USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 789 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 41 SER OG : rot -76:sc= 0.545 USER MOD Set 1.2: A 102 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 80 ASN : amide:sc= -1.4 K(o=-1.5,f=-2.4!) USER MOD Set 2.2: A 96 MET CE :methyl -165:sc= -0.0914 (180deg=-0.141) USER MOD Single : A 19 GLN : amide:sc= -0.0455 K(o=-0.046,f=-1.5!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.3!) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.093) USER MOD Single : A 53 TYR OH : rot 21:sc= 0.317 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -109:sc= 0 (180deg=-1.14) USER MOD Single : A 60 MET CE :methyl -118:sc= -3.14 (180deg=-8.76!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -3.22! C(o=-3.2!,f=-4.4!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0775 USER MOD Single : A 67 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.3) USER MOD Single : A 68 SER OG : rot 180:sc= -0.23 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.5!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= -0.417 (180deg=-2.08!) USER MOD Single : A 85 LYS NZ :NH3+ -169:sc=-0.00286 (180deg=-0.15) USER MOD Single : A 88 ASN : amide:sc= -0.0751 K(o=-0.075,f=-1.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0779 K(o=-0.078,f=-0.71) USER MOD Single : A 116 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.6) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 8.122 14.404 1.292 1.00 0.00 N ATOM 221 CA GLN A 19 8.880 13.236 1.727 1.00 0.00 C ATOM 222 C GLN A 19 8.136 11.948 1.389 1.00 0.00 C ATOM 223 O GLN A 19 8.738 10.970 0.944 1.00 0.00 O ATOM 224 CB GLN A 19 9.146 13.306 3.231 1.00 0.00 C ATOM 225 CG GLN A 19 10.152 14.376 3.622 1.00 0.00 C ATOM 226 CD GLN A 19 11.583 13.961 3.346 1.00 0.00 C ATOM 227 OE1 GLN A 19 11.888 12.773 3.242 1.00 0.00 O ATOM 228 NE2 GLN A 19 12.471 14.941 3.225 1.00 0.00 N ATOM 0 HA GLN A 19 9.832 13.234 1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.206 13.496 3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.508 12.336 3.573 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.932 15.293 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.042 14.603 4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.174 15.912 3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.450 14.722 3.038 1.00 0.00 H new ATOM 237 N LEU A 20 6.825 11.954 1.603 1.00 0.00 N ATOM 238 CA LEU A 20 5.998 10.786 1.322 1.00 0.00 C ATOM 239 C LEU A 20 5.806 10.604 -0.181 1.00 0.00 C ATOM 240 O LEU A 20 5.894 9.490 -0.698 1.00 0.00 O ATOM 241 CB LEU A 20 4.638 10.922 2.009 1.00 0.00 C ATOM 242 CG LEU A 20 3.543 9.973 1.521 1.00 0.00 C ATOM 243 CD1 LEU A 20 3.653 8.626 2.219 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.168 10.583 1.751 1.00 0.00 C ATOM 0 H LEU A 20 6.312 12.755 1.970 1.00 0.00 H new ATOM 0 HA LEU A 20 6.509 9.907 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.776 10.766 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.288 11.946 1.879 1.00 0.00 H new ATOM 0 HG LEU A 20 3.676 9.816 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.865 7.964 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.626 8.183 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.547 8.764 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.401 9.894 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.026 10.769 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.091 11.523 1.205 1.00 0.00 H new ATOM 256 N TYR A 21 5.546 11.706 -0.876 1.00 0.00 N ATOM 257 CA TYR A 21 5.341 11.668 -2.319 1.00 0.00 C ATOM 258 C TYR A 21 6.592 11.168 -3.034 1.00 0.00 C ATOM 259 O TYR A 21 6.536 10.223 -3.822 1.00 0.00 O ATOM 260 CB TYR A 21 4.963 13.056 -2.838 1.00 0.00 C ATOM 261 CG TYR A 21 3.553 13.471 -2.487 1.00 0.00 C ATOM 262 CD1 TYR A 21 2.486 12.599 -2.665 1.00 0.00 C ATOM 263 CD2 TYR A 21 3.287 14.736 -1.975 1.00 0.00 C ATOM 264 CE1 TYR A 21 1.195 12.975 -2.346 1.00 0.00 C ATOM 265 CE2 TYR A 21 1.999 15.119 -1.652 1.00 0.00 C ATOM 266 CZ TYR A 21 0.957 14.236 -1.839 1.00 0.00 C ATOM 267 OH TYR A 21 -0.327 14.613 -1.519 1.00 0.00 O ATOM 0 H TYR A 21 5.472 12.636 -0.464 1.00 0.00 H new ATOM 0 HA TYR A 21 4.525 10.975 -2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.660 13.789 -2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.079 13.073 -3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.669 11.610 -3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.100 15.431 -1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.377 12.286 -2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.810 16.105 -1.255 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.322 15.530 -1.174 1.00 0.00 H new ATOM 277 N LEU A 22 7.722 11.809 -2.753 1.00 0.00 N ATOM 278 CA LEU A 22 8.989 11.431 -3.368 1.00 0.00 C ATOM 279 C LEU A 22 9.206 9.923 -3.285 1.00 0.00 C ATOM 280 O LEU A 22 9.476 9.269 -4.292 1.00 0.00 O ATOM 281 CB LEU A 22 10.147 12.162 -2.687 1.00 0.00 C ATOM 282 CG LEU A 22 10.136 13.687 -2.798 1.00 0.00 C ATOM 283 CD1 LEU A 22 11.147 14.300 -1.840 1.00 0.00 C ATOM 284 CD2 LEU A 22 10.423 14.120 -4.228 1.00 0.00 C ATOM 0 H LEU A 22 7.786 12.593 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 22 8.954 11.718 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.148 11.895 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.082 11.794 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 22 9.144 14.045 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.125 15.386 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.896 14.018 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.145 13.935 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.411 15.208 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.403 13.751 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.661 13.712 -4.892 1.00 0.00 H new ATOM 296 N TRP A 23 9.084 9.379 -2.080 1.00 0.00 N ATOM 297 CA TRP A 23 9.265 7.947 -1.866 1.00 0.00 C ATOM 298 C TRP A 23 8.570 7.142 -2.958 1.00 0.00 C ATOM 299 O TRP A 23 9.198 6.333 -3.641 1.00 0.00 O ATOM 300 CB TRP A 23 8.723 7.543 -0.494 1.00 0.00 C ATOM 301 CG TRP A 23 8.343 6.096 -0.408 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.144 5.021 -0.673 1.00 0.00 C ATOM 303 CD2 TRP A 23 7.067 5.565 -0.034 1.00 0.00 C ATOM 304 NE1 TRP A 23 8.443 3.855 -0.485 1.00 0.00 N ATOM 305 CE2 TRP A 23 7.167 4.161 -0.092 1.00 0.00 C ATOM 306 CE3 TRP A 23 5.852 6.139 0.347 1.00 0.00 C ATOM 307 CZ2 TRP A 23 6.096 3.326 0.214 1.00 0.00 C ATOM 308 CZ3 TRP A 23 4.789 5.309 0.651 1.00 0.00 C ATOM 309 CH2 TRP A 23 4.917 3.915 0.584 1.00 0.00 C ATOM 0 H TRP A 23 8.861 9.907 -1.236 1.00 0.00 H new ATOM 0 HA TRP A 23 10.333 7.731 -1.905 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.476 7.759 0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.851 8.155 -0.261 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.176 5.080 -0.984 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.813 2.914 -0.617 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.745 7.212 0.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.192 2.252 0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 3.844 5.742 0.945 1.00 0.00 H new ATOM 0 HH2 TRP A 23 4.069 3.293 0.829 1.00 0.00 H new ATOM 320 N VAL A 24 7.270 7.369 -3.119 1.00 0.00 N ATOM 321 CA VAL A 24 6.490 6.665 -4.129 1.00 0.00 C ATOM 322 C VAL A 24 7.160 6.747 -5.496 1.00 0.00 C ATOM 323 O VAL A 24 7.522 5.728 -6.084 1.00 0.00 O ATOM 324 CB VAL A 24 5.062 7.234 -4.234 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.276 6.508 -5.315 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.352 7.141 -2.892 1.00 0.00 C ATOM 0 H VAL A 24 6.735 8.035 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 24 6.435 5.622 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 24 5.128 8.286 -4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.270 6.923 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.777 6.632 -6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.217 5.447 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.345 7.547 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.295 6.098 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.906 7.711 -2.147 1.00 0.00 H new ATOM 336 N ASP A 25 7.321 7.967 -5.997 1.00 0.00 N ATOM 337 CA ASP A 25 7.950 8.183 -7.295 1.00 0.00 C ATOM 338 C ASP A 25 9.218 7.347 -7.431 1.00 0.00 C ATOM 339 O ASP A 25 9.395 6.624 -8.411 1.00 0.00 O ATOM 340 CB ASP A 25 8.278 9.665 -7.486 1.00 0.00 C ATOM 341 CG ASP A 25 9.291 9.896 -8.590 1.00 0.00 C ATOM 342 OD1 ASP A 25 9.155 9.268 -9.661 1.00 0.00 O ATOM 343 OD2 ASP A 25 10.221 10.703 -8.382 1.00 0.00 O ATOM 0 H ASP A 25 7.025 8.821 -5.524 1.00 0.00 H new ATOM 0 HA ASP A 25 7.247 7.872 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.363 10.210 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.664 10.072 -6.552 1.00 0.00 H new ATOM 348 N ASN A 26 10.099 7.452 -6.441 1.00 0.00 N ATOM 349 CA ASN A 26 11.353 6.707 -6.451 1.00 0.00 C ATOM 350 C ASN A 26 11.118 5.253 -6.849 1.00 0.00 C ATOM 351 O ASN A 26 11.990 4.611 -7.436 1.00 0.00 O ATOM 352 CB ASN A 26 12.018 6.769 -5.075 1.00 0.00 C ATOM 353 CG ASN A 26 13.130 5.749 -4.924 1.00 0.00 C ATOM 354 OD1 ASN A 26 13.710 5.296 -5.910 1.00 0.00 O ATOM 355 ND2 ASN A 26 13.432 5.383 -3.684 1.00 0.00 N ATOM 0 H ASN A 26 9.968 8.046 -5.622 1.00 0.00 H new ATOM 0 HA ASN A 26 12.013 7.165 -7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.421 7.769 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.267 6.600 -4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 26 14.171 4.700 -3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.925 5.785 -2.896 1.00 0.00 H new ATOM 362 N ILE A 27 9.935 4.741 -6.527 1.00 0.00 N ATOM 363 CA ILE A 27 9.585 3.363 -6.852 1.00 0.00 C ATOM 364 C ILE A 27 9.446 3.173 -8.359 1.00 0.00 C ATOM 365 O ILE A 27 8.862 3.998 -9.063 1.00 0.00 O ATOM 366 CB ILE A 27 8.271 2.940 -6.169 1.00 0.00 C ATOM 367 CG1 ILE A 27 8.294 3.324 -4.688 1.00 0.00 C ATOM 368 CG2 ILE A 27 8.049 1.444 -6.330 1.00 0.00 C ATOM 369 CD1 ILE A 27 6.978 3.086 -3.981 1.00 0.00 C ATOM 0 H ILE A 27 9.203 5.259 -6.042 1.00 0.00 H new ATOM 0 HA ILE A 27 10.395 2.735 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 27 7.444 3.464 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.075 2.754 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.560 4.377 -4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.117 1.160 -5.842 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.994 1.196 -7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.877 0.902 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.068 3.381 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.196 3.677 -4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.720 2.029 -4.039 1.00 0.00 H new ATOM 577 N ASP A 39 -5.632 6.815 -8.028 1.00 0.00 N ATOM 578 CA ASP A 39 -4.831 5.597 -8.058 1.00 0.00 C ATOM 579 C ASP A 39 -4.651 5.029 -6.654 1.00 0.00 C ATOM 580 O ASP A 39 -4.741 3.819 -6.446 1.00 0.00 O ATOM 581 CB ASP A 39 -3.466 5.874 -8.689 1.00 0.00 C ATOM 582 CG ASP A 39 -3.553 6.091 -10.187 1.00 0.00 C ATOM 583 OD1 ASP A 39 -4.653 5.910 -10.750 1.00 0.00 O ATOM 584 OD2 ASP A 39 -2.521 6.442 -10.796 1.00 0.00 O ATOM 0 HA ASP A 39 -5.359 4.860 -8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.026 6.755 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.798 5.037 -8.484 1.00 0.00 H new ATOM 589 N PHE A 40 -4.396 5.911 -5.693 1.00 0.00 N ATOM 590 CA PHE A 40 -4.201 5.497 -4.308 1.00 0.00 C ATOM 591 C PHE A 40 -5.541 5.253 -3.620 1.00 0.00 C ATOM 592 O PHE A 40 -5.715 4.261 -2.912 1.00 0.00 O ATOM 593 CB PHE A 40 -3.409 6.560 -3.543 1.00 0.00 C ATOM 594 CG PHE A 40 -1.920 6.413 -3.683 1.00 0.00 C ATOM 595 CD1 PHE A 40 -1.322 6.448 -4.932 1.00 0.00 C ATOM 596 CD2 PHE A 40 -1.120 6.241 -2.565 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.047 6.312 -5.063 1.00 0.00 C ATOM 598 CE2 PHE A 40 0.250 6.106 -2.690 1.00 0.00 C ATOM 599 CZ PHE A 40 0.834 6.142 -3.941 1.00 0.00 C ATOM 0 H PHE A 40 -4.320 6.916 -5.848 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.637 4.564 -4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.704 7.547 -3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.674 6.509 -2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.932 6.583 -5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.572 6.212 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.501 6.339 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.863 5.973 -1.811 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.904 6.037 -4.042 1.00 0.00 H new ATOM 609 N SER A 41 -6.484 6.164 -3.833 1.00 0.00 N ATOM 610 CA SER A 41 -7.807 6.051 -3.231 1.00 0.00 C ATOM 611 C SER A 41 -8.419 4.683 -3.518 1.00 0.00 C ATOM 612 O SER A 41 -9.118 4.115 -2.678 1.00 0.00 O ATOM 613 CB SER A 41 -8.727 7.155 -3.757 1.00 0.00 C ATOM 614 OG SER A 41 -8.653 8.311 -2.942 1.00 0.00 O ATOM 0 H SER A 41 -6.357 6.989 -4.418 1.00 0.00 H new ATOM 0 HA SER A 41 -7.699 6.162 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.448 7.409 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.755 6.793 -3.787 1.00 0.00 H new ATOM 0 HG SER A 41 -9.156 8.161 -2.115 1.00 0.00 H new ATOM 620 N ASP A 42 -8.153 4.161 -4.710 1.00 0.00 N ATOM 621 CA ASP A 42 -8.676 2.860 -5.110 1.00 0.00 C ATOM 622 C ASP A 42 -8.039 1.743 -4.288 1.00 0.00 C ATOM 623 O ASP A 42 -8.704 0.779 -3.912 1.00 0.00 O ATOM 624 CB ASP A 42 -8.425 2.621 -6.599 1.00 0.00 C ATOM 625 CG ASP A 42 -8.837 1.230 -7.040 1.00 0.00 C ATOM 626 OD1 ASP A 42 -8.451 0.255 -6.363 1.00 0.00 O ATOM 627 OD2 ASP A 42 -9.545 1.117 -8.063 1.00 0.00 O ATOM 0 H ASP A 42 -7.578 4.619 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.750 2.855 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.975 3.361 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.367 2.769 -6.814 1.00 0.00 H new ATOM 632 N GLY A 43 -6.745 1.880 -4.015 1.00 0.00 N ATOM 633 CA GLY A 43 -6.039 0.875 -3.242 1.00 0.00 C ATOM 634 C GLY A 43 -5.219 -0.056 -4.112 1.00 0.00 C ATOM 635 O GLY A 43 -4.086 -0.397 -3.774 1.00 0.00 O ATOM 0 H GLY A 43 -6.173 2.669 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.383 1.368 -2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.758 0.291 -2.668 1.00 0.00 H new ATOM 639 N VAL A 44 -5.793 -0.471 -5.237 1.00 0.00 N ATOM 640 CA VAL A 44 -5.108 -1.370 -6.159 1.00 0.00 C ATOM 641 C VAL A 44 -3.664 -0.934 -6.380 1.00 0.00 C ATOM 642 O VAL A 44 -2.765 -1.766 -6.503 1.00 0.00 O ATOM 643 CB VAL A 44 -5.828 -1.433 -7.519 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.071 -2.335 -8.482 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.261 -1.913 -7.342 1.00 0.00 C ATOM 0 H VAL A 44 -6.731 -0.199 -5.532 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.120 -2.360 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.855 -0.429 -7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.594 -2.368 -9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.065 -1.944 -8.632 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.011 -3.341 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.754 -1.951 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.259 -2.908 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.797 -1.224 -6.689 1.00 0.00 H new ATOM 655 N LEU A 45 -3.449 0.376 -6.429 1.00 0.00 N ATOM 656 CA LEU A 45 -2.113 0.924 -6.634 1.00 0.00 C ATOM 657 C LEU A 45 -1.247 0.729 -5.394 1.00 0.00 C ATOM 658 O LEU A 45 -0.093 0.311 -5.488 1.00 0.00 O ATOM 659 CB LEU A 45 -2.198 2.411 -6.982 1.00 0.00 C ATOM 660 CG LEU A 45 -1.034 2.979 -7.795 1.00 0.00 C ATOM 661 CD1 LEU A 45 0.289 2.706 -7.096 1.00 0.00 C ATOM 662 CD2 LEU A 45 -1.028 2.391 -9.199 1.00 0.00 C ATOM 0 H LEU A 45 -4.182 1.078 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.652 0.389 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.120 2.581 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.276 2.977 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.164 4.058 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.106 3.117 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.284 3.174 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.427 1.630 -6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.193 2.806 -9.764 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.923 1.308 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.964 2.638 -9.701 1.00 0.00 H new ATOM 674 N VAL A 46 -1.813 1.033 -4.230 1.00 0.00 N ATOM 675 CA VAL A 46 -1.094 0.888 -2.969 1.00 0.00 C ATOM 676 C VAL A 46 -0.357 -0.446 -2.907 1.00 0.00 C ATOM 677 O VAL A 46 0.784 -0.515 -2.451 1.00 0.00 O ATOM 678 CB VAL A 46 -2.048 0.991 -1.764 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.299 0.731 -0.466 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.724 2.354 -1.736 1.00 0.00 C ATOM 0 H VAL A 46 -2.767 1.381 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.371 1.702 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.821 0.229 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.989 0.808 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.866 -0.269 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.504 1.468 -0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.395 2.410 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.967 3.134 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.295 2.496 -2.653 1.00 0.00 H new ATOM 690 N ALA A 47 -1.017 -1.502 -3.370 1.00 0.00 N ATOM 691 CA ALA A 47 -0.424 -2.834 -3.369 1.00 0.00 C ATOM 692 C ALA A 47 0.911 -2.840 -4.106 1.00 0.00 C ATOM 693 O ALA A 47 1.924 -3.287 -3.569 1.00 0.00 O ATOM 694 CB ALA A 47 -1.380 -3.838 -3.997 1.00 0.00 C ATOM 0 H ALA A 47 -1.962 -1.461 -3.751 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.240 -3.122 -2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.924 -4.828 -3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.309 -3.862 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.593 -3.544 -5.025 1.00 0.00 H new ATOM 700 N GLU A 48 0.905 -2.341 -5.338 1.00 0.00 N ATOM 701 CA GLU A 48 2.116 -2.292 -6.148 1.00 0.00 C ATOM 702 C GLU A 48 3.290 -1.747 -5.339 1.00 0.00 C ATOM 703 O GLU A 48 4.417 -2.227 -5.457 1.00 0.00 O ATOM 704 CB GLU A 48 1.892 -1.425 -7.389 1.00 0.00 C ATOM 705 CG GLU A 48 0.949 -2.048 -8.404 1.00 0.00 C ATOM 706 CD GLU A 48 1.602 -3.163 -9.198 1.00 0.00 C ATOM 707 OE1 GLU A 48 2.502 -2.866 -10.011 1.00 0.00 O ATOM 708 OE2 GLU A 48 1.212 -4.334 -9.006 1.00 0.00 O ATOM 0 H GLU A 48 0.075 -1.965 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 48 2.354 -3.308 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.493 -0.459 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.853 -1.235 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.072 -2.440 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.597 -1.277 -9.089 1.00 0.00 H new ATOM 715 N VAL A 49 3.016 -0.739 -4.516 1.00 0.00 N ATOM 716 CA VAL A 49 4.048 -0.128 -3.686 1.00 0.00 C ATOM 717 C VAL A 49 4.667 -1.149 -2.738 1.00 0.00 C ATOM 718 O VAL A 49 5.874 -1.132 -2.493 1.00 0.00 O ATOM 719 CB VAL A 49 3.484 1.044 -2.862 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.574 1.668 -2.004 1.00 0.00 C ATOM 721 CG2 VAL A 49 2.854 2.084 -3.777 1.00 0.00 C ATOM 0 H VAL A 49 2.089 -0.329 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 49 4.816 0.248 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 49 2.709 0.659 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.156 2.494 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.975 0.918 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.373 2.040 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.461 2.905 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.607 2.466 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.043 1.627 -4.343 1.00 0.00 H new ATOM 731 N ILE A 50 3.834 -2.039 -2.209 1.00 0.00 N ATOM 732 CA ILE A 50 4.300 -3.069 -1.289 1.00 0.00 C ATOM 733 C ILE A 50 5.217 -4.062 -1.995 1.00 0.00 C ATOM 734 O ILE A 50 6.114 -4.640 -1.382 1.00 0.00 O ATOM 735 CB ILE A 50 3.122 -3.834 -0.657 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.098 -2.854 -0.082 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.624 -4.779 0.424 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.738 -3.471 0.154 1.00 0.00 C ATOM 0 H ILE A 50 2.833 -2.067 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 50 4.856 -2.561 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 50 2.635 -4.425 -1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.476 -2.457 0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.992 -2.010 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.780 -5.313 0.861 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.319 -5.496 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.133 -4.207 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.063 -2.719 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.339 -3.843 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.831 -4.297 0.860 1.00 0.00 H new ATOM 750 N LYS A 51 4.986 -4.254 -3.290 1.00 0.00 N ATOM 751 CA LYS A 51 5.793 -5.175 -4.082 1.00 0.00 C ATOM 752 C LYS A 51 7.281 -4.899 -3.889 1.00 0.00 C ATOM 753 O LYS A 51 8.086 -5.826 -3.791 1.00 0.00 O ATOM 754 CB LYS A 51 5.430 -5.057 -5.564 1.00 0.00 C ATOM 755 CG LYS A 51 6.093 -6.108 -6.438 1.00 0.00 C ATOM 756 CD LYS A 51 5.297 -7.402 -6.455 1.00 0.00 C ATOM 757 CE LYS A 51 5.809 -8.357 -7.523 1.00 0.00 C ATOM 758 NZ LYS A 51 5.450 -7.900 -8.894 1.00 0.00 N ATOM 0 H LYS A 51 4.247 -3.784 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 51 5.582 -6.189 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.348 -5.136 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.714 -4.067 -5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.192 -5.727 -7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.101 -6.304 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.358 -7.881 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.245 -7.181 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.892 -8.446 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.394 -9.350 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.617 -8.671 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.446 -7.629 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.036 -7.080 -9.151 1.00 0.00 H new ATOM 772 N PHE A 52 7.639 -3.621 -3.834 1.00 0.00 N ATOM 773 CA PHE A 52 9.030 -3.224 -3.652 1.00 0.00 C ATOM 774 C PHE A 52 9.591 -3.790 -2.351 1.00 0.00 C ATOM 775 O PHE A 52 10.796 -4.011 -2.226 1.00 0.00 O ATOM 776 CB PHE A 52 9.152 -1.699 -3.652 1.00 0.00 C ATOM 777 CG PHE A 52 10.571 -1.210 -3.706 1.00 0.00 C ATOM 778 CD1 PHE A 52 11.395 -1.313 -2.596 1.00 0.00 C ATOM 779 CD2 PHE A 52 11.082 -0.649 -4.865 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.701 -0.864 -2.642 1.00 0.00 C ATOM 781 CE2 PHE A 52 12.387 -0.198 -4.917 1.00 0.00 C ATOM 782 CZ PHE A 52 13.198 -0.307 -3.805 1.00 0.00 C ATOM 0 H PHE A 52 6.985 -2.842 -3.913 1.00 0.00 H new ATOM 0 HA PHE A 52 9.608 -3.628 -4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.606 -1.299 -4.506 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.674 -1.305 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.012 -1.749 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.453 -0.563 -5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.333 -0.948 -1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.772 0.239 -5.826 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.219 0.042 -3.844 1.00 0.00 H new ATOM 792 N TYR A 53 8.710 -4.020 -1.384 1.00 0.00 N ATOM 793 CA TYR A 53 9.116 -4.557 -0.091 1.00 0.00 C ATOM 794 C TYR A 53 8.925 -6.070 -0.044 1.00 0.00 C ATOM 795 O TYR A 53 9.892 -6.828 0.021 1.00 0.00 O ATOM 796 CB TYR A 53 8.318 -3.896 1.033 1.00 0.00 C ATOM 797 CG TYR A 53 8.505 -2.397 1.109 1.00 0.00 C ATOM 798 CD1 TYR A 53 7.818 -1.547 0.252 1.00 0.00 C ATOM 799 CD2 TYR A 53 9.369 -1.832 2.038 1.00 0.00 C ATOM 800 CE1 TYR A 53 7.987 -0.177 0.317 1.00 0.00 C ATOM 801 CE2 TYR A 53 9.543 -0.463 2.112 1.00 0.00 C ATOM 802 CZ TYR A 53 8.850 0.360 1.249 1.00 0.00 C ATOM 803 OH TYR A 53 9.020 1.724 1.318 1.00 0.00 O ATOM 0 H TYR A 53 7.709 -3.843 -1.471 1.00 0.00 H new ATOM 0 HA TYR A 53 10.175 -4.339 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.259 -4.115 0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.612 -4.339 1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.140 -1.964 -0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.914 -2.474 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.446 0.470 -0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.218 -0.040 2.841 1.00 0.00 H new ATOM 0 HH TYR A 53 8.252 2.171 0.905 1.00 0.00 H new ATOM 813 N PHE A 54 7.668 -6.502 -0.080 1.00 0.00 N ATOM 814 CA PHE A 54 7.347 -7.924 -0.041 1.00 0.00 C ATOM 815 C PHE A 54 6.317 -8.277 -1.109 1.00 0.00 C ATOM 816 O PHE A 54 5.270 -7.641 -1.232 1.00 0.00 O ATOM 817 CB PHE A 54 6.820 -8.312 1.342 1.00 0.00 C ATOM 818 CG PHE A 54 7.724 -7.896 2.467 1.00 0.00 C ATOM 819 CD1 PHE A 54 8.951 -8.512 2.651 1.00 0.00 C ATOM 820 CD2 PHE A 54 7.346 -6.890 3.341 1.00 0.00 C ATOM 821 CE1 PHE A 54 9.786 -8.132 3.685 1.00 0.00 C ATOM 822 CE2 PHE A 54 8.176 -6.505 4.376 1.00 0.00 C ATOM 823 CZ PHE A 54 9.397 -7.127 4.549 1.00 0.00 C ATOM 0 H PHE A 54 6.856 -5.888 -0.136 1.00 0.00 H new ATOM 0 HA PHE A 54 8.260 -8.484 -0.243 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.839 -7.859 1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.681 -9.392 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.259 -9.299 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.392 -6.401 3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.740 -8.620 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.870 -5.718 5.050 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.046 -6.828 5.358 1.00 0.00 H new ATOM 833 N PRO A 55 6.619 -9.317 -1.901 1.00 0.00 N ATOM 834 CA PRO A 55 5.733 -9.780 -2.973 1.00 0.00 C ATOM 835 C PRO A 55 4.464 -10.433 -2.435 1.00 0.00 C ATOM 836 O PRO A 55 3.354 -10.083 -2.837 1.00 0.00 O ATOM 837 CB PRO A 55 6.587 -10.806 -3.721 1.00 0.00 C ATOM 838 CG PRO A 55 7.567 -11.292 -2.710 1.00 0.00 C ATOM 839 CD PRO A 55 7.850 -10.121 -1.811 1.00 0.00 C ATOM 0 HA PRO A 55 5.386 -8.958 -3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.977 -11.623 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.091 -10.354 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.160 -12.130 -2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.480 -11.645 -3.190 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.049 -10.439 -0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.722 -9.559 -2.145 1.00 0.00 H new ATOM 847 N LYS A 56 4.635 -11.384 -1.523 1.00 0.00 N ATOM 848 CA LYS A 56 3.505 -12.086 -0.927 1.00 0.00 C ATOM 849 C LYS A 56 2.542 -11.104 -0.266 1.00 0.00 C ATOM 850 O LYS A 56 1.344 -11.368 -0.167 1.00 0.00 O ATOM 851 CB LYS A 56 3.996 -13.106 0.103 1.00 0.00 C ATOM 852 CG LYS A 56 4.690 -12.477 1.298 1.00 0.00 C ATOM 853 CD LYS A 56 4.761 -13.440 2.472 1.00 0.00 C ATOM 854 CE LYS A 56 3.522 -13.343 3.348 1.00 0.00 C ATOM 855 NZ LYS A 56 3.809 -13.724 4.759 1.00 0.00 N ATOM 0 H LYS A 56 5.547 -11.686 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 56 2.975 -12.609 -1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.147 -13.693 0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.683 -13.798 -0.383 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.697 -12.171 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.155 -11.575 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.867 -14.460 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.647 -13.224 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.135 -12.324 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.743 -13.992 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.939 -13.645 5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.154 -14.705 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.534 -13.089 5.149 1.00 0.00 H new ATOM 869 N MET A 57 3.074 -9.972 0.182 1.00 0.00 N ATOM 870 CA MET A 57 2.260 -8.950 0.831 1.00 0.00 C ATOM 871 C MET A 57 1.375 -8.235 -0.184 1.00 0.00 C ATOM 872 O MET A 57 0.263 -7.812 0.135 1.00 0.00 O ATOM 873 CB MET A 57 3.153 -7.937 1.550 1.00 0.00 C ATOM 874 CG MET A 57 3.746 -8.463 2.847 1.00 0.00 C ATOM 875 SD MET A 57 2.515 -8.639 4.153 1.00 0.00 S ATOM 876 CE MET A 57 2.460 -6.967 4.794 1.00 0.00 C ATOM 0 H MET A 57 4.064 -9.739 0.108 1.00 0.00 H new ATOM 0 HA MET A 57 1.619 -9.442 1.563 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.963 -7.641 0.883 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.572 -7.040 1.763 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.214 -9.430 2.662 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.532 -7.787 3.183 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.922 -6.940 5.781 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.002 -6.302 4.122 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.423 -6.640 4.870 1.00 0.00 H new ATOM 886 N VAL A 58 1.875 -8.101 -1.408 1.00 0.00 N ATOM 887 CA VAL A 58 1.129 -7.437 -2.471 1.00 0.00 C ATOM 888 C VAL A 58 -0.242 -8.075 -2.661 1.00 0.00 C ATOM 889 O VAL A 58 -1.268 -7.466 -2.359 1.00 0.00 O ATOM 890 CB VAL A 58 1.894 -7.482 -3.807 1.00 0.00 C ATOM 891 CG1 VAL A 58 1.048 -6.897 -4.927 1.00 0.00 C ATOM 892 CG2 VAL A 58 3.219 -6.744 -3.687 1.00 0.00 C ATOM 0 H VAL A 58 2.794 -8.443 -1.689 1.00 0.00 H new ATOM 0 HA VAL A 58 1.004 -6.397 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 58 2.105 -8.523 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.605 -6.937 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.128 -7.473 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.803 -5.860 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.746 -6.786 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.033 -5.704 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.828 -7.213 -2.914 1.00 0.00 H new ATOM 902 N GLU A 59 -0.252 -9.306 -3.163 1.00 0.00 N ATOM 903 CA GLU A 59 -1.498 -10.027 -3.393 1.00 0.00 C ATOM 904 C GLU A 59 -2.379 -9.284 -4.394 1.00 0.00 C ATOM 905 O GLU A 59 -3.548 -9.012 -4.125 1.00 0.00 O ATOM 906 CB GLU A 59 -2.254 -10.219 -2.077 1.00 0.00 C ATOM 907 CG GLU A 59 -3.156 -11.441 -2.065 1.00 0.00 C ATOM 908 CD GLU A 59 -2.428 -12.707 -2.473 1.00 0.00 C ATOM 909 OE1 GLU A 59 -1.438 -13.066 -1.801 1.00 0.00 O ATOM 910 OE2 GLU A 59 -2.848 -13.339 -3.465 1.00 0.00 O ATOM 0 H GLU A 59 0.589 -9.824 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.251 -11.005 -3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.534 -10.302 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.856 -9.332 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.572 -11.571 -1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.995 -11.275 -2.740 1.00 0.00 H new ATOM 917 N MET A 60 -1.807 -8.960 -5.549 1.00 0.00 N ATOM 918 CA MET A 60 -2.540 -8.249 -6.591 1.00 0.00 C ATOM 919 C MET A 60 -3.243 -9.229 -7.526 1.00 0.00 C ATOM 920 O MET A 60 -3.147 -9.113 -8.748 1.00 0.00 O ATOM 921 CB MET A 60 -1.592 -7.354 -7.391 1.00 0.00 C ATOM 922 CG MET A 60 -1.390 -5.979 -6.774 1.00 0.00 C ATOM 923 SD MET A 60 -2.764 -4.860 -7.106 1.00 0.00 S ATOM 924 CE MET A 60 -3.755 -5.094 -5.632 1.00 0.00 C ATOM 0 H MET A 60 -0.839 -9.178 -5.787 1.00 0.00 H new ATOM 0 HA MET A 60 -3.295 -7.628 -6.110 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.625 -7.850 -7.479 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.983 -7.236 -8.402 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.264 -6.084 -5.696 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.469 -5.543 -7.162 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.729 -5.498 -5.909 1.00 0.00 H new ATOM 0 HE2 MET A 60 -3.251 -5.790 -4.961 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.889 -4.137 -5.128 1.00 0.00 H new ATOM 934 N HIS A 61 -3.949 -10.193 -6.944 1.00 0.00 N ATOM 935 CA HIS A 61 -4.668 -11.193 -7.726 1.00 0.00 C ATOM 936 C HIS A 61 -6.162 -11.153 -7.416 1.00 0.00 C ATOM 937 O HIS A 61 -6.992 -11.109 -8.322 1.00 0.00 O ATOM 938 CB HIS A 61 -4.113 -12.589 -7.442 1.00 0.00 C ATOM 939 CG HIS A 61 -4.902 -13.688 -8.084 1.00 0.00 C ATOM 940 ND1 HIS A 61 -5.778 -14.493 -7.386 1.00 0.00 N ATOM 941 CD2 HIS A 61 -4.944 -14.114 -9.368 1.00 0.00 C ATOM 942 CE1 HIS A 61 -6.323 -15.367 -8.212 1.00 0.00 C ATOM 943 NE2 HIS A 61 -5.834 -15.158 -9.421 1.00 0.00 N ATOM 0 H HIS A 61 -4.039 -10.303 -5.934 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.528 -10.963 -8.782 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.082 -12.640 -7.793 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.091 -12.750 -6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.382 -13.708 -10.196 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.046 -16.124 -7.945 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.078 -15.687 -10.258 1.00 0.00 H new ATOM 952 N ASN A 62 -6.495 -11.169 -6.129 1.00 0.00 N ATOM 953 CA ASN A 62 -7.888 -11.137 -5.700 1.00 0.00 C ATOM 954 C ASN A 62 -8.524 -9.787 -6.019 1.00 0.00 C ATOM 955 O ASN A 62 -9.591 -9.720 -6.630 1.00 0.00 O ATOM 956 CB ASN A 62 -7.989 -11.419 -4.200 1.00 0.00 C ATOM 957 CG ASN A 62 -7.663 -10.200 -3.359 1.00 0.00 C ATOM 958 OD1 ASN A 62 -8.450 -9.256 -3.285 1.00 0.00 O ATOM 959 ND2 ASN A 62 -6.499 -10.215 -2.721 1.00 0.00 N ATOM 0 H ASN A 62 -5.819 -11.204 -5.366 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.428 -11.911 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.997 -11.760 -3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.309 -12.230 -3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.226 -9.422 -2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.878 -11.019 -2.812 1.00 0.00 H new ATOM 966 N TYR A 63 -7.862 -8.714 -5.601 1.00 0.00 N ATOM 967 CA TYR A 63 -8.363 -7.366 -5.839 1.00 0.00 C ATOM 968 C TYR A 63 -8.554 -7.112 -7.331 1.00 0.00 C ATOM 969 O TYR A 63 -7.901 -7.736 -8.168 1.00 0.00 O ATOM 970 CB TYR A 63 -7.401 -6.331 -5.253 1.00 0.00 C ATOM 971 CG TYR A 63 -6.986 -6.627 -3.830 1.00 0.00 C ATOM 972 CD1 TYR A 63 -7.865 -6.423 -2.773 1.00 0.00 C ATOM 973 CD2 TYR A 63 -5.716 -7.112 -3.542 1.00 0.00 C ATOM 974 CE1 TYR A 63 -7.490 -6.692 -1.471 1.00 0.00 C ATOM 975 CE2 TYR A 63 -5.333 -7.385 -2.243 1.00 0.00 C ATOM 976 CZ TYR A 63 -6.223 -7.173 -1.211 1.00 0.00 C ATOM 977 OH TYR A 63 -5.847 -7.443 0.085 1.00 0.00 O ATOM 0 H TYR A 63 -6.977 -8.752 -5.096 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.331 -7.273 -5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.510 -6.280 -5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.872 -5.349 -5.288 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -8.858 -6.048 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.016 -7.278 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.185 -6.527 -0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.342 -7.762 -2.037 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.925 -7.775 0.096 1.00 0.00 H new ATOM 987 N VAL A 64 -9.453 -6.189 -7.658 1.00 0.00 N ATOM 988 CA VAL A 64 -9.730 -5.849 -9.048 1.00 0.00 C ATOM 989 C VAL A 64 -10.057 -4.368 -9.197 1.00 0.00 C ATOM 990 O VAL A 64 -10.797 -3.787 -8.403 1.00 0.00 O ATOM 991 CB VAL A 64 -10.900 -6.681 -9.607 1.00 0.00 C ATOM 992 CG1 VAL A 64 -11.214 -6.268 -11.036 1.00 0.00 C ATOM 993 CG2 VAL A 64 -10.582 -8.166 -9.530 1.00 0.00 C ATOM 0 H VAL A 64 -10.002 -5.663 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.828 -6.077 -9.615 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.783 -6.490 -8.997 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.043 -6.866 -11.414 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.488 -5.213 -11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.336 -6.428 -11.662 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.419 -8.739 -9.929 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.687 -8.377 -10.115 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.412 -8.448 -8.491 1.00 0.00 H new ATOM 1003 N PRO A 65 -9.494 -3.739 -10.240 1.00 0.00 N ATOM 1004 CA PRO A 65 -9.712 -2.317 -10.519 1.00 0.00 C ATOM 1005 C PRO A 65 -11.134 -2.030 -10.988 1.00 0.00 C ATOM 1006 O PRO A 65 -11.544 -2.469 -12.063 1.00 0.00 O ATOM 1007 CB PRO A 65 -8.709 -2.017 -11.636 1.00 0.00 C ATOM 1008 CG PRO A 65 -8.485 -3.328 -12.306 1.00 0.00 C ATOM 1009 CD PRO A 65 -8.601 -4.370 -11.227 1.00 0.00 C ATOM 0 HA PRO A 65 -9.577 -1.701 -9.630 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.103 -1.278 -12.334 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.779 -1.613 -11.235 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.222 -3.496 -13.091 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.503 -3.362 -12.778 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.019 -5.301 -11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.630 -4.611 -10.795 1.00 0.00 H new ATOM 1017 N ALA A 66 -11.882 -1.290 -10.177 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.258 -0.942 -10.511 1.00 0.00 C ATOM 1019 C ALA A 66 -13.442 0.571 -10.574 1.00 0.00 C ATOM 1020 O ALA A 66 -12.706 1.322 -9.935 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.217 -1.550 -9.498 1.00 0.00 C ATOM 0 H ALA A 66 -11.558 -0.920 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.481 -1.350 -11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.241 -1.282 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.113 -2.635 -9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.985 -1.169 -8.503 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.427 1.010 -11.350 1.00 0.00 N ATOM 1028 CA ASN A 67 -14.707 2.434 -11.497 1.00 0.00 C ATOM 1029 C ASN A 67 -15.963 2.825 -10.724 1.00 0.00 C ATOM 1030 O ASN A 67 -16.749 3.657 -11.177 1.00 0.00 O ATOM 1031 CB ASN A 67 -14.872 2.792 -12.976 1.00 0.00 C ATOM 1032 CG ASN A 67 -15.657 1.744 -13.740 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -16.739 1.334 -13.320 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -15.113 1.304 -14.869 1.00 0.00 N ATOM 0 H ASN A 67 -15.045 0.401 -11.887 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.863 2.989 -11.087 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -15.378 3.754 -13.060 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.888 2.908 -13.431 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.595 0.598 -15.426 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.214 1.672 -15.179 1.00 0.00 H new ATOM 1041 N SER A 68 -16.144 2.219 -9.555 1.00 0.00 N ATOM 1042 CA SER A 68 -17.306 2.501 -8.720 1.00 0.00 C ATOM 1043 C SER A 68 -16.888 2.746 -7.274 1.00 0.00 C ATOM 1044 O SER A 68 -16.151 1.954 -6.685 1.00 0.00 O ATOM 1045 CB SER A 68 -18.301 1.341 -8.786 1.00 0.00 C ATOM 1046 OG SER A 68 -17.695 0.125 -8.387 1.00 0.00 O ATOM 0 H SER A 68 -15.501 1.530 -9.165 1.00 0.00 H new ATOM 0 HA SER A 68 -17.786 3.403 -9.099 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.155 1.553 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 68 -18.684 1.244 -9.802 1.00 0.00 H new ATOM 0 HG SER A 68 -18.353 -0.600 -8.437 1.00 0.00 H new ATOM 1052 N LEU A 69 -17.365 3.848 -6.706 1.00 0.00 N ATOM 1053 CA LEU A 69 -17.042 4.199 -5.327 1.00 0.00 C ATOM 1054 C LEU A 69 -17.271 3.014 -4.395 1.00 0.00 C ATOM 1055 O LEU A 69 -16.356 2.575 -3.698 1.00 0.00 O ATOM 1056 CB LEU A 69 -17.887 5.391 -4.872 1.00 0.00 C ATOM 1057 CG LEU A 69 -17.392 6.129 -3.628 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -17.234 5.164 -2.463 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -16.077 6.838 -3.917 1.00 0.00 C ATOM 0 H LEU A 69 -17.976 4.514 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.987 4.472 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.945 6.104 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -18.901 5.040 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.134 6.879 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.881 5.707 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.196 4.702 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.512 4.391 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.739 7.358 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.327 6.106 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.221 7.559 -4.722 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.496 2.499 -4.391 1.00 0.00 N ATOM 1072 CA GLN A 70 -18.844 1.363 -3.545 1.00 0.00 C ATOM 1073 C GLN A 70 -17.701 0.355 -3.491 1.00 0.00 C ATOM 1074 O GLN A 70 -17.221 0.005 -2.413 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.114 0.685 -4.063 1.00 0.00 C ATOM 1076 CG GLN A 70 -21.390 1.426 -3.701 1.00 0.00 C ATOM 1077 CD GLN A 70 -21.892 1.081 -2.313 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -22.435 -0.002 -2.088 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -21.713 2.000 -1.372 1.00 0.00 N ATOM 0 H GLN A 70 -19.264 2.850 -4.964 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.025 1.735 -2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.051 0.595 -5.147 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.165 -0.327 -3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -21.212 2.500 -3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -22.163 1.189 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -21.258 2.884 -1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -22.030 1.822 -0.419 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.270 -0.108 -4.660 1.00 0.00 N ATOM 1089 CA GLN A 71 -16.184 -1.077 -4.745 1.00 0.00 C ATOM 1090 C GLN A 71 -14.918 -0.534 -4.090 1.00 0.00 C ATOM 1091 O GLN A 71 -14.321 -1.186 -3.233 1.00 0.00 O ATOM 1092 CB GLN A 71 -15.903 -1.434 -6.205 1.00 0.00 C ATOM 1093 CG GLN A 71 -15.229 -2.785 -6.382 1.00 0.00 C ATOM 1094 CD GLN A 71 -16.141 -3.943 -6.030 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -17.365 -3.828 -6.100 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -15.549 -5.069 -5.648 1.00 0.00 N ATOM 0 H GLN A 71 -17.656 0.172 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.491 -1.976 -4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.842 -1.430 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.271 -0.662 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.898 -2.889 -7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.337 -2.827 -5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.531 -5.121 -5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.112 -5.882 -5.399 1.00 0.00 H new ATOM 1105 N LYS A 72 -14.513 0.664 -4.499 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.318 1.296 -3.952 1.00 0.00 C ATOM 1107 C LYS A 72 -13.167 0.980 -2.467 1.00 0.00 C ATOM 1108 O LYS A 72 -12.140 0.454 -2.035 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.378 2.811 -4.158 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.499 3.222 -5.616 1.00 0.00 C ATOM 1111 CD LYS A 72 -12.134 3.393 -6.262 1.00 0.00 C ATOM 1112 CE LYS A 72 -12.222 3.318 -7.778 1.00 0.00 C ATOM 1113 NZ LYS A 72 -12.698 4.599 -8.370 1.00 0.00 N ATOM 0 H LYS A 72 -14.995 1.217 -5.208 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.452 0.897 -4.480 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.228 3.211 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.481 3.263 -3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.069 2.469 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.056 4.156 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.709 4.353 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.458 2.620 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.242 3.071 -8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.899 2.513 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.744 4.507 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.644 4.822 -8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.039 5.363 -8.120 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.195 1.303 -1.691 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.177 1.052 -0.254 1.00 0.00 C ATOM 1129 C LEU A 73 -14.018 -0.437 0.037 1.00 0.00 C ATOM 1130 O LEU A 73 -13.252 -0.829 0.918 1.00 0.00 O ATOM 1131 CB LEU A 73 -15.462 1.575 0.392 1.00 0.00 C ATOM 1132 CG LEU A 73 -15.457 3.048 0.799 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -16.857 3.500 1.185 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.485 3.281 1.947 1.00 0.00 C ATOM 0 H LEU A 73 -15.052 1.739 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.323 1.580 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.286 1.414 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.670 0.975 1.278 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.128 3.640 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.834 4.551 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.528 3.370 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.214 2.903 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.495 4.335 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.784 2.678 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.480 2.997 1.636 1.00 0.00 H new ATOM 1146 N SER A 74 -14.745 -1.262 -0.710 1.00 0.00 N ATOM 1147 CA SER A 74 -14.685 -2.708 -0.531 1.00 0.00 C ATOM 1148 C SER A 74 -13.238 -3.187 -0.456 1.00 0.00 C ATOM 1149 O SER A 74 -12.815 -3.762 0.545 1.00 0.00 O ATOM 1150 CB SER A 74 -15.410 -3.415 -1.678 1.00 0.00 C ATOM 1151 OG SER A 74 -15.884 -4.688 -1.274 1.00 0.00 O ATOM 0 H SER A 74 -15.382 -0.954 -1.445 1.00 0.00 H new ATOM 0 HA SER A 74 -15.179 -2.954 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.246 -2.803 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.734 -3.527 -2.525 1.00 0.00 H new ATOM 0 HG SER A 74 -16.345 -5.119 -2.024 1.00 0.00 H new ATOM 1157 N ASN A 75 -12.485 -2.944 -1.524 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.086 -3.350 -1.582 1.00 0.00 C ATOM 1159 C ASN A 75 -10.364 -2.999 -0.284 1.00 0.00 C ATOM 1160 O ASN A 75 -9.781 -3.865 0.368 1.00 0.00 O ATOM 1161 CB ASN A 75 -10.387 -2.680 -2.766 1.00 0.00 C ATOM 1162 CG ASN A 75 -10.925 -3.157 -4.101 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -11.995 -3.763 -4.171 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -10.185 -2.885 -5.169 1.00 0.00 N ATOM 0 H ASN A 75 -12.821 -2.468 -2.361 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.052 -4.431 -1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.510 -1.599 -2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.317 -2.883 -2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -10.497 -3.181 -6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.305 -2.380 -5.064 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.408 -1.723 0.083 1.00 0.00 N ATOM 1172 CA TRP A 76 -9.758 -1.257 1.303 1.00 0.00 C ATOM 1173 C TRP A 76 -10.086 -2.171 2.478 1.00 0.00 C ATOM 1174 O TRP A 76 -9.193 -2.751 3.093 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.190 0.176 1.619 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.310 1.214 0.991 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.604 1.992 -0.093 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -7.991 1.586 1.408 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.548 2.824 -0.375 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.547 2.596 0.532 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.144 1.166 2.436 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.293 3.188 0.655 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -5.900 1.755 2.557 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.484 2.757 1.671 1.00 0.00 C ATOM 0 H TRP A 76 -10.886 -0.994 -0.446 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.680 -1.277 1.142 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.214 0.323 1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.192 0.317 2.700 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.531 1.958 -0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.515 3.502 -1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.456 0.394 3.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.970 3.960 -0.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.237 1.437 3.348 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.506 3.198 1.792 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.374 -2.294 2.785 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.796 -3.140 3.886 1.00 0.00 C ATOM 1197 C GLY A 77 -11.016 -4.437 3.953 1.00 0.00 C ATOM 1198 O GLY A 77 -10.645 -4.892 5.036 1.00 0.00 O ATOM 0 H GLY A 77 -12.132 -1.823 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.675 -2.598 4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.858 -3.363 3.782 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.767 -5.037 2.793 1.00 0.00 N ATOM 1203 CA HIS A 78 -10.026 -6.292 2.724 1.00 0.00 C ATOM 1204 C HIS A 78 -8.540 -6.060 2.983 1.00 0.00 C ATOM 1205 O HIS A 78 -7.916 -6.780 3.763 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.222 -6.949 1.358 1.00 0.00 C ATOM 1207 CG HIS A 78 -11.456 -7.792 1.270 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -11.621 -8.963 1.980 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -12.591 -7.628 0.551 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -12.803 -9.482 1.701 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -13.412 -8.691 0.836 1.00 0.00 N ATOM 0 H HIS A 78 -11.067 -4.675 1.888 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.412 -6.957 3.497 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.267 -6.173 0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.353 -7.567 1.133 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -12.810 -6.812 -0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -13.204 -10.398 2.111 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -14.341 -8.845 0.444 1.00 0.00 H new ATOM 1220 N LEU A 79 -7.980 -5.053 2.323 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.567 -4.726 2.481 1.00 0.00 C ATOM 1222 C LEU A 79 -6.242 -4.401 3.935 1.00 0.00 C ATOM 1223 O LEU A 79 -5.076 -4.304 4.315 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.193 -3.544 1.586 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.713 -3.417 1.224 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.393 -4.242 -0.013 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.340 -1.958 1.005 1.00 0.00 C ATOM 0 H LEU A 79 -8.482 -4.448 1.673 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.983 -5.597 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.767 -3.618 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.505 -2.625 2.083 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.122 -3.801 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.335 -4.139 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.621 -5.290 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.993 -3.889 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.283 -1.887 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.939 -1.547 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.530 -1.393 1.917 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.283 -4.234 4.746 1.00 0.00 N ATOM 1240 CA ASN A 80 -7.108 -3.921 6.159 1.00 0.00 C ATOM 1241 C ASN A 80 -6.888 -5.191 6.975 1.00 0.00 C ATOM 1242 O ASN A 80 -6.121 -5.197 7.938 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.329 -3.166 6.690 1.00 0.00 C ATOM 1244 CG ASN A 80 -8.199 -2.818 8.160 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -7.190 -3.126 8.796 1.00 0.00 O ATOM 1246 ND2 ASN A 80 -9.222 -2.173 8.708 1.00 0.00 N ATOM 0 H ASN A 80 -8.256 -4.310 4.448 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.226 -3.289 6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.466 -2.251 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.222 -3.773 6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.192 -1.913 9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.038 -1.938 8.143 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.564 -6.265 6.581 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.442 -7.541 7.276 1.00 0.00 C ATOM 1255 C ARG A 81 -6.654 -8.544 6.437 1.00 0.00 C ATOM 1256 O ARG A 81 -6.452 -9.688 6.845 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.828 -8.106 7.596 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.612 -7.268 8.592 1.00 0.00 C ATOM 1259 CD ARG A 81 -10.959 -7.897 8.912 1.00 0.00 C ATOM 1260 NE ARG A 81 -11.864 -7.863 7.767 1.00 0.00 N ATOM 1261 CZ ARG A 81 -13.002 -8.547 7.709 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -13.370 -9.314 8.726 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -13.773 -8.465 6.632 1.00 0.00 N ATOM 0 H ARG A 81 -8.201 -6.277 5.785 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.903 -7.369 8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.400 -8.187 6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.717 -9.116 7.991 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.034 -7.157 9.510 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.764 -6.267 8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.811 -8.930 9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.415 -7.370 9.750 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.609 -7.283 6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.779 -9.380 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.244 -9.838 8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.492 -7.877 5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.646 -8.990 6.589 1.00 0.00 H new ATOM 1277 N LYS A 82 -6.212 -8.106 5.263 1.00 0.00 N ATOM 1278 CA LYS A 82 -5.445 -8.963 4.367 1.00 0.00 C ATOM 1279 C LYS A 82 -3.989 -8.513 4.296 1.00 0.00 C ATOM 1280 O LYS A 82 -3.088 -9.324 4.082 1.00 0.00 O ATOM 1281 CB LYS A 82 -6.062 -8.953 2.966 1.00 0.00 C ATOM 1282 CG LYS A 82 -7.368 -9.722 2.871 1.00 0.00 C ATOM 1283 CD LYS A 82 -7.140 -11.221 2.968 1.00 0.00 C ATOM 1284 CE LYS A 82 -6.647 -11.796 1.649 1.00 0.00 C ATOM 1285 NZ LYS A 82 -5.161 -11.780 1.557 1.00 0.00 N ATOM 0 H LYS A 82 -6.372 -7.163 4.910 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.474 -9.978 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.235 -7.921 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.348 -9.378 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.038 -9.403 3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.861 -9.488 1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.412 -11.429 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.069 -11.713 3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.006 -12.820 1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.068 -11.223 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.868 -11.150 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.761 -11.436 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.814 -12.743 1.370 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.766 -7.215 4.478 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.420 -6.658 4.438 1.00 0.00 C ATOM 1301 C VAL A 83 -2.032 -6.060 5.786 1.00 0.00 C ATOM 1302 O VAL A 83 -1.236 -6.639 6.528 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.294 -5.572 3.352 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -0.968 -4.838 3.482 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -2.441 -6.184 1.968 1.00 0.00 C ATOM 0 H VAL A 83 -4.501 -6.530 4.655 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.745 -7.480 4.200 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.097 -4.848 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.897 -4.075 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.908 -4.366 4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.147 -5.547 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.349 -5.403 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.661 -6.930 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.418 -6.659 1.882 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.598 -4.900 6.097 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.312 -4.223 7.358 1.00 0.00 C ATOM 1317 C LEU A 84 -2.197 -5.226 8.501 1.00 0.00 C ATOM 1318 O LEU A 84 -1.220 -5.221 9.250 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.406 -3.200 7.670 1.00 0.00 C ATOM 1320 CG LEU A 84 -3.660 -2.141 6.597 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -4.796 -1.220 7.014 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.394 -1.340 6.327 1.00 0.00 C ATOM 0 H LEU A 84 -3.258 -4.408 5.494 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.358 -3.706 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.337 -3.737 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.147 -2.692 8.599 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.949 -2.647 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.962 -0.473 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.705 -1.805 7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.536 -0.721 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.594 -0.591 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.074 -0.845 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.606 -2.010 5.983 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.201 -6.088 8.628 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.212 -7.100 9.677 1.00 0.00 C ATOM 1336 C LYS A 85 -1.808 -7.641 9.927 1.00 0.00 C ATOM 1337 O LYS A 85 -1.349 -7.701 11.067 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.152 -8.247 9.298 1.00 0.00 C ATOM 1339 CG LYS A 85 -4.653 -9.042 10.490 1.00 0.00 C ATOM 1340 CD LYS A 85 -5.124 -10.427 10.079 1.00 0.00 C ATOM 1341 CE LYS A 85 -5.637 -11.219 11.272 1.00 0.00 C ATOM 1342 NZ LYS A 85 -4.557 -11.493 12.261 1.00 0.00 N ATOM 0 H LYS A 85 -4.018 -6.105 8.017 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.570 -6.632 10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.007 -7.841 8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.633 -8.920 8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.857 -9.132 11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.472 -8.505 10.968 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.914 -10.337 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.302 -10.967 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.442 -10.666 11.757 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.061 -12.162 10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.894 -12.185 12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.724 -11.875 11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.298 -10.610 12.746 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.130 -8.032 8.852 1.00 0.00 N ATOM 1357 CA ARG A 86 0.222 -8.568 8.956 1.00 0.00 C ATOM 1358 C ARG A 86 1.145 -7.582 9.667 1.00 0.00 C ATOM 1359 O ARG A 86 1.985 -7.975 10.476 1.00 0.00 O ATOM 1360 CB ARG A 86 0.775 -8.887 7.565 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.046 -9.916 6.805 1.00 0.00 C ATOM 1362 CD ARG A 86 0.042 -11.289 7.454 1.00 0.00 C ATOM 1363 NE ARG A 86 -0.961 -12.209 6.926 1.00 0.00 N ATOM 1364 CZ ARG A 86 -0.885 -13.530 7.052 1.00 0.00 C ATOM 1365 NH1 ARG A 86 0.140 -14.081 7.686 1.00 0.00 N ATOM 1366 NH2 ARG A 86 -1.838 -14.302 6.544 1.00 0.00 N ATOM 0 H ARG A 86 -1.495 -7.988 7.900 1.00 0.00 H new ATOM 0 HA ARG A 86 0.178 -9.486 9.542 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.820 -7.967 6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.797 -9.252 7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.087 -9.596 6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.307 -9.976 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.036 -11.704 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.089 -11.190 8.532 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.764 -11.817 6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.873 -13.491 8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.195 -15.095 7.781 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.629 -13.882 6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.779 -15.316 6.641 1.00 0.00 H new ATOM 1380 N LEU A 87 0.982 -6.300 9.359 1.00 0.00 N ATOM 1381 CA LEU A 87 1.800 -5.257 9.968 1.00 0.00 C ATOM 1382 C LEU A 87 1.212 -4.814 11.304 1.00 0.00 C ATOM 1383 O LEU A 87 1.408 -3.679 11.734 1.00 0.00 O ATOM 1384 CB LEU A 87 1.916 -4.057 9.026 1.00 0.00 C ATOM 1385 CG LEU A 87 2.686 -4.296 7.727 1.00 0.00 C ATOM 1386 CD1 LEU A 87 2.238 -3.317 6.653 1.00 0.00 C ATOM 1387 CD2 LEU A 87 4.185 -4.179 7.966 1.00 0.00 C ATOM 0 H LEU A 87 0.291 -5.958 8.691 1.00 0.00 H new ATOM 0 HA LEU A 87 2.794 -5.668 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.911 -3.721 8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.398 -3.242 9.566 1.00 0.00 H new ATOM 0 HG LEU A 87 2.471 -5.307 7.381 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.797 -3.502 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.173 -3.449 6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.422 -2.297 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.717 -4.352 7.031 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.418 -3.181 8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.495 -4.920 8.702 1.00 0.00 H new ATOM 1399 N ASN A 88 0.492 -5.721 11.957 1.00 0.00 N ATOM 1400 CA ASN A 88 -0.124 -5.424 13.245 1.00 0.00 C ATOM 1401 C ASN A 88 -0.721 -4.020 13.253 1.00 0.00 C ATOM 1402 O ASN A 88 -0.778 -3.363 14.293 1.00 0.00 O ATOM 1403 CB ASN A 88 0.906 -5.558 14.369 1.00 0.00 C ATOM 1404 CG ASN A 88 0.267 -5.900 15.701 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.757 -6.581 15.755 1.00 0.00 O ATOM 1406 ND2 ASN A 88 0.870 -5.426 16.785 1.00 0.00 N ATOM 0 H ASN A 88 0.321 -6.667 11.616 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.928 -6.142 13.409 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.628 -6.331 14.106 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.460 -4.624 14.464 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.486 -5.622 17.709 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.717 -4.866 16.693 1.00 0.00 H new ATOM 1413 N PHE A 89 -1.165 -3.566 12.086 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.758 -2.240 11.957 1.00 0.00 C ATOM 1415 C PHE A 89 -3.277 -2.331 11.845 1.00 0.00 C ATOM 1416 O PHE A 89 -3.807 -3.179 11.126 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.187 -1.519 10.733 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.248 -0.022 10.836 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -2.387 0.666 10.448 1.00 0.00 C ATOM 1420 CD2 PHE A 89 -0.168 0.697 11.321 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -2.445 2.044 10.541 1.00 0.00 C ATOM 1422 CE2 PHE A 89 -0.220 2.074 11.417 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.361 2.749 11.028 1.00 0.00 C ATOM 0 H PHE A 89 -1.125 -4.097 11.216 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.511 -1.671 12.853 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.150 -1.823 10.593 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.735 -1.837 9.846 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.238 0.120 10.069 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.726 0.174 11.628 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.337 2.569 10.233 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.630 2.622 11.796 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.406 3.825 11.104 1.00 0.00 H new ATOM 1433 N SER A 90 -3.971 -1.453 12.561 1.00 0.00 N ATOM 1434 CA SER A 90 -5.429 -1.436 12.546 1.00 0.00 C ATOM 1435 C SER A 90 -5.954 -0.033 12.256 1.00 0.00 C ATOM 1436 O SER A 90 -5.361 0.962 12.671 1.00 0.00 O ATOM 1437 CB SER A 90 -5.979 -1.932 13.885 1.00 0.00 C ATOM 1438 OG SER A 90 -5.732 -0.993 14.917 1.00 0.00 O ATOM 0 H SER A 90 -3.547 -0.744 13.159 1.00 0.00 H new ATOM 0 HA SER A 90 -5.767 -2.102 11.752 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.051 -2.108 13.798 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.519 -2.887 14.140 1.00 0.00 H new ATOM 0 HG SER A 90 -6.095 -1.333 15.762 1.00 0.00 H new ATOM 1444 N VAL A 91 -7.071 0.037 11.539 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.677 1.317 11.193 1.00 0.00 C ATOM 1446 C VAL A 91 -9.199 1.237 11.249 1.00 0.00 C ATOM 1447 O VAL A 91 -9.813 0.278 10.781 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.250 1.779 9.787 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -7.949 3.078 9.416 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.739 1.937 9.715 1.00 0.00 C ATOM 0 H VAL A 91 -7.574 -0.777 11.187 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.326 2.042 11.927 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.547 1.017 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.635 3.389 8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.028 2.926 9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.686 3.852 10.137 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.455 2.264 8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.416 2.679 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.262 0.981 9.934 1.00 0.00 H new ATOM 1460 N PRO A 92 -9.824 2.269 11.836 1.00 0.00 N ATOM 1461 CA PRO A 92 -11.283 2.339 11.967 1.00 0.00 C ATOM 1462 C PRO A 92 -11.975 2.556 10.626 1.00 0.00 C ATOM 1463 O PRO A 92 -11.378 3.081 9.686 1.00 0.00 O ATOM 1464 CB PRO A 92 -11.498 3.548 12.881 1.00 0.00 C ATOM 1465 CG PRO A 92 -10.290 4.396 12.679 1.00 0.00 C ATOM 1466 CD PRO A 92 -9.156 3.445 12.416 1.00 0.00 C ATOM 0 HA PRO A 92 -11.703 1.412 12.357 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.408 4.087 12.617 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.598 3.244 13.923 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.429 5.079 11.841 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.091 5.007 13.559 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.425 3.871 11.729 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.623 3.193 13.332 1.00 0.00 H new ATOM 1474 N ASP A 93 -13.237 2.148 10.544 1.00 0.00 N ATOM 1475 CA ASP A 93 -14.011 2.299 9.318 1.00 0.00 C ATOM 1476 C ASP A 93 -14.167 3.771 8.951 1.00 0.00 C ATOM 1477 O ASP A 93 -14.453 4.108 7.802 1.00 0.00 O ATOM 1478 CB ASP A 93 -15.388 1.651 9.476 1.00 0.00 C ATOM 1479 CG ASP A 93 -15.300 0.157 9.718 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -14.492 -0.508 9.037 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -16.040 -0.347 10.588 1.00 0.00 O ATOM 0 H ASP A 93 -13.745 1.710 11.312 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.472 1.798 8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -15.914 2.120 10.307 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.979 1.837 8.579 1.00 0.00 H new ATOM 1486 N ASP A 94 -13.978 4.644 9.935 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.098 6.080 9.716 1.00 0.00 C ATOM 1488 C ASP A 94 -12.932 6.602 8.882 1.00 0.00 C ATOM 1489 O ASP A 94 -13.120 7.398 7.962 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.154 6.819 11.054 1.00 0.00 C ATOM 1491 CG ASP A 94 -15.535 6.780 11.679 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -16.411 7.550 11.231 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -15.741 5.980 12.615 1.00 0.00 O ATOM 0 H ASP A 94 -13.741 4.382 10.892 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.023 6.263 9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.434 6.375 11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.855 7.857 10.906 1.00 0.00 H new ATOM 1498 N VAL A 95 -11.727 6.148 9.210 1.00 0.00 N ATOM 1499 CA VAL A 95 -10.530 6.569 8.492 1.00 0.00 C ATOM 1500 C VAL A 95 -10.565 6.098 7.042 1.00 0.00 C ATOM 1501 O VAL A 95 -9.990 6.733 6.159 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.253 6.030 9.164 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.064 6.144 8.222 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -8.984 6.769 10.466 1.00 0.00 C ATOM 0 H VAL A 95 -11.554 5.488 9.969 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.513 7.659 8.517 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.403 4.975 9.395 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.171 5.758 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.259 5.566 7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.909 7.190 7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.078 6.375 10.927 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.855 7.832 10.261 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.826 6.630 11.144 1.00 0.00 H new ATOM 1514 N MET A 96 -11.245 4.981 6.805 1.00 0.00 N ATOM 1515 CA MET A 96 -11.357 4.426 5.461 1.00 0.00 C ATOM 1516 C MET A 96 -12.303 5.262 4.605 1.00 0.00 C ATOM 1517 O MET A 96 -11.958 5.662 3.492 1.00 0.00 O ATOM 1518 CB MET A 96 -11.850 2.979 5.523 1.00 0.00 C ATOM 1519 CG MET A 96 -10.867 2.030 6.187 1.00 0.00 C ATOM 1520 SD MET A 96 -11.008 0.341 5.571 1.00 0.00 S ATOM 1521 CE MET A 96 -11.837 -0.453 6.946 1.00 0.00 C ATOM 0 H MET A 96 -11.726 4.443 7.525 1.00 0.00 H new ATOM 0 HA MET A 96 -10.368 4.446 5.003 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.795 2.949 6.066 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.053 2.629 4.511 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.852 2.390 6.020 1.00 0.00 H new ATOM 0 HG3 MET A 96 -11.034 2.035 7.264 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.760 -1.535 6.841 1.00 0.00 H new ATOM 0 HE2 MET A 96 -11.368 -0.145 7.881 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.888 -0.163 6.954 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.496 5.522 5.130 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.491 6.309 4.412 1.00 0.00 C ATOM 1533 C ARG A 97 -13.862 7.560 3.807 1.00 0.00 C ATOM 1534 O ARG A 97 -14.180 7.947 2.682 1.00 0.00 O ATOM 1535 CB ARG A 97 -15.634 6.702 5.350 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.594 5.563 5.651 1.00 0.00 C ATOM 1537 CD ARG A 97 -17.890 6.072 6.262 1.00 0.00 C ATOM 1538 NE ARG A 97 -18.809 4.984 6.583 1.00 0.00 N ATOM 1539 CZ ARG A 97 -20.052 5.174 7.012 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -20.521 6.404 7.172 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -20.828 4.133 7.283 1.00 0.00 N ATOM 0 H ARG A 97 -13.797 5.199 6.050 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.888 5.696 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.214 7.069 6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.190 7.527 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.813 5.018 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -16.121 4.858 6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.667 6.636 7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -18.372 6.760 5.568 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.479 4.025 6.472 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -19.927 7.207 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.476 6.547 7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.471 3.185 7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.782 4.280 7.612 1.00 0.00 H new ATOM 1555 N LYS A 98 -12.968 8.190 4.561 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.292 9.398 4.101 1.00 0.00 C ATOM 1557 C LYS A 98 -11.413 9.101 2.890 1.00 0.00 C ATOM 1558 O LYS A 98 -11.565 9.718 1.836 1.00 0.00 O ATOM 1559 CB LYS A 98 -11.444 9.993 5.227 1.00 0.00 C ATOM 1560 CG LYS A 98 -12.265 10.625 6.338 1.00 0.00 C ATOM 1561 CD LYS A 98 -11.507 10.635 7.655 1.00 0.00 C ATOM 1562 CE LYS A 98 -12.343 11.235 8.775 1.00 0.00 C ATOM 1563 NZ LYS A 98 -11.612 11.237 10.072 1.00 0.00 N ATOM 0 H LYS A 98 -12.694 7.884 5.495 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.053 10.121 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.817 9.209 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -10.775 10.745 4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.529 11.646 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.199 10.076 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.221 9.617 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.586 11.206 7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.622 12.256 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.269 10.669 8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.215 11.654 10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.368 10.261 10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.741 11.798 9.979 1.00 0.00 H new ATOM 1577 N ILE A 99 -10.496 8.154 3.049 1.00 0.00 N ATOM 1578 CA ILE A 99 -9.595 7.775 1.968 1.00 0.00 C ATOM 1579 C ILE A 99 -10.361 7.535 0.672 1.00 0.00 C ATOM 1580 O ILE A 99 -10.084 8.162 -0.350 1.00 0.00 O ATOM 1581 CB ILE A 99 -8.795 6.506 2.320 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -7.953 6.740 3.576 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -7.910 6.097 1.152 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.400 5.467 4.178 1.00 0.00 C ATOM 0 H ILE A 99 -10.357 7.635 3.916 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.902 8.605 1.830 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.496 5.696 2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.126 7.406 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.562 7.251 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.351 5.199 1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.530 5.895 0.279 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.214 6.904 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -6.814 5.709 5.065 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.223 4.808 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.764 4.966 3.448 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.328 6.625 0.722 1.00 0.00 N ATOM 1597 CA ALA A 100 -12.138 6.305 -0.447 1.00 0.00 C ATOM 1598 C ALA A 100 -12.878 7.537 -0.956 1.00 0.00 C ATOM 1599 O ALA A 100 -13.320 7.577 -2.104 1.00 0.00 O ATOM 1600 CB ALA A 100 -13.124 5.193 -0.118 1.00 0.00 C ATOM 0 H ALA A 100 -11.570 6.096 1.560 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.471 5.962 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.722 4.964 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.578 4.302 0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.779 5.515 0.691 1.00 0.00 H new ATOM 1606 N GLN A 101 -13.010 8.540 -0.094 1.00 0.00 N ATOM 1607 CA GLN A 101 -13.699 9.773 -0.457 1.00 0.00 C ATOM 1608 C GLN A 101 -12.721 10.793 -1.031 1.00 0.00 C ATOM 1609 O GLN A 101 -12.965 12.000 -0.979 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.411 10.362 0.762 1.00 0.00 C ATOM 1611 CG GLN A 101 -15.756 9.715 1.052 1.00 0.00 C ATOM 1612 CD GLN A 101 -16.888 10.341 0.262 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -16.957 11.562 0.115 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -17.784 9.507 -0.252 1.00 0.00 N ATOM 0 H GLN A 101 -12.649 8.523 0.860 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.439 9.535 -1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.769 10.253 1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.557 11.431 0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -15.701 8.652 0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -15.972 9.798 2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -17.688 8.502 -0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -18.568 9.871 -0.793 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.615 10.302 -1.579 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.600 11.172 -2.163 1.00 0.00 C ATOM 1625 C CYS A 102 -10.371 12.402 -1.291 1.00 0.00 C ATOM 1626 O CYS A 102 -10.194 13.509 -1.797 1.00 0.00 O ATOM 1627 CB CYS A 102 -11.014 11.600 -3.571 1.00 0.00 C ATOM 1628 SG CYS A 102 -11.133 10.236 -4.752 1.00 0.00 S ATOM 0 H CYS A 102 -11.398 9.307 -1.631 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.667 10.612 -2.221 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.979 12.105 -3.517 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -10.294 12.328 -3.944 1.00 0.00 H new ATOM 0 HG CYS A 102 -11.491 10.698 -5.913 1.00 0.00 H new ATOM 1634 N ALA A 103 -10.377 12.199 0.023 1.00 0.00 N ATOM 1635 CA ALA A 103 -10.169 13.291 0.965 1.00 0.00 C ATOM 1636 C ALA A 103 -8.684 13.590 1.142 1.00 0.00 C ATOM 1637 O ALA A 103 -7.881 12.707 1.443 1.00 0.00 O ATOM 1638 CB ALA A 103 -10.806 12.959 2.307 1.00 0.00 C ATOM 0 H ALA A 103 -10.524 11.288 0.458 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.646 14.183 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.643 13.783 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.877 12.804 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.355 12.052 2.709 1.00 0.00 H new ATOM 1644 N PRO A 104 -8.309 14.863 0.949 1.00 0.00 N ATOM 1645 CA PRO A 104 -6.918 15.307 1.081 1.00 0.00 C ATOM 1646 C PRO A 104 -6.437 15.281 2.527 1.00 0.00 C ATOM 1647 O PRO A 104 -7.136 15.735 3.433 1.00 0.00 O ATOM 1648 CB PRO A 104 -6.953 16.744 0.554 1.00 0.00 C ATOM 1649 CG PRO A 104 -8.358 17.191 0.766 1.00 0.00 C ATOM 1650 CD PRO A 104 -9.213 15.967 0.587 1.00 0.00 C ATOM 0 HA PRO A 104 -6.229 14.657 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.250 17.380 1.092 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.679 16.786 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.487 17.615 1.762 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.633 17.967 0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -10.092 15.994 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.571 15.873 -0.438 1.00 0.00 H new ATOM 1658 N GLY A 105 -5.237 14.748 2.738 1.00 0.00 N ATOM 1659 CA GLY A 105 -4.683 14.674 4.077 1.00 0.00 C ATOM 1660 C GLY A 105 -5.357 13.614 4.926 1.00 0.00 C ATOM 1661 O GLY A 105 -5.679 13.852 6.090 1.00 0.00 O ATOM 0 H GLY A 105 -4.639 14.366 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.616 14.460 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.786 15.644 4.563 1.00 0.00 H new ATOM 1665 N VAL A 106 -5.573 12.439 4.342 1.00 0.00 N ATOM 1666 CA VAL A 106 -6.214 11.339 5.052 1.00 0.00 C ATOM 1667 C VAL A 106 -5.461 10.031 4.832 1.00 0.00 C ATOM 1668 O VAL A 106 -4.995 9.404 5.783 1.00 0.00 O ATOM 1669 CB VAL A 106 -7.676 11.158 4.604 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -8.352 10.064 5.416 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.436 12.471 4.725 1.00 0.00 C ATOM 0 H VAL A 106 -5.313 12.225 3.379 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.196 11.592 6.112 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.683 10.856 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.384 9.951 5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.820 9.123 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.337 10.333 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.468 12.325 4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.422 12.805 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.963 13.224 4.095 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.346 9.625 3.572 1.00 0.00 N ATOM 1682 CA VAL A 107 -4.648 8.392 3.227 1.00 0.00 C ATOM 1683 C VAL A 107 -3.181 8.458 3.636 1.00 0.00 C ATOM 1684 O VAL A 107 -2.608 7.467 4.087 1.00 0.00 O ATOM 1685 CB VAL A 107 -4.736 8.102 1.716 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -4.089 9.224 0.918 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -4.089 6.764 1.393 1.00 0.00 C ATOM 0 H VAL A 107 -5.727 10.132 2.773 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.138 7.587 3.774 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.788 8.049 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.161 9.002 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.602 10.163 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.040 9.313 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.160 6.575 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.040 6.786 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.603 5.971 1.936 1.00 0.00 H new ATOM 1697 N GLU A 108 -2.580 9.632 3.476 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.178 9.826 3.830 1.00 0.00 C ATOM 1699 C GLU A 108 -0.938 9.501 5.301 1.00 0.00 C ATOM 1700 O GLU A 108 0.090 8.928 5.662 1.00 0.00 O ATOM 1701 CB GLU A 108 -0.750 11.266 3.537 1.00 0.00 C ATOM 1702 CG GLU A 108 -0.763 11.617 2.059 1.00 0.00 C ATOM 1703 CD GLU A 108 -2.122 12.091 1.583 1.00 0.00 C ATOM 1704 OE1 GLU A 108 -3.082 12.034 2.380 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -2.226 12.519 0.415 1.00 0.00 O ATOM 0 H GLU A 108 -3.041 10.463 3.104 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.579 9.146 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.413 11.948 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 108 0.254 11.425 3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.024 12.395 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.464 10.744 1.480 1.00 0.00 H new ATOM 1712 N LEU A 109 -1.894 9.872 6.146 1.00 0.00 N ATOM 1713 CA LEU A 109 -1.787 9.621 7.579 1.00 0.00 C ATOM 1714 C LEU A 109 -1.606 8.133 7.859 1.00 0.00 C ATOM 1715 O LEU A 109 -1.150 7.744 8.935 1.00 0.00 O ATOM 1716 CB LEU A 109 -3.032 10.139 8.302 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.410 11.595 8.027 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -4.838 11.869 8.473 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -2.442 12.539 8.725 1.00 0.00 C ATOM 0 H LEU A 109 -2.751 10.347 5.864 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.911 10.152 7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.877 9.507 8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.881 10.020 9.375 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.346 11.770 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.089 12.910 8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.521 11.218 7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.929 11.676 9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.727 13.571 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.473 12.363 9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.431 12.361 8.358 1.00 0.00 H new ATOM 1731 N VAL A 110 -1.963 7.304 6.884 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.837 5.858 7.023 1.00 0.00 C ATOM 1733 C VAL A 110 -0.645 5.332 6.232 1.00 0.00 C ATOM 1734 O VAL A 110 -0.193 4.206 6.444 1.00 0.00 O ATOM 1735 CB VAL A 110 -3.112 5.135 6.552 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.993 3.636 6.784 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -4.336 5.697 7.260 1.00 0.00 C ATOM 0 H VAL A 110 -2.342 7.609 5.988 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.684 5.654 8.083 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.230 5.304 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.904 3.142 6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.141 3.248 6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.850 3.443 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.228 5.174 6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.229 5.560 8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.429 6.760 7.037 1.00 0.00 H new ATOM 1747 N LEU A 111 -0.139 6.153 5.318 1.00 0.00 N ATOM 1748 CA LEU A 111 1.002 5.771 4.494 1.00 0.00 C ATOM 1749 C LEU A 111 2.315 6.048 5.219 1.00 0.00 C ATOM 1750 O LEU A 111 3.301 5.335 5.032 1.00 0.00 O ATOM 1751 CB LEU A 111 0.971 6.527 3.164 1.00 0.00 C ATOM 1752 CG LEU A 111 -0.240 6.263 2.269 1.00 0.00 C ATOM 1753 CD1 LEU A 111 -0.289 7.266 1.128 1.00 0.00 C ATOM 1754 CD2 LEU A 111 -0.204 4.840 1.730 1.00 0.00 C ATOM 0 H LEU A 111 -0.501 7.088 5.129 1.00 0.00 H new ATOM 0 HA LEU A 111 0.936 4.701 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.015 7.595 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.872 6.275 2.605 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.143 6.381 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.158 7.062 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.363 8.275 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.618 7.181 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.073 4.669 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.705 4.695 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.218 4.135 2.562 1.00 0.00 H new ATOM 1766 N ILE A 112 2.319 7.086 6.048 1.00 0.00 N ATOM 1767 CA ILE A 112 3.510 7.455 6.804 1.00 0.00 C ATOM 1768 C ILE A 112 3.964 6.311 7.705 1.00 0.00 C ATOM 1769 O ILE A 112 5.095 5.833 7.620 1.00 0.00 O ATOM 1770 CB ILE A 112 3.264 8.707 7.667 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.581 9.973 6.869 1.00 0.00 C ATOM 1772 CG2 ILE A 112 4.103 8.649 8.935 1.00 0.00 C ATOM 1773 CD1 ILE A 112 3.035 11.236 7.497 1.00 0.00 C ATOM 0 H ILE A 112 1.511 7.687 6.213 1.00 0.00 H new ATOM 0 HA ILE A 112 4.291 7.674 6.076 1.00 0.00 H new ATOM 0 HB ILE A 112 2.212 8.734 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.662 10.066 6.766 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.172 9.871 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.918 9.540 9.535 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.833 7.763 9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.159 8.602 8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.298 12.093 6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.950 11.164 7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.463 11.362 8.491 1.00 0.00 H new ATOM 1785 N PRO A 113 3.062 5.861 8.590 1.00 0.00 N ATOM 1786 CA PRO A 113 3.347 4.766 9.523 1.00 0.00 C ATOM 1787 C PRO A 113 3.472 3.421 8.817 1.00 0.00 C ATOM 1788 O PRO A 113 4.155 2.516 9.299 1.00 0.00 O ATOM 1789 CB PRO A 113 2.133 4.770 10.455 1.00 0.00 C ATOM 1790 CG PRO A 113 1.037 5.376 9.648 1.00 0.00 C ATOM 1791 CD PRO A 113 1.695 6.384 8.747 1.00 0.00 C ATOM 0 HA PRO A 113 4.298 4.906 10.038 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.877 3.760 10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.328 5.351 11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.514 4.616 9.067 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.296 5.852 10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.182 6.461 7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.694 7.380 9.190 1.00 0.00 H new ATOM 1799 N LEU A 114 2.809 3.294 7.672 1.00 0.00 N ATOM 1800 CA LEU A 114 2.847 2.058 6.899 1.00 0.00 C ATOM 1801 C LEU A 114 4.259 1.771 6.399 1.00 0.00 C ATOM 1802 O LEU A 114 4.819 0.708 6.668 1.00 0.00 O ATOM 1803 CB LEU A 114 1.883 2.145 5.714 1.00 0.00 C ATOM 1804 CG LEU A 114 1.812 0.911 4.814 1.00 0.00 C ATOM 1805 CD1 LEU A 114 0.773 -0.070 5.334 1.00 0.00 C ATOM 1806 CD2 LEU A 114 1.498 1.314 3.381 1.00 0.00 C ATOM 0 H LEU A 114 2.239 4.032 7.259 1.00 0.00 H new ATOM 0 HA LEU A 114 2.539 1.241 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.883 2.347 6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.168 3.001 5.102 1.00 0.00 H new ATOM 0 HG LEU A 114 2.784 0.419 4.827 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.737 -0.942 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.041 -0.383 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.205 0.411 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.451 0.423 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.538 1.830 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.279 1.978 3.010 1.00 0.00 H new ATOM 1818 N ARG A 115 4.830 2.727 5.674 1.00 0.00 N ATOM 1819 CA ARG A 115 6.178 2.577 5.138 1.00 0.00 C ATOM 1820 C ARG A 115 7.179 2.299 6.256 1.00 0.00 C ATOM 1821 O ARG A 115 8.047 1.436 6.123 1.00 0.00 O ATOM 1822 CB ARG A 115 6.588 3.836 4.372 1.00 0.00 C ATOM 1823 CG ARG A 115 8.016 3.794 3.852 1.00 0.00 C ATOM 1824 CD ARG A 115 8.385 5.083 3.135 1.00 0.00 C ATOM 1825 NE ARG A 115 9.831 5.237 2.997 1.00 0.00 N ATOM 1826 CZ ARG A 115 10.646 5.475 4.019 1.00 0.00 C ATOM 1827 NH1 ARG A 115 10.159 5.584 5.247 1.00 0.00 N ATOM 1828 NH2 ARG A 115 11.950 5.603 3.813 1.00 0.00 N ATOM 0 H ARG A 115 4.381 3.613 5.444 1.00 0.00 H new ATOM 0 HA ARG A 115 6.178 1.728 4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 115 5.908 3.977 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.473 4.702 5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 115 8.702 3.629 4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 115 8.132 2.951 3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 115 7.923 5.094 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 115 7.981 5.933 3.685 1.00 0.00 H new ATOM 0 HE ARG A 115 10.237 5.157 2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.157 5.485 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 115 10.786 5.767 6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 115 12.328 5.519 2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 115 12.575 5.786 4.598 1.00 0.00 H new ATOM 1842 N GLN A 116 7.052 3.036 7.354 1.00 0.00 N ATOM 1843 CA GLN A 116 7.947 2.869 8.493 1.00 0.00 C ATOM 1844 C GLN A 116 8.022 1.406 8.917 1.00 0.00 C ATOM 1845 O GLN A 116 9.102 0.886 9.196 1.00 0.00 O ATOM 1846 CB GLN A 116 7.477 3.729 9.668 1.00 0.00 C ATOM 1847 CG GLN A 116 8.072 5.128 9.674 1.00 0.00 C ATOM 1848 CD GLN A 116 9.550 5.132 10.014 1.00 0.00 C ATOM 1849 OE1 GLN A 116 10.144 4.083 10.265 1.00 0.00 O ATOM 1850 NE2 GLN A 116 10.152 6.315 10.024 1.00 0.00 N ATOM 0 H GLN A 116 6.339 3.754 7.479 1.00 0.00 H new ATOM 0 HA GLN A 116 8.943 3.192 8.190 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.390 3.806 9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 116 7.737 3.229 10.601 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.927 5.585 8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.535 5.744 10.396 1.00 0.00 H new ATOM 0 HE21 GLN A 116 9.621 7.159 9.810 1.00 0.00 H new ATOM 0 HE22 GLN A 116 11.145 6.380 10.246 1.00 0.00 H new ATOM 1859 N ARG A 117 6.868 0.749 8.963 1.00 0.00 N ATOM 1860 CA ARG A 117 6.804 -0.654 9.355 1.00 0.00 C ATOM 1861 C ARG A 117 7.423 -1.547 8.283 1.00 0.00 C ATOM 1862 O ARG A 117 8.205 -2.449 8.587 1.00 0.00 O ATOM 1863 CB ARG A 117 5.353 -1.070 9.603 1.00 0.00 C ATOM 1864 CG ARG A 117 4.668 -0.268 10.698 1.00 0.00 C ATOM 1865 CD ARG A 117 4.944 -0.854 12.073 1.00 0.00 C ATOM 1866 NE ARG A 117 4.091 -0.262 13.101 1.00 0.00 N ATOM 1867 CZ ARG A 117 4.276 0.956 13.597 1.00 0.00 C ATOM 1868 NH1 ARG A 117 5.277 1.708 13.161 1.00 0.00 N ATOM 1869 NH2 ARG A 117 3.458 1.425 14.530 1.00 0.00 N ATOM 0 H ARG A 117 5.965 1.165 8.734 1.00 0.00 H new ATOM 0 HA ARG A 117 7.373 -0.774 10.277 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.789 -0.960 8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.327 -2.127 9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 117 5.015 0.765 10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.593 -0.249 10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.785 -1.932 12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.990 -0.693 12.333 1.00 0.00 H new ATOM 0 HE ARG A 117 3.311 -0.814 13.457 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.907 1.351 12.443 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.417 2.643 13.544 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.686 0.850 14.867 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.601 2.361 14.910 1.00 0.00 H new ATOM 1883 N LEU A 118 7.069 -1.289 7.029 1.00 0.00 N ATOM 1884 CA LEU A 118 7.590 -2.069 5.911 1.00 0.00 C ATOM 1885 C LEU A 118 9.113 -2.132 5.954 1.00 0.00 C ATOM 1886 O LEU A 118 9.701 -3.210 5.872 1.00 0.00 O ATOM 1887 CB LEU A 118 7.130 -1.464 4.584 1.00 0.00 C ATOM 1888 CG LEU A 118 5.694 -1.779 4.164 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.215 -0.788 3.114 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.590 -3.204 3.642 1.00 0.00 C ATOM 0 H LEU A 118 6.424 -0.546 6.760 1.00 0.00 H new ATOM 0 HA LEU A 118 7.201 -3.084 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.240 -0.381 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.801 -1.810 3.798 1.00 0.00 H new ATOM 0 HG LEU A 118 5.052 -1.687 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.191 -1.028 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.250 0.221 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.860 -0.846 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.561 -3.410 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.245 -3.324 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.890 -3.901 4.425 1.00 0.00 H new ATOM 1902 N GLU A 119 9.745 -0.970 6.086 1.00 0.00 N ATOM 1903 CA GLU A 119 11.200 -0.894 6.141 1.00 0.00 C ATOM 1904 C GLU A 119 11.746 -1.744 7.285 1.00 0.00 C ATOM 1905 O GLU A 119 12.789 -2.383 7.154 1.00 0.00 O ATOM 1906 CB GLU A 119 11.652 0.558 6.309 1.00 0.00 C ATOM 1907 CG GLU A 119 11.577 1.371 5.027 1.00 0.00 C ATOM 1908 CD GLU A 119 12.811 1.209 4.162 1.00 0.00 C ATOM 1909 OE1 GLU A 119 13.795 1.944 4.389 1.00 0.00 O ATOM 1910 OE2 GLU A 119 12.793 0.350 3.256 1.00 0.00 O ATOM 0 H GLU A 119 9.272 -0.069 6.157 1.00 0.00 H new ATOM 0 HA GLU A 119 11.594 -1.283 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.034 1.036 7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.678 0.570 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.697 1.067 4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.448 2.424 5.276 1.00 0.00 H new ATOM 1917 N GLU A 120 11.033 -1.744 8.407 1.00 0.00 N ATOM 1918 CA GLU A 120 11.446 -2.513 9.574 1.00 0.00 C ATOM 1919 C GLU A 120 11.532 -4.001 9.243 1.00 0.00 C ATOM 1920 O GLU A 120 12.533 -4.655 9.535 1.00 0.00 O ATOM 1921 CB GLU A 120 10.469 -2.292 10.731 1.00 0.00 C ATOM 1922 CG GLU A 120 10.857 -3.025 12.004 1.00 0.00 C ATOM 1923 CD GLU A 120 11.929 -2.298 12.793 1.00 0.00 C ATOM 1924 OE1 GLU A 120 13.023 -2.069 12.235 1.00 0.00 O ATOM 1925 OE2 GLU A 120 11.674 -1.958 13.967 1.00 0.00 O ATOM 0 H GLU A 120 10.167 -1.220 8.532 1.00 0.00 H new ATOM 0 HA GLU A 120 12.435 -2.167 9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.404 -1.225 10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.475 -2.617 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.973 -3.151 12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 120 11.213 -4.023 11.750 1.00 0.00 H new ATOM 1932 N ARG A 121 10.475 -4.527 8.634 1.00 0.00 N ATOM 1933 CA ARG A 121 10.429 -5.936 8.265 1.00 0.00 C ATOM 1934 C ARG A 121 11.435 -6.242 7.160 1.00 0.00 C ATOM 1935 O ARG A 121 12.111 -7.270 7.191 1.00 0.00 O ATOM 1936 CB ARG A 121 9.020 -6.320 7.807 1.00 0.00 C ATOM 1937 CG ARG A 121 8.099 -6.725 8.946 1.00 0.00 C ATOM 1938 CD ARG A 121 7.570 -5.511 9.693 1.00 0.00 C ATOM 1939 NE ARG A 121 7.264 -5.817 11.088 1.00 0.00 N ATOM 1940 CZ ARG A 121 6.172 -6.467 11.475 1.00 0.00 C ATOM 1941 NH1 ARG A 121 5.287 -6.877 10.577 1.00 0.00 N ATOM 1942 NH2 ARG A 121 5.963 -6.708 12.763 1.00 0.00 N ATOM 0 H ARG A 121 9.639 -3.998 8.386 1.00 0.00 H new ATOM 0 HA ARG A 121 10.691 -6.524 9.144 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.578 -5.478 7.275 1.00 0.00 H new ATOM 0 HB3 ARG A 121 9.090 -7.144 7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 121 7.264 -7.303 8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 121 8.637 -7.373 9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 121 8.308 -4.710 9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 121 6.672 -5.143 9.197 1.00 0.00 H new ATOM 0 HE ARG A 121 7.925 -5.515 11.804 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.444 -6.694 9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.449 -7.376 10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 121 6.641 -6.394 13.457 1.00 0.00 H new ATOM 0 HH22 ARG A 121 5.124 -7.207 13.059 1.00 0.00 H new ATOM 1956 N GLN A 122 11.528 -5.343 6.186 1.00 0.00 N ATOM 1957 CA GLN A 122 12.451 -5.518 5.071 1.00 0.00 C ATOM 1958 C GLN A 122 13.767 -6.126 5.544 1.00 0.00 C ATOM 1959 O GLN A 122 14.203 -7.159 5.035 1.00 0.00 O ATOM 1960 CB GLN A 122 12.713 -4.177 4.383 1.00 0.00 C ATOM 1961 CG GLN A 122 13.471 -4.304 3.071 1.00 0.00 C ATOM 1962 CD GLN A 122 13.536 -2.997 2.306 1.00 0.00 C ATOM 1963 OE1 GLN A 122 12.540 -2.282 2.189 1.00 0.00 O ATOM 1964 NE2 GLN A 122 14.712 -2.677 1.779 1.00 0.00 N ATOM 0 H GLN A 122 10.976 -4.486 6.146 1.00 0.00 H new ATOM 0 HA GLN A 122 11.992 -6.201 4.356 1.00 0.00 H new ATOM 0 HB2 GLN A 122 11.760 -3.682 4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 122 13.278 -3.536 5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 122 14.484 -4.653 3.273 1.00 0.00 H new ATOM 0 HG3 GLN A 122 12.991 -5.061 2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 122 15.511 -3.299 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 122 14.816 -1.809 1.253 1.00 0.00 H new