USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 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 29 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.315) USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= -0.137 F(o=-0.7,f=-0.14) USER MOD Single : A 17 ASN : amide:sc= -0.789 X(o=-0.79,f=-0.79) USER MOD Single : A 22 SER OG : rot 91:sc= 0.638 USER MOD Single : A 25 THR OG1 : rot 69:sc= 0.99 USER MOD Single : A 26 MET CE :methyl 145:sc= -0.502 (180deg=-2.03!) USER MOD Single : A 30 CYS SG : rot 6:sc= -0.0258 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.961 USER MOD Single : A 36 GLN : amide:sc= -0.068 X(o=-0.068,f=0) USER MOD Single : A 39 THR OG1 : rot 70:sc= 0.18 USER MOD Single : A 40 HIS : no HD1:sc= -0.0246 K(o=-0.025,f=-0.96) USER MOD Single : A 43 ASN :FLIP amide:sc= 0.567 F(o=0,f=0.57) USER MOD Single : A 44 GLN : amide:sc= -0.0466 K(o=-0.047,f=-2.2!) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.189) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0932 K(o=-0.093,f=-1.1!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 252 N ILE A 15 49.847 5.080 0.631 1.00 0.00 N ATOM 253 CA ILE A 15 50.928 4.775 -0.352 1.00 0.00 C ATOM 254 C ILE A 15 50.949 5.849 -1.438 1.00 0.00 C ATOM 255 O ILE A 15 50.220 5.776 -2.409 1.00 0.00 O ATOM 256 CB ILE A 15 50.665 3.396 -0.981 1.00 0.00 C ATOM 257 CG1 ILE A 15 50.742 2.320 0.112 1.00 0.00 C ATOM 258 CG2 ILE A 15 51.708 3.098 -2.070 1.00 0.00 C ATOM 259 CD1 ILE A 15 52.148 2.290 0.731 1.00 0.00 C ATOM 0 HA ILE A 15 51.894 4.763 0.153 1.00 0.00 H new ATOM 0 HB ILE A 15 49.674 3.394 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 15 50.001 2.523 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 15 50.502 1.344 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 15 51.509 2.119 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 15 51.650 3.860 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 15 52.705 3.103 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 15 52.189 1.523 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 15 52.882 2.064 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 15 52.372 3.261 1.171 1.00 0.00 H new ATOM 271 N GLU A 16 51.808 6.826 -1.293 1.00 0.00 N ATOM 272 CA GLU A 16 51.914 7.882 -2.325 1.00 0.00 C ATOM 273 C GLU A 16 52.518 7.238 -3.566 1.00 0.00 C ATOM 274 O GLU A 16 53.009 6.128 -3.508 1.00 0.00 O ATOM 275 CB GLU A 16 52.825 9.010 -1.818 1.00 0.00 C ATOM 276 CG GLU A 16 52.002 10.282 -1.596 1.00 0.00 C ATOM 277 CD GLU A 16 51.830 11.019 -2.927 1.00 0.00 C ATOM 278 OE1 GLU A 16 52.813 11.158 -3.636 1.00 0.00 O ATOM 279 OE2 GLU A 16 50.718 11.432 -3.212 1.00 0.00 O ATOM 0 H GLU A 16 52.439 6.932 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 16 50.937 8.310 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.306 8.710 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.619 9.201 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.027 10.029 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.499 10.928 -0.872 1.00 0.00 H new ATOM 286 N ASN A 17 52.486 7.909 -4.677 1.00 0.00 N ATOM 287 CA ASN A 17 53.065 7.317 -5.911 1.00 0.00 C ATOM 288 C ASN A 17 54.586 7.347 -5.805 1.00 0.00 C ATOM 289 O ASN A 17 55.269 6.465 -6.292 1.00 0.00 O ATOM 290 CB ASN A 17 52.608 8.113 -7.134 1.00 0.00 C ATOM 291 CG ASN A 17 52.941 9.593 -6.932 1.00 0.00 C ATOM 292 OD1 ASN A 17 54.033 10.029 -7.236 1.00 0.00 O ATOM 293 ND2 ASN A 17 52.038 10.390 -6.429 1.00 0.00 N ATOM 0 H ASN A 17 52.085 8.841 -4.786 1.00 0.00 H new ATOM 0 HA ASN A 17 52.726 6.287 -6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 17 53.101 7.737 -8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 17 51.536 7.987 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 17 52.250 11.378 -6.292 1.00 0.00 H new ATOM 0 HD22 ASN A 17 51.121 10.025 -6.173 1.00 0.00 H new ATOM 300 N ARG A 18 55.116 8.347 -5.155 1.00 0.00 N ATOM 301 CA ARG A 18 56.591 8.438 -4.991 1.00 0.00 C ATOM 302 C ARG A 18 57.034 7.505 -3.859 1.00 0.00 C ATOM 303 O ARG A 18 58.187 7.119 -3.789 1.00 0.00 O ATOM 304 CB ARG A 18 56.980 9.884 -4.652 1.00 0.00 C ATOM 305 CG ARG A 18 57.582 10.564 -5.884 1.00 0.00 C ATOM 306 CD ARG A 18 58.398 11.781 -5.447 1.00 0.00 C ATOM 307 NE ARG A 18 59.201 12.281 -6.597 1.00 0.00 N ATOM 308 CZ ARG A 18 60.068 13.239 -6.419 1.00 0.00 C ATOM 309 NH1 ARG A 18 59.663 14.434 -6.083 1.00 0.00 N ATOM 310 NH2 ARG A 18 61.342 13.001 -6.575 1.00 0.00 N ATOM 0 H ARG A 18 54.586 9.108 -4.729 1.00 0.00 H new ATOM 0 HA ARG A 18 57.082 8.141 -5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.103 10.436 -4.313 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.699 9.894 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 18 58.217 9.863 -6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 18 56.790 10.870 -6.567 1.00 0.00 H new ATOM 0 HD2 ARG A 18 57.734 12.566 -5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 18 59.056 11.513 -4.620 1.00 0.00 H new ATOM 0 HE ARG A 18 59.073 11.874 -7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 18 58.668 14.619 -5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 18 60.342 15.182 -5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 18 61.658 12.067 -6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 18 62.021 13.749 -6.436 1.00 0.00 H new ATOM 324 N VAL A 19 56.134 7.136 -2.970 1.00 0.00 N ATOM 325 CA VAL A 19 56.528 6.229 -1.856 1.00 0.00 C ATOM 326 C VAL A 19 56.615 4.797 -2.383 1.00 0.00 C ATOM 327 O VAL A 19 57.544 4.080 -2.085 1.00 0.00 O ATOM 328 CB VAL A 19 55.526 6.349 -0.678 1.00 0.00 C ATOM 329 CG1 VAL A 19 54.447 5.247 -0.700 1.00 0.00 C ATOM 330 CG2 VAL A 19 56.314 6.239 0.626 1.00 0.00 C ATOM 0 H VAL A 19 55.156 7.424 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 19 57.507 6.517 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 19 55.013 7.307 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 19 53.774 5.380 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 19 53.880 5.312 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 19 54.924 4.269 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 19 55.631 6.320 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 19 56.824 5.276 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 19 57.050 7.042 0.675 1.00 0.00 H new ATOM 340 N ARG A 20 55.640 4.383 -3.148 1.00 0.00 N ATOM 341 CA ARG A 20 55.658 2.997 -3.693 1.00 0.00 C ATOM 342 C ARG A 20 56.837 2.844 -4.645 1.00 0.00 C ATOM 343 O ARG A 20 57.524 1.834 -4.638 1.00 0.00 O ATOM 344 CB ARG A 20 54.343 2.711 -4.429 1.00 0.00 C ATOM 345 CG ARG A 20 54.137 3.718 -5.566 1.00 0.00 C ATOM 346 CD ARG A 20 52.814 3.418 -6.271 1.00 0.00 C ATOM 347 NE ARG A 20 51.714 4.170 -5.608 1.00 0.00 N ATOM 348 CZ ARG A 20 50.520 4.168 -6.132 1.00 0.00 C ATOM 349 NH1 ARG A 20 49.701 3.183 -5.883 1.00 0.00 N ATOM 350 NH2 ARG A 20 50.148 5.148 -6.909 1.00 0.00 N ATOM 0 H ARG A 20 54.833 4.945 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 20 55.764 2.284 -2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.356 1.698 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 20 53.508 2.766 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 20 54.130 4.734 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 20 54.962 3.657 -6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 20 52.878 3.699 -7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 20 52.608 2.348 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 20 51.894 4.685 -4.746 1.00 0.00 H new ATOM 0 HH11 ARG A 20 49.995 2.416 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 20 48.767 3.181 -6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 20 50.791 5.915 -7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 20 49.214 5.147 -7.319 1.00 0.00 H new ATOM 364 N TRP A 21 57.090 3.837 -5.454 1.00 0.00 N ATOM 365 CA TRP A 21 58.235 3.734 -6.399 1.00 0.00 C ATOM 366 C TRP A 21 59.528 4.221 -5.736 1.00 0.00 C ATOM 367 O TRP A 21 60.592 4.187 -6.323 1.00 0.00 O ATOM 368 CB TRP A 21 57.871 4.411 -7.725 1.00 0.00 C ATOM 369 CG TRP A 21 56.579 3.774 -8.188 1.00 0.00 C ATOM 370 CD1 TRP A 21 55.526 4.427 -8.733 1.00 0.00 C ATOM 371 CD2 TRP A 21 56.176 2.363 -8.095 1.00 0.00 C ATOM 372 NE1 TRP A 21 54.505 3.514 -8.973 1.00 0.00 N ATOM 373 CE2 TRP A 21 54.860 2.230 -8.595 1.00 0.00 C ATOM 374 CE3 TRP A 21 56.818 1.195 -7.631 1.00 0.00 C ATOM 375 CZ2 TRP A 21 54.209 0.984 -8.619 1.00 0.00 C ATOM 376 CZ3 TRP A 21 56.174 -0.039 -7.657 1.00 0.00 C ATOM 377 CH2 TRP A 21 54.870 -0.149 -8.142 1.00 0.00 C ATOM 0 H TRP A 21 56.559 4.706 -5.501 1.00 0.00 H new ATOM 0 HA TRP A 21 58.440 2.694 -6.653 1.00 0.00 H new ATOM 0 HB2 TRP A 21 57.748 5.486 -7.592 1.00 0.00 H new ATOM 0 HB3 TRP A 21 58.660 4.269 -8.463 1.00 0.00 H new ATOM 0 HD1 TRP A 21 55.485 5.485 -8.947 1.00 0.00 H new ATOM 0 HE1 TRP A 21 53.602 3.761 -9.379 1.00 0.00 H new ATOM 0 HE3 TRP A 21 57.826 1.260 -7.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 53.203 0.904 -9.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 56.688 -0.919 -7.299 1.00 0.00 H new ATOM 0 HH2 TRP A 21 54.374 -1.108 -8.148 1.00 0.00 H new ATOM 388 N SER A 22 59.454 4.522 -4.457 1.00 0.00 N ATOM 389 CA SER A 22 60.667 4.831 -3.678 1.00 0.00 C ATOM 390 C SER A 22 61.108 3.458 -3.149 1.00 0.00 C ATOM 391 O SER A 22 62.275 3.112 -3.156 1.00 0.00 O ATOM 392 CB SER A 22 60.343 5.781 -2.522 1.00 0.00 C ATOM 393 OG SER A 22 60.764 7.095 -2.862 1.00 0.00 O ATOM 0 H SER A 22 58.584 4.563 -3.926 1.00 0.00 H new ATOM 0 HA SER A 22 61.437 5.329 -4.267 1.00 0.00 H new ATOM 0 HB2 SER A 22 59.272 5.771 -2.317 1.00 0.00 H new ATOM 0 HB3 SER A 22 60.844 5.450 -1.613 1.00 0.00 H new ATOM 0 HG SER A 22 60.029 7.570 -3.303 1.00 0.00 H new ATOM 399 N LEU A 23 60.134 2.635 -2.766 1.00 0.00 N ATOM 400 CA LEU A 23 60.422 1.236 -2.321 1.00 0.00 C ATOM 401 C LEU A 23 61.185 0.549 -3.436 1.00 0.00 C ATOM 402 O LEU A 23 62.194 -0.083 -3.223 1.00 0.00 O ATOM 403 CB LEU A 23 59.119 0.436 -2.182 1.00 0.00 C ATOM 404 CG LEU A 23 58.178 1.003 -1.135 1.00 0.00 C ATOM 405 CD1 LEU A 23 56.754 0.588 -1.530 1.00 0.00 C ATOM 406 CD2 LEU A 23 58.520 0.405 0.232 1.00 0.00 C ATOM 0 H LEU A 23 59.146 2.889 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 23 60.962 1.275 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.609 0.414 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 23 59.359 -0.596 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 23 58.266 2.088 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 23 56.045 0.978 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 23 56.518 0.990 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 23 56.686 -0.500 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 23 57.845 0.811 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 23 58.410 -0.679 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.548 0.657 0.492 1.00 0.00 H new ATOM 418 N GLU A 24 60.660 0.659 -4.631 1.00 0.00 N ATOM 419 CA GLU A 24 61.298 0.005 -5.807 1.00 0.00 C ATOM 420 C GLU A 24 62.706 0.554 -6.006 1.00 0.00 C ATOM 421 O GLU A 24 63.588 -0.148 -6.454 1.00 0.00 O ATOM 422 CB GLU A 24 60.459 0.272 -7.056 1.00 0.00 C ATOM 423 CG GLU A 24 60.756 -0.797 -8.109 1.00 0.00 C ATOM 424 CD GLU A 24 60.514 -0.223 -9.508 1.00 0.00 C ATOM 425 OE1 GLU A 24 60.729 0.966 -9.686 1.00 0.00 O ATOM 426 OE2 GLU A 24 60.121 -0.982 -10.377 1.00 0.00 O ATOM 0 H GLU A 24 59.808 1.180 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 24 61.357 -1.069 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 24 59.399 0.264 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 24 60.684 1.262 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 24 61.788 -1.135 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 24 60.120 -1.667 -7.947 1.00 0.00 H new ATOM 433 N THR A 25 62.930 1.797 -5.666 1.00 0.00 N ATOM 434 CA THR A 25 64.296 2.375 -5.824 1.00 0.00 C ATOM 435 C THR A 25 65.251 1.626 -4.892 1.00 0.00 C ATOM 436 O THR A 25 66.414 1.439 -5.193 1.00 0.00 O ATOM 437 CB THR A 25 64.273 3.864 -5.462 1.00 0.00 C ATOM 438 OG1 THR A 25 63.319 4.530 -6.277 1.00 0.00 O ATOM 439 CG2 THR A 25 65.658 4.481 -5.690 1.00 0.00 C ATOM 0 H THR A 25 62.229 2.434 -5.287 1.00 0.00 H new ATOM 0 HA THR A 25 64.629 2.272 -6.857 1.00 0.00 H new ATOM 0 HB THR A 25 64.003 3.974 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 25 62.416 4.243 -6.026 1.00 0.00 H new ATOM 0 HG21 THR A 25 65.632 5.539 -5.430 1.00 0.00 H new ATOM 0 HG22 THR A 25 66.391 3.972 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 25 65.937 4.371 -6.738 1.00 0.00 H new ATOM 447 N MET A 26 64.756 1.202 -3.757 1.00 0.00 N ATOM 448 CA MET A 26 65.615 0.464 -2.782 1.00 0.00 C ATOM 449 C MET A 26 65.680 -1.041 -3.122 1.00 0.00 C ATOM 450 O MET A 26 66.626 -1.715 -2.761 1.00 0.00 O ATOM 451 CB MET A 26 65.031 0.639 -1.378 1.00 0.00 C ATOM 452 CG MET A 26 66.165 0.740 -0.358 1.00 0.00 C ATOM 453 SD MET A 26 67.010 2.329 -0.554 1.00 0.00 S ATOM 454 CE MET A 26 65.623 3.384 -0.069 1.00 0.00 C ATOM 0 H MET A 26 63.789 1.336 -3.462 1.00 0.00 H new ATOM 0 HA MET A 26 66.626 0.869 -2.831 1.00 0.00 H new ATOM 0 HB2 MET A 26 64.413 1.536 -1.340 1.00 0.00 H new ATOM 0 HB3 MET A 26 64.384 -0.204 -1.135 1.00 0.00 H new ATOM 0 HG2 MET A 26 65.769 0.649 0.653 1.00 0.00 H new ATOM 0 HG3 MET A 26 66.870 -0.079 -0.499 1.00 0.00 H new ATOM 0 HE1 MET A 26 65.999 4.254 0.470 1.00 0.00 H new ATOM 0 HE2 MET A 26 65.087 3.712 -0.959 1.00 0.00 H new ATOM 0 HE3 MET A 26 64.947 2.822 0.575 1.00 0.00 H new ATOM 464 N PHE A 27 64.683 -1.578 -3.793 1.00 0.00 N ATOM 465 CA PHE A 27 64.698 -3.044 -4.128 1.00 0.00 C ATOM 466 C PHE A 27 65.354 -3.299 -5.491 1.00 0.00 C ATOM 467 O PHE A 27 65.618 -4.435 -5.844 1.00 0.00 O ATOM 468 CB PHE A 27 63.262 -3.591 -4.175 1.00 0.00 C ATOM 469 CG PHE A 27 62.700 -3.683 -2.779 1.00 0.00 C ATOM 470 CD1 PHE A 27 63.311 -4.511 -1.830 1.00 0.00 C ATOM 471 CD2 PHE A 27 61.562 -2.944 -2.436 1.00 0.00 C ATOM 472 CE1 PHE A 27 62.785 -4.599 -0.537 1.00 0.00 C ATOM 473 CE2 PHE A 27 61.035 -3.033 -1.143 1.00 0.00 C ATOM 474 CZ PHE A 27 61.647 -3.860 -0.194 1.00 0.00 C ATOM 0 H PHE A 27 63.863 -1.068 -4.122 1.00 0.00 H new ATOM 0 HA PHE A 27 65.274 -3.549 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 27 62.636 -2.941 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 27 63.254 -4.574 -4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 27 64.188 -5.082 -2.096 1.00 0.00 H new ATOM 0 HD2 PHE A 27 61.091 -2.306 -3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 27 63.257 -5.237 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 27 60.156 -2.464 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 27 61.241 -3.928 0.804 1.00 0.00 H new ATOM 484 N LEU A 28 65.594 -2.275 -6.273 1.00 0.00 N ATOM 485 CA LEU A 28 66.200 -2.492 -7.622 1.00 0.00 C ATOM 486 C LEU A 28 67.731 -2.412 -7.568 1.00 0.00 C ATOM 487 O LEU A 28 68.364 -1.888 -8.465 1.00 0.00 O ATOM 488 CB LEU A 28 65.644 -1.455 -8.597 1.00 0.00 C ATOM 489 CG LEU A 28 64.165 -1.761 -8.854 1.00 0.00 C ATOM 490 CD1 LEU A 28 63.553 -0.658 -9.716 1.00 0.00 C ATOM 491 CD2 LEU A 28 64.034 -3.106 -9.578 1.00 0.00 C ATOM 0 H LEU A 28 65.397 -1.303 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 28 65.939 -3.493 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 65.756 -0.452 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 28 66.202 -1.479 -9.533 1.00 0.00 H new ATOM 0 HG LEU A 28 63.639 -1.810 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 28 62.501 -0.879 -9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 28 63.639 0.298 -9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 28 64.081 -0.605 -10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 28 62.981 -3.321 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.564 -3.060 -10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 28 64.464 -3.895 -8.961 1.00 0.00 H new ATOM 503 N LYS A 29 68.328 -2.960 -6.542 1.00 0.00 N ATOM 504 CA LYS A 29 69.817 -2.960 -6.440 1.00 0.00 C ATOM 505 C LYS A 29 70.280 -4.416 -6.341 1.00 0.00 C ATOM 506 O LYS A 29 71.202 -4.839 -7.011 1.00 0.00 O ATOM 507 CB LYS A 29 70.272 -2.169 -5.200 1.00 0.00 C ATOM 508 CG LYS A 29 69.685 -2.788 -3.925 1.00 0.00 C ATOM 509 CD LYS A 29 69.767 -1.780 -2.778 1.00 0.00 C ATOM 510 CE LYS A 29 69.627 -2.517 -1.444 1.00 0.00 C ATOM 511 NZ LYS A 29 69.488 -1.526 -0.340 1.00 0.00 N ATOM 0 H LYS A 29 67.844 -3.411 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 29 70.254 -2.482 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 29 71.360 -2.166 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 29 69.954 -1.130 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 29 68.648 -3.078 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 29 70.231 -3.695 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 29 70.717 -1.248 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 29 68.979 -1.033 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 29 68.757 -3.174 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 29 70.499 -3.149 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 70.047 -1.838 0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 69.832 -0.598 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.488 -1.449 -0.067 1.00 0.00 H new ATOM 525 N CYS A 30 69.614 -5.183 -5.520 1.00 0.00 N ATOM 526 CA CYS A 30 69.946 -6.613 -5.363 1.00 0.00 C ATOM 527 C CYS A 30 68.623 -7.380 -5.179 1.00 0.00 C ATOM 528 O CYS A 30 67.715 -6.864 -4.558 1.00 0.00 O ATOM 529 CB CYS A 30 70.827 -6.806 -4.127 1.00 0.00 C ATOM 530 SG CYS A 30 72.408 -5.961 -4.373 1.00 0.00 S ATOM 0 H CYS A 30 68.837 -4.863 -4.942 1.00 0.00 H new ATOM 0 HA CYS A 30 70.486 -6.979 -6.236 1.00 0.00 H new ATOM 0 HB2 CYS A 30 70.325 -6.410 -3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 30 70.994 -7.868 -3.949 1.00 0.00 H new ATOM 0 HG CYS A 30 72.371 -5.286 -5.483 1.00 0.00 H new ATOM 536 N PRO A 31 68.534 -8.588 -5.698 1.00 0.00 N ATOM 537 CA PRO A 31 67.318 -9.404 -5.561 1.00 0.00 C ATOM 538 C PRO A 31 67.358 -10.187 -4.241 1.00 0.00 C ATOM 539 O PRO A 31 66.607 -11.126 -4.054 1.00 0.00 O ATOM 540 CB PRO A 31 67.417 -10.387 -6.726 1.00 0.00 C ATOM 541 CG PRO A 31 68.921 -10.488 -7.075 1.00 0.00 C ATOM 542 CD PRO A 31 69.604 -9.248 -6.467 1.00 0.00 C ATOM 0 HA PRO A 31 66.405 -8.808 -5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 31 67.015 -11.361 -6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 31 66.841 -10.036 -7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 31 69.351 -11.404 -6.670 1.00 0.00 H new ATOM 0 HG3 PRO A 31 69.066 -10.519 -8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 31 70.441 -9.528 -5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 31 70.001 -8.592 -7.242 1.00 0.00 H new ATOM 550 N LYS A 32 68.249 -9.836 -3.337 1.00 0.00 N ATOM 551 CA LYS A 32 68.355 -10.588 -2.062 1.00 0.00 C ATOM 552 C LYS A 32 68.178 -9.641 -0.850 1.00 0.00 C ATOM 553 O LYS A 32 69.118 -9.422 -0.110 1.00 0.00 O ATOM 554 CB LYS A 32 69.741 -11.246 -1.998 1.00 0.00 C ATOM 555 CG LYS A 32 70.822 -10.186 -2.256 1.00 0.00 C ATOM 556 CD LYS A 32 72.136 -10.616 -1.599 1.00 0.00 C ATOM 557 CE LYS A 32 72.876 -9.381 -1.078 1.00 0.00 C ATOM 558 NZ LYS A 32 74.322 -9.703 -0.903 1.00 0.00 N ATOM 0 H LYS A 32 68.903 -9.059 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 32 67.570 -11.343 -2.024 1.00 0.00 H new ATOM 0 HB2 LYS A 32 69.893 -11.706 -1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 32 69.812 -12.042 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 32 70.967 -10.054 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 32 70.503 -9.223 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 32 71.936 -11.306 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 32 72.758 -11.148 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 32 72.759 -8.553 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 32 72.447 -9.060 -0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 74.824 -8.864 -0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 74.424 -10.481 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 74.727 -9.989 -1.817 1.00 0.00 H new ATOM 572 N PRO A 33 66.986 -9.105 -0.653 1.00 0.00 N ATOM 573 CA PRO A 33 66.733 -8.203 0.484 1.00 0.00 C ATOM 574 C PRO A 33 66.581 -9.016 1.774 1.00 0.00 C ATOM 575 O PRO A 33 66.171 -10.161 1.750 1.00 0.00 O ATOM 576 CB PRO A 33 65.426 -7.501 0.116 1.00 0.00 C ATOM 577 CG PRO A 33 64.711 -8.418 -0.901 1.00 0.00 C ATOM 578 CD PRO A 33 65.796 -9.329 -1.513 1.00 0.00 C ATOM 0 HA PRO A 33 67.543 -7.495 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 33 64.807 -7.344 0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 33 65.620 -6.519 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 33 63.938 -9.011 -0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 33 64.219 -7.829 -1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 33 65.489 -10.375 -1.504 1.00 0.00 H new ATOM 0 HD3 PRO A 33 65.999 -9.065 -2.551 1.00 0.00 H new ATOM 586 N SER A 34 66.914 -8.430 2.894 1.00 0.00 N ATOM 587 CA SER A 34 66.802 -9.154 4.190 1.00 0.00 C ATOM 588 C SER A 34 65.432 -8.913 4.800 1.00 0.00 C ATOM 589 O SER A 34 64.850 -7.861 4.631 1.00 0.00 O ATOM 590 CB SER A 34 67.877 -8.640 5.148 1.00 0.00 C ATOM 591 OG SER A 34 68.040 -7.240 4.963 1.00 0.00 O ATOM 0 H SER A 34 67.261 -7.474 2.965 1.00 0.00 H new ATOM 0 HA SER A 34 66.937 -10.222 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 34 67.593 -8.852 6.179 1.00 0.00 H new ATOM 0 HB3 SER A 34 68.820 -9.155 4.965 1.00 0.00 H new ATOM 0 HG SER A 34 68.727 -6.907 5.577 1.00 0.00 H new ATOM 597 N LEU A 35 64.926 -9.866 5.547 1.00 0.00 N ATOM 598 CA LEU A 35 63.607 -9.661 6.220 1.00 0.00 C ATOM 599 C LEU A 35 63.738 -8.463 7.162 1.00 0.00 C ATOM 600 O LEU A 35 62.775 -7.783 7.471 1.00 0.00 O ATOM 601 CB LEU A 35 63.235 -10.908 7.023 1.00 0.00 C ATOM 602 CG LEU A 35 62.484 -11.871 6.111 1.00 0.00 C ATOM 603 CD1 LEU A 35 62.826 -13.314 6.490 1.00 0.00 C ATOM 604 CD2 LEU A 35 60.977 -11.648 6.260 1.00 0.00 C ATOM 0 H LEU A 35 65.367 -10.770 5.718 1.00 0.00 H new ATOM 0 HA LEU A 35 62.829 -9.479 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 35 64.132 -11.384 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 35 62.615 -10.636 7.878 1.00 0.00 H new ATOM 0 HG LEU A 35 62.778 -11.690 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.287 -13.999 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 35 63.898 -13.475 6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 35 62.536 -13.497 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.441 -12.337 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 35 60.683 -11.825 7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.732 -10.622 5.984 1.00 0.00 H new ATOM 616 N GLN A 36 64.947 -8.184 7.583 1.00 0.00 N ATOM 617 CA GLN A 36 65.181 -7.013 8.469 1.00 0.00 C ATOM 618 C GLN A 36 65.027 -5.761 7.611 1.00 0.00 C ATOM 619 O GLN A 36 64.463 -4.769 8.030 1.00 0.00 O ATOM 620 CB GLN A 36 66.596 -7.078 9.057 1.00 0.00 C ATOM 621 CG GLN A 36 66.524 -7.555 10.510 1.00 0.00 C ATOM 622 CD GLN A 36 67.891 -7.383 11.174 1.00 0.00 C ATOM 623 OE1 GLN A 36 68.454 -8.330 11.685 1.00 0.00 O ATOM 624 NE2 GLN A 36 68.451 -6.205 11.189 1.00 0.00 N ATOM 0 H GLN A 36 65.781 -8.721 7.348 1.00 0.00 H new ATOM 0 HA GLN A 36 64.472 -7.003 9.296 1.00 0.00 H new ATOM 0 HB2 GLN A 36 67.214 -7.757 8.470 1.00 0.00 H new ATOM 0 HB3 GLN A 36 67.067 -6.096 9.008 1.00 0.00 H new ATOM 0 HG2 GLN A 36 65.770 -6.986 11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 36 66.220 -8.601 10.545 1.00 0.00 H new ATOM 0 HE21 GLN A 36 67.978 -5.410 10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 36 69.362 -6.079 11.630 1.00 0.00 H new ATOM 633 N GLN A 37 65.514 -5.822 6.398 1.00 0.00 N ATOM 634 CA GLN A 37 65.389 -4.662 5.475 1.00 0.00 C ATOM 635 C GLN A 37 63.910 -4.431 5.162 1.00 0.00 C ATOM 636 O GLN A 37 63.500 -3.318 4.892 1.00 0.00 O ATOM 637 CB GLN A 37 66.145 -4.949 4.177 1.00 0.00 C ATOM 638 CG GLN A 37 66.174 -3.681 3.319 1.00 0.00 C ATOM 639 CD GLN A 37 66.891 -3.972 1.999 1.00 0.00 C ATOM 640 OE1 GLN A 37 66.248 -4.583 1.043 1.00 0.00 O flip ATOM 641 NE2 GLN A 37 68.048 -3.638 1.836 1.00 0.00 N flip ATOM 0 H GLN A 37 65.995 -6.632 6.008 1.00 0.00 H new ATOM 0 HA GLN A 37 65.812 -3.774 5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 37 67.161 -5.276 4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 37 65.661 -5.760 3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.158 -3.338 3.125 1.00 0.00 H new ATOM 0 HG3 GLN A 37 66.685 -2.880 3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 37 68.551 -3.160 2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.516 -3.836 0.952 1.00 0.00 H new ATOM 650 N ILE A 38 63.100 -5.469 5.212 1.00 0.00 N ATOM 651 CA ILE A 38 61.645 -5.287 4.937 1.00 0.00 C ATOM 652 C ILE A 38 61.025 -4.593 6.149 1.00 0.00 C ATOM 653 O ILE A 38 60.111 -3.808 6.019 1.00 0.00 O ATOM 654 CB ILE A 38 60.969 -6.651 4.652 1.00 0.00 C ATOM 655 CG1 ILE A 38 61.356 -7.113 3.236 1.00 0.00 C ATOM 656 CG2 ILE A 38 59.432 -6.531 4.729 1.00 0.00 C ATOM 657 CD1 ILE A 38 60.902 -6.074 2.196 1.00 0.00 C ATOM 0 H ILE A 38 63.387 -6.423 5.430 1.00 0.00 H new ATOM 0 HA ILE A 38 61.496 -4.673 4.049 1.00 0.00 H new ATOM 0 HB ILE A 38 61.305 -7.369 5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 38 62.435 -7.253 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 38 60.896 -8.078 3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 38 58.981 -7.502 4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 38 59.143 -6.198 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 38 59.086 -5.808 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 38 61.181 -6.412 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 38 59.820 -5.955 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 38 61.383 -5.118 2.403 1.00 0.00 H new ATOM 669 N THR A 39 61.542 -4.860 7.319 1.00 0.00 N ATOM 670 CA THR A 39 61.015 -4.190 8.544 1.00 0.00 C ATOM 671 C THR A 39 61.321 -2.694 8.423 1.00 0.00 C ATOM 672 O THR A 39 60.531 -1.847 8.797 1.00 0.00 O ATOM 673 CB THR A 39 61.707 -4.765 9.784 1.00 0.00 C ATOM 674 OG1 THR A 39 61.606 -6.183 9.766 1.00 0.00 O ATOM 675 CG2 THR A 39 61.035 -4.218 11.044 1.00 0.00 C ATOM 0 H THR A 39 62.308 -5.514 7.479 1.00 0.00 H new ATOM 0 HA THR A 39 59.942 -4.353 8.641 1.00 0.00 H new ATOM 0 HB THR A 39 62.758 -4.476 9.782 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.166 -6.542 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 39 61.528 -4.627 11.926 1.00 0.00 H new ATOM 0 HG22 THR A 39 61.114 -3.131 11.056 1.00 0.00 H new ATOM 0 HG23 THR A 39 59.984 -4.505 11.050 1.00 0.00 H new ATOM 683 N HIS A 40 62.463 -2.378 7.867 1.00 0.00 N ATOM 684 CA HIS A 40 62.851 -0.951 7.667 1.00 0.00 C ATOM 685 C HIS A 40 62.106 -0.392 6.453 1.00 0.00 C ATOM 686 O HIS A 40 61.939 0.804 6.323 1.00 0.00 O ATOM 687 CB HIS A 40 64.360 -0.856 7.436 1.00 0.00 C ATOM 688 CG HIS A 40 65.087 -1.560 8.551 1.00 0.00 C ATOM 689 ND1 HIS A 40 66.143 -2.425 8.315 1.00 0.00 N ATOM 690 CD2 HIS A 40 64.916 -1.540 9.914 1.00 0.00 C ATOM 691 CE1 HIS A 40 66.564 -2.887 9.507 1.00 0.00 C ATOM 692 NE2 HIS A 40 65.850 -2.379 10.515 1.00 0.00 N ATOM 0 H HIS A 40 63.150 -3.057 7.540 1.00 0.00 H new ATOM 0 HA HIS A 40 62.589 -0.373 8.553 1.00 0.00 H new ATOM 0 HB2 HIS A 40 64.620 -1.305 6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 40 64.666 0.189 7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 40 64.170 -0.961 10.439 1.00 0.00 H new ATOM 0 HE1 HIS A 40 67.380 -3.584 9.633 1.00 0.00 H new ATOM 0 HE2 HIS A 40 65.965 -2.566 11.511 1.00 0.00 H new ATOM 700 N ILE A 41 61.636 -1.250 5.578 1.00 0.00 N ATOM 701 CA ILE A 41 60.874 -0.772 4.397 1.00 0.00 C ATOM 702 C ILE A 41 59.528 -0.257 4.922 1.00 0.00 C ATOM 703 O ILE A 41 59.044 0.766 4.505 1.00 0.00 O ATOM 704 CB ILE A 41 60.717 -1.952 3.392 1.00 0.00 C ATOM 705 CG1 ILE A 41 61.636 -1.721 2.178 1.00 0.00 C ATOM 706 CG2 ILE A 41 59.274 -2.123 2.888 1.00 0.00 C ATOM 707 CD1 ILE A 41 62.866 -2.629 2.277 1.00 0.00 C ATOM 0 H ILE A 41 61.751 -2.262 5.638 1.00 0.00 H new ATOM 0 HA ILE A 41 61.378 0.034 3.863 1.00 0.00 H new ATOM 0 HB ILE A 41 60.991 -2.860 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 41 61.094 -1.928 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 41 61.946 -0.677 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 41 59.229 -2.960 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.614 -2.318 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 41 58.955 -1.212 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 41 63.512 -2.461 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 41 63.414 -2.401 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 41 62.548 -3.671 2.295 1.00 0.00 H new ATOM 719 N ALA A 42 58.942 -0.966 5.853 1.00 0.00 N ATOM 720 CA ALA A 42 57.636 -0.535 6.427 1.00 0.00 C ATOM 721 C ALA A 42 57.829 0.786 7.147 1.00 0.00 C ATOM 722 O ALA A 42 57.135 1.749 6.886 1.00 0.00 O ATOM 723 CB ALA A 42 57.126 -1.599 7.397 1.00 0.00 C ATOM 0 H ALA A 42 59.317 -1.831 6.242 1.00 0.00 H new ATOM 0 HA ALA A 42 56.901 -0.409 5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 42 56.171 -1.282 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 42 56.994 -2.542 6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 42 57.848 -1.733 8.202 1.00 0.00 H new ATOM 729 N ASN A 43 58.803 0.855 8.013 1.00 0.00 N ATOM 730 CA ASN A 43 59.092 2.139 8.708 1.00 0.00 C ATOM 731 C ASN A 43 59.508 3.179 7.648 1.00 0.00 C ATOM 732 O ASN A 43 59.464 4.371 7.880 1.00 0.00 O ATOM 733 CB ASN A 43 60.237 1.932 9.701 1.00 0.00 C ATOM 734 CG ASN A 43 60.140 2.966 10.824 1.00 0.00 C ATOM 735 OD1 ASN A 43 60.006 2.560 12.057 1.00 0.00 O flip ATOM 736 ND2 ASN A 43 60.189 4.156 10.577 1.00 0.00 N flip ATOM 0 H ASN A 43 59.411 0.077 8.269 1.00 0.00 H new ATOM 0 HA ASN A 43 58.211 2.485 9.248 1.00 0.00 H new ATOM 0 HB2 ASN A 43 60.193 0.925 10.116 1.00 0.00 H new ATOM 0 HB3 ASN A 43 61.195 2.025 9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 43 60.294 4.473 9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 43 60.125 4.837 11.334 1.00 0.00 H new ATOM 743 N GLN A 44 59.908 2.716 6.481 1.00 0.00 N ATOM 744 CA GLN A 44 60.327 3.631 5.391 1.00 0.00 C ATOM 745 C GLN A 44 59.093 4.326 4.788 1.00 0.00 C ATOM 746 O GLN A 44 59.165 5.476 4.396 1.00 0.00 O ATOM 747 CB GLN A 44 61.060 2.803 4.324 1.00 0.00 C ATOM 748 CG GLN A 44 62.559 3.131 4.306 1.00 0.00 C ATOM 749 CD GLN A 44 62.792 4.503 3.665 1.00 0.00 C ATOM 750 OE1 GLN A 44 61.869 5.135 3.185 1.00 0.00 O ATOM 751 NE2 GLN A 44 64.001 4.994 3.632 1.00 0.00 N ATOM 0 H GLN A 44 59.958 1.725 6.246 1.00 0.00 H new ATOM 0 HA GLN A 44 60.993 4.403 5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 44 60.919 1.741 4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 44 60.629 3.004 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 44 62.952 3.125 5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 44 63.100 2.365 3.750 1.00 0.00 H new ATOM 0 HE21 GLN A 44 64.777 4.467 4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 44 64.170 5.905 3.205 1.00 0.00 H new ATOM 760 N LEU A 45 57.962 3.651 4.715 1.00 0.00 N ATOM 761 CA LEU A 45 56.740 4.314 4.138 1.00 0.00 C ATOM 762 C LEU A 45 55.523 4.169 5.074 1.00 0.00 C ATOM 763 O LEU A 45 54.389 4.282 4.650 1.00 0.00 O ATOM 764 CB LEU A 45 56.438 3.757 2.731 1.00 0.00 C ATOM 765 CG LEU A 45 55.804 2.367 2.778 1.00 0.00 C ATOM 766 CD1 LEU A 45 55.209 2.041 1.408 1.00 0.00 C ATOM 767 CD2 LEU A 45 56.877 1.348 3.117 1.00 0.00 C ATOM 0 H LEU A 45 57.833 2.687 5.024 1.00 0.00 H new ATOM 0 HA LEU A 45 56.946 5.380 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 45 55.769 4.441 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 45 57.362 3.712 2.155 1.00 0.00 H new ATOM 0 HG LEU A 45 55.018 2.340 3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 45 54.755 1.050 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 45 54.450 2.781 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 45 55.997 2.059 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 45 56.435 0.352 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 45 57.655 1.372 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 45 57.312 1.587 4.087 1.00 0.00 H new ATOM 779 N GLY A 46 55.758 3.961 6.342 1.00 0.00 N ATOM 780 CA GLY A 46 54.641 3.849 7.340 1.00 0.00 C ATOM 781 C GLY A 46 53.481 2.956 6.856 1.00 0.00 C ATOM 782 O GLY A 46 52.346 3.167 7.242 1.00 0.00 O ATOM 0 H GLY A 46 56.692 3.862 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 46 55.035 3.447 8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 46 54.257 4.845 7.559 1.00 0.00 H new ATOM 786 N LEU A 47 53.743 1.958 6.046 1.00 0.00 N ATOM 787 CA LEU A 47 52.623 1.058 5.588 1.00 0.00 C ATOM 788 C LEU A 47 52.628 -0.230 6.424 1.00 0.00 C ATOM 789 O LEU A 47 53.482 -0.437 7.265 1.00 0.00 O ATOM 790 CB LEU A 47 52.737 0.725 4.065 1.00 0.00 C ATOM 791 CG LEU A 47 53.502 -0.590 3.795 1.00 0.00 C ATOM 792 CD1 LEU A 47 53.665 -0.808 2.287 1.00 0.00 C ATOM 793 CD2 LEU A 47 54.873 -0.542 4.450 1.00 0.00 C ATOM 0 H LEU A 47 54.668 1.725 5.684 1.00 0.00 H new ATOM 0 HA LEU A 47 51.679 1.583 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 47 51.737 0.652 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 47 53.242 1.545 3.555 1.00 0.00 H new ATOM 0 HG LEU A 47 52.930 -1.416 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 47 54.206 -1.738 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 47 52.682 -0.865 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 54.223 0.024 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 47 55.403 -1.474 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 47 55.442 0.293 4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 47 54.758 -0.410 5.526 1.00 0.00 H new ATOM 805 N GLU A 48 51.691 -1.102 6.165 1.00 0.00 N ATOM 806 CA GLU A 48 51.636 -2.392 6.896 1.00 0.00 C ATOM 807 C GLU A 48 52.455 -3.420 6.112 1.00 0.00 C ATOM 808 O GLU A 48 52.474 -3.416 4.898 1.00 0.00 O ATOM 809 CB GLU A 48 50.183 -2.861 7.009 1.00 0.00 C ATOM 810 CG GLU A 48 50.053 -3.873 8.154 1.00 0.00 C ATOM 811 CD GLU A 48 49.428 -3.197 9.377 1.00 0.00 C ATOM 812 OE1 GLU A 48 50.139 -2.478 10.061 1.00 0.00 O ATOM 813 OE2 GLU A 48 48.249 -3.410 9.609 1.00 0.00 O ATOM 0 H GLU A 48 50.956 -0.970 5.470 1.00 0.00 H new ATOM 0 HA GLU A 48 52.043 -2.275 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 48 49.529 -2.008 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 48 49.864 -3.316 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 48 49.437 -4.715 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 48 51.034 -4.274 8.410 1.00 0.00 H new ATOM 820 N LYS A 49 53.133 -4.296 6.797 1.00 0.00 N ATOM 821 CA LYS A 49 53.967 -5.327 6.104 1.00 0.00 C ATOM 822 C LYS A 49 53.119 -6.131 5.107 1.00 0.00 C ATOM 823 O LYS A 49 53.645 -6.746 4.198 1.00 0.00 O ATOM 824 CB LYS A 49 54.567 -6.272 7.145 1.00 0.00 C ATOM 825 CG LYS A 49 55.708 -5.562 7.883 1.00 0.00 C ATOM 826 CD LYS A 49 55.668 -5.925 9.372 1.00 0.00 C ATOM 827 CE LYS A 49 56.539 -4.950 10.173 1.00 0.00 C ATOM 828 NZ LYS A 49 57.515 -5.720 10.997 1.00 0.00 N ATOM 0 H LYS A 49 53.148 -4.346 7.816 1.00 0.00 H new ATOM 0 HA LYS A 49 54.763 -4.825 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 49 53.800 -6.584 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 49 54.939 -7.175 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 49 56.667 -5.852 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 49 55.617 -4.483 7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 49 54.641 -5.891 9.736 1.00 0.00 H new ATOM 0 HD3 LYS A 49 56.023 -6.945 9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 49 57.067 -4.278 9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 49 55.914 -4.330 10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 57.977 -5.081 11.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 57.016 -6.472 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 58.234 -6.145 10.377 1.00 0.00 H new ATOM 842 N ASP A 50 51.818 -6.138 5.270 1.00 0.00 N ATOM 843 CA ASP A 50 50.949 -6.907 4.332 1.00 0.00 C ATOM 844 C ASP A 50 50.853 -6.187 2.981 1.00 0.00 C ATOM 845 O ASP A 50 50.868 -6.822 1.937 1.00 0.00 O ATOM 846 CB ASP A 50 49.551 -7.054 4.935 1.00 0.00 C ATOM 847 CG ASP A 50 48.718 -7.995 4.062 1.00 0.00 C ATOM 848 OD1 ASP A 50 49.273 -8.968 3.578 1.00 0.00 O ATOM 849 OD2 ASP A 50 47.540 -7.726 3.891 1.00 0.00 O ATOM 0 H ASP A 50 51.323 -5.644 6.012 1.00 0.00 H new ATOM 0 HA ASP A 50 51.386 -7.893 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 50 49.620 -7.447 5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 50 49.068 -6.079 5.003 1.00 0.00 H new ATOM 854 N VAL A 51 50.765 -4.874 2.979 1.00 0.00 N ATOM 855 CA VAL A 51 50.675 -4.148 1.677 1.00 0.00 C ATOM 856 C VAL A 51 52.077 -4.035 1.065 1.00 0.00 C ATOM 857 O VAL A 51 52.225 -3.849 -0.129 1.00 0.00 O ATOM 858 CB VAL A 51 50.063 -2.753 1.891 1.00 0.00 C ATOM 859 CG1 VAL A 51 50.955 -1.917 2.816 1.00 0.00 C ATOM 860 CG2 VAL A 51 49.917 -2.051 0.535 1.00 0.00 C ATOM 0 H VAL A 51 50.752 -4.285 3.812 1.00 0.00 H new ATOM 0 HA VAL A 51 50.031 -4.701 0.993 1.00 0.00 H new ATOM 0 HB VAL A 51 49.083 -2.860 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 51 50.510 -0.932 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 51 51.048 -2.416 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 51 51.942 -1.807 2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 51 49.484 -1.062 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 51 50.897 -1.952 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 51 49.266 -2.640 -0.111 1.00 0.00 H new ATOM 870 N VAL A 52 53.106 -4.154 1.873 1.00 0.00 N ATOM 871 CA VAL A 52 54.489 -4.062 1.339 1.00 0.00 C ATOM 872 C VAL A 52 54.878 -5.415 0.714 1.00 0.00 C ATOM 873 O VAL A 52 55.680 -5.477 -0.198 1.00 0.00 O ATOM 874 CB VAL A 52 55.448 -3.640 2.485 1.00 0.00 C ATOM 875 CG1 VAL A 52 56.107 -4.846 3.176 1.00 0.00 C ATOM 876 CG2 VAL A 52 56.526 -2.721 1.907 1.00 0.00 C ATOM 0 H VAL A 52 53.040 -4.311 2.879 1.00 0.00 H new ATOM 0 HA VAL A 52 54.558 -3.306 0.557 1.00 0.00 H new ATOM 0 HB VAL A 52 54.861 -3.122 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 52 56.767 -4.495 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 52 55.336 -5.487 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 52 56.686 -5.412 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 52 57.208 -2.416 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 52 57.082 -3.253 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 52 56.057 -1.838 1.472 1.00 0.00 H new ATOM 886 N ARG A 53 54.310 -6.492 1.204 1.00 0.00 N ATOM 887 CA ARG A 53 54.636 -7.835 0.644 1.00 0.00 C ATOM 888 C ARG A 53 53.919 -8.005 -0.696 1.00 0.00 C ATOM 889 O ARG A 53 54.498 -8.460 -1.664 1.00 0.00 O ATOM 890 CB ARG A 53 54.176 -8.929 1.614 1.00 0.00 C ATOM 891 CG ARG A 53 55.106 -10.147 1.501 1.00 0.00 C ATOM 892 CD ARG A 53 54.275 -11.428 1.381 1.00 0.00 C ATOM 893 NE ARG A 53 53.569 -11.687 2.667 1.00 0.00 N ATOM 894 CZ ARG A 53 53.794 -12.792 3.324 1.00 0.00 C ATOM 895 NH1 ARG A 53 54.845 -12.894 4.092 1.00 0.00 N ATOM 896 NH2 ARG A 53 52.968 -13.795 3.214 1.00 0.00 N ATOM 0 H ARG A 53 53.635 -6.495 1.968 1.00 0.00 H new ATOM 0 HA ARG A 53 55.713 -7.918 0.500 1.00 0.00 H new ATOM 0 HB2 ARG A 53 54.182 -8.549 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 53 53.150 -9.221 1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 53 55.754 -10.041 0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 53 55.753 -10.204 2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 53 53.552 -11.330 0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 53 54.920 -12.270 1.133 1.00 0.00 H new ATOM 0 HE ARG A 53 52.910 -11.001 3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 53 55.491 -12.110 4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 53 55.020 -13.758 4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 53 52.146 -13.716 2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 53 53.143 -14.659 3.727 1.00 0.00 H new ATOM 910 N VAL A 54 52.662 -7.637 -0.758 1.00 0.00 N ATOM 911 CA VAL A 54 51.903 -7.770 -2.039 1.00 0.00 C ATOM 912 C VAL A 54 52.487 -6.805 -3.074 1.00 0.00 C ATOM 913 O VAL A 54 52.545 -7.107 -4.252 1.00 0.00 O ATOM 914 CB VAL A 54 50.428 -7.437 -1.797 1.00 0.00 C ATOM 915 CG1 VAL A 54 49.631 -7.655 -3.087 1.00 0.00 C ATOM 916 CG2 VAL A 54 49.874 -8.349 -0.699 1.00 0.00 C ATOM 0 H VAL A 54 52.130 -7.251 0.022 1.00 0.00 H new ATOM 0 HA VAL A 54 51.984 -8.792 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 54 50.340 -6.395 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 54 48.582 -7.417 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 54 50.023 -7.007 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 54 49.720 -8.696 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 54 48.824 -8.113 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 54 49.966 -9.390 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 54 50.437 -8.194 0.221 1.00 0.00 H new ATOM 926 N TRP A 55 52.921 -5.649 -2.641 1.00 0.00 N ATOM 927 CA TRP A 55 53.508 -4.660 -3.590 1.00 0.00 C ATOM 928 C TRP A 55 54.854 -5.196 -4.092 1.00 0.00 C ATOM 929 O TRP A 55 55.197 -5.019 -5.247 1.00 0.00 O ATOM 930 CB TRP A 55 53.669 -3.307 -2.864 1.00 0.00 C ATOM 931 CG TRP A 55 54.482 -2.349 -3.684 1.00 0.00 C ATOM 932 CD1 TRP A 55 53.988 -1.387 -4.504 1.00 0.00 C ATOM 933 CD2 TRP A 55 55.932 -2.259 -3.779 1.00 0.00 C ATOM 934 NE1 TRP A 55 55.041 -0.708 -5.070 1.00 0.00 N ATOM 935 CE2 TRP A 55 56.263 -1.217 -4.668 1.00 0.00 C ATOM 936 CE3 TRP A 55 56.982 -2.977 -3.181 1.00 0.00 C ATOM 937 CZ2 TRP A 55 57.592 -0.903 -4.958 1.00 0.00 C ATOM 938 CZ3 TRP A 55 58.316 -2.664 -3.466 1.00 0.00 C ATOM 939 CH2 TRP A 55 58.621 -1.634 -4.355 1.00 0.00 C ATOM 0 H TRP A 55 52.893 -5.348 -1.667 1.00 0.00 H new ATOM 0 HA TRP A 55 52.857 -4.509 -4.451 1.00 0.00 H new ATOM 0 HB2 TRP A 55 52.687 -2.878 -2.665 1.00 0.00 H new ATOM 0 HB3 TRP A 55 54.150 -3.464 -1.898 1.00 0.00 H new ATOM 0 HD1 TRP A 55 52.942 -1.188 -4.682 1.00 0.00 H new ATOM 0 HE1 TRP A 55 54.934 0.078 -5.711 1.00 0.00 H new ATOM 0 HE3 TRP A 55 56.757 -3.779 -2.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 57.824 -0.101 -5.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 59.112 -3.222 -2.996 1.00 0.00 H new ATOM 0 HH2 TRP A 55 59.652 -1.401 -4.578 1.00 0.00 H new ATOM 950 N PHE A 56 55.607 -5.864 -3.251 1.00 0.00 N ATOM 951 CA PHE A 56 56.910 -6.418 -3.720 1.00 0.00 C ATOM 952 C PHE A 56 56.690 -7.784 -4.379 1.00 0.00 C ATOM 953 O PHE A 56 57.592 -8.325 -4.988 1.00 0.00 O ATOM 954 CB PHE A 56 57.903 -6.558 -2.563 1.00 0.00 C ATOM 955 CG PHE A 56 59.312 -6.612 -3.128 1.00 0.00 C ATOM 956 CD1 PHE A 56 59.750 -5.623 -4.022 1.00 0.00 C ATOM 957 CD2 PHE A 56 60.177 -7.654 -2.769 1.00 0.00 C ATOM 958 CE1 PHE A 56 61.041 -5.673 -4.549 1.00 0.00 C ATOM 959 CE2 PHE A 56 61.473 -7.702 -3.301 1.00 0.00 C ATOM 960 CZ PHE A 56 61.902 -6.710 -4.192 1.00 0.00 C ATOM 0 H PHE A 56 55.378 -6.046 -2.274 1.00 0.00 H new ATOM 0 HA PHE A 56 57.329 -5.723 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 56 57.804 -5.717 -1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 56 57.691 -7.462 -1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 56 59.085 -4.820 -4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 56 59.846 -8.420 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 56 61.374 -4.907 -5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 56 62.141 -8.504 -3.024 1.00 0.00 H new ATOM 0 HZ PHE A 56 62.900 -6.748 -4.603 1.00 0.00 H new ATOM 970 N CYS A 57 55.498 -8.338 -4.290 1.00 0.00 N ATOM 971 CA CYS A 57 55.236 -9.649 -4.947 1.00 0.00 C ATOM 972 C CYS A 57 55.291 -9.421 -6.454 1.00 0.00 C ATOM 973 O CYS A 57 55.958 -10.134 -7.180 1.00 0.00 O ATOM 974 CB CYS A 57 53.850 -10.164 -4.553 1.00 0.00 C ATOM 975 SG CYS A 57 53.632 -11.846 -5.184 1.00 0.00 S ATOM 0 H CYS A 57 54.704 -7.935 -3.792 1.00 0.00 H new ATOM 0 HA CYS A 57 55.976 -10.388 -4.638 1.00 0.00 H new ATOM 0 HB2 CYS A 57 53.741 -10.154 -3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 57 53.078 -9.509 -4.957 1.00 0.00 H new ATOM 0 HG CYS A 57 52.456 -12.286 -4.849 1.00 0.00 H new ATOM 981 N ASN A 58 54.616 -8.400 -6.917 1.00 0.00 N ATOM 982 CA ASN A 58 54.644 -8.078 -8.368 1.00 0.00 C ATOM 983 C ASN A 58 56.053 -7.594 -8.710 1.00 0.00 C ATOM 984 O ASN A 58 56.618 -7.958 -9.724 1.00 0.00 O ATOM 985 CB ASN A 58 53.627 -6.974 -8.672 1.00 0.00 C ATOM 986 CG ASN A 58 53.404 -6.879 -10.182 1.00 0.00 C ATOM 987 OD1 ASN A 58 53.338 -7.883 -10.863 1.00 0.00 O ATOM 988 ND2 ASN A 58 53.284 -5.706 -10.739 1.00 0.00 N ATOM 0 H ASN A 58 54.046 -7.775 -6.347 1.00 0.00 H new ATOM 0 HA ASN A 58 54.388 -8.956 -8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 58 52.684 -7.186 -8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 58 53.986 -6.020 -8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 58 53.135 -5.632 -11.745 1.00 0.00 H new ATOM 0 HD22 ASN A 58 53.339 -4.862 -10.168 1.00 0.00 H new ATOM 995 N ARG A 59 56.631 -6.788 -7.850 1.00 0.00 N ATOM 996 CA ARG A 59 58.020 -6.288 -8.100 1.00 0.00 C ATOM 997 C ARG A 59 59.002 -7.469 -8.104 1.00 0.00 C ATOM 998 O ARG A 59 60.105 -7.361 -8.606 1.00 0.00 O ATOM 999 CB ARG A 59 58.410 -5.284 -6.995 1.00 0.00 C ATOM 1000 CG ARG A 59 58.750 -3.915 -7.600 1.00 0.00 C ATOM 1001 CD ARG A 59 57.591 -3.406 -8.467 1.00 0.00 C ATOM 1002 NE ARG A 59 57.908 -3.626 -9.907 1.00 0.00 N ATOM 1003 CZ ARG A 59 56.955 -3.581 -10.799 1.00 0.00 C ATOM 1004 NH1 ARG A 59 56.285 -4.662 -11.094 1.00 0.00 N ATOM 1005 NH2 ARG A 59 56.670 -2.454 -11.392 1.00 0.00 N ATOM 0 H ARG A 59 56.201 -6.456 -6.987 1.00 0.00 H new ATOM 0 HA ARG A 59 58.059 -5.790 -9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 59 57.589 -5.180 -6.286 1.00 0.00 H new ATOM 0 HB3 ARG A 59 59.266 -5.664 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 59 58.957 -3.200 -6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 59 59.655 -3.992 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 59 56.671 -3.927 -8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 59 57.422 -2.346 -8.280 1.00 0.00 H new ATOM 0 HE ARG A 59 58.869 -3.812 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 59 56.506 -5.542 -10.628 1.00 0.00 H new ATOM 0 HH12 ARG A 59 55.541 -4.627 -11.791 1.00 0.00 H new ATOM 0 HH21 ARG A 59 57.191 -1.609 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 59 55.926 -2.418 -12.089 1.00 0.00 H new ATOM 1019 N ARG A 60 58.609 -8.596 -7.558 1.00 0.00 N ATOM 1020 CA ARG A 60 59.512 -9.781 -7.541 1.00 0.00 C ATOM 1021 C ARG A 60 59.418 -10.488 -8.891 1.00 0.00 C ATOM 1022 O ARG A 60 60.410 -10.907 -9.457 1.00 0.00 O ATOM 1023 CB ARG A 60 59.073 -10.741 -6.433 1.00 0.00 C ATOM 1024 CG ARG A 60 59.858 -10.445 -5.154 1.00 0.00 C ATOM 1025 CD ARG A 60 59.196 -11.159 -3.974 1.00 0.00 C ATOM 1026 NE ARG A 60 59.686 -12.565 -3.908 1.00 0.00 N ATOM 1027 CZ ARG A 60 59.271 -13.356 -2.956 1.00 0.00 C ATOM 1028 NH1 ARG A 60 59.635 -13.137 -1.722 1.00 0.00 N ATOM 1029 NH2 ARG A 60 58.493 -14.365 -3.238 1.00 0.00 N ATOM 0 H ARG A 60 57.698 -8.742 -7.123 1.00 0.00 H new ATOM 0 HA ARG A 60 60.538 -9.464 -7.356 1.00 0.00 H new ATOM 0 HB2 ARG A 60 58.004 -10.634 -6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 60 59.241 -11.772 -6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 60 60.890 -10.779 -5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 60 59.888 -9.371 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 60 59.426 -10.638 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 60 58.112 -11.145 -4.088 1.00 0.00 H new ATOM 0 HE ARG A 60 60.345 -12.909 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 60 60.243 -12.348 -1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 60 59.311 -13.755 -0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 60 58.209 -14.536 -4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 60 58.169 -14.983 -2.494 1.00 0.00 H new ATOM 1043 N GLN A 61 58.224 -10.614 -9.409 1.00 0.00 N ATOM 1044 CA GLN A 61 58.038 -11.285 -10.726 1.00 0.00 C ATOM 1045 C GLN A 61 57.733 -10.230 -11.789 1.00 0.00 C ATOM 1046 O GLN A 61 56.686 -10.235 -12.410 1.00 0.00 O ATOM 1047 CB GLN A 61 56.885 -12.287 -10.630 1.00 0.00 C ATOM 1048 CG GLN A 61 57.248 -13.387 -9.631 1.00 0.00 C ATOM 1049 CD GLN A 61 56.358 -14.608 -9.869 1.00 0.00 C ATOM 1050 OE1 GLN A 61 56.350 -15.168 -10.947 1.00 0.00 O ATOM 1051 NE2 GLN A 61 55.602 -15.048 -8.900 1.00 0.00 N ATOM 0 H GLN A 61 57.366 -10.278 -8.972 1.00 0.00 H new ATOM 0 HA GLN A 61 58.947 -11.819 -11.002 1.00 0.00 H new ATOM 0 HB2 GLN A 61 55.974 -11.780 -10.314 1.00 0.00 H new ATOM 0 HB3 GLN A 61 56.684 -12.722 -11.609 1.00 0.00 H new ATOM 0 HG2 GLN A 61 58.297 -13.662 -9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 61 57.120 -13.024 -8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 61 55.608 -14.578 -7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 61 55.005 -15.862 -9.048 1.00 0.00 H new