N ATOM 0 H GLN A 53 3.878 9.951 -9.619 1.00 0.00 H new ATOM 0 HA GLN A 53 2.366 11.776 -7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.489 10.282 -10.332 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.392 11.047 -9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.366 13.259 -9.668 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.602 12.542 -10.683 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.844 14.626 -11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.158 13.960 -12.861 1.00 0.00 H new ATOM 827 N GLY A 54 3.191 9.064 -6.982 1.00 0.00 N ATOM 828 CA GLY A 54 2.982 7.802 -6.259 1.00 0.00 C ATOM 829 C GLY A 54 2.775 7.747 -4.746 1.00 0.00 C ATOM 830 O GLY A 54 3.495 8.337 -3.948 1.00 0.00 O ATOM 0 H GLY A 54 4.150 9.411 -6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.112 7.324 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.843 7.170 -6.479 1.00 0.00 H new ATOM 834 N PHE A 55 1.732 6.977 -4.420 1.00 0.00 N ATOM 835 CA PHE A 55 1.213 6.528 -3.117 1.00 0.00 C ATOM 836 C PHE A 55 0.667 5.075 -3.261 1.00 0.00 C ATOM 837 O PHE A 55 -0.539 4.867 -3.367 1.00 0.00 O ATOM 838 CB PHE A 55 0.129 7.522 -2.641 1.00 0.00 C ATOM 839 CG PHE A 55 0.532 8.987 -2.694 1.00 0.00 C ATOM 840 CD1 PHE A 55 1.215 9.577 -1.613 1.00 0.00 C ATOM 841 CD2 PHE A 55 0.261 9.750 -3.849 1.00 0.00 C ATOM 842 CE1 PHE A 55 1.632 10.920 -1.693 1.00 0.00 C ATOM 843 CE2 PHE A 55 0.694 11.086 -3.935 1.00 0.00 C ATOM 844 CZ PHE A 55 1.376 11.672 -2.854 1.00 0.00 C ATOM 0 H PHE A 55 1.149 6.600 -5.168 1.00 0.00 H new ATOM 0 HA PHE A 55 2.000 6.510 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.763 7.384 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.146 7.273 -1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.419 9.000 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.281 9.307 -4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.150 11.374 -0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.503 11.660 -4.830 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.703 12.699 -2.915 1.00 0.00 H new ATOM 854 N VAL A 56 1.532 4.056 -3.323 1.00 0.00 N ATOM 855 CA VAL A 56 1.218 2.632 -3.573 1.00 0.00 C ATOM 856 C VAL A 56 1.121 1.807 -2.291 1.00 0.00 C ATOM 857 O VAL A 56 1.697 2.108 -1.247 1.00 0.00 O ATOM 858 CB VAL A 56 2.248 1.957 -4.570 1.00 0.00 C ATOM 859 CG1 VAL A 56 3.407 2.876 -5.015 1.00 0.00 C ATOM 860 CG2 VAL A 56 2.961 0.707 -4.049 1.00 0.00 C ATOM 0 H VAL A 56 2.533 4.206 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 56 0.233 2.636 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 56 1.569 1.712 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.062 2.332 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.003 3.751 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.975 3.194 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.641 0.331 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.527 0.958 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.224 -0.059 -3.810 1.00 0.00 H new ATOM 870 N LEU A 57 0.354 0.727 -2.416 1.00 0.00 N ATOM 871 CA LEU A 57 0.200 -0.323 -1.426 1.00 0.00 C ATOM 872 C LEU A 57 0.879 -1.541 -2.067 1.00 0.00 C ATOM 873 O LEU A 57 0.659 -1.812 -3.242 1.00 0.00 O ATOM 874 CB LEU A 57 -1.290 -0.525 -1.080 1.00 0.00 C ATOM 875 CG LEU A 57 -1.610 -0.221 0.389 1.00 0.00 C ATOM 876 CD1 LEU A 57 -3.093 -0.481 0.651 1.00 0.00 C ATOM 877 CD2 LEU A 57 -0.779 -1.100 1.322 1.00 0.00 C ATOM 0 H LEU A 57 -0.202 0.557 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 57 0.659 -0.102 -0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.896 0.117 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.573 -1.554 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.369 0.824 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.321 -0.265 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.694 0.161 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.323 -1.525 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.024 -0.865 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.000 -2.149 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.281 -0.914 1.149 1.00 0.00 H new ATOM 889 N SER A 58 1.751 -2.244 -1.358 1.00 0.00 N ATOM 890 CA SER A 58 2.541 -3.353 -1.915 1.00 0.00 C ATOM 891 C SER A 58 2.032 -4.576 -1.197 1.00 0.00 C ATOM 892 O SER A 58 2.219 -4.689 0.007 1.00 0.00 O ATOM 893 CB SER A 58 4.044 -3.081 -1.798 1.00 0.00 C ATOM 894 OG SER A 58 4.469 -2.797 -0.484 1.00 0.00 O ATOM 0 H SER A 58 1.938 -2.066 -0.371 1.00 0.00 H new ATOM 0 HA SER A 58 2.418 -3.491 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.591 -3.948 -2.168 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.304 -2.242 -2.443 1.00 0.00 H new ATOM 0 HG SER A 58 3.867 -2.137 -0.081 1.00 0.00 H new ATOM 900 N LEU A 59 1.384 -5.480 -1.922 1.00 0.00 N ATOM 901 CA LEU A 59 0.689 -6.629 -1.345 1.00 0.00 C ATOM 902 C LEU A 59 1.535 -7.903 -1.376 1.00 0.00 C ATOM 903 O LEU A 59 2.379 -8.074 -2.252 1.00 0.00 O ATOM 904 CB LEU A 59 -0.658 -6.794 -2.094 1.00 0.00 C ATOM 905 CG LEU A 59 -1.417 -5.491 -2.459 1.00 0.00 C ATOM 906 CD1 LEU A 59 -2.754 -5.840 -3.098 1.00 0.00 C ATOM 907 CD2 LEU A 59 -1.731 -4.597 -1.263 1.00 0.00 C ATOM 0 H LEU A 59 1.325 -5.437 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 59 0.501 -6.449 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.470 -7.347 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.315 -7.410 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.751 -4.950 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.285 -4.923 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.584 -6.425 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.352 -6.422 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.262 -3.708 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.354 -5.143 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.802 -4.301 -0.776 1.00 0.00 H new ATOM 919 N CYS A 60 1.270 -8.818 -0.438 1.00 0.00 N ATOM 920 CA CYS A 60 2.024 -10.083 -0.312 1.00 0.00 C ATOM 921 C CYS A 60 1.027 -11.187 -0.613 1.00 0.00 C ATOM 922 O CYS A 60 0.640 -11.982 0.241 1.00 0.00 O ATOM 923 CB CYS A 60 2.727 -10.224 1.043 1.00 0.00 C ATOM 924 SG CYS A 60 3.580 -11.823 1.147 1.00 0.00 S ATOM 0 H CYS A 60 0.531 -8.709 0.256 1.00 0.00 H new ATOM 0 HA CYS A 60 2.855 -10.126 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.443 -9.413 1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.998 -10.140 1.849 1.00 0.00 H new ATOM 0 HG CYS A 60 2.774 -12.770 0.769 1.00 0.00 H new ATOM 930 N HIS A 61 0.557 -11.136 -1.856 1.00 0.00 N ATOM 931 CA HIS A 61 -0.500 -11.978 -2.376 1.00 0.00 C ATOM 932 C HIS A 61 -0.089 -13.466 -2.464 1.00 0.00 C ATOM 933 O HIS A 61 0.988 -13.874 -2.019 1.00 0.00 O ATOM 934 CB HIS A 61 -1.013 -11.276 -3.638 1.00 0.00 C ATOM 935 CG HIS A 61 -1.495 -12.071 -4.829 1.00 0.00 C ATOM 936 ND1 HIS A 61 -0.681 -12.577 -5.847 1.00 0.00 N ATOM 937 CD2 HIS A 61 -2.787 -12.407 -5.099 1.00 0.00 C ATOM 938 CE1 HIS A 61 -1.509 -13.176 -6.719 1.00 0.00 C ATOM 939 NE2 HIS A 61 -2.777 -13.093 -6.292 1.00 0.00 N ATOM 0 H HIS A 61 0.919 -10.481 -2.549 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.352 -12.078 -1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.835 -10.629 -3.332 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.211 -10.627 -3.991 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.652 -12.179 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.197 -13.656 -7.635 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -3.594 -13.473 -6.769 1.00 0.00 H new ATOM 947 N LEU A 62 -0.930 -14.272 -3.101 1.00 0.00 N ATOM 948 CA LEU A 62 -0.789 -15.746 -3.177 1.00 0.00 C ATOM 949 C LEU A 62 -0.154 -16.367 -4.376 1.00 0.00 C ATOM 950 O LEU A 62 -0.093 -17.596 -4.470 1.00 0.00 O ATOM 951 CB LEU A 62 -1.993 -16.496 -2.560 1.00 0.00 C ATOM 952 CG LEU A 62 -3.070 -17.000 -3.548 1.00 0.00 C ATOM 953 CD1 LEU A 62 -4.260 -17.567 -2.774 1.00 0.00 C ATOM 954 CD2 LEU A 62 -3.589 -15.941 -4.519 1.00 0.00 C ATOM 0 H LEU A 62 -1.752 -13.924 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 62 0.056 -15.922 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.613 -17.353 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.474 -15.835 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.574 -17.763 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.015 -17.920 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.927 -18.397 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.688 -16.788 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.340 -16.384 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.035 -15.120 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.762 -15.562 -5.120 1.00 0.00 H new ATOM 966 N GLN A 63 0.390 -15.510 -5.230 1.00 0.00 N ATOM 967 CA GLN A 63 1.209 -16.015 -6.307 1.00 0.00 C ATOM 968 C GLN A 63 2.410 -15.119 -6.599 1.00 0.00 C ATOM 969 O GLN A 63 3.450 -15.616 -7.041 1.00 0.00 O ATOM 970 CB GLN A 63 0.436 -16.376 -7.595 1.00 0.00 C ATOM 971 CG GLN A 63 -0.714 -17.384 -7.445 1.00 0.00 C ATOM 972 CD GLN A 63 -1.361 -17.709 -8.792 1.00 0.00 C ATOM 973 OE1 GLN A 63 -2.353 -17.115 -9.196 1.00 0.00 O ATOM 974 NE2 GLN A 63 -0.823 -18.644 -9.548 1.00 0.00 N ATOM 0 H GLN A 63 0.281 -14.496 -5.197 1.00 0.00 H new ATOM 0 HA GLN A 63 1.588 -16.965 -5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.031 -15.457 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.147 -16.775 -8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.337 -18.301 -6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.466 -16.979 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.003 -19.148 -9.226 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.233 -18.864 -10.456 1.00 0.00 H new ATOM 983 N LYS A 64 2.283 -13.816 -6.331 1.00 0.00 N ATOM 984 CA LYS A 64 3.377 -12.849 -6.438 1.00 0.00 C ATOM 985 C LYS A 64 3.193 -11.690 -5.450 1.00 0.00 C ATOM 986 O LYS A 64 2.210 -11.641 -4.714 1.00 0.00 O ATOM 987 CB LYS A 64 3.473 -12.345 -7.896 1.00 0.00 C ATOM 988 CG LYS A 64 2.192 -11.636 -8.394 1.00 0.00 C ATOM 989 CD LYS A 64 1.401 -12.470 -9.421 1.00 0.00 C ATOM 990 CE LYS A 64 2.156 -12.605 -10.757 1.00 0.00 C ATOM 991 NZ LYS A 64 1.401 -13.428 -11.746 1.00 0.00 N ATOM 0 H LYS A 64 1.403 -13.398 -6.029 1.00 0.00 H new ATOM 0 HA LYS A 64 4.314 -13.339 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.314 -11.657 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.687 -13.190 -8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.550 -11.417 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.464 -10.680 -8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.208 -13.462 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.432 -12.004 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.336 -11.614 -11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.131 -13.058 -10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.945 -13.493 -12.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.251 -14.382 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.481 -12.983 -11.937 1.00 0.00 H new ATOM 1005 N VAL A 65 4.133 -10.744 -5.450 1.00 0.00 N ATOM 1006 CA VAL A 65 4.034 -9.500 -4.666 1.00 0.00 C ATOM 1007 C VAL A 65 3.992 -8.346 -5.673 1.00 0.00 C ATOM 1008 O VAL A 65 4.912 -8.163 -6.476 1.00 0.00 O ATOM 1009 CB VAL A 65 5.065 -9.399 -3.523 1.00 0.00 C ATOM 1010 CG1 VAL A 65 5.069 -10.687 -2.690 1.00 0.00 C ATOM 1011 CG2 VAL A 65 6.488 -9.099 -3.974 1.00 0.00 C ATOM 0 H VAL A 65 4.992 -10.814 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 65 3.113 -9.467 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 65 4.741 -8.546 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.802 -10.599 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.079 -10.846 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.329 -11.532 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.142 -9.046 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.833 -9.890 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.509 -8.146 -4.502 1.00 0.00 H new ATOM 1021 N LYS A 66 2.870 -7.620 -5.679 1.00 0.00 N ATOM 1022 CA LYS A 66 2.541 -6.548 -6.637 1.00 0.00 C ATOM 1023 C LYS A 66 2.108 -5.255 -5.949 1.00 0.00 C ATOM 1024 O LYS A 66 1.719 -5.258 -4.781 1.00 0.00 O ATOM 1025 CB LYS A 66 1.565 -7.080 -7.713 1.00 0.00 C ATOM 1026 CG LYS A 66 0.398 -7.937 -7.187 1.00 0.00 C ATOM 1027 CD LYS A 66 -0.421 -8.518 -8.351 1.00 0.00 C ATOM 1028 CE LYS A 66 -1.411 -9.578 -7.840 1.00 0.00 C ATOM 1029 NZ LYS A 66 -2.289 -10.084 -8.941 1.00 0.00 N ATOM 0 H LYS A 66 2.132 -7.765 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 66 3.447 -6.254 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.152 -6.230 -8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.132 -7.672 -8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.786 -8.747 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.246 -7.331 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.964 -7.719 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.248 -8.963 -9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.860 -10.410 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.027 -9.151 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.945 -10.797 -8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.832 -9.293 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.702 -10.514 -9.684 1.00 0.00 H new ATOM 1043 N HIS A 67 2.194 -4.153 -6.687 1.00 0.00 N ATOM 1044 CA HIS A 67 1.970 -2.783 -6.205 1.00 0.00 C ATOM 1045 C HIS A 67 0.593 -2.219 -6.571 1.00 0.00 C ATOM 1046 O HIS A 67 -0.069 -2.746 -7.449 1.00 0.00 O ATOM 1047 CB HIS A 67 3.184 -1.962 -6.652 1.00 0.00 C ATOM 1048 CG HIS A 67 4.439 -2.535 -6.041 1.00 0.00 C ATOM 1049 ND1 HIS A 67 4.944 -2.197 -4.789 1.00 0.00 N ATOM 1050 CD2 HIS A 67 5.133 -3.610 -6.512 1.00 0.00 C ATOM 1051 CE1 HIS A 67 5.941 -3.065 -4.543 1.00 0.00 C ATOM 1052 NE2 HIS A 67 6.089 -3.910 -5.573 1.00 0.00 N ATOM 0 H HIS A 67 2.431 -4.185 -7.679 1.00 0.00 H new ATOM 0 HA HIS A 67 1.912 -2.747 -5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.261 -1.971 -7.739 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.063 -0.922 -6.349 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.963 -4.127 -7.445 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.538 -3.079 -3.643 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.790 -4.647 -5.646 1.00 0.00 H new ATOM 1060 N TYR A 68 0.169 -1.119 -5.940 1.00 0.00 N ATOM 1061 CA TYR A 68 -1.192 -0.559 -6.075 1.00 0.00 C ATOM 1062 C TYR A 68 -1.274 0.972 -6.306 1.00 0.00 C ATOM 1063 O TYR A 68 -2.002 1.659 -5.602 1.00 0.00 O ATOM 1064 CB TYR A 68 -1.916 -1.017 -4.784 1.00 0.00 C ATOM 1065 CG TYR A 68 -3.408 -1.270 -4.797 1.00 0.00 C ATOM 1066 CD1 TYR A 68 -4.313 -0.259 -4.421 1.00 0.00 C ATOM 1067 CD2 TYR A 68 -3.865 -2.591 -4.964 1.00 0.00 C ATOM 1068 CE1 TYR A 68 -5.669 -0.569 -4.202 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -5.214 -2.914 -4.719 1.00 0.00 C ATOM 1070 CZ TYR A 68 -6.115 -1.902 -4.326 1.00 0.00 C ATOM 1071 OH TYR A 68 -7.400 -2.224 -4.025 1.00 0.00 O ATOM 0 H TYR A 68 0.765 -0.581 -5.311 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.663 -0.927 -6.987 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.435 -1.937 -4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.723 -0.264 -4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.966 0.757 -4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.178 -3.361 -5.282 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.367 0.212 -3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.557 -3.932 -4.832 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.539 -3.184 -4.167 1.00 0.00 H new ATOM 1081 N LEU A 69 -0.500 1.561 -7.228 1.00 0.00 N ATOM 1082 CA LEU A 69 -0.517 3.003 -7.538 1.00 0.00 C ATOM 1083 C LEU A 69 -0.338 3.322 -9.023 1.00 0.00 C ATOM 1084 O LEU A 69 0.552 2.745 -9.637 1.00 0.00 O ATOM 1085 CB LEU A 69 0.658 3.649 -6.837 1.00 0.00 C ATOM 1086 CG LEU A 69 1.018 5.107 -7.120 1.00 0.00 C ATOM 1087 CD1 LEU A 69 1.781 5.318 -8.433 1.00 0.00 C ATOM 1088 CD2 LEU A 69 -0.196 6.031 -6.929 1.00 0.00 C ATOM 0 H LEU A 69 0.171 1.040 -7.793 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.492 3.371 -7.218 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.482 3.562 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.539 3.049 -7.064 1.00 0.00 H new ATOM 0 HG LEU A 69 1.746 5.404 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.999 6.378 -8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.715 4.756 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.172 4.970 -9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.094 7.061 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.992 5.732 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.552 5.956 -5.902 1.00 0.00 H new ATOM 1100 N ILE A 70 -1.125 4.238 -9.593 1.00 0.00 N ATOM 1101 CA ILE A 70 -0.893 4.731 -10.970 1.00 0.00 C ATOM 1102 C ILE A 70 -1.148 6.240 -11.065 1.00 0.00 C ATOM 1103 O ILE A 70 -0.344 6.948 -11.676 1.00 0.00 O ATOM 1104 CB ILE A 70 -1.641 3.946 -12.066 1.00 0.00 C ATOM 1105 CG1 ILE A 70 -1.279 2.459 -11.916 1.00 0.00 C ATOM 1106 CG2 ILE A 70 -1.258 4.440 -13.473 1.00 0.00 C ATOM 1107 CD1 ILE A 70 -1.951 1.542 -12.896 1.00 0.00 C ATOM 0 H ILE A 70 -1.930 4.658 -9.130 1.00 0.00 H new ATOM 0 HA ILE A 70 0.161 4.546 -11.175 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.714 4.098 -11.949 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.199 2.351 -12.021 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.535 2.138 -10.906 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.803 3.865 -14.221 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.512 5.495 -13.570 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.187 4.310 -13.625 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.633 0.516 -12.711 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.032 1.614 -12.779 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.676 1.830 -13.911 1.00 0.00 H new ATOM 1119 N LEU A 71 -2.226 6.747 -10.446 1.00 0.00 N ATOM 1120 CA LEU A 71 -2.623 8.161 -10.583 1.00 0.00 C ATOM 1121 C LEU A 71 -3.149 8.812 -9.281 1.00 0.00 C ATOM 1122 O LEU A 71 -3.629 8.105 -8.393 1.00 0.00 O ATOM 1123 CB LEU A 71 -3.602 8.306 -11.791 1.00 0.00 C ATOM 1124 CG LEU A 71 -4.239 7.014 -12.380 1.00 0.00 C ATOM 1125 CD1 LEU A 71 -5.319 6.431 -11.469 1.00 0.00 C ATOM 1126 CD2 LEU A 71 -4.865 7.222 -13.757 1.00 0.00 C ATOM 0 H LEU A 71 -2.841 6.199 -9.844 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.721 8.737 -10.791 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.413 8.967 -11.485 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.066 8.810 -12.595 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.402 6.321 -12.466 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.732 5.531 -11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.883 6.181 -10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.113 7.165 -11.330 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.290 6.282 -14.109 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.652 7.974 -13.689 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.100 7.559 -14.457 1.00 0.00 H new ATOM 1138 N PRO A 72 -3.054 10.156 -9.157 1.00 0.00 N ATOM 1139 CA PRO A 72 -3.433 10.913 -7.962 1.00 0.00 C ATOM 1140 C PRO A 72 -4.943 11.208 -7.925 1.00 0.00 C ATOM 1141 O PRO A 72 -5.696 10.778 -8.804 1.00 0.00 O ATOM 1142 CB PRO A 72 -2.588 12.192 -8.054 1.00 0.00 C ATOM 1143 CG PRO A 72 -2.582 12.473 -9.555 1.00 0.00 C ATOM 1144 CD PRO A 72 -2.515 11.071 -10.160 1.00 0.00 C ATOM 0 HA PRO A 72 -3.247 10.363 -7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.030 13.013 -7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.581 12.043 -7.665 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.478 13.007 -9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.727 13.082 -9.849 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.094 11.019 -11.082 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.488 10.807 -10.413 1.00 0.00 H new ATOM 1152 N SER A 73 -5.399 11.962 -6.922 1.00 0.00 N ATOM 1153 CA SER A 73 -6.810 12.351 -6.745 1.00 0.00 C ATOM 1154 C SER A 73 -7.426 13.035 -7.977 1.00 0.00 C ATOM 1155 O SER A 73 -6.766 13.831 -8.652 1.00 0.00 O ATOM 1156 CB SER A 73 -6.965 13.267 -5.523 1.00 0.00 C ATOM 1157 OG SER A 73 -6.403 12.654 -4.374 1.00 0.00 O ATOM 0 H SER A 73 -4.789 12.330 -6.192 1.00 0.00 H new ATOM 0 HA SER A 73 -7.356 11.419 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.474 14.222 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.020 13.480 -5.351 1.00 0.00 H new ATOM 0 HG SER A 73 -6.507 13.249 -3.602 1.00 0.00 H new ATOM 1163 N GLU A 74 -8.694 12.722 -8.273 1.00 0.00 N ATOM 1164 CA GLU A 74 -9.423 13.191 -9.470 1.00 0.00 C ATOM 1165 C GLU A 74 -10.728 13.931 -9.092 1.00 0.00 C ATOM 1166 O GLU A 74 -10.988 14.197 -7.918 1.00 0.00 O ATOM 1167 CB GLU A 74 -9.686 11.980 -10.399 1.00 0.00 C ATOM 1168 CG GLU A 74 -8.426 11.195 -10.817 1.00 0.00 C ATOM 1169 CD GLU A 74 -7.404 12.026 -11.601 1.00 0.00 C ATOM 1170 OE1 GLU A 74 -7.692 12.764 -12.541 1.00 0.00 O ATOM 1171 OE2 GLU A 74 -6.109 11.886 -11.209 1.00 0.00 O ATOM 0 H GLU A 74 -9.260 12.121 -7.675 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.813 13.920 -10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.371 11.297 -9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.191 12.334 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.946 10.797 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.727 10.341 -11.424 1.00 0.00 H new ATOM 1179 N GLU A 75 -11.576 14.242 -10.080 1.00 0.00 N ATOM 1180 CA GLU A 75 -12.829 14.988 -9.911 1.00 0.00 C ATOM 1181 C GLU A 75 -14.063 14.054 -9.829 1.00 0.00 C ATOM 1182 O GLU A 75 -15.129 14.460 -9.363 1.00 0.00 O ATOM 1183 CB GLU A 75 -12.892 15.963 -11.099 1.00 0.00 C ATOM 1184 CG GLU A 75 -14.073 16.923 -11.025 1.00 0.00 C ATOM 1185 CD GLU A 75 -13.973 18.025 -12.096 1.00 0.00 C ATOM 1186 OE1 GLU A 75 -14.427 17.804 -13.247 1.00 0.00 O ATOM 1187 OE2 GLU A 75 -13.447 19.125 -11.796 1.00 0.00 O ATOM 0 H GLU A 75 -11.404 13.973 -11.049 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.848 15.529 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.967 16.538 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.953 15.393 -12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.002 16.369 -11.157 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.112 17.378 -10.035 1.00 0.00 H new ATOM 1194 N GLU A 76 -13.905 12.775 -10.196 1.00 0.00 N ATOM 1195 CA GLU A 76 -14.942 11.724 -10.123 1.00 0.00 C ATOM 1196 C GLU A 76 -14.813 10.815 -8.878 1.00 0.00 C ATOM 1197 O GLU A 76 -15.537 9.824 -8.745 1.00 0.00 O ATOM 1198 CB GLU A 76 -14.946 10.912 -11.433 1.00 0.00 C ATOM 1199 CG GLU A 76 -13.633 10.150 -11.679 1.00 0.00 C ATOM 1200 CD GLU A 76 -13.733 9.157 -12.854 1.00 0.00 C ATOM 1201 OE1 GLU A 76 -14.141 9.561 -13.973 1.00 0.00 O ATOM 1202 OE2 GLU A 76 -13.371 7.969 -12.671 1.00 0.00 O ATOM 0 H GLU A 76 -13.021 12.426 -10.566 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.905 12.221 -10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.772 10.201 -11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.129 11.586 -12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.835 10.865 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.356 9.609 -10.774 1.00 0.00 H new ATOM 1209 N GLY A 77 -13.884 11.133 -7.967 1.00 0.00 N ATOM 1210 CA GLY A 77 -13.566 10.340 -6.773 1.00 0.00 C ATOM 1211 C GLY A 77 -12.636 11.061 -5.791 1.00 0.00 C ATOM 1212 O GLY A 77 -12.552 12.292 -5.791 1.00 0.00 O ATOM 0 H GLY A 77 -13.315 11.976 -8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.493 10.082 -6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.101 9.404 -7.081 1.00 0.00 H new ATOM 1216 N ARG A 78 -11.942 10.287 -4.946 1.00 0.00 N ATOM 1217 CA ARG A 78 -10.914 10.777 -4.001 1.00 0.00 C ATOM 1218 C ARG A 78 -9.531 10.364 -4.518 1.00 0.00 C ATOM 1219 O ARG A 78 -9.305 10.482 -5.722 1.00 0.00 O ATOM 1220 CB ARG A 78 -11.249 10.296 -2.578 1.00 0.00 C ATOM 1221 CG ARG A 78 -12.661 10.667 -2.082 1.00 0.00 C ATOM 1222 CD ARG A 78 -12.865 12.177 -1.902 1.00 0.00 C ATOM 1223 NE ARG A 78 -11.931 12.743 -0.903 1.00 0.00 N ATOM 1224 CZ ARG A 78 -11.812 14.018 -0.573 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -12.546 14.945 -1.123 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -10.944 14.391 0.325 1.00 0.00 N ATOM 0 H ARG A 78 -12.079 9.278 -4.895 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.902 11.865 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.140 9.212 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.516 10.713 -1.887 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.398 10.290 -2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.848 10.167 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.722 12.680 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.891 12.370 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.319 12.085 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.237 14.695 -1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.429 15.920 -0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.350 13.697 0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.859 15.377 0.574 1.00 0.00 H new ATOM 1240 N LEU A 79 -8.610 9.882 -3.668 1.00 0.00 N ATOM 1241 CA LEU A 79 -7.306 9.362 -4.133 1.00 0.00 C ATOM 1242 C LEU A 79 -7.596 8.177 -5.070 1.00 0.00 C ATOM 1243 O LEU A 79 -8.277 7.238 -4.662 1.00 0.00 O ATOM 1244 CB LEU A 79 -6.407 8.974 -2.945 1.00 0.00 C ATOM 1245 CG LEU A 79 -4.905 9.235 -3.194 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -4.105 8.875 -1.945 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -4.323 8.446 -4.370 1.00 0.00 C ATOM 0 H LEU A 79 -8.740 9.840 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.752 10.127 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.723 9.532 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.551 7.917 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.827 10.295 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.046 9.061 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.443 9.486 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.254 7.821 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.265 8.684 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.437 7.378 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.852 8.713 -5.285 1.00 0.00 H new ATOM 1259 N TYR A 80 -7.117 8.210 -6.315 1.00 0.00 N ATOM 1260 CA TYR A 80 -7.475 7.191 -7.298 1.00 0.00 C ATOM 1261 C TYR A 80 -6.756 5.837 -7.179 1.00 0.00 C ATOM 1262 O TYR A 80 -5.531 5.753 -7.096 1.00 0.00 O ATOM 1263 CB TYR A 80 -7.385 7.770 -8.709 1.00 0.00 C ATOM 1264 CG TYR A 80 -8.500 7.291 -9.617 1.00 0.00 C ATOM 1265 CD1 TYR A 80 -8.433 6.039 -10.263 1.00 0.00 C ATOM 1266 CD2 TYR A 80 -9.630 8.108 -9.794 1.00 0.00 C ATOM 1267 CE1 TYR A 80 -9.473 5.634 -11.124 1.00 0.00 C ATOM 1268 CE2 TYR A 80 -10.655 7.719 -10.673 1.00 0.00 C ATOM 1269 CZ TYR A 80 -10.575 6.485 -11.352 1.00 0.00 C ATOM 1270 OH TYR A 80 -11.576 6.108 -12.191 1.00 0.00 O ATOM 0 H TYR A 80 -6.483 8.929 -6.664 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.507 6.929 -7.066 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.412 8.858 -8.652 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.425 7.498 -9.147 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.585 5.391 -10.098 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.711 9.039 -9.252 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.426 4.671 -11.610 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.506 8.366 -10.829 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.983 6.904 -12.593 1.00 0.00 H new ATOM 1280 N PHE A 81 -7.561 4.767 -7.234 1.00 0.00 N ATOM 1281 CA PHE A 81 -7.137 3.370 -7.265 1.00 0.00 C ATOM 1282 C PHE A 81 -8.078 2.438 -8.006 1.00 0.00 C ATOM 1283 O PHE A 81 -9.248 2.730 -8.234 1.00 0.00 O ATOM 1284 CB PHE A 81 -6.817 2.726 -5.899 1.00 0.00 C ATOM 1285 CG PHE A 81 -6.038 3.534 -4.874 1.00 0.00 C ATOM 1286 CD1 PHE A 81 -6.712 4.344 -3.939 1.00 0.00 C ATOM 1287 CD2 PHE A 81 -4.641 3.395 -4.788 1.00 0.00 C ATOM 1288 CE1 PHE A 81 -5.995 4.989 -2.915 1.00 0.00 C ATOM 1289 CE2 PHE A 81 -3.923 4.023 -3.753 1.00 0.00 C ATOM 1290 CZ PHE A 81 -4.602 4.822 -2.818 1.00 0.00 C ATOM 0 H PHE A 81 -8.576 4.863 -7.259 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.204 3.469 -7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.763 2.436 -5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.260 1.809 -6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.782 4.470 -4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.115 2.802 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.515 5.613 -2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.854 3.891 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.054 5.308 -2.024 1.00 0.00 H new ATOM 1300 N SER A 82 -7.535 1.281 -8.367 1.00 0.00 N ATOM 1301 CA SER A 82 -8.261 0.172 -8.972 1.00 0.00 C ATOM 1302 C SER A 82 -7.648 -1.154 -8.472 1.00 0.00 C ATOM 1303 O SER A 82 -6.928 -1.212 -7.483 1.00 0.00 O ATOM 1304 CB SER A 82 -8.455 0.327 -10.503 1.00 0.00 C ATOM 1305 OG SER A 82 -8.720 1.668 -10.883 1.00 0.00 O ATOM 0 H SER A 82 -6.542 1.083 -8.242 1.00 0.00 H new ATOM 0 HA SER A 82 -9.299 0.169 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.560 -0.023 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.278 -0.309 -10.828 1.00 0.00 H new ATOM 0 HG SER A 82 -8.833 1.716 -11.855 1.00 0.00 H new ATOM 1311 N MET A 83 -7.916 -2.204 -9.212 1.00 0.00 N ATOM 1312 CA MET A 83 -7.628 -3.614 -8.960 1.00 0.00 C ATOM 1313 C MET A 83 -7.570 -4.337 -10.319 1.00 0.00 C ATOM 1314 O MET A 83 -7.830 -3.715 -11.353 1.00 0.00 O ATOM 1315 CB MET A 83 -8.691 -4.206 -8.013 1.00 0.00 C ATOM 1316 CG MET A 83 -8.078 -5.119 -6.945 1.00 0.00 C ATOM 1317 SD MET A 83 -9.299 -6.066 -5.995 1.00 0.00 S ATOM 1318 CE MET A 83 -10.078 -4.763 -4.999 1.00 0.00 C ATOM 0 H MET A 83 -8.394 -2.088 -10.106 1.00 0.00 H new ATOM 0 HA MET A 83 -6.667 -3.741 -8.461 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.232 -3.395 -7.526 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.419 -4.771 -8.596 1.00 0.00 H new ATOM 0 HG2 MET A 83 -7.390 -5.813 -7.427 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.489 -4.512 -6.257 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.259 -5.135 -3.991 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.418 -3.897 -4.953 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.025 -4.474 -5.455 1.00 0.00 H new ATOM 1328 N ASP A 84 -7.319 -5.651 -10.347 1.00 0.00 N ATOM 1329 CA ASP A 84 -7.400 -6.389 -11.618 1.00 0.00 C ATOM 1330 C ASP A 84 -8.870 -6.442 -12.112 1.00 0.00 C ATOM 1331 O ASP A 84 -9.117 -6.423 -13.320 1.00 0.00 O ATOM 1332 CB ASP A 84 -6.791 -7.781 -11.449 1.00 0.00 C ATOM 1333 CG ASP A 84 -6.768 -8.549 -12.782 1.00 0.00 C ATOM 1334 OD1 ASP A 84 -5.925 -8.217 -13.651 1.00 0.00 O ATOM 1335 OD2 ASP A 84 -7.571 -9.497 -12.957 1.00 0.00 O ATOM 0 H ASP A 84 -7.066 -6.213 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 84 -6.823 -5.871 -12.384 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.776 -7.691 -11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.365 -8.344 -10.713 1.00 0.00 H new ATOM 1340 N ASP A 85 -9.848 -6.445 -11.184 1.00 0.00 N ATOM 1341 CA ASP A 85 -11.293 -6.377 -11.479 1.00 0.00 C ATOM 1342 C ASP A 85 -12.068 -5.472 -10.477 1.00 0.00 C ATOM 1343 O ASP A 85 -13.149 -5.827 -10.000 1.00 0.00 O ATOM 1344 CB ASP A 85 -11.853 -7.809 -11.576 1.00 0.00 C ATOM 1345 CG ASP A 85 -13.281 -7.867 -12.156 1.00 0.00 C ATOM 1346 OD1 ASP A 85 -13.584 -7.133 -13.130 1.00 0.00 O ATOM 1347 OD2 ASP A 85 -14.096 -8.692 -11.676 1.00 0.00 O ATOM 0 H ASP A 85 -9.650 -6.496 -10.185 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.438 -5.890 -12.443 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.190 -8.409 -12.199 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.853 -8.260 -10.584 1.00 0.00 H new ATOM 1352 N GLY A 86 -11.481 -4.325 -10.088 1.00 0.00 N ATOM 1353 CA GLY A 86 -12.025 -3.408 -9.063 1.00 0.00 C ATOM 1354 C GLY A 86 -11.861 -1.902 -9.336 1.00 0.00 C ATOM 1355 O GLY A 86 -11.296 -1.493 -10.347 1.00 0.00 O ATOM 0 H GLY A 86 -10.598 -4.001 -10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.088 -3.620 -8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.546 -3.637 -8.111 1.00 0.00 H new ATOM 1359 N GLN A 87 -12.366 -1.076 -8.408 1.00 0.00 N ATOM 1360 CA GLN A 87 -12.439 0.402 -8.470 1.00 0.00 C ATOM 1361 C GLN A 87 -12.155 1.053 -7.094 1.00 0.00 C ATOM 1362 O GLN A 87 -13.022 1.710 -6.517 1.00 0.00 O ATOM 1363 CB GLN A 87 -13.836 0.779 -9.013 1.00 0.00 C ATOM 1364 CG GLN A 87 -14.992 0.182 -8.174 1.00 0.00 C ATOM 1365 CD GLN A 87 -16.090 1.205 -7.885 1.00 0.00 C ATOM 1366 OE1 GLN A 87 -17.169 1.193 -8.464 1.00 0.00 O ATOM 1367 NE2 GLN A 87 -15.849 2.133 -6.982 1.00 0.00 N ATOM 0 H GLN A 87 -12.760 -1.438 -7.539 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.667 0.786 -9.136 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.931 1.865 -9.032 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.925 0.433 -10.043 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.421 -0.668 -8.705 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.596 -0.198 -7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.953 2.150 -6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.558 2.834 -6.770 1.00 0.00 H new ATOM 1376 N THR A 88 -10.946 0.896 -6.545 1.00 0.00 N ATOM 1377 CA THR A 88 -10.602 1.338 -5.168 1.00 0.00 C ATOM 1378 C THR A 88 -10.301 2.786 -4.804 1.00 0.00 C ATOM 1379 O THR A 88 -10.018 3.092 -3.651 1.00 0.00 O ATOM 1380 CB THR A 88 -9.785 0.261 -4.449 1.00 0.00 C ATOM 1381 OG1 THR A 88 -8.737 -0.104 -5.310 1.00 0.00 O ATOM 1382 CG2 THR A 88 -10.662 -0.975 -4.229 1.00 0.00 C ATOM 0 H THR A 88 -10.167 0.458 -7.037 1.00 0.00 H new ATOM 0 HA THR A 88 -11.597 1.438 -4.734 1.00 0.00 H new ATOM 0 HB THR A 88 -9.418 0.632 -3.492 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.158 -0.755 -4.862 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.084 -1.745 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 88 -11.525 -0.705 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 88 -11.001 -1.356 -5.192 1.00 0.00 H new ATOM 1390 N ARG A 89 -10.417 3.650 -5.805 1.00 0.00 N ATOM 1391 CA ARG A 89 -10.361 5.142 -5.859 1.00 0.00 C ATOM 1392 C ARG A 89 -11.039 5.985 -4.738 1.00 0.00 C ATOM 1393 O ARG A 89 -11.741 6.959 -5.019 1.00 0.00 O ATOM 1394 CB ARG A 89 -10.880 5.561 -7.267 1.00 0.00 C ATOM 1395 CG ARG A 89 -12.346 5.156 -7.535 1.00 0.00 C ATOM 1396 CD ARG A 89 -12.749 5.371 -8.997 1.00 0.00 C ATOM 1397 NE ARG A 89 -14.134 4.909 -9.238 1.00 0.00 N ATOM 1398 CZ ARG A 89 -14.662 4.516 -10.386 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -13.995 4.529 -11.504 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -15.891 4.087 -10.431 1.00 0.00 N ATOM 0 H ARG A 89 -10.576 3.285 -6.744 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.316 5.387 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.786 6.642 -7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -10.243 5.110 -8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.485 4.107 -7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.005 5.736 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.665 6.428 -9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.063 4.832 -9.650 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.752 4.891 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.027 4.851 -11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.440 4.217 -12.367 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.451 4.053 -9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -16.294 3.785 -11.318 1.00 0.00 H new ATOM 1414 N PHE A 90 -10.798 5.668 -3.466 1.00 0.00 N ATOM 1415 CA PHE A 90 -11.323 6.356 -2.280 1.00 0.00 C ATOM 1416 C PHE A 90 -10.217 6.712 -1.258 1.00 0.00 C ATOM 1417 O PHE A 90 -9.128 6.134 -1.282 1.00 0.00 O ATOM 1418 CB PHE A 90 -12.449 5.500 -1.685 1.00 0.00 C ATOM 1419 CG PHE A 90 -13.343 6.236 -0.709 1.00 0.00 C ATOM 1420 CD1 PHE A 90 -14.167 7.285 -1.164 1.00 0.00 C ATOM 1421 CD2 PHE A 90 -13.370 5.867 0.648 1.00 0.00 C ATOM 1422 CE1 PHE A 90 -15.009 7.964 -0.264 1.00 0.00 C ATOM 1423 CE2 PHE A 90 -14.227 6.532 1.543 1.00 0.00 C ATOM 1424 CZ PHE A 90 -15.041 7.584 1.088 1.00 0.00 C ATOM 0 H PHE A 90 -10.198 4.881 -3.219 1.00 0.00 H new ATOM 0 HA PHE A 90 -11.734 7.323 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.062 5.111 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -12.008 4.641 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -14.152 7.568 -2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.732 5.072 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -15.630 8.776 -0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -14.260 6.234 2.581 1.00 0.00 H new ATOM 0 HZ PHE A 90 -15.691 8.100 1.778 1.00 0.00 H new ATOM 1434 N THR A 91 -10.480 7.676 -0.363 1.00 0.00 N ATOM 1435 CA THR A 91 -9.506 8.222 0.613 1.00 0.00 C ATOM 1436 C THR A 91 -8.985 7.156 1.592 1.00 0.00 C ATOM 1437 O THR A 91 -9.770 6.397 2.160 1.00 0.00 O ATOM 1438 CB THR A 91 -10.143 9.354 1.441 1.00 0.00 C ATOM 1439 OG1 THR A 91 -10.948 10.196 0.652 1.00 0.00 O ATOM 1440 CG2 THR A 91 -9.118 10.269 2.108 1.00 0.00 C ATOM 0 H THR A 91 -11.399 8.114 -0.291 1.00 0.00 H new ATOM 0 HA THR A 91 -8.669 8.595 0.023 1.00 0.00 H new ATOM 0 HB THR A 91 -10.727 8.827 2.195 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.335 10.899 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.636 11.043 2.674 1.00 0.00 H new ATOM 0 HG22 THR A 91 -8.492 9.684 2.782 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.494 10.734 1.345 1.00 0.00 H new ATOM 1448 N ASP A 92 -7.674 7.133 1.872 1.00 0.00 N ATOM 1449 CA ASP A 92 -7.046 6.098 2.713 1.00 0.00 C ATOM 1450 C ASP A 92 -7.437 6.175 4.193 1.00 0.00 C ATOM 1451 O ASP A 92 -7.492 5.141 4.857 1.00 0.00 O ATOM 1452 CB ASP A 92 -5.515 6.180 2.597 1.00 0.00 C ATOM 1453 CG ASP A 92 -4.984 5.516 1.321 1.00 0.00 C ATOM 1454 OD1 ASP A 92 -5.170 4.281 1.178 1.00 0.00 O ATOM 1455 OD2 ASP A 92 -4.342 6.217 0.505 1.00 0.00 O ATOM 0 H ASP A 92 -7.017 7.831 1.523 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.418 5.146 2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.209 7.226 2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.062 5.703 3.466 1.00 0.00 H new ATOM 1460 N LEU A 93 -7.734 7.367 4.722 1.00 0.00 N ATOM 1461 CA LEU A 93 -8.014 7.553 6.152 1.00 0.00 C ATOM 1462 C LEU A 93 -9.260 6.778 6.611 1.00 0.00 C ATOM 1463 O LEU A 93 -9.238 6.129 7.655 1.00 0.00 O ATOM 1464 CB LEU A 93 -8.128 9.064 6.444 1.00 0.00 C ATOM 1465 CG LEU A 93 -8.390 9.418 7.924 1.00 0.00 C ATOM 1466 CD1 LEU A 93 -7.282 8.923 8.857 1.00 0.00 C ATOM 1467 CD2 LEU A 93 -8.497 10.935 8.072 1.00 0.00 C ATOM 0 H LEU A 93 -7.787 8.226 4.175 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.188 7.138 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.207 9.552 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.934 9.477 5.838 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.318 8.922 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.520 9.200 9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.202 7.838 8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.334 9.377 8.569 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.682 11.187 9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.566 11.399 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.320 11.303 7.459 1.00 0.00 H new ATOM 1479 N LEU A 94 -10.325 6.775 5.803 1.00 0.00 N ATOM 1480 CA LEU A 94 -11.551 6.024 6.101 1.00 0.00 C ATOM 1481 C LEU A 94 -11.318 4.511 5.970 1.00 0.00 C ATOM 1482 O LEU A 94 -11.767 3.742 6.820 1.00 0.00 O ATOM 1483 CB LEU A 94 -12.700 6.550 5.218 1.00 0.00 C ATOM 1484 CG LEU A 94 -13.130 7.994 5.563 1.00 0.00 C ATOM 1485 CD1 LEU A 94 -14.127 8.509 4.528 1.00 0.00 C ATOM 1486 CD2 LEU A 94 -13.788 8.097 6.942 1.00 0.00 C ATOM 0 H LEU A 94 -10.363 7.292 4.925 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.842 6.183 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.392 6.511 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.560 5.888 5.322 1.00 0.00 H new ATOM 0 HG LEU A 94 -12.220 8.593 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -14.422 9.527 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.664 8.501 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.008 7.867 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -14.071 9.132 7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.677 7.467 6.969 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.085 7.765 7.706 1.00 0.00 H new ATOM 1498 N GLN A 95 -10.551 4.068 4.966 1.00 0.00 N ATOM 1499 CA GLN A 95 -10.150 2.690 4.790 1.00 0.00 C ATOM 1500 C GLN A 95 -9.250 2.180 5.934 1.00 0.00 C ATOM 1501 O GLN A 95 -9.310 1.006 6.289 1.00 0.00 O ATOM 1502 CB GLN A 95 -9.431 2.625 3.435 1.00 0.00 C ATOM 1503 CG GLN A 95 -10.274 2.955 2.190 1.00 0.00 C ATOM 1504 CD GLN A 95 -11.590 2.190 2.159 1.00 0.00 C ATOM 1505 OE1 GLN A 95 -11.669 1.045 1.743 1.00 0.00 O ATOM 1506 NE2 GLN A 95 -12.657 2.789 2.650 1.00 0.00 N ATOM 0 H GLN A 95 -10.188 4.686 4.240 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.022 2.037 4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -8.585 3.312 3.465 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.023 1.622 3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.479 4.025 2.167 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.700 2.721 1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.590 3.746 2.997 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.549 2.296 2.682 1.00 0.00 H new ATOM 1515 N LEU A 96 -8.453 3.059 6.550 1.00 0.00 N ATOM 1516 CA LEU A 96 -7.625 2.749 7.719 1.00 0.00 C ATOM 1517 C LEU A 96 -8.457 2.674 9.008 1.00 0.00 C ATOM 1518 O LEU A 96 -8.293 1.728 9.778 1.00 0.00 O ATOM 1519 CB LEU A 96 -6.481 3.785 7.772 1.00 0.00 C ATOM 1520 CG LEU A 96 -5.403 3.557 8.855 1.00 0.00 C ATOM 1521 CD1 LEU A 96 -4.121 4.288 8.447 1.00 0.00 C ATOM 1522 CD2 LEU A 96 -5.797 4.097 10.233 1.00 0.00 C ATOM 0 H LEU A 96 -8.364 4.027 6.242 1.00 0.00 H new ATOM 0 HA LEU A 96 -7.189 1.754 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.990 3.803 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.919 4.771 7.927 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.273 2.477 8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.355 4.132 9.207 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.769 3.899 7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.325 5.354 8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.994 3.902 10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.970 5.171 10.167 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.708 3.603 10.571 1.00 0.00 H new ATOM 1534 N VAL A 97 -9.364 3.628 9.244 1.00 0.00 N ATOM 1535 CA VAL A 97 -10.156 3.694 10.489 1.00 0.00 C ATOM 1536 C VAL A 97 -11.265 2.632 10.518 1.00 0.00 C ATOM 1537 O VAL A 97 -11.313 1.819 11.440 1.00 0.00 O ATOM 1538 CB VAL A 97 -10.695 5.122 10.720 1.00 0.00 C ATOM 1539 CG1 VAL A 97 -11.666 5.210 11.907 1.00 0.00 C ATOM 1540 CG2 VAL A 97 -9.540 6.092 11.012 1.00 0.00 C ATOM 0 H VAL A 97 -9.573 4.376 8.583 1.00 0.00 H new ATOM 0 HA VAL A 97 -9.494 3.460 11.323 1.00 0.00 H new ATOM 0 HB VAL A 97 -11.223 5.388 9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.011 6.238 12.019 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -12.521 4.558 11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -11.156 4.897 12.818 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.938 7.094 11.172 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -9.008 5.766 11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.853 6.106 10.166 1.00 0.00 H new ATOM 1550 N GLU A 98 -12.168 2.630 9.535 1.00 0.00 N ATOM 1551 CA GLU A 98 -13.274 1.663 9.422 1.00 0.00 C ATOM 1552 C GLU A 98 -12.887 0.332 8.780 1.00 0.00 C ATOM 1553 O GLU A 98 -13.114 -0.716 9.375 1.00 0.00 O ATOM 1554 CB GLU A 98 -14.441 2.343 8.682 1.00 0.00 C ATOM 1555 CG GLU A 98 -15.671 1.453 8.434 1.00 0.00 C ATOM 1556 CD GLU A 98 -16.379 0.956 9.714 1.00 0.00 C ATOM 1557 OE1 GLU A 98 -16.208 1.551 10.807 1.00 0.00 O ATOM 1558 OE2 GLU A 98 -17.145 -0.034 9.626 1.00 0.00 O ATOM 0 H GLU A 98 -12.155 3.313 8.777 1.00 0.00 H new ATOM 0 HA GLU A 98 -13.576 1.385 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.754 3.215 9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.077 2.707 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -16.389 2.009 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -15.364 0.588 7.846 1.00 0.00 H new ATOM 1565 N PHE A 99 -12.241 0.339 7.611 1.00 0.00 N ATOM 1566 CA PHE A 99 -11.974 -0.902 6.869 1.00 0.00 C ATOM 1567 C PHE A 99 -10.785 -1.757 7.333 1.00 0.00 C ATOM 1568 O PHE A 99 -10.537 -2.787 6.720 1.00 0.00 O ATOM 1569 CB PHE A 99 -12.061 -0.674 5.348 1.00 0.00 C ATOM 1570 CG PHE A 99 -13.433 -0.219 4.866 1.00 0.00 C ATOM 1571 CD1 PHE A 99 -13.859 1.114 5.041 1.00 0.00 C ATOM 1572 CD2 PHE A 99 -14.302 -1.145 4.256 1.00 0.00 C ATOM 1573 CE1 PHE A 99 -15.137 1.515 4.611 1.00 0.00 C ATOM 1574 CE2 PHE A 99 -15.579 -0.744 3.822 1.00 0.00 C ATOM 1575 CZ PHE A 99 -15.996 0.587 4.000 1.00 0.00 C ATOM 0 H PHE A 99 -11.894 1.184 7.157 1.00 0.00 H new ATOM 0 HA PHE A 99 -12.792 -1.567 7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -11.320 0.072 5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -11.796 -1.600 4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.200 1.831 5.508 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -13.986 -2.169 4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -15.458 2.537 4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -16.239 -1.458 3.352 1.00 0.00 H new ATOM 0 HZ PHE A 99 -16.976 0.895 3.667 1.00 0.00 H new ATOM 1585 N HIS A 100 -10.107 -1.463 8.454 1.00 0.00 N ATOM 1586 CA HIS A 100 -9.034 -2.348 8.982 1.00 0.00 C ATOM 1587 C HIS A 100 -9.506 -3.806 9.197 1.00 0.00 C ATOM 1588 O HIS A 100 -8.724 -4.748 9.077 1.00 0.00 O ATOM 1589 CB HIS A 100 -8.463 -1.775 10.296 1.00 0.00 C ATOM 1590 CG HIS A 100 -9.331 -1.996 11.517 1.00 0.00 C ATOM 1591 ND1 HIS A 100 -9.065 -2.881 12.549 1.00 0.00 N ATOM 1592 CD2 HIS A 100 -10.524 -1.383 11.795 1.00 0.00 C ATOM 1593 CE1 HIS A 100 -10.076 -2.804 13.440 1.00 0.00 C ATOM 1594 NE2 HIS A 100 -10.975 -1.899 12.999 1.00 0.00 N ATOM 0 H HIS A 100 -10.274 -0.628 9.015 1.00 0.00 H new ATOM 0 HA HIS A 100 -8.251 -2.377 8.224 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.486 -2.223 10.477 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -8.304 -0.704 10.170 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.019 -0.638 11.190 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -10.153 -3.373 14.355 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.840 -1.639 13.472 1.00 0.00 H new ATOM 1603 N GLN A 101 -10.802 -3.971 9.491 1.00 0.00 N ATOM 1604 CA GLN A 101 -11.490 -5.245 9.743 1.00 0.00 C ATOM 1605 C GLN A 101 -11.820 -6.061 8.470 1.00 0.00 C ATOM 1606 O GLN A 101 -11.893 -7.286 8.547 1.00 0.00 O ATOM 1607 CB GLN A 101 -12.731 -4.942 10.613 1.00 0.00 C ATOM 1608 CG GLN A 101 -13.795 -4.026 9.964 1.00 0.00 C ATOM 1609 CD GLN A 101 -14.724 -3.393 11.009 1.00 0.00 C ATOM 1610 OE1 GLN A 101 -15.477 -4.077 11.691 1.00 0.00 O ATOM 1611 NE2 GLN A 101 -14.711 -2.086 11.204 1.00 0.00 N ATOM 0 H GLN A 101 -11.435 -3.174 9.564 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.811 -5.909 10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.205 -5.887 10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -12.397 -4.479 11.542 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.298 -3.239 9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -14.388 -4.604 9.255 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.093 -1.494 10.649 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -15.319 -1.670 11.909 1.00 0.00 H new ATOM 1620 N LEU A 102 -11.983 -5.406 7.313 1.00 0.00 N ATOM 1621 CA LEU A 102 -12.222 -5.975 5.969 1.00 0.00 C ATOM 1622 C LEU A 102 -11.534 -5.031 4.956 1.00 0.00 C ATOM 1623 O LEU A 102 -12.174 -4.260 4.238 1.00 0.00 O ATOM 1624 CB LEU A 102 -13.741 -6.103 5.707 1.00 0.00 C ATOM 1625 CG LEU A 102 -14.495 -7.158 6.541 1.00 0.00 C ATOM 1626 CD1 LEU A 102 -15.990 -7.083 6.228 1.00 0.00 C ATOM 1627 CD2 LEU A 102 -14.028 -8.587 6.252 1.00 0.00 C ATOM 0 H LEU A 102 -11.950 -4.387 7.284 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.809 -6.979 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -14.202 -5.132 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.887 -6.334 4.652 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.289 -6.934 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.523 -7.829 6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.364 -6.090 6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.150 -7.277 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.594 -9.286 6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.191 -8.817 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.967 -8.677 6.483 1.00 0.00 H new ATOM 1639 N ASN A 103 -10.198 -5.077 4.953 1.00 0.00 N ATOM 1640 CA ASN A 103 -9.320 -4.180 4.194 1.00 0.00 C ATOM 1641 C ASN A 103 -9.425 -4.228 2.651 1.00 0.00 C ATOM 1642 O ASN A 103 -9.871 -5.202 2.041 1.00 0.00 O ATOM 1643 CB ASN A 103 -7.881 -4.392 4.725 1.00 0.00 C ATOM 1644 CG ASN A 103 -6.991 -3.163 4.660 1.00 0.00 C ATOM 1645 OD1 ASN A 103 -7.266 -2.183 3.984 1.00 0.00 O ATOM 1646 ND2 ASN A 103 -5.890 -3.171 5.366 1.00 0.00 N ATOM 0 H ASN A 103 -9.679 -5.765 5.499 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.664 -3.161 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.937 -4.729 5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -7.412 -5.193 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.268 -2.363 5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.654 -3.985 5.933 1.00 0.00 H new ATOM 1653 N ARG A 104 -8.952 -3.148 2.011 1.00 0.00 N ATOM 1654 CA ARG A 104 -8.823 -2.968 0.554 1.00 0.00 C ATOM 1655 C ARG A 104 -7.562 -3.662 0.008 1.00 0.00 C ATOM 1656 O ARG A 104 -6.656 -3.029 -0.530 1.00 0.00 O ATOM 1657 CB ARG A 104 -9.008 -1.484 0.151 1.00 0.00 C ATOM 1658 CG ARG A 104 -8.353 -0.379 1.009 1.00 0.00 C ATOM 1659 CD ARG A 104 -6.818 -0.380 1.051 1.00 0.00 C ATOM 1660 NE ARG A 104 -6.293 0.893 1.599 1.00 0.00 N ATOM 1661 CZ ARG A 104 -6.085 1.233 2.858 1.00 0.00 C ATOM 1662 NH1 ARG A 104 -6.353 0.451 3.864 1.00 0.00 N ATOM 1663 NH2 ARG A 104 -5.607 2.409 3.131 1.00 0.00 N ATOM 0 H ARG A 104 -8.630 -2.328 2.525 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.643 -3.484 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.635 -1.372 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.079 -1.284 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.686 0.589 0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.725 -0.471 2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.469 -1.213 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.425 -0.535 0.046 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.060 1.606 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.744 -0.476 3.699 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.172 0.766 4.817 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.395 3.061 2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.443 2.680 4.100 1.00 0.00 H new ATOM 1677 N GLY A 105 -7.505 -4.980 0.215 1.00 0.00 N ATOM 1678 CA GLY A 105 -6.460 -5.878 -0.289 1.00 0.00 C ATOM 1679 C GLY A 105 -6.540 -6.131 -1.812 1.00 0.00 C ATOM 1680 O GLY A 105 -7.056 -5.322 -2.588 1.00 0.00 O ATOM 0 H GLY A 105 -8.213 -5.471 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.484 -5.455 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.530 -6.832 0.233 1.00 0.00 H new ATOM 1684 N ILE A 106 -6.017 -7.288 -2.233 1.00 0.00 N ATOM 1685 CA ILE A 106 -6.036 -7.792 -3.624 1.00 0.00 C ATOM 1686 C ILE A 106 -7.402 -8.422 -3.994 1.00 0.00 C ATOM 1687 O ILE A 106 -8.314 -8.439 -3.162 1.00 0.00 O ATOM 1688 CB ILE A 106 -4.843 -8.780 -3.788 1.00 0.00 C ATOM 1689 CG1 ILE A 106 -4.444 -9.140 -5.240 1.00 0.00 C ATOM 1690 CG2 ILE A 106 -5.054 -10.080 -2.983 1.00 0.00 C ATOM 1691 CD1 ILE A 106 -4.350 -7.952 -6.214 1.00 0.00 C ATOM 0 H ILE A 106 -5.548 -7.930 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.915 -6.967 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.007 -8.209 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.479 -9.647 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.170 -9.852 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.198 -10.740 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.154 -9.840 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.959 -10.579 -3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.064 -8.313 -7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.318 -7.454 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.601 -7.246 -5.855 1.00 0.00 H new ATOM 1703 N LEU A 107 -7.543 -8.924 -5.239 1.00 0.00 N ATOM 1704 CA LEU A 107 -8.727 -9.677 -5.723 1.00 0.00 C ATOM 1705 C LEU A 107 -9.245 -10.646 -4.624 1.00 0.00 C ATOM 1706 O LEU A 107 -8.394 -11.279 -3.996 1.00 0.00 O ATOM 1707 CB LEU A 107 -8.336 -10.562 -6.925 1.00 0.00 C ATOM 1708 CG LEU A 107 -8.211 -9.881 -8.297 1.00 0.00 C ATOM 1709 CD1 LEU A 107 -7.782 -10.946 -9.311 1.00 0.00 C ATOM 1710 CD2 LEU A 107 -9.536 -9.273 -8.763 1.00 0.00 C ATOM 0 H LEU A 107 -6.823 -8.817 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.488 -8.945 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.382 -11.036 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.075 -11.358 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.484 -9.073 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.685 -10.491 -10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.824 -11.369 -9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.532 -11.736 -9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.398 -8.803 -9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -10.289 -10.058 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.866 -8.525 -8.043 1.00 0.00 H new ATOM 1722 N PRO A 108 -10.569 -10.818 -4.392 1.00 0.00 N ATOM 1723 CA PRO A 108 -11.150 -11.349 -3.138 1.00 0.00 C ATOM 1724 C PRO A 108 -10.702 -12.739 -2.604 1.00 0.00 C ATOM 1725 O PRO A 108 -11.466 -13.710 -2.597 1.00 0.00 O ATOM 1726 CB PRO A 108 -12.672 -11.262 -3.328 1.00 0.00 C ATOM 1727 CG PRO A 108 -12.830 -10.052 -4.237 1.00 0.00 C ATOM 1728 CD PRO A 108 -11.642 -10.209 -5.179 1.00 0.00 C ATOM 0 HA PRO A 108 -10.751 -10.734 -2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -13.075 -12.166 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -13.191 -11.126 -2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -13.780 -10.064 -4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -12.789 -9.115 -3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.902 -10.836 -6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -11.332 -9.243 -5.577 1.00 0.00 H new ATOM 1736 N CYS A 109 -9.470 -12.817 -2.097 1.00 0.00 N ATOM 1737 CA CYS A 109 -8.823 -13.933 -1.437 1.00 0.00 C ATOM 1738 C CYS A 109 -8.820 -13.640 0.082 1.00 0.00 C ATOM 1739 O CYS A 109 -9.864 -13.289 0.640 1.00 0.00 O ATOM 1740 CB CYS A 109 -7.433 -14.013 -2.081 1.00 0.00 C ATOM 1741 SG CYS A 109 -7.537 -14.386 -3.859 1.00 0.00 S ATOM 0 H CYS A 109 -8.844 -12.013 -2.148 1.00 0.00 H new ATOM 0 HA CYS A 109 -9.314 -14.899 -1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.910 -13.067 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -6.844 -14.782 -1.581 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.882 -13.314 -4.508 1.00 0.00 H new ATOM 1747 N LEU A 110 -7.675 -13.735 0.773 1.00 0.00 N ATOM 1748 CA LEU A 110 -7.546 -13.356 2.191 1.00 0.00 C ATOM 1749 C LEU A 110 -7.362 -11.829 2.285 1.00 0.00 C ATOM 1750 O LEU A 110 -6.278 -11.319 2.557 1.00 0.00 O ATOM 1751 CB LEU A 110 -6.413 -14.150 2.868 1.00 0.00 C ATOM 1752 CG LEU A 110 -6.707 -15.618 3.225 1.00 0.00 C ATOM 1753 CD1 LEU A 110 -7.895 -15.777 4.176 1.00 0.00 C ATOM 1754 CD2 LEU A 110 -6.919 -16.531 2.017 1.00 0.00 C ATOM 0 H LEU A 110 -6.806 -14.079 0.363 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.453 -13.614 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.544 -14.129 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.133 -13.628 3.783 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.795 -15.936 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.051 -16.834 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.691 -15.246 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.791 -15.364 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.120 -17.546 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.765 -16.170 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.023 -16.528 1.397 1.00 0.00 H new ATOM 1766 N LEU A 111 -8.462 -11.110 2.046 1.00 0.00 N ATOM 1767 CA LEU A 111 -8.563 -9.639 1.949 1.00 0.00 C ATOM 1768 C LEU A 111 -8.317 -8.832 3.241 1.00 0.00 C ATOM 1769 O LEU A 111 -8.337 -7.602 3.222 1.00 0.00 O ATOM 1770 CB LEU A 111 -9.882 -9.255 1.230 1.00 0.00 C ATOM 1771 CG LEU A 111 -11.250 -9.371 1.952 1.00 0.00 C ATOM 1772 CD1 LEU A 111 -11.542 -10.757 2.528 1.00 0.00 C ATOM 1773 CD2 LEU A 111 -11.473 -8.350 3.068 1.00 0.00 C ATOM 0 H LEU A 111 -9.366 -11.561 1.905 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.709 -9.331 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.779 -8.219 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.944 -9.866 0.329 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.943 -9.163 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -12.517 -10.751 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.543 -11.492 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.774 -11.017 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.455 -8.508 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.704 -8.471 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.420 -7.343 2.655 1.00 0.00 H new ATOM 1785 N ARG A 112 -8.085 -9.495 4.380 1.00 0.00 N ATOM 1786 CA ARG A 112 -7.921 -8.863 5.705 1.00 0.00 C ATOM 1787 C ARG A 112 -6.468 -8.393 5.920 1.00 0.00 C ATOM 1788 O ARG A 112 -5.800 -8.809 6.865 1.00 0.00 O ATOM 1789 CB ARG A 112 -8.465 -9.794 6.812 1.00 0.00 C ATOM 1790 CG ARG A 112 -9.885 -10.314 6.506 1.00 0.00 C ATOM 1791 CD ARG A 112 -10.524 -11.034 7.699 1.00 0.00 C ATOM 1792 NE ARG A 112 -11.135 -10.083 8.649 1.00 0.00 N ATOM 1793 CZ ARG A 112 -11.713 -10.373 9.800 1.00 0.00 C ATOM 1794 NH1 ARG A 112 -11.721 -11.579 10.296 1.00 0.00 N ATOM 1795 NH2 ARG A 112 -12.308 -9.429 10.468 1.00 0.00 N ATOM 0 H ARG A 112 -8.003 -10.511 4.412 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.521 -7.954 5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.790 -10.641 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -8.475 -9.257 7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.518 -9.477 6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -9.842 -10.996 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.284 -11.728 7.340 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.768 -11.627 8.214 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.108 -9.097 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -11.269 -12.341 9.791 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -12.179 -11.760 11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.324 -8.477 10.101 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.758 -9.640 11.359 1.00 0.00 H new ATOM 1809 N HIS A 113 -5.974 -7.557 5.002 1.00 0.00 N ATOM 1810 CA HIS A 113 -4.587 -7.067 4.942 1.00 0.00 C ATOM 1811 C HIS A 113 -4.149 -6.267 6.171 1.00 0.00 C ATOM 1812 O HIS A 113 -4.889 -5.450 6.724 1.00 0.00 O ATOM 1813 CB HIS A 113 -4.328 -6.277 3.643 1.00 0.00 C ATOM 1814 CG HIS A 113 -4.514 -7.051 2.355 1.00 0.00 C ATOM 1815 ND1 HIS A 113 -5.369 -8.136 2.170 1.00 0.00 N ATOM 1816 CD2 HIS A 113 -3.672 -6.992 1.281 1.00 0.00 C ATOM 1817 CE1 HIS A 113 -5.003 -8.728 1.025 1.00 0.00 C ATOM 1818 NE2 HIS A 113 -3.994 -8.050 0.455 1.00 0.00 N ATOM 0 H HIS A 113 -6.551 -7.186 4.247 1.00 0.00 H new ATOM 0 HA HIS A 113 -3.965 -7.962 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -4.993 -5.414 3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -3.308 -5.893 3.670 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -2.900 -6.256 1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -5.454 -9.621 0.619 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -3.545 -8.277 -0.432 1.00 0.00 H new ATOM 1826 N CYS A 114 -2.896 -6.509 6.537 1.00 0.00 N ATOM 1827 CA CYS A 114 -2.133 -5.950 7.640 1.00 0.00 C ATOM 1828 C CYS A 114 -0.708 -5.606 7.152 1.00 0.00 C ATOM 1829 O CYS A 114 -0.399 -5.752 5.969 1.00 0.00 O ATOM 1830 CB CYS A 114 -2.081 -6.985 8.772 1.00 0.00 C ATOM 1831 SG CYS A 114 -3.694 -7.705 9.211 1.00 0.00 S ATOM 0 H CYS A 114 -2.331 -7.174 6.009 1.00 0.00 H new ATOM 0 HA CYS A 114 -2.603 -5.038 8.008 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -1.405 -7.789 8.481 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -1.654 -6.515 9.658 1.00 0.00 H new ATOM 0 HG CYS A 114 -4.296 -8.112 8.133 1.00 0.00 H new ATOM 1837 N CYS A 115 0.199 -5.245 8.062 1.00 0.00 N ATOM 1838 CA CYS A 115 1.548 -4.775 7.708 1.00 0.00 C ATOM 1839 C CYS A 115 2.653 -5.845 7.811 1.00 0.00 C ATOM 1840 O CYS A 115 2.693 -6.629 8.762 1.00 0.00 O ATOM 1841 CB CYS A 115 1.897 -3.546 8.563 1.00 0.00 C ATOM 1842 SG CYS A 115 0.757 -2.178 8.191 1.00 0.00 S ATOM 0 H CYS A 115 0.023 -5.269 9.066 1.00 0.00 H new ATOM 0 HA CYS A 115 1.515 -4.513 6.650 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.838 -3.801 9.621 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.924 -3.237 8.367 1.00 0.00 H new ATOM 0 HG CYS A 115 1.063 -1.147 8.922 1.00 0.00 H new ATOM 1848 N THR A 116 3.580 -5.834 6.843 1.00 0.00 N ATOM 1849 CA THR A 116 4.790 -6.681 6.786 1.00 0.00 C ATOM 1850 C THR A 116 6.043 -5.922 7.254 1.00 0.00 C ATOM 1851 O THR A 116 5.983 -4.730 7.567 1.00 0.00 O ATOM 1852 CB THR A 116 4.967 -7.306 5.387 1.00 0.00 C ATOM 1853 OG1 THR A 116 5.859 -8.392 5.471 1.00 0.00 O ATOM 1854 CG2 THR A 116 5.509 -6.364 4.318 1.00 0.00 C ATOM 0 H THR A 116 3.508 -5.208 6.041 1.00 0.00 H new ATOM 0 HA THR A 116 4.652 -7.504 7.488 1.00 0.00 H new ATOM 0 HB THR A 116 3.961 -7.596 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 116 6.318 -8.506 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 116 5.597 -6.899 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.828 -5.521 4.197 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.490 -5.997 4.620 1.00 0.00 H new ATOM 1862 N ARG A 117 7.187 -6.614 7.324 1.00 0.00 N ATOM 1863 CA ARG A 117 8.467 -6.102 7.850 1.00 0.00 C ATOM 1864 C ARG A 117 9.090 -5.021 6.946 1.00 0.00 C ATOM 1865 O ARG A 117 8.967 -5.076 5.722 1.00 0.00 O ATOM 1866 CB ARG A 117 9.408 -7.304 8.083 1.00 0.00 C ATOM 1867 CG ARG A 117 10.709 -6.941 8.823 1.00 0.00 C ATOM 1868 CD ARG A 117 11.539 -8.181 9.182 1.00 0.00 C ATOM 1869 NE ARG A 117 10.895 -9.001 10.231 1.00 0.00 N ATOM 1870 CZ ARG A 117 11.326 -10.161 10.700 1.00 0.00 C ATOM 1871 NH1 ARG A 117 12.413 -10.726 10.256 1.00 0.00 N ATOM 1872 NH2 ARG A 117 10.663 -10.781 11.634 1.00 0.00 N ATOM 0 H ARG A 117 7.253 -7.581 7.006 1.00 0.00 H new ATOM 0 HA ARG A 117 8.292 -5.595 8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.876 -8.064 8.655 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.661 -7.748 7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 117 11.306 -6.275 8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.466 -6.393 9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 117 11.687 -8.788 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 117 12.526 -7.869 9.522 1.00 0.00 H new ATOM 0 HE ARG A 117 10.032 -8.636 10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.961 -10.273 9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.716 -11.621 10.640 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.806 -10.373 12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 117 11.000 -11.675 11.991 1.00 0.00 H new ATOM 1966 N PRO B1137 5.892 -8.506 -12.559 1.00 0.00 N ATOM 1967 CA PRO B1137 4.664 -7.740 -12.321 1.00 0.00 C ATOM 1968 C PRO B1137 4.937 -6.364 -11.686 1.00 0.00 C ATOM 1969 O PRO B1137 5.810 -6.228 -10.830 1.00 0.00 O ATOM 1970 CB PRO B1137 3.813 -8.627 -11.408 1.00 0.00 C ATOM 1971 CG PRO B1137 4.853 -9.378 -10.578 1.00 0.00 C ATOM 1972 CD PRO B1137 6.026 -9.547 -11.545 1.00 0.00 C ATOM 0 HA PRO B1137 4.156 -7.510 -13.258 1.00 0.00 H new ATOM 0 HB2 PRO B1137 3.147 -8.036 -10.779 1.00 0.00 H new ATOM 0 HB3 PRO B1137 3.186 -9.310 -11.981 1.00 0.00 H new ATOM 0 HG2 PRO B1137 5.142 -8.814 -9.691 1.00 0.00 H new ATOM 0 HG3 PRO B1137 4.474 -10.340 -10.235 1.00 0.00 H new ATOM 0 HD2 PRO B1137 6.976 -9.454 -11.019 1.00 0.00 H new ATOM 0 HD3 PRO B1137 6.010 -10.536 -12.002 1.00 0.00 H new ATOM 1980 N GLU B1138 4.170 -5.351 -12.089 1.00 0.00 N ATOM 1981 CA GLU B1138 4.283 -3.965 -11.610 1.00 0.00 C ATOM 1982 C GLU B1138 3.104 -3.558 -10.703 1.00 0.00 C ATOM 1983 O GLU B1138 3.035 -3.974 -9.545 1.00 0.00 O ATOM 1984 CB GLU B1138 4.534 -3.019 -12.810 1.00 0.00 C ATOM 1985 CG GLU B1138 6.012 -3.037 -13.194 1.00 0.00 C ATOM 1986 CD GLU B1138 6.297 -2.346 -14.537 1.00 0.00 C ATOM 1987 OE1 GLU B1138 6.539 -1.115 -14.519 1.00 0.00 O ATOM 1988 OE2 GLU B1138 6.348 -3.026 -15.592 1.00 0.00 O ATOM 0 H GLU B1138 3.429 -5.472 -12.779 1.00 0.00 H new ATOM 0 HA GLU B1138 5.150 -3.879 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU B1138 3.926 -3.328 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU B1138 4.230 -2.004 -12.553 1.00 0.00 H new ATOM 0 HG2 GLU B1138 6.590 -2.547 -12.411 1.00 0.00 H new ATOM 0 HG3 GLU B1138 6.355 -4.070 -13.244 1.00 0.00 H new ATOM 2019 N VAL B1140 -1.367 -2.403 -10.020 1.00 0.00 N ATOM 2020 CA VAL B1140 -2.717 -3.040 -9.862 1.00 0.00 C ATOM 2021 C VAL B1140 -3.878 -2.149 -10.214 1.00 0.00 C ATOM 2022 O VAL B1140 -4.957 -2.711 -10.388 1.00 0.00 O ATOM 2023 CB VAL B1140 -2.941 -3.693 -8.461 1.00 0.00 C ATOM 2024 CG1 VAL B1140 -4.332 -4.077 -7.979 1.00 0.00 C ATOM 2025 CG2 VAL B1140 -2.146 -5.005 -8.347 1.00 0.00 C ATOM 0 HA VAL B1140 -2.697 -3.837 -10.605 1.00 0.00 H new ATOM 0 HB VAL B1140 -2.630 -2.852 -7.842 1.00 0.00 H new ATOM 0 HG11 VAL B1140 -4.264 -4.514 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL B1140 -4.963 -3.189 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL B1140 -4.767 -4.804 -8.665 1.00 0.00 H new ATOM 0 HG21 VAL B1140 -2.313 -5.447 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL B1140 -2.477 -5.700 -9.119 1.00 0.00 H new ATOM 0 HG23 VAL B1140 -1.083 -4.799 -8.476 1.00 0.00 H new ATOM 2035 N ASN B1141 -3.761 -0.802 -10.315 1.00 0.00 N ATOM 2036 CA ASN B1141 -4.948 -0.146 -10.916 1.00 0.00 C ATOM 2037 C ASN B1141 -5.017 -0.821 -12.343 1.00 0.00 C ATOM 2038 O ASN B1141 -6.088 -1.102 -12.872 1.00 0.00 O ATOM 2039 CB ASN B1141 -5.026 1.393 -10.894 1.00 0.00 C ATOM 2040 CG ASN B1141 -4.270 2.195 -9.845 1.00 0.00 C ATOM 2041 OD1 ASN B1141 -3.995 3.365 -10.018 1.00 0.00 O ATOM 2042 ND2 ASN B1141 -3.922 1.665 -8.698 1.00 0.00 N ATOM 0 H ASN B1141 -2.976 -0.215 -10.033 1.00 0.00 H new ATOM 0 HA ASN B1141 -5.837 -0.309 -10.307 1.00 0.00 H new ATOM 0 HB2 ASN B1141 -4.691 1.745 -11.870 1.00 0.00 H new ATOM 0 HB3 ASN B1141 -6.079 1.659 -10.804 1.00 0.00 H new ATOM 0 HD21 ASN B1141 -3.442 2.232 -7.999 1.00 0.00 H new ATOM 0 HD22 ASN B1141 -4.131 0.686 -8.505 1.00 0.00 H new ATOM 2049 N GLN B1142 -3.809 -1.216 -12.804 1.00 0.00 N ATOM 2050 CA GLN B1142 -3.303 -2.004 -13.891 1.00 0.00 C ATOM 2051 C GLN B1142 -1.954 -2.522 -13.388 1.00 0.00 C ATOM 2052 O GLN B1142 -1.333 -1.780 -12.628 1.00 0.00 O ATOM 2053 CB GLN B1142 -2.840 -1.118 -15.047 1.00 0.00 C ATOM 2054 CG GLN B1142 -3.839 -0.494 -16.045 1.00 0.00 C ATOM 2055 CD GLN B1142 -5.003 0.330 -15.483 1.00 0.00 C ATOM 2056 OE1 GLN B1142 -6.158 -0.060 -15.584 1.00 0.00 O ATOM 2057 NE2 GLN B1142 -4.799 1.517 -14.935 1.00 0.00 N ATOM 0 H GLN B1142 -3.002 -0.893 -12.270 1.00 0.00 H new ATOM 0 HA GLN B1142 -4.062 -2.726 -14.192 1.00 0.00 H new ATOM 0 HB2 GLN B1142 -2.278 -0.294 -14.607 1.00 0.00 H new ATOM 0 HB3 GLN B1142 -2.135 -1.708 -15.633 1.00 0.00 H new ATOM 0 HG2 GLN B1142 -3.276 0.145 -16.725 1.00 0.00 H new ATOM 0 HG3 GLN B1142 -4.261 -1.302 -16.643 1.00 0.00 H new ATOM 0 HE21 GLN B1142 -3.850 1.876 -14.834 1.00 0.00 H new ATOM 0 HE22 GLN B1142 -5.591 2.073 -14.614 1.00 0.00 H new ATOM 2066 N PRO B1143 -1.376 -3.612 -13.920 1.00 0.00 N ATOM 2067 CA PRO B1143 0.077 -3.790 -13.917 1.00 0.00 C ATOM 2068 C PRO B1143 0.743 -2.793 -14.904 1.00 0.00 C ATOM 2069 O PRO B1143 1.396 -3.155 -15.885 1.00 0.00 O ATOM 2070 CB PRO B1143 0.263 -5.271 -14.255 1.00 0.00 C ATOM 2071 CG PRO B1143 -0.891 -5.544 -15.223 1.00 0.00 C ATOM 2072 CD PRO B1143 -2.024 -4.662 -14.692 1.00 0.00 C ATOM 0 HA PRO B1143 0.565 -3.565 -12.969 1.00 0.00 H new ATOM 0 HB2 PRO B1143 1.232 -5.462 -14.716 1.00 0.00 H new ATOM 0 HB3 PRO B1143 0.203 -5.900 -13.366 1.00 0.00 H new ATOM 0 HG2 PRO B1143 -0.625 -5.282 -16.247 1.00 0.00 H new ATOM 0 HG3 PRO B1143 -1.171 -6.597 -15.226 1.00 0.00 H new ATOM 0 HD2 PRO B1143 -2.610 -4.242 -15.510 1.00 0.00 H new ATOM 0 HD3 PRO B1143 -2.710 -5.238 -14.071 1.00 0.00 H new ATOM 2080 N ASP B1144 0.502 -1.517 -14.592 1.00 0.00 N ATOM 2081 CA ASP B1144 0.782 -0.236 -15.236 1.00 0.00 C ATOM 2082 C ASP B1144 0.630 -0.213 -16.781 1.00 0.00 C ATOM 2083 O ASP B1144 1.634 -0.355 -17.519 1.00 0.00 O ATOM 2084 CB ASP B1144 2.111 0.379 -14.749 1.00 0.00 C ATOM 2085 CG ASP B1144 2.434 1.743 -15.410 1.00 0.00 C ATOM 2086 OD1 ASP B1144 1.529 2.609 -15.518 1.00 0.00 O ATOM 2087 OD2 ASP B1144 3.612 1.980 -15.782 1.00 0.00 O ATOM 2088 OXT ASP B1144 -0.515 -0.025 -17.259 1.00 0.00 O ATOM 0 H ASP B1144 0.014 -1.334 -13.715 1.00 0.00 H new ATOM 0 HA ASP B1144 -0.023 0.417 -14.900 1.00 0.00 H new ATOM 0 HB2 ASP B1144 2.069 0.508 -13.668 1.00 0.00 H new ATOM 0 HB3 ASP B1144 2.923 -0.318 -14.955 1.00 0.00 H new