USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 381 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 67 GLN : amide:sc= 0.316 K(o=1.1,f=-2.1!) USER MOD Set 1.2: A 69 TYR OH : rot 161:sc= 0.831 USER MOD Set 2.1: A 51 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00703) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 3.1: A 49 CYS SG : rot 2:sc= 0.584 USER MOD Set 3.2: A 52 CYS SG : rot -53:sc= 0.138 USER MOD Set 3.3: A 70 CYS SG : rot -59:sc= 0.618 USER MOD Set 3.4: A 73 CYS SG : rot 162:sc= -0.161 USER MOD Set 4.1: A 18 CYS SG : rot 142:sc= 0.271 USER MOD Set 4.2: A 21 CYS SG : rot -59:sc= -0.183 USER MOD Set 4.3: A 43 HIS : no HE2:sc= -0.758 K(o=0.57,f=-1.2) USER MOD Set 4.4: A 45 TYR OH : rot 92:sc= 0.00915 USER MOD Set 4.5: A 46 CYS SG : rot 43:sc= 1.24 USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -0.453 (180deg=-0.739) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.000674 K(o=-0.00067,f=-0.72) USER MOD Single : A 41 SER OG : rot 180:sc= -0.208 USER MOD Single : A 48 HIS : no HE2:sc= -0.212 K(o=-0.21,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0138) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.0122 K(o=0.012,f=-0.71) USER MOD Single : A 58 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.31) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -7.13! C(o=-7.1!,f=-9!) USER MOD Single : A 65 GLN : amide:sc= -0.0549 K(o=-0.055,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N LYS A 17 -8.681 -1.953 -1.302 1.00 0.00 N ATOM 215 CA LYS A 17 -8.308 -2.687 -0.098 1.00 0.00 C ATOM 216 C LYS A 17 -6.799 -2.901 -0.037 1.00 0.00 C ATOM 217 O LYS A 17 -6.186 -3.349 -1.006 1.00 0.00 O ATOM 218 CB LYS A 17 -9.028 -4.037 -0.055 1.00 0.00 C ATOM 219 CG LYS A 17 -10.405 -3.972 0.583 1.00 0.00 C ATOM 220 CD LYS A 17 -11.478 -3.641 -0.441 1.00 0.00 C ATOM 221 CE LYS A 17 -12.832 -3.429 0.220 1.00 0.00 C ATOM 222 NZ LYS A 17 -12.821 -2.260 1.143 1.00 0.00 N ATOM 0 HA LYS A 17 -8.608 -2.095 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.125 -4.420 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.414 -4.749 0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.634 -4.927 1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.407 -3.218 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.195 -2.742 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.550 -4.449 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.591 -3.279 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.111 -4.326 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.799 -1.992 1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.315 -2.512 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.342 -1.459 0.683 1.00 0.00 H new ATOM 236 N CYS A 18 -6.207 -2.578 1.108 1.00 0.00 N ATOM 237 CA CYS A 18 -4.770 -2.736 1.296 1.00 0.00 C ATOM 238 C CYS A 18 -4.324 -4.147 0.924 1.00 0.00 C ATOM 239 O CYS A 18 -5.060 -5.114 1.119 1.00 0.00 O ATOM 240 CB CYS A 18 -4.388 -2.435 2.747 1.00 0.00 C ATOM 241 SG CYS A 18 -2.593 -2.320 3.036 1.00 0.00 S ATOM 0 H CYS A 18 -6.700 -2.205 1.919 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.263 -2.029 0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.854 -1.496 3.047 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.799 -3.214 3.389 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.352 -1.378 3.899 1.00 0.00 H new ATOM 246 N ALA A 19 -3.113 -4.257 0.387 1.00 0.00 N ATOM 247 CA ALA A 19 -2.568 -5.549 -0.011 1.00 0.00 C ATOM 248 C ALA A 19 -1.618 -6.094 1.051 1.00 0.00 C ATOM 249 O ALA A 19 -0.735 -6.898 0.754 1.00 0.00 O ATOM 250 CB ALA A 19 -1.855 -5.431 -1.350 1.00 0.00 C ATOM 0 H ALA A 19 -2.491 -3.467 0.218 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.397 -6.250 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.453 -6.403 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.560 -5.093 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.040 -4.712 -1.266 1.00 0.00 H new ATOM 256 N GLY A 20 -1.805 -5.650 2.290 1.00 0.00 N ATOM 257 CA GLY A 20 -0.956 -6.104 3.376 1.00 0.00 C ATOM 258 C GLY A 20 -1.752 -6.532 4.593 1.00 0.00 C ATOM 259 O GLY A 20 -1.463 -7.563 5.202 1.00 0.00 O ATOM 0 H GLY A 20 -2.529 -4.984 2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.347 -6.940 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.271 -5.304 3.657 1.00 0.00 H new ATOM 263 N CYS A 21 -2.755 -5.738 4.952 1.00 0.00 N ATOM 264 CA CYS A 21 -3.594 -6.039 6.105 1.00 0.00 C ATOM 265 C CYS A 21 -4.978 -6.509 5.665 1.00 0.00 C ATOM 266 O CYS A 21 -5.747 -7.045 6.462 1.00 0.00 O ATOM 267 CB CYS A 21 -3.724 -4.806 7.003 1.00 0.00 C ATOM 268 SG CYS A 21 -4.374 -3.332 6.152 1.00 0.00 S ATOM 0 H CYS A 21 -3.006 -4.880 4.460 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.119 -6.843 6.668 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.379 -5.047 7.841 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.746 -4.569 7.421 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.589 -3.020 5.164 1.00 0.00 H new ATOM 273 N LYS A 22 -5.287 -6.303 4.389 1.00 0.00 N ATOM 274 CA LYS A 22 -6.576 -6.706 3.840 1.00 0.00 C ATOM 275 C LYS A 22 -7.715 -5.938 4.503 1.00 0.00 C ATOM 276 O LYS A 22 -8.642 -6.533 5.050 1.00 0.00 O ATOM 277 CB LYS A 22 -6.786 -8.211 4.027 1.00 0.00 C ATOM 278 CG LYS A 22 -5.570 -9.044 3.661 1.00 0.00 C ATOM 279 CD LYS A 22 -5.230 -8.916 2.185 1.00 0.00 C ATOM 280 CE LYS A 22 -4.098 -9.853 1.791 1.00 0.00 C ATOM 281 NZ LYS A 22 -4.571 -11.255 1.624 1.00 0.00 N ATOM 0 H LYS A 22 -4.662 -5.859 3.716 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.576 -6.474 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.050 -8.406 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.632 -8.530 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.717 -8.727 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.758 -10.090 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.113 -9.139 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.946 -7.887 1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.649 -9.508 0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.318 -9.821 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.770 -11.862 1.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.977 -11.593 2.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.297 -11.290 0.880 1.00 0.00 H new ATOM 295 N ASN A 23 -7.638 -4.612 4.448 1.00 0.00 N ATOM 296 CA ASN A 23 -8.663 -3.762 5.043 1.00 0.00 C ATOM 297 C ASN A 23 -8.943 -2.549 4.161 1.00 0.00 C ATOM 298 O ASN A 23 -8.140 -2.172 3.307 1.00 0.00 O ATOM 299 CB ASN A 23 -8.229 -3.304 6.437 1.00 0.00 C ATOM 300 CG ASN A 23 -8.639 -4.283 7.521 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.814 -4.627 7.650 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.668 -4.736 8.306 1.00 0.00 N ATOM 0 H ASN A 23 -6.877 -4.103 3.998 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.579 -4.346 5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.146 -3.179 6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.666 -2.328 6.648 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.882 -5.397 9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.708 -4.423 8.162 1.00 0.00 H new ATOM 309 N PRO A 24 -10.109 -1.921 4.372 1.00 0.00 N ATOM 310 CA PRO A 24 -10.522 -0.740 3.607 1.00 0.00 C ATOM 311 C PRO A 24 -9.687 0.490 3.944 1.00 0.00 C ATOM 312 O PRO A 24 -9.444 0.785 5.114 1.00 0.00 O ATOM 313 CB PRO A 24 -11.977 -0.532 4.033 1.00 0.00 C ATOM 314 CG PRO A 24 -12.068 -1.152 5.385 1.00 0.00 C ATOM 315 CD PRO A 24 -11.115 -2.315 5.373 1.00 0.00 C ATOM 0 HA PRO A 24 -10.394 -0.884 2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.233 0.527 4.065 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.666 -1.005 3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.800 -0.436 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.085 -1.483 5.595 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.665 -2.476 6.353 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.616 -3.242 5.096 1.00 0.00 H new ATOM 323 N ILE A 25 -9.250 1.204 2.912 1.00 0.00 N ATOM 324 CA ILE A 25 -8.444 2.403 3.100 1.00 0.00 C ATOM 325 C ILE A 25 -9.319 3.651 3.161 1.00 0.00 C ATOM 326 O ILE A 25 -9.488 4.353 2.164 1.00 0.00 O ATOM 327 CB ILE A 25 -7.410 2.569 1.970 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.651 1.260 1.748 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.445 3.699 2.297 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.625 1.337 0.639 1.00 0.00 C ATOM 0 H ILE A 25 -9.441 0.973 1.937 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.919 2.284 4.048 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.936 2.822 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.152 0.977 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.365 0.470 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.721 3.804 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.000 4.630 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.922 3.473 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.126 0.373 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.121 1.589 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.888 2.104 0.878 1.00 0.00 H new ATOM 441 N VAL A 34 -0.654 7.619 2.358 1.00 0.00 N ATOM 442 CA VAL A 34 -0.889 6.288 1.811 1.00 0.00 C ATOM 443 C VAL A 34 -0.163 6.105 0.483 1.00 0.00 C ATOM 444 O VAL A 34 0.043 7.063 -0.262 1.00 0.00 O ATOM 445 CB VAL A 34 -2.392 6.025 1.603 1.00 0.00 C ATOM 446 CG1 VAL A 34 -2.947 6.927 0.511 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.635 4.560 1.270 1.00 0.00 C ATOM 0 HA VAL A 34 -0.500 5.573 2.536 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.915 6.255 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.010 6.726 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.807 7.970 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.422 6.732 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.702 4.392 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.100 4.301 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.277 3.936 2.089 1.00 0.00 H new ATOM 457 N VAL A 35 0.222 4.866 0.192 1.00 0.00 N ATOM 458 CA VAL A 35 0.924 4.555 -1.047 1.00 0.00 C ATOM 459 C VAL A 35 -0.012 3.908 -2.062 1.00 0.00 C ATOM 460 O VAL A 35 -0.925 3.169 -1.695 1.00 0.00 O ATOM 461 CB VAL A 35 2.119 3.616 -0.795 1.00 0.00 C ATOM 462 CG1 VAL A 35 2.949 3.456 -2.060 1.00 0.00 C ATOM 463 CG2 VAL A 35 2.973 4.136 0.351 1.00 0.00 C ATOM 0 H VAL A 35 0.059 4.062 0.798 1.00 0.00 H new ATOM 0 HA VAL A 35 1.292 5.500 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 35 1.735 2.635 -0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.788 2.789 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.329 3.034 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.325 4.430 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.812 3.460 0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.349 5.129 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.370 4.192 1.257 1.00 0.00 H new ATOM 473 N ALA A 36 0.222 4.191 -3.339 1.00 0.00 N ATOM 474 CA ALA A 36 -0.599 3.635 -4.407 1.00 0.00 C ATOM 475 C ALA A 36 0.267 3.025 -5.504 1.00 0.00 C ATOM 476 O ALA A 36 1.375 3.495 -5.767 1.00 0.00 O ATOM 477 CB ALA A 36 -1.509 4.707 -4.986 1.00 0.00 C ATOM 0 H ALA A 36 0.973 4.802 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.215 2.842 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.116 4.277 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.160 5.094 -4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.904 5.519 -5.389 1.00 0.00 H new ATOM 543 N SER A 41 -2.489 -0.650 -3.444 1.00 0.00 N ATOM 544 CA SER A 41 -2.233 0.428 -2.496 1.00 0.00 C ATOM 545 C SER A 41 -1.825 -0.131 -1.136 1.00 0.00 C ATOM 546 O SER A 41 -2.228 -1.231 -0.759 1.00 0.00 O ATOM 547 CB SER A 41 -3.473 1.310 -2.347 1.00 0.00 C ATOM 548 OG SER A 41 -3.492 2.333 -3.327 1.00 0.00 O ATOM 0 HA SER A 41 -1.412 1.032 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.371 0.699 -2.438 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.489 1.755 -1.352 1.00 0.00 H new ATOM 0 HG SER A 41 -4.295 2.882 -3.211 1.00 0.00 H new ATOM 554 N TRP A 42 -1.024 0.636 -0.405 1.00 0.00 N ATOM 555 CA TRP A 42 -0.561 0.218 0.913 1.00 0.00 C ATOM 556 C TRP A 42 -0.601 1.382 1.898 1.00 0.00 C ATOM 557 O TRP A 42 -0.348 2.529 1.528 1.00 0.00 O ATOM 558 CB TRP A 42 0.860 -0.341 0.824 1.00 0.00 C ATOM 559 CG TRP A 42 0.918 -1.724 0.250 1.00 0.00 C ATOM 560 CD1 TRP A 42 1.009 -2.897 0.944 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.893 -2.078 -1.138 1.00 0.00 C ATOM 562 NE1 TRP A 42 1.041 -3.958 0.072 1.00 0.00 N ATOM 563 CE2 TRP A 42 0.970 -3.483 -1.211 1.00 0.00 C ATOM 564 CE3 TRP A 42 0.809 -1.345 -2.325 1.00 0.00 C ATOM 565 CZ2 TRP A 42 0.968 -4.165 -2.424 1.00 0.00 C ATOM 566 CZ3 TRP A 42 0.808 -2.024 -3.528 1.00 0.00 C ATOM 567 CH2 TRP A 42 0.886 -3.423 -3.571 1.00 0.00 C ATOM 0 H TRP A 42 -0.682 1.550 -0.702 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.229 -0.564 1.274 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.467 0.325 0.211 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.303 -0.350 1.820 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.050 -2.978 2.020 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.107 -4.941 0.337 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.746 -0.267 -2.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.029 -5.243 -2.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.746 -1.467 -4.451 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.881 -3.925 -4.527 1.00 0.00 H new ATOM 578 N HIS A 43 -0.921 1.080 3.152 1.00 0.00 N ATOM 579 CA HIS A 43 -0.993 2.102 4.190 1.00 0.00 C ATOM 580 C HIS A 43 0.396 2.635 4.525 1.00 0.00 C ATOM 581 O HIS A 43 1.405 1.993 4.234 1.00 0.00 O ATOM 582 CB HIS A 43 -1.652 1.535 5.448 1.00 0.00 C ATOM 583 CG HIS A 43 -3.118 1.272 5.290 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.674 0.016 5.413 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.144 2.111 5.017 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.979 0.095 5.222 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.290 1.355 4.981 1.00 0.00 N ATOM 0 H HIS A 43 -1.135 0.136 3.474 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.597 2.927 3.812 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.152 0.606 5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.503 2.233 6.272 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -3.159 -0.840 5.619 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.075 3.177 4.857 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.674 -0.731 5.257 1.00 0.00 H new ATOM 595 N ASP A 44 0.441 3.813 5.138 1.00 0.00 N ATOM 596 CA ASP A 44 1.706 4.433 5.513 1.00 0.00 C ATOM 597 C ASP A 44 2.470 3.554 6.499 1.00 0.00 C ATOM 598 O ASP A 44 3.697 3.616 6.579 1.00 0.00 O ATOM 599 CB ASP A 44 1.462 5.813 6.125 1.00 0.00 C ATOM 600 CG ASP A 44 2.661 6.324 6.898 1.00 0.00 C ATOM 601 OD1 ASP A 44 2.744 6.050 8.114 1.00 0.00 O ATOM 602 OD2 ASP A 44 3.517 6.998 6.288 1.00 0.00 O ATOM 0 H ASP A 44 -0.385 4.358 5.386 1.00 0.00 H new ATOM 0 HA ASP A 44 2.308 4.546 4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.216 6.520 5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.599 5.765 6.789 1.00 0.00 H new ATOM 607 N TYR A 45 1.737 2.738 7.247 1.00 0.00 N ATOM 608 CA TYR A 45 2.345 1.849 8.230 1.00 0.00 C ATOM 609 C TYR A 45 2.520 0.444 7.660 1.00 0.00 C ATOM 610 O TYR A 45 3.317 -0.348 8.163 1.00 0.00 O ATOM 611 CB TYR A 45 1.490 1.794 9.497 1.00 0.00 C ATOM 612 CG TYR A 45 0.201 1.022 9.326 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.905 1.605 8.720 1.00 0.00 C ATOM 614 CD2 TYR A 45 0.090 -0.289 9.770 1.00 0.00 C ATOM 615 CE1 TYR A 45 -2.085 0.903 8.561 1.00 0.00 C ATOM 616 CE2 TYR A 45 -1.085 -0.999 9.615 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.170 -0.398 9.010 1.00 0.00 C ATOM 618 OH TYR A 45 -3.342 -1.101 8.854 1.00 0.00 O ATOM 0 H TYR A 45 0.721 2.673 7.192 1.00 0.00 H new ATOM 0 HA TYR A 45 3.329 2.245 8.480 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.072 1.339 10.298 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.255 2.811 9.811 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.842 2.624 8.367 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.937 -0.762 10.245 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.936 1.371 8.088 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.154 -2.018 9.965 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.316 -1.597 8.009 1.00 0.00 H new ATOM 628 N CYS A 46 1.768 0.143 6.607 1.00 0.00 N ATOM 629 CA CYS A 46 1.838 -1.165 5.966 1.00 0.00 C ATOM 630 C CYS A 46 2.980 -1.215 4.955 1.00 0.00 C ATOM 631 O CYS A 46 3.653 -2.236 4.812 1.00 0.00 O ATOM 632 CB CYS A 46 0.513 -1.488 5.272 1.00 0.00 C ATOM 633 SG CYS A 46 -0.790 -2.083 6.397 1.00 0.00 S ATOM 0 H CYS A 46 1.103 0.787 6.179 1.00 0.00 H new ATOM 0 HA CYS A 46 2.027 -1.911 6.738 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.156 -0.594 4.760 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.691 -2.244 4.507 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.795 -1.359 7.476 1.00 0.00 H new ATOM 638 N PHE A 47 3.192 -0.105 4.255 1.00 0.00 N ATOM 639 CA PHE A 47 4.252 -0.022 3.257 1.00 0.00 C ATOM 640 C PHE A 47 5.627 -0.093 3.915 1.00 0.00 C ATOM 641 O PHE A 47 6.146 0.911 4.403 1.00 0.00 O ATOM 642 CB PHE A 47 4.125 1.274 2.454 1.00 0.00 C ATOM 643 CG PHE A 47 4.649 1.164 1.051 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.191 0.169 0.202 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.599 2.056 0.580 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.672 0.065 -1.089 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.084 1.957 -0.711 1.00 0.00 C ATOM 648 CZ PHE A 47 5.619 0.961 -1.547 1.00 0.00 C ATOM 0 H PHE A 47 2.644 0.749 4.361 1.00 0.00 H new ATOM 0 HA PHE A 47 4.148 -0.872 2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.076 1.569 2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.663 2.068 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.450 -0.533 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.965 2.838 1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.308 -0.716 -1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.826 2.658 -1.065 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.995 0.883 -2.557 1.00 0.00 H new ATOM 658 N HIS A 48 6.210 -1.287 3.926 1.00 0.00 N ATOM 659 CA HIS A 48 7.525 -1.490 4.524 1.00 0.00 C ATOM 660 C HIS A 48 8.199 -2.731 3.947 1.00 0.00 C ATOM 661 O HIS A 48 7.529 -3.664 3.502 1.00 0.00 O ATOM 662 CB HIS A 48 7.403 -1.622 6.043 1.00 0.00 C ATOM 663 CG HIS A 48 6.411 -2.658 6.476 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.281 -2.358 7.206 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.385 -3.996 6.277 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.603 -3.468 7.439 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.252 -4.476 6.885 1.00 0.00 N ATOM 0 H HIS A 48 5.793 -2.129 3.528 1.00 0.00 H new ATOM 0 HA HIS A 48 8.141 -0.622 4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.380 -1.870 6.458 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.115 -0.658 6.461 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.010 -1.425 7.518 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.119 -4.578 5.740 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.676 -3.539 7.989 1.00 0.00 H new ATOM 675 N CYS A 49 9.528 -2.736 3.956 1.00 0.00 N ATOM 676 CA CYS A 49 10.293 -3.861 3.433 1.00 0.00 C ATOM 677 C CYS A 49 9.824 -5.174 4.054 1.00 0.00 C ATOM 678 O CYS A 49 9.343 -5.201 5.187 1.00 0.00 O ATOM 679 CB CYS A 49 11.785 -3.660 3.704 1.00 0.00 C ATOM 680 SG CYS A 49 12.868 -4.803 2.787 1.00 0.00 S ATOM 0 H CYS A 49 10.098 -1.972 4.320 1.00 0.00 H new ATOM 0 HA CYS A 49 10.129 -3.910 2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.055 -2.636 3.447 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.969 -3.780 4.772 1.00 0.00 H new ATOM 0 HG CYS A 49 12.146 -5.562 2.017 1.00 0.00 H new ATOM 685 N LYS A 50 9.969 -6.261 3.304 1.00 0.00 N ATOM 686 CA LYS A 50 9.563 -7.578 3.780 1.00 0.00 C ATOM 687 C LYS A 50 10.768 -8.377 4.265 1.00 0.00 C ATOM 688 O LYS A 50 10.741 -9.608 4.291 1.00 0.00 O ATOM 689 CB LYS A 50 8.843 -8.345 2.668 1.00 0.00 C ATOM 690 CG LYS A 50 7.806 -9.330 3.181 1.00 0.00 C ATOM 691 CD LYS A 50 6.643 -8.616 3.848 1.00 0.00 C ATOM 692 CE LYS A 50 5.463 -9.552 4.060 1.00 0.00 C ATOM 693 NZ LYS A 50 5.804 -10.677 4.975 1.00 0.00 N ATOM 0 H LYS A 50 10.365 -6.256 2.364 1.00 0.00 H new ATOM 0 HA LYS A 50 8.880 -7.439 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.356 -7.632 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.581 -8.884 2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.436 -9.935 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.271 -10.013 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.965 -8.211 4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.333 -7.771 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.624 -8.991 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.139 -9.951 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.949 -11.234 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.517 -11.286 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.185 -10.297 5.865 1.00 0.00 H new ATOM 707 N LYS A 51 11.824 -7.669 4.651 1.00 0.00 N ATOM 708 CA LYS A 51 13.039 -8.312 5.139 1.00 0.00 C ATOM 709 C LYS A 51 13.555 -7.617 6.395 1.00 0.00 C ATOM 710 O LYS A 51 13.692 -8.238 7.449 1.00 0.00 O ATOM 711 CB LYS A 51 14.119 -8.296 4.055 1.00 0.00 C ATOM 712 CG LYS A 51 15.062 -9.486 4.118 1.00 0.00 C ATOM 713 CD LYS A 51 15.807 -9.678 2.808 1.00 0.00 C ATOM 714 CE LYS A 51 16.192 -11.133 2.594 1.00 0.00 C ATOM 715 NZ LYS A 51 17.114 -11.625 3.654 1.00 0.00 N ATOM 0 H LYS A 51 11.863 -6.650 4.635 1.00 0.00 H new ATOM 0 HA LYS A 51 12.798 -9.345 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.639 -8.275 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.699 -7.378 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.778 -9.341 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.496 -10.388 4.351 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.183 -9.340 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.704 -9.059 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.292 -11.748 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.668 -11.243 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.639 -12.451 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.784 -10.871 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.564 -11.897 4.494 1.00 0.00 H new ATOM 729 N CYS A 52 13.839 -6.324 6.276 1.00 0.00 N ATOM 730 CA CYS A 52 14.339 -5.544 7.402 1.00 0.00 C ATOM 731 C CYS A 52 13.202 -4.794 8.091 1.00 0.00 C ATOM 732 O CYS A 52 13.367 -4.276 9.196 1.00 0.00 O ATOM 733 CB CYS A 52 15.405 -4.553 6.929 1.00 0.00 C ATOM 734 SG CYS A 52 14.804 -3.338 5.712 1.00 0.00 S ATOM 0 H CYS A 52 13.731 -5.794 5.411 1.00 0.00 H new ATOM 0 HA CYS A 52 14.785 -6.232 8.120 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.799 -4.020 7.794 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.234 -5.109 6.492 1.00 0.00 H new ATOM 0 HG CYS A 52 14.237 -3.960 4.722 1.00 0.00 H new ATOM 739 N SER A 53 12.050 -4.741 7.432 1.00 0.00 N ATOM 740 CA SER A 53 10.887 -4.052 7.979 1.00 0.00 C ATOM 741 C SER A 53 11.163 -2.560 8.134 1.00 0.00 C ATOM 742 O SER A 53 11.040 -2.004 9.225 1.00 0.00 O ATOM 743 CB SER A 53 10.501 -4.654 9.331 1.00 0.00 C ATOM 744 OG SER A 53 9.107 -4.537 9.563 1.00 0.00 O ATOM 0 H SER A 53 11.896 -5.167 6.518 1.00 0.00 H new ATOM 0 HA SER A 53 10.058 -4.180 7.282 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.791 -5.704 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.049 -4.149 10.127 1.00 0.00 H new ATOM 0 HG SER A 53 8.886 -4.931 10.433 1.00 0.00 H new ATOM 750 N VAL A 54 11.536 -1.916 7.032 1.00 0.00 N ATOM 751 CA VAL A 54 11.829 -0.487 7.044 1.00 0.00 C ATOM 752 C VAL A 54 10.683 0.313 6.435 1.00 0.00 C ATOM 753 O VAL A 54 10.065 -0.112 5.460 1.00 0.00 O ATOM 754 CB VAL A 54 13.125 -0.174 6.274 1.00 0.00 C ATOM 755 CG1 VAL A 54 12.956 -0.482 4.794 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.530 1.278 6.482 1.00 0.00 C ATOM 0 H VAL A 54 11.642 -2.361 6.120 1.00 0.00 H new ATOM 0 HA VAL A 54 11.956 -0.198 8.087 1.00 0.00 H new ATOM 0 HB VAL A 54 13.921 -0.809 6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.882 -0.254 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.716 -1.538 4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.148 0.125 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.448 1.482 5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.737 1.932 6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.696 1.461 7.544 1.00 0.00 H new ATOM 766 N ASN A 55 10.405 1.475 7.018 1.00 0.00 N ATOM 767 CA ASN A 55 9.333 2.336 6.532 1.00 0.00 C ATOM 768 C ASN A 55 9.703 2.962 5.191 1.00 0.00 C ATOM 769 O ASN A 55 10.552 3.851 5.121 1.00 0.00 O ATOM 770 CB ASN A 55 9.031 3.435 7.554 1.00 0.00 C ATOM 771 CG ASN A 55 7.837 4.281 7.157 1.00 0.00 C ATOM 772 OD1 ASN A 55 7.986 5.331 6.532 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.643 3.826 7.520 1.00 0.00 N ATOM 0 H ASN A 55 10.907 1.842 7.827 1.00 0.00 H new ATOM 0 HA ASN A 55 8.443 1.722 6.393 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.844 2.981 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.906 4.075 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.803 4.352 7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.567 2.950 8.037 1.00 0.00 H new ATOM 780 N LEU A 56 9.060 2.492 4.128 1.00 0.00 N ATOM 781 CA LEU A 56 9.320 3.005 2.787 1.00 0.00 C ATOM 782 C LEU A 56 8.142 3.834 2.284 1.00 0.00 C ATOM 783 O LEU A 56 7.949 3.987 1.078 1.00 0.00 O ATOM 784 CB LEU A 56 9.595 1.850 1.823 1.00 0.00 C ATOM 785 CG LEU A 56 10.826 0.997 2.131 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.739 -0.343 1.418 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.098 1.733 1.733 1.00 0.00 C ATOM 0 H LEU A 56 8.355 1.756 4.168 1.00 0.00 H new ATOM 0 HA LEU A 56 10.199 3.648 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.721 1.199 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.704 2.259 0.819 1.00 0.00 H new ATOM 0 HG LEU A 56 10.857 0.813 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.624 -0.936 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.848 -0.875 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.683 -0.180 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.964 1.111 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.075 1.948 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.167 2.668 2.290 1.00 0.00 H new ATOM 799 N ALA A 57 7.360 4.368 3.216 1.00 0.00 N ATOM 800 CA ALA A 57 6.204 5.185 2.866 1.00 0.00 C ATOM 801 C ALA A 57 6.625 6.427 2.089 1.00 0.00 C ATOM 802 O ALA A 57 7.370 7.265 2.596 1.00 0.00 O ATOM 803 CB ALA A 57 5.437 5.578 4.120 1.00 0.00 C ATOM 0 H ALA A 57 7.505 4.250 4.219 1.00 0.00 H new ATOM 0 HA ALA A 57 5.551 4.592 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.577 6.188 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.095 4.680 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.089 6.149 4.781 1.00 0.00 H new ATOM 809 N ASN A 58 6.143 6.540 0.856 1.00 0.00 N ATOM 810 CA ASN A 58 6.470 7.680 0.008 1.00 0.00 C ATOM 811 C ASN A 58 7.970 7.739 -0.269 1.00 0.00 C ATOM 812 O ASN A 58 8.523 8.808 -0.530 1.00 0.00 O ATOM 813 CB ASN A 58 6.011 8.982 0.669 1.00 0.00 C ATOM 814 CG ASN A 58 4.698 8.821 1.411 1.00 0.00 C ATOM 815 OD1 ASN A 58 4.614 9.089 2.610 1.00 0.00 O ATOM 816 ND2 ASN A 58 3.666 8.382 0.700 1.00 0.00 N ATOM 0 H ASN A 58 5.524 5.855 0.422 1.00 0.00 H new ATOM 0 HA ASN A 58 5.947 7.558 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.778 9.324 1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.903 9.755 -0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.757 8.254 1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.782 8.172 -0.291 1.00 0.00 H new ATOM 823 N LYS A 59 8.622 6.583 -0.211 1.00 0.00 N ATOM 824 CA LYS A 59 10.057 6.501 -0.457 1.00 0.00 C ATOM 825 C LYS A 59 10.355 5.579 -1.635 1.00 0.00 C ATOM 826 O LYS A 59 9.441 5.074 -2.287 1.00 0.00 O ATOM 827 CB LYS A 59 10.782 5.999 0.794 1.00 0.00 C ATOM 828 CG LYS A 59 10.752 6.983 1.950 1.00 0.00 C ATOM 829 CD LYS A 59 11.528 6.461 3.147 1.00 0.00 C ATOM 830 CE LYS A 59 11.084 7.135 4.437 1.00 0.00 C ATOM 831 NZ LYS A 59 11.473 8.572 4.474 1.00 0.00 N ATOM 0 H LYS A 59 8.179 5.690 0.004 1.00 0.00 H new ATOM 0 HA LYS A 59 10.416 7.501 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.329 5.061 1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.819 5.781 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.174 7.936 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.719 7.173 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.387 5.383 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.594 6.632 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.002 7.049 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.526 6.617 5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.153 8.995 5.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.507 8.654 4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.031 9.072 3.676 1.00 0.00 H new ATOM 845 N ARG A 60 11.639 5.361 -1.900 1.00 0.00 N ATOM 846 CA ARG A 60 12.056 4.499 -2.999 1.00 0.00 C ATOM 847 C ARG A 60 12.052 3.034 -2.573 1.00 0.00 C ATOM 848 O ARG A 60 12.490 2.695 -1.473 1.00 0.00 O ATOM 849 CB ARG A 60 13.452 4.896 -3.485 1.00 0.00 C ATOM 850 CG ARG A 60 13.667 4.666 -4.972 1.00 0.00 C ATOM 851 CD ARG A 60 14.153 3.252 -5.253 1.00 0.00 C ATOM 852 NE ARG A 60 13.748 2.787 -6.576 1.00 0.00 N ATOM 853 CZ ARG A 60 14.386 3.110 -7.696 1.00 0.00 C ATOM 854 NH1 ARG A 60 15.455 3.894 -7.651 1.00 0.00 N ATOM 855 NH2 ARG A 60 13.957 2.647 -8.863 1.00 0.00 N ATOM 0 H ARG A 60 12.408 5.769 -1.369 1.00 0.00 H new ATOM 0 HA ARG A 60 11.345 4.624 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.620 5.949 -3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.197 4.329 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.734 4.844 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.394 5.384 -5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.240 3.220 -5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.759 2.576 -4.495 1.00 0.00 H new ATOM 0 HE ARG A 60 12.930 2.181 -6.645 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.789 4.250 -6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.943 4.141 -8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.136 2.042 -8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.448 2.896 -9.722 1.00 0.00 H new ATOM 869 N PHE A 61 11.553 2.169 -3.450 1.00 0.00 N ATOM 870 CA PHE A 61 11.490 0.741 -3.164 1.00 0.00 C ATOM 871 C PHE A 61 11.735 -0.078 -4.428 1.00 0.00 C ATOM 872 O PHE A 61 12.023 0.471 -5.491 1.00 0.00 O ATOM 873 CB PHE A 61 10.130 0.379 -2.564 1.00 0.00 C ATOM 874 CG PHE A 61 8.967 0.897 -3.360 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.470 2.171 -3.137 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.370 0.110 -4.332 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.399 2.649 -3.868 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.299 0.583 -5.066 1.00 0.00 C ATOM 879 CZ PHE A 61 6.813 1.855 -4.834 1.00 0.00 C ATOM 0 H PHE A 61 11.186 2.432 -4.365 1.00 0.00 H new ATOM 0 HA PHE A 61 12.272 0.506 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.053 -0.706 -2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.072 0.776 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.925 2.797 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.746 -0.885 -4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.020 3.644 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.843 -0.041 -5.820 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.977 2.228 -5.407 1.00 0.00 H new ATOM 889 N VAL A 62 11.620 -1.397 -4.303 1.00 0.00 N ATOM 890 CA VAL A 62 11.828 -2.293 -5.435 1.00 0.00 C ATOM 891 C VAL A 62 10.883 -3.488 -5.370 1.00 0.00 C ATOM 892 O VAL A 62 11.056 -4.386 -4.545 1.00 0.00 O ATOM 893 CB VAL A 62 13.280 -2.803 -5.487 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.484 -3.714 -6.688 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.254 -1.634 -5.522 1.00 0.00 C ATOM 0 H VAL A 62 11.384 -1.868 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 62 11.620 -1.718 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 62 13.476 -3.383 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.516 -4.064 -6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.812 -4.569 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.271 -3.162 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.276 -2.013 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.061 -1.026 -6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.124 -1.025 -4.627 1.00 0.00 H new ATOM 905 N PHE A 63 9.884 -3.493 -6.246 1.00 0.00 N ATOM 906 CA PHE A 63 8.911 -4.578 -6.289 1.00 0.00 C ATOM 907 C PHE A 63 9.575 -5.889 -6.699 1.00 0.00 C ATOM 908 O PHE A 63 10.282 -5.951 -7.705 1.00 0.00 O ATOM 909 CB PHE A 63 7.780 -4.239 -7.263 1.00 0.00 C ATOM 910 CG PHE A 63 6.470 -4.882 -6.908 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.898 -4.679 -5.662 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.810 -5.690 -7.820 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.694 -5.271 -5.333 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.604 -6.283 -7.497 1.00 0.00 C ATOM 915 CZ PHE A 63 4.045 -6.073 -6.252 1.00 0.00 C ATOM 0 H PHE A 63 9.727 -2.758 -6.936 1.00 0.00 H new ATOM 0 HA PHE A 63 8.496 -4.700 -5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.649 -3.157 -7.292 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.069 -4.552 -8.266 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.399 -4.051 -4.940 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.243 -5.858 -8.795 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.260 -5.107 -4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.100 -6.910 -8.217 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.102 -6.535 -5.997 1.00 0.00 H new ATOM 925 N HIS A 64 9.342 -6.935 -5.912 1.00 0.00 N ATOM 926 CA HIS A 64 9.918 -8.245 -6.193 1.00 0.00 C ATOM 927 C HIS A 64 9.073 -9.354 -5.573 1.00 0.00 C ATOM 928 O HIS A 64 8.715 -9.289 -4.397 1.00 0.00 O ATOM 929 CB HIS A 64 11.350 -8.321 -5.662 1.00 0.00 C ATOM 930 CG HIS A 64 11.947 -9.692 -5.745 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.582 -10.303 -4.684 1.00 0.00 N ATOM 932 CD2 HIS A 64 12.003 -10.572 -6.772 1.00 0.00 C ATOM 933 CE1 HIS A 64 13.003 -11.498 -5.055 1.00 0.00 C ATOM 934 NE2 HIS A 64 12.665 -11.687 -6.318 1.00 0.00 N ATOM 0 H HIS A 64 8.759 -6.901 -5.076 1.00 0.00 H new ATOM 0 HA HIS A 64 9.932 -8.384 -7.274 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.975 -7.627 -6.224 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.362 -7.991 -4.623 1.00 0.00 H new ATOM 0 HD2 HIS A 64 11.602 -10.425 -7.764 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.534 -12.202 -4.431 1.00 0.00 H new ATOM 0 HE2 HIS A 64 12.863 -12.524 -6.866 1.00 0.00 H new ATOM 942 N GLN A 65 8.758 -10.369 -6.371 1.00 0.00 N ATOM 943 CA GLN A 65 7.954 -11.490 -5.900 1.00 0.00 C ATOM 944 C GLN A 65 6.666 -11.000 -5.246 1.00 0.00 C ATOM 945 O GLN A 65 6.328 -11.409 -4.136 1.00 0.00 O ATOM 946 CB GLN A 65 8.753 -12.337 -4.908 1.00 0.00 C ATOM 947 CG GLN A 65 9.916 -13.083 -5.543 1.00 0.00 C ATOM 948 CD GLN A 65 9.515 -14.447 -6.069 1.00 0.00 C ATOM 949 OE1 GLN A 65 8.350 -14.837 -5.994 1.00 0.00 O ATOM 950 NE2 GLN A 65 10.482 -15.181 -6.607 1.00 0.00 N ATOM 0 H GLN A 65 9.047 -10.438 -7.347 1.00 0.00 H new ATOM 0 HA GLN A 65 7.692 -12.103 -6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.135 -11.692 -4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.084 -13.057 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.322 -12.487 -6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.712 -13.201 -4.808 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.434 -14.818 -6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.272 -16.107 -6.979 1.00 0.00 H new ATOM 959 N GLU A 66 5.953 -10.120 -5.942 1.00 0.00 N ATOM 960 CA GLU A 66 4.703 -9.573 -5.428 1.00 0.00 C ATOM 961 C GLU A 66 4.904 -8.967 -4.042 1.00 0.00 C ATOM 962 O GLU A 66 3.978 -8.925 -3.232 1.00 0.00 O ATOM 963 CB GLU A 66 3.630 -10.663 -5.369 1.00 0.00 C ATOM 964 CG GLU A 66 3.304 -11.269 -6.724 1.00 0.00 C ATOM 965 CD GLU A 66 1.932 -11.913 -6.759 1.00 0.00 C ATOM 966 OE1 GLU A 66 1.835 -13.119 -6.449 1.00 0.00 O ATOM 967 OE2 GLU A 66 0.955 -11.212 -7.097 1.00 0.00 O ATOM 0 H GLU A 66 6.220 -9.771 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 66 4.374 -8.785 -6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.964 -11.454 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.720 -10.243 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.357 -10.493 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.058 -12.015 -6.975 1.00 0.00 H new ATOM 974 N GLN A 67 6.120 -8.500 -3.777 1.00 0.00 N ATOM 975 CA GLN A 67 6.443 -7.897 -2.489 1.00 0.00 C ATOM 976 C GLN A 67 7.225 -6.601 -2.676 1.00 0.00 C ATOM 977 O GLN A 67 7.534 -6.207 -3.800 1.00 0.00 O ATOM 978 CB GLN A 67 7.248 -8.875 -1.633 1.00 0.00 C ATOM 979 CG GLN A 67 6.386 -9.767 -0.754 1.00 0.00 C ATOM 980 CD GLN A 67 7.092 -11.047 -0.350 1.00 0.00 C ATOM 981 OE1 GLN A 67 8.068 -11.456 -0.980 1.00 0.00 O ATOM 982 NE2 GLN A 67 6.601 -11.686 0.704 1.00 0.00 N ATOM 0 H GLN A 67 6.897 -8.528 -4.437 1.00 0.00 H new ATOM 0 HA GLN A 67 5.508 -7.664 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.856 -9.501 -2.286 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.935 -8.312 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.097 -9.218 0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.467 -10.016 -1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.790 -11.310 1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.034 -12.553 1.022 1.00 0.00 H new ATOM 991 N VAL A 68 7.543 -5.943 -1.565 1.00 0.00 N ATOM 992 CA VAL A 68 8.291 -4.692 -1.606 1.00 0.00 C ATOM 993 C VAL A 68 9.614 -4.818 -0.859 1.00 0.00 C ATOM 994 O VAL A 68 9.658 -5.312 0.268 1.00 0.00 O ATOM 995 CB VAL A 68 7.479 -3.533 -0.998 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.245 -2.224 -1.116 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.119 -3.426 -1.670 1.00 0.00 C ATOM 0 H VAL A 68 7.294 -6.255 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 68 8.489 -4.476 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 68 7.321 -3.740 0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.655 -1.417 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.193 -2.308 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.436 -2.008 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.559 -2.602 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.253 -3.243 -2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.569 -4.356 -1.528 1.00 0.00 H new ATOM 1007 N TYR A 69 10.690 -4.367 -1.493 1.00 0.00 N ATOM 1008 CA TYR A 69 12.016 -4.431 -0.890 1.00 0.00 C ATOM 1009 C TYR A 69 12.812 -3.164 -1.188 1.00 0.00 C ATOM 1010 O TYR A 69 13.044 -2.821 -2.348 1.00 0.00 O ATOM 1011 CB TYR A 69 12.775 -5.656 -1.403 1.00 0.00 C ATOM 1012 CG TYR A 69 12.169 -6.970 -0.965 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.511 -7.544 0.253 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.254 -7.638 -1.770 1.00 0.00 C ATOM 1015 CE1 TYR A 69 11.960 -8.745 0.657 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.697 -8.839 -1.374 1.00 0.00 C ATOM 1017 CZ TYR A 69 11.054 -9.389 -0.160 1.00 0.00 C ATOM 1018 OH TYR A 69 10.502 -10.585 0.239 1.00 0.00 O ATOM 0 H TYR A 69 10.670 -3.953 -2.425 1.00 0.00 H new ATOM 0 HA TYR A 69 11.892 -4.515 0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.805 -5.624 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.806 -5.607 -1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.220 -7.043 0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.973 -7.211 -2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.237 -9.177 1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.986 -9.344 -2.011 1.00 0.00 H new ATOM 0 HH TYR A 69 9.684 -10.755 -0.274 1.00 0.00 H new ATOM 1028 N CYS A 70 13.229 -2.473 -0.133 1.00 0.00 N ATOM 1029 CA CYS A 70 14.000 -1.244 -0.278 1.00 0.00 C ATOM 1030 C CYS A 70 15.193 -1.457 -1.205 1.00 0.00 C ATOM 1031 O CYS A 70 15.649 -2.580 -1.423 1.00 0.00 O ATOM 1032 CB CYS A 70 14.482 -0.755 1.088 1.00 0.00 C ATOM 1033 SG CYS A 70 15.251 -2.050 2.113 1.00 0.00 S ATOM 0 H CYS A 70 13.046 -2.744 0.833 1.00 0.00 H new ATOM 0 HA CYS A 70 13.351 -0.487 -0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.201 0.051 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.636 -0.332 1.630 1.00 0.00 H new ATOM 0 HG CYS A 70 14.396 -3.009 2.314 1.00 0.00 H new ATOM 1038 N PRO A 71 15.713 -0.354 -1.764 1.00 0.00 N ATOM 1039 CA PRO A 71 16.860 -0.393 -2.675 1.00 0.00 C ATOM 1040 C PRO A 71 18.004 -1.241 -2.131 1.00 0.00 C ATOM 1041 O PRO A 71 18.677 -1.948 -2.881 1.00 0.00 O ATOM 1042 CB PRO A 71 17.284 1.074 -2.776 1.00 0.00 C ATOM 1043 CG PRO A 71 16.044 1.847 -2.484 1.00 0.00 C ATOM 1044 CD PRO A 71 15.220 1.017 -1.548 1.00 0.00 C ATOM 0 HA PRO A 71 16.603 -0.844 -3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.074 1.308 -2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.672 1.307 -3.768 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.287 2.810 -2.034 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.494 2.054 -3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.353 1.331 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.156 1.099 -1.772 1.00 0.00 H new ATOM 1052 N ASP A 72 18.218 -1.167 -0.822 1.00 0.00 N ATOM 1053 CA ASP A 72 19.281 -1.930 -0.176 1.00 0.00 C ATOM 1054 C ASP A 72 19.002 -3.427 -0.260 1.00 0.00 C ATOM 1055 O ASP A 72 19.719 -4.167 -0.935 1.00 0.00 O ATOM 1056 CB ASP A 72 19.426 -1.506 1.286 1.00 0.00 C ATOM 1057 CG ASP A 72 20.754 -1.929 1.882 1.00 0.00 C ATOM 1058 OD1 ASP A 72 21.735 -1.170 1.744 1.00 0.00 O ATOM 1059 OD2 ASP A 72 20.812 -3.021 2.487 1.00 0.00 O ATOM 0 H ASP A 72 17.670 -0.587 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 72 20.214 -1.723 -0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.327 -0.423 1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.614 -1.940 1.870 1.00 0.00 H new ATOM 1064 N CYS A 73 17.956 -3.869 0.431 1.00 0.00 N ATOM 1065 CA CYS A 73 17.583 -5.278 0.438 1.00 0.00 C ATOM 1066 C CYS A 73 17.456 -5.814 -0.986 1.00 0.00 C ATOM 1067 O CYS A 73 17.828 -6.952 -1.267 1.00 0.00 O ATOM 1068 CB CYS A 73 16.264 -5.474 1.187 1.00 0.00 C ATOM 1069 SG CYS A 73 16.439 -5.527 3.000 1.00 0.00 S ATOM 0 H CYS A 73 17.351 -3.270 0.994 1.00 0.00 H new ATOM 0 HA CYS A 73 18.369 -5.834 0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.584 -4.664 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.802 -6.402 0.850 1.00 0.00 H new ATOM 0 HG CYS A 73 15.282 -5.318 3.554 1.00 0.00 H new ATOM 1074 N ALA A 74 16.929 -4.983 -1.880 1.00 0.00 N ATOM 1075 CA ALA A 74 16.756 -5.372 -3.274 1.00 0.00 C ATOM 1076 C ALA A 74 18.065 -5.878 -3.870 1.00 0.00 C ATOM 1077 O ALA A 74 18.067 -6.742 -4.746 1.00 0.00 O ATOM 1078 CB ALA A 74 16.222 -4.201 -4.085 1.00 0.00 C ATOM 0 H ALA A 74 16.615 -4.037 -1.664 1.00 0.00 H new ATOM 0 HA ALA A 74 16.032 -6.186 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.097 -4.505 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.260 -3.887 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.926 -3.370 -4.032 1.00 0.00 H new ATOM 1084 N LYS A 75 19.178 -5.333 -3.389 1.00 0.00 N ATOM 1085 CA LYS A 75 20.495 -5.729 -3.874 1.00 0.00 C ATOM 1086 C LYS A 75 20.795 -7.179 -3.509 1.00 0.00 C ATOM 1087 O LYS A 75 21.507 -7.878 -4.231 1.00 0.00 O ATOM 1088 CB LYS A 75 21.572 -4.811 -3.291 1.00 0.00 C ATOM 1089 CG LYS A 75 21.291 -3.334 -3.500 1.00 0.00 C ATOM 1090 CD LYS A 75 22.576 -2.534 -3.632 1.00 0.00 C ATOM 1091 CE LYS A 75 23.382 -2.559 -2.342 1.00 0.00 C ATOM 1092 NZ LYS A 75 24.419 -1.491 -2.315 1.00 0.00 N ATOM 0 H LYS A 75 19.194 -4.616 -2.664 1.00 0.00 H new ATOM 0 HA LYS A 75 20.498 -5.638 -4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.665 -5.007 -2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.532 -5.057 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.685 -3.201 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.708 -2.952 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.177 -2.940 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.339 -1.503 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.711 -2.435 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.860 -3.532 -2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.946 -1.542 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 25.075 -1.624 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.961 -0.561 -2.395 1.00 0.00 H new ATOM 1106 N LYS A 76 20.248 -7.627 -2.384 1.00 0.00 N ATOM 1107 CA LYS A 76 20.455 -8.995 -1.923 1.00 0.00 C ATOM 1108 C LYS A 76 19.760 -9.990 -2.847 1.00 0.00 C ATOM 1109 O LYS A 76 20.184 -11.141 -2.967 1.00 0.00 O ATOM 1110 CB LYS A 76 19.933 -9.158 -0.494 1.00 0.00 C ATOM 1111 CG LYS A 76 20.469 -8.116 0.472 1.00 0.00 C ATOM 1112 CD LYS A 76 20.054 -8.416 1.903 1.00 0.00 C ATOM 1113 CE LYS A 76 20.934 -9.490 2.525 1.00 0.00 C ATOM 1114 NZ LYS A 76 20.406 -9.945 3.841 1.00 0.00 N ATOM 0 H LYS A 76 19.657 -7.062 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 76 21.526 -9.199 -1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.844 -9.105 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.200 -10.150 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.557 -8.084 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.103 -7.130 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.114 -7.505 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.014 -8.741 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.003 -10.341 1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.945 -9.102 2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.196 -10.246 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.897 -9.163 4.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.756 -10.744 3.697 1.00 0.00 H new ATOM 1128 N LEU A 77 18.693 -9.541 -3.498 1.00 0.00 N ATOM 1129 CA LEU A 77 17.940 -10.393 -4.412 1.00 0.00 C ATOM 1130 C LEU A 77 18.812 -10.843 -5.580 1.00 0.00 C ATOM 1131 O LEU A 77 19.063 -10.079 -6.511 1.00 0.00 O ATOM 1132 CB LEU A 77 16.710 -9.649 -4.937 1.00 0.00 C ATOM 1133 CG LEU A 77 15.833 -8.976 -3.881 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.770 -8.112 -4.543 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.189 -10.018 -2.979 1.00 0.00 C ATOM 0 H LEU A 77 18.330 -8.592 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 77 17.616 -11.277 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 77 17.044 -8.888 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.095 -10.354 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 77 16.465 -8.334 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.155 -7.641 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 77 15.251 -7.342 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.142 -8.733 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.569 -9.520 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.571 -10.686 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.966 -10.595 -2.478 1.00 0.00 H new