USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=15 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 49 CYS SG : rot 2:sc= 0.601 USER MOD Set 1.2: A 52 CYS SG : rot -56:sc= 0.394 USER MOD Set 1.3: A 70 CYS SG : rot -60:sc= 0.61 USER MOD Set 1.4: A 73 CYS SG : rot 162:sc= -0.152 USER MOD Set 1.5: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 CYS SG : rot -167:sc= -0.243 USER MOD Set 2.2: A 21 CYS SG : rot -103:sc= 0.299 USER MOD Set 2.3: A 23 ASN : amide:sc= -1.14 K(o=0.52,f=-0.82) USER MOD Set 2.4: A 43 HIS : no HD1:sc= -0.478 K(o=0.52,f=-1.1) USER MOD Set 2.5: A 45 TYR OH : rot 95:sc= 0.114 USER MOD Set 2.6: A 46 CYS SG : rot 53:sc= 1.96 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.0281 (180deg=-0.24) USER MOD Single : A 41 SER OG : rot -27:sc= 0.148 USER MOD Single : A 48 HIS : no HE2:sc= -0.338 K(o=-0.34,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0316) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.088) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.015) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.84) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 144:sc= -0.158 (180deg=-0.982) USER MOD ----------------------------------------------------------------- ATOM 214 N LYS A 17 -8.901 -2.162 -1.077 1.00 0.00 N ATOM 215 CA LYS A 17 -8.447 -2.950 0.063 1.00 0.00 C ATOM 216 C LYS A 17 -6.929 -3.096 0.053 1.00 0.00 C ATOM 217 O LYS A 17 -6.340 -3.497 -0.952 1.00 0.00 O ATOM 218 CB LYS A 17 -9.103 -4.332 0.049 1.00 0.00 C ATOM 219 CG LYS A 17 -10.512 -4.343 0.617 1.00 0.00 C ATOM 220 CD LYS A 17 -11.552 -4.118 -0.467 1.00 0.00 C ATOM 221 CE LYS A 17 -11.800 -5.384 -1.273 1.00 0.00 C ATOM 222 NZ LYS A 17 -12.714 -6.322 -0.564 1.00 0.00 N ATOM 0 HA LYS A 17 -8.738 -2.426 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.131 -4.701 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.485 -5.024 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.699 -5.297 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.605 -3.568 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.486 -3.785 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.219 -3.321 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.228 -5.121 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.850 -5.881 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.858 -7.172 -1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.294 -6.593 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.629 -5.856 -0.399 1.00 0.00 H new ATOM 236 N CYS A 18 -6.299 -2.770 1.177 1.00 0.00 N ATOM 237 CA CYS A 18 -4.850 -2.866 1.298 1.00 0.00 C ATOM 238 C CYS A 18 -4.363 -4.261 0.918 1.00 0.00 C ATOM 239 O CYS A 18 -5.096 -5.242 1.047 1.00 0.00 O ATOM 240 CB CYS A 18 -4.413 -2.532 2.726 1.00 0.00 C ATOM 241 SG CYS A 18 -2.618 -2.287 2.916 1.00 0.00 S ATOM 0 H CYS A 18 -6.771 -2.437 2.018 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.405 -2.146 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.929 -1.628 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.731 -3.336 3.389 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.314 -2.271 4.180 1.00 0.00 H new ATOM 246 N ALA A 19 -3.122 -4.343 0.450 1.00 0.00 N ATOM 247 CA ALA A 19 -2.537 -5.617 0.054 1.00 0.00 C ATOM 248 C ALA A 19 -1.553 -6.120 1.106 1.00 0.00 C ATOM 249 O ALA A 19 -0.664 -6.916 0.808 1.00 0.00 O ATOM 250 CB ALA A 19 -1.847 -5.485 -1.296 1.00 0.00 C ATOM 0 H ALA A 19 -2.502 -3.541 0.336 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.342 -6.347 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.415 -6.445 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.574 -5.179 -2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.057 -4.737 -1.229 1.00 0.00 H new ATOM 256 N GLY A 20 -1.720 -5.649 2.338 1.00 0.00 N ATOM 257 CA GLY A 20 -0.838 -6.062 3.415 1.00 0.00 C ATOM 258 C GLY A 20 -1.599 -6.497 4.652 1.00 0.00 C ATOM 259 O GLY A 20 -1.262 -7.504 5.275 1.00 0.00 O ATOM 0 H GLY A 20 -2.449 -4.990 2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.209 -6.883 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.173 -5.238 3.672 1.00 0.00 H new ATOM 263 N CYS A 21 -2.627 -5.736 5.011 1.00 0.00 N ATOM 264 CA CYS A 21 -3.437 -6.046 6.183 1.00 0.00 C ATOM 265 C CYS A 21 -4.824 -6.532 5.772 1.00 0.00 C ATOM 266 O CYS A 21 -5.570 -7.076 6.587 1.00 0.00 O ATOM 267 CB CYS A 21 -3.561 -4.814 7.082 1.00 0.00 C ATOM 268 SG CYS A 21 -4.187 -3.331 6.230 1.00 0.00 S ATOM 0 H CYS A 21 -2.919 -4.899 4.506 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.942 -6.843 6.737 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.225 -5.050 7.913 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.584 -4.589 7.509 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.201 -2.518 5.993 1.00 0.00 H new ATOM 273 N LYS A 22 -5.163 -6.332 4.503 1.00 0.00 N ATOM 274 CA LYS A 22 -6.459 -6.751 3.983 1.00 0.00 C ATOM 275 C LYS A 22 -7.591 -5.989 4.664 1.00 0.00 C ATOM 276 O LYS A 22 -8.597 -6.577 5.061 1.00 0.00 O ATOM 277 CB LYS A 22 -6.650 -8.256 4.183 1.00 0.00 C ATOM 278 CG LYS A 22 -5.440 -9.081 3.782 1.00 0.00 C ATOM 279 CD LYS A 22 -5.173 -8.991 2.288 1.00 0.00 C ATOM 280 CE LYS A 22 -6.196 -9.786 1.491 1.00 0.00 C ATOM 281 NZ LYS A 22 -6.039 -11.253 1.693 1.00 0.00 N ATOM 0 H LYS A 22 -4.558 -5.882 3.816 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.484 -6.527 2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.879 -8.449 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.512 -8.585 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.564 -8.734 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.600 -10.122 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.198 -7.947 1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.172 -9.365 2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.201 -9.484 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.092 -9.552 0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.554 -11.763 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.030 -11.503 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.422 -11.518 2.623 1.00 0.00 H new ATOM 295 N ASN A 23 -7.421 -4.677 4.796 1.00 0.00 N ATOM 296 CA ASN A 23 -8.430 -3.835 5.428 1.00 0.00 C ATOM 297 C ASN A 23 -8.855 -2.704 4.498 1.00 0.00 C ATOM 298 O ASN A 23 -8.106 -2.271 3.622 1.00 0.00 O ATOM 299 CB ASN A 23 -7.892 -3.257 6.739 1.00 0.00 C ATOM 300 CG ASN A 23 -7.380 -4.332 7.678 1.00 0.00 C ATOM 301 OD1 ASN A 23 -6.325 -4.183 8.294 1.00 0.00 O ATOM 302 ND2 ASN A 23 -8.127 -5.424 7.791 1.00 0.00 N ATOM 0 H ASN A 23 -6.594 -4.174 4.474 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.302 -4.453 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.087 -2.556 6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.681 -2.691 7.234 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.833 -6.182 8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.995 -5.505 7.261 1.00 0.00 H new ATOM 309 N PRO A 24 -10.088 -2.212 4.690 1.00 0.00 N ATOM 310 CA PRO A 24 -10.642 -1.124 3.879 1.00 0.00 C ATOM 311 C PRO A 24 -9.960 0.211 4.156 1.00 0.00 C ATOM 312 O PRO A 24 -9.779 0.598 5.311 1.00 0.00 O ATOM 313 CB PRO A 24 -12.111 -1.073 4.307 1.00 0.00 C ATOM 314 CG PRO A 24 -12.123 -1.640 5.685 1.00 0.00 C ATOM 315 CD PRO A 24 -11.037 -2.680 5.715 1.00 0.00 C ATOM 0 HA PRO A 24 -10.501 -1.299 2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.492 -0.052 4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.740 -1.655 3.634 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.940 -0.864 6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.092 -2.081 5.917 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.569 -2.744 6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.424 -3.672 5.481 1.00 0.00 H new ATOM 323 N ILE A 25 -9.584 0.911 3.091 1.00 0.00 N ATOM 324 CA ILE A 25 -8.923 2.204 3.222 1.00 0.00 C ATOM 325 C ILE A 25 -9.929 3.347 3.132 1.00 0.00 C ATOM 326 O ILE A 25 -10.024 4.028 2.110 1.00 0.00 O ATOM 327 CB ILE A 25 -7.846 2.397 2.138 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.938 1.168 2.066 1.00 0.00 C ATOM 329 CG2 ILE A 25 -7.030 3.650 2.421 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.894 1.251 0.975 1.00 0.00 C ATOM 0 H ILE A 25 -9.726 0.605 2.128 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.447 2.218 4.203 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.339 2.518 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.439 1.038 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.552 0.282 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.273 3.774 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.688 4.519 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.544 3.556 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.287 0.346 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.386 1.349 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.256 2.118 1.147 1.00 0.00 H new ATOM 441 N VAL A 34 -1.335 7.475 2.619 1.00 0.00 N ATOM 442 CA VAL A 34 -1.427 6.180 1.957 1.00 0.00 C ATOM 443 C VAL A 34 -0.600 6.158 0.676 1.00 0.00 C ATOM 444 O VAL A 34 -0.474 7.171 -0.011 1.00 0.00 O ATOM 445 CB VAL A 34 -2.887 5.824 1.619 1.00 0.00 C ATOM 446 CG1 VAL A 34 -3.467 6.828 0.635 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.975 4.410 1.065 1.00 0.00 C ATOM 0 HA VAL A 34 -1.033 5.440 2.654 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.476 5.868 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.499 6.560 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.439 7.825 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.879 6.819 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.013 4.175 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.374 4.336 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.601 3.705 1.807 1.00 0.00 H new ATOM 457 N VAL A 35 -0.039 4.995 0.360 1.00 0.00 N ATOM 458 CA VAL A 35 0.775 4.840 -0.840 1.00 0.00 C ATOM 459 C VAL A 35 0.020 4.074 -1.921 1.00 0.00 C ATOM 460 O VAL A 35 -0.821 3.227 -1.623 1.00 0.00 O ATOM 461 CB VAL A 35 2.094 4.106 -0.533 1.00 0.00 C ATOM 462 CG1 VAL A 35 3.009 4.121 -1.747 1.00 0.00 C ATOM 463 CG2 VAL A 35 2.782 4.730 0.672 1.00 0.00 C ATOM 0 H VAL A 35 -0.133 4.147 0.918 1.00 0.00 H new ATOM 0 HA VAL A 35 1.002 5.843 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 35 1.865 3.067 -0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.936 3.598 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.514 3.624 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.234 5.152 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.712 4.199 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.000 5.778 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.128 4.661 1.541 1.00 0.00 H new ATOM 473 N ALA A 36 0.328 4.378 -3.178 1.00 0.00 N ATOM 474 CA ALA A 36 -0.320 3.717 -4.304 1.00 0.00 C ATOM 475 C ALA A 36 0.685 3.399 -5.405 1.00 0.00 C ATOM 476 O ALA A 36 1.571 4.201 -5.702 1.00 0.00 O ATOM 477 CB ALA A 36 -1.446 4.583 -4.848 1.00 0.00 C ATOM 0 H ALA A 36 1.022 5.078 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.740 2.776 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.921 4.077 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.184 4.755 -4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.041 5.539 -5.182 1.00 0.00 H new ATOM 543 N SER A 41 -2.651 -0.313 -3.363 1.00 0.00 N ATOM 544 CA SER A 41 -2.426 0.688 -2.327 1.00 0.00 C ATOM 545 C SER A 41 -1.827 0.050 -1.077 1.00 0.00 C ATOM 546 O SER A 41 -1.940 -1.158 -0.869 1.00 0.00 O ATOM 547 CB SER A 41 -3.737 1.393 -1.976 1.00 0.00 C ATOM 548 OG SER A 41 -4.771 0.455 -1.732 1.00 0.00 O ATOM 0 HA SER A 41 -1.719 1.423 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.593 2.018 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.027 2.055 -2.792 1.00 0.00 H new ATOM 0 HG SER A 41 -4.590 -0.369 -2.231 1.00 0.00 H new ATOM 554 N TRP A 42 -1.191 0.870 -0.249 1.00 0.00 N ATOM 555 CA TRP A 42 -0.575 0.387 0.982 1.00 0.00 C ATOM 556 C TRP A 42 -0.502 1.495 2.026 1.00 0.00 C ATOM 557 O TRP A 42 0.037 2.572 1.767 1.00 0.00 O ATOM 558 CB TRP A 42 0.828 -0.153 0.696 1.00 0.00 C ATOM 559 CG TRP A 42 0.822 -1.466 -0.028 1.00 0.00 C ATOM 560 CD1 TRP A 42 0.668 -2.705 0.524 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.980 -1.668 -1.437 1.00 0.00 C ATOM 562 NE1 TRP A 42 0.720 -3.666 -0.457 1.00 0.00 N ATOM 563 CE2 TRP A 42 0.910 -3.056 -1.669 1.00 0.00 C ATOM 564 CE3 TRP A 42 1.172 -0.812 -2.525 1.00 0.00 C ATOM 565 CZ2 TRP A 42 1.027 -3.604 -2.943 1.00 0.00 C ATOM 566 CZ3 TRP A 42 1.287 -1.358 -3.789 1.00 0.00 C ATOM 567 CH2 TRP A 42 1.214 -2.743 -3.990 1.00 0.00 C ATOM 0 H TRP A 42 -1.088 1.872 -0.407 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.194 -0.418 1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.377 0.578 0.103 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.365 -0.268 1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.526 -2.901 1.577 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.631 -4.671 -0.307 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.229 0.257 -2.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.972 -4.671 -3.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.436 -0.706 -4.637 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.307 -3.138 -4.991 1.00 0.00 H new ATOM 578 N HIS A 43 -1.049 1.226 3.208 1.00 0.00 N ATOM 579 CA HIS A 43 -1.045 2.202 4.292 1.00 0.00 C ATOM 580 C HIS A 43 0.372 2.684 4.584 1.00 0.00 C ATOM 581 O HIS A 43 1.347 1.999 4.275 1.00 0.00 O ATOM 582 CB HIS A 43 -1.661 1.595 5.554 1.00 0.00 C ATOM 583 CG HIS A 43 -3.126 1.312 5.429 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.649 0.036 5.437 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.181 2.149 5.294 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.962 0.100 5.311 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.311 1.371 5.223 1.00 0.00 N ATOM 0 H HIS A 43 -1.500 0.341 3.439 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.643 3.058 3.980 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.139 0.668 5.793 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.501 2.276 6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.142 3.227 5.250 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.636 -0.743 5.284 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.264 1.718 5.119 1.00 0.00 H new ATOM 595 N ASP A 44 0.479 3.866 5.180 1.00 0.00 N ATOM 596 CA ASP A 44 1.777 4.440 5.514 1.00 0.00 C ATOM 597 C ASP A 44 2.557 3.515 6.443 1.00 0.00 C ATOM 598 O ASP A 44 3.788 3.499 6.428 1.00 0.00 O ATOM 599 CB ASP A 44 1.599 5.811 6.169 1.00 0.00 C ATOM 600 CG ASP A 44 2.860 6.288 6.863 1.00 0.00 C ATOM 601 OD1 ASP A 44 3.121 5.834 7.996 1.00 0.00 O ATOM 602 OD2 ASP A 44 3.584 7.118 6.273 1.00 0.00 O ATOM 0 H ASP A 44 -0.318 4.446 5.442 1.00 0.00 H new ATOM 0 HA ASP A 44 2.343 4.559 4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.308 6.538 5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.785 5.762 6.893 1.00 0.00 H new ATOM 607 N TYR A 45 1.833 2.749 7.250 1.00 0.00 N ATOM 608 CA TYR A 45 2.457 1.824 8.189 1.00 0.00 C ATOM 609 C TYR A 45 2.612 0.439 7.568 1.00 0.00 C ATOM 610 O TYR A 45 3.438 -0.362 8.006 1.00 0.00 O ATOM 611 CB TYR A 45 1.629 1.730 9.472 1.00 0.00 C ATOM 612 CG TYR A 45 0.350 0.940 9.310 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.795 1.532 8.790 1.00 0.00 C ATOM 614 CD2 TYR A 45 0.285 -0.398 9.677 1.00 0.00 C ATOM 615 CE1 TYR A 45 -1.966 0.815 8.642 1.00 0.00 C ATOM 616 CE2 TYR A 45 -0.881 -1.124 9.531 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.004 -0.513 9.013 1.00 0.00 C ATOM 618 OH TYR A 45 -3.168 -1.232 8.866 1.00 0.00 O ATOM 0 H TYR A 45 0.813 2.750 7.273 1.00 0.00 H new ATOM 0 HA TYR A 45 3.448 2.207 8.432 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.235 1.269 10.252 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.384 2.737 9.811 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.768 2.571 8.497 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.162 -0.879 10.084 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.847 1.291 8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.913 -2.164 9.821 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.147 -1.718 8.015 1.00 0.00 H new ATOM 628 N CYS A 46 1.812 0.165 6.543 1.00 0.00 N ATOM 629 CA CYS A 46 1.858 -1.122 5.859 1.00 0.00 C ATOM 630 C CYS A 46 2.986 -1.152 4.832 1.00 0.00 C ATOM 631 O CYS A 46 3.634 -2.180 4.635 1.00 0.00 O ATOM 632 CB CYS A 46 0.521 -1.407 5.173 1.00 0.00 C ATOM 633 SG CYS A 46 -0.749 -2.103 6.278 1.00 0.00 S ATOM 0 H CYS A 46 1.124 0.817 6.168 1.00 0.00 H new ATOM 0 HA CYS A 46 2.048 -1.895 6.604 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.142 -0.481 4.740 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.689 -2.100 4.348 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.875 -1.345 7.327 1.00 0.00 H new ATOM 638 N PHE A 47 3.216 -0.017 4.180 1.00 0.00 N ATOM 639 CA PHE A 47 4.265 0.087 3.173 1.00 0.00 C ATOM 640 C PHE A 47 5.646 0.025 3.818 1.00 0.00 C ATOM 641 O PHE A 47 6.179 1.038 4.271 1.00 0.00 O ATOM 642 CB PHE A 47 4.116 1.390 2.385 1.00 0.00 C ATOM 643 CG PHE A 47 4.612 1.295 0.970 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.139 0.306 0.122 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.550 2.193 0.488 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.593 0.215 -1.181 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.007 2.108 -0.814 1.00 0.00 C ATOM 648 CZ PHE A 47 5.528 1.117 -1.649 1.00 0.00 C ATOM 0 H PHE A 47 2.690 0.844 4.331 1.00 0.00 H new ATOM 0 HA PHE A 47 4.164 -0.757 2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.066 1.681 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.661 2.181 2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.407 -0.402 0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.929 2.969 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.217 -0.560 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.737 2.815 -1.178 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.884 1.048 -2.666 1.00 0.00 H new ATOM 658 N HIS A 48 6.221 -1.173 3.856 1.00 0.00 N ATOM 659 CA HIS A 48 7.541 -1.370 4.446 1.00 0.00 C ATOM 660 C HIS A 48 8.217 -2.608 3.864 1.00 0.00 C ATOM 661 O HIS A 48 7.553 -3.501 3.338 1.00 0.00 O ATOM 662 CB HIS A 48 7.430 -1.501 5.965 1.00 0.00 C ATOM 663 CG HIS A 48 6.475 -2.568 6.405 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.416 -2.326 7.254 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.423 -3.887 6.108 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.754 -3.451 7.462 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.345 -4.413 6.777 1.00 0.00 N ATOM 0 H HIS A 48 5.794 -2.022 3.485 1.00 0.00 H new ATOM 0 HA HIS A 48 8.152 -0.499 4.208 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.416 -1.715 6.376 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.112 -0.545 6.382 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.180 -1.420 7.659 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.103 -4.426 5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.879 -3.564 8.085 1.00 0.00 H new ATOM 675 N CYS A 49 9.541 -2.653 3.961 1.00 0.00 N ATOM 676 CA CYS A 49 10.308 -3.780 3.444 1.00 0.00 C ATOM 677 C CYS A 49 9.846 -5.089 4.077 1.00 0.00 C ATOM 678 O CYS A 49 9.346 -5.105 5.201 1.00 0.00 O ATOM 679 CB CYS A 49 11.801 -3.572 3.708 1.00 0.00 C ATOM 680 SG CYS A 49 12.884 -4.725 2.804 1.00 0.00 S ATOM 0 H CYS A 49 10.106 -1.922 4.393 1.00 0.00 H new ATOM 0 HA CYS A 49 10.141 -3.838 2.369 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.068 -2.551 3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.988 -3.677 4.777 1.00 0.00 H new ATOM 0 HG CYS A 49 12.161 -5.499 2.050 1.00 0.00 H new ATOM 685 N LYS A 50 10.016 -6.185 3.346 1.00 0.00 N ATOM 686 CA LYS A 50 9.619 -7.500 3.834 1.00 0.00 C ATOM 687 C LYS A 50 10.828 -8.283 4.336 1.00 0.00 C ATOM 688 O LYS A 50 10.815 -9.514 4.366 1.00 0.00 O ATOM 689 CB LYS A 50 8.912 -8.286 2.727 1.00 0.00 C ATOM 690 CG LYS A 50 7.953 -9.343 3.248 1.00 0.00 C ATOM 691 CD LYS A 50 6.705 -8.716 3.846 1.00 0.00 C ATOM 692 CE LYS A 50 5.614 -8.541 2.800 1.00 0.00 C ATOM 693 NZ LYS A 50 4.379 -7.945 3.380 1.00 0.00 N ATOM 0 H LYS A 50 10.427 -6.189 2.412 1.00 0.00 H new ATOM 0 HA LYS A 50 8.930 -7.358 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.363 -7.590 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.662 -8.766 2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.671 -10.013 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.454 -9.950 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.335 -9.342 4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.955 -7.747 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.981 -7.904 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.377 -9.508 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.660 -7.842 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.014 -8.565 4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.599 -7.011 3.780 1.00 0.00 H new ATOM 707 N LYS A 51 11.872 -7.562 4.730 1.00 0.00 N ATOM 708 CA LYS A 51 13.089 -8.188 5.233 1.00 0.00 C ATOM 709 C LYS A 51 13.618 -7.444 6.455 1.00 0.00 C ATOM 710 O LYS A 51 13.786 -8.028 7.526 1.00 0.00 O ATOM 711 CB LYS A 51 14.159 -8.221 4.140 1.00 0.00 C ATOM 712 CG LYS A 51 15.087 -9.420 4.234 1.00 0.00 C ATOM 713 CD LYS A 51 15.815 -9.666 2.923 1.00 0.00 C ATOM 714 CE LYS A 51 16.411 -11.065 2.870 1.00 0.00 C ATOM 715 NZ LYS A 51 17.413 -11.281 3.950 1.00 0.00 N ATOM 0 H LYS A 51 11.900 -6.543 4.711 1.00 0.00 H new ATOM 0 HA LYS A 51 12.848 -9.209 5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.671 -8.225 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.752 -7.308 4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.814 -9.257 5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.512 -10.306 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.124 -9.532 2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.607 -8.927 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.614 -11.803 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.883 -11.223 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.845 -12.220 3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.151 -10.551 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.943 -11.223 4.876 1.00 0.00 H new ATOM 729 N CYS A 52 13.879 -6.152 6.289 1.00 0.00 N ATOM 730 CA CYS A 52 14.388 -5.327 7.378 1.00 0.00 C ATOM 731 C CYS A 52 13.255 -4.561 8.056 1.00 0.00 C ATOM 732 O CYS A 52 13.423 -4.026 9.151 1.00 0.00 O ATOM 733 CB CYS A 52 15.439 -4.346 6.854 1.00 0.00 C ATOM 734 SG CYS A 52 14.806 -3.170 5.615 1.00 0.00 S ATOM 0 H CYS A 52 13.746 -5.653 5.409 1.00 0.00 H new ATOM 0 HA CYS A 52 14.849 -5.985 8.114 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.849 -3.786 7.695 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.262 -4.911 6.416 1.00 0.00 H new ATOM 0 HG CYS A 52 14.272 -3.826 4.628 1.00 0.00 H new ATOM 739 N SER A 53 12.102 -4.515 7.397 1.00 0.00 N ATOM 740 CA SER A 53 10.942 -3.813 7.933 1.00 0.00 C ATOM 741 C SER A 53 11.224 -2.319 8.063 1.00 0.00 C ATOM 742 O SER A 53 11.176 -1.760 9.159 1.00 0.00 O ATOM 743 CB SER A 53 10.555 -4.391 9.296 1.00 0.00 C ATOM 744 OG SER A 53 10.658 -5.804 9.298 1.00 0.00 O ATOM 0 H SER A 53 11.946 -4.956 6.490 1.00 0.00 H new ATOM 0 HA SER A 53 10.112 -3.950 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.202 -3.975 10.068 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.535 -4.097 9.543 1.00 0.00 H new ATOM 0 HG SER A 53 10.407 -6.149 10.180 1.00 0.00 H new ATOM 750 N VAL A 54 11.518 -1.679 6.936 1.00 0.00 N ATOM 751 CA VAL A 54 11.807 -0.250 6.922 1.00 0.00 C ATOM 752 C VAL A 54 10.652 0.539 6.315 1.00 0.00 C ATOM 753 O VAL A 54 10.054 0.119 5.325 1.00 0.00 O ATOM 754 CB VAL A 54 13.094 0.055 6.133 1.00 0.00 C ATOM 755 CG1 VAL A 54 12.926 -0.326 4.670 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.467 1.524 6.270 1.00 0.00 C ATOM 0 H VAL A 54 11.562 -2.127 6.021 1.00 0.00 H new ATOM 0 HA VAL A 54 11.945 0.055 7.959 1.00 0.00 H new ATOM 0 HB VAL A 54 13.905 -0.543 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.845 -0.103 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.709 -1.391 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.103 0.244 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.379 1.722 5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.658 2.143 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.632 1.761 7.321 1.00 0.00 H new ATOM 766 N ASN A 55 10.344 1.684 6.914 1.00 0.00 N ATOM 767 CA ASN A 55 9.260 2.532 6.432 1.00 0.00 C ATOM 768 C ASN A 55 9.613 3.150 5.082 1.00 0.00 C ATOM 769 O ASN A 55 10.351 4.134 5.011 1.00 0.00 O ATOM 770 CB ASN A 55 8.958 3.636 7.448 1.00 0.00 C ATOM 771 CG ASN A 55 7.702 4.412 7.101 1.00 0.00 C ATOM 772 OD1 ASN A 55 7.744 5.625 6.900 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.575 3.712 7.030 1.00 0.00 N ATOM 0 H ASN A 55 10.830 2.046 7.734 1.00 0.00 H new ATOM 0 HA ASN A 55 8.373 1.911 6.307 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.847 3.194 8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.804 4.322 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.698 4.179 6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.587 2.707 7.204 1.00 0.00 H new ATOM 780 N LEU A 56 9.080 2.568 4.014 1.00 0.00 N ATOM 781 CA LEU A 56 9.337 3.062 2.665 1.00 0.00 C ATOM 782 C LEU A 56 8.161 3.889 2.155 1.00 0.00 C ATOM 783 O LEU A 56 7.960 4.022 0.949 1.00 0.00 O ATOM 784 CB LEU A 56 9.602 1.893 1.715 1.00 0.00 C ATOM 785 CG LEU A 56 10.826 1.033 2.035 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.732 -0.312 1.330 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.104 1.757 1.639 1.00 0.00 C ATOM 0 H LEU A 56 8.467 1.754 4.055 1.00 0.00 H new ATOM 0 HA LEU A 56 10.219 3.701 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.722 1.250 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.715 2.289 0.706 1.00 0.00 H new ATOM 0 HG LEU A 56 10.851 0.855 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.611 -0.910 1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.835 -0.835 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.682 -0.155 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.965 1.131 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.088 1.965 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.177 2.695 2.190 1.00 0.00 H new ATOM 799 N ALA A 57 7.389 4.446 3.083 1.00 0.00 N ATOM 800 CA ALA A 57 6.237 5.264 2.727 1.00 0.00 C ATOM 801 C ALA A 57 6.654 6.462 1.882 1.00 0.00 C ATOM 802 O ALA A 57 7.404 7.325 2.337 1.00 0.00 O ATOM 803 CB ALA A 57 5.512 5.728 3.982 1.00 0.00 C ATOM 0 H ALA A 57 7.541 4.345 4.087 1.00 0.00 H new ATOM 0 HA ALA A 57 5.558 4.652 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.653 6.338 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.172 4.860 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.191 6.318 4.597 1.00 0.00 H new ATOM 809 N ASN A 58 6.164 6.509 0.647 1.00 0.00 N ATOM 810 CA ASN A 58 6.488 7.601 -0.263 1.00 0.00 C ATOM 811 C ASN A 58 7.986 7.644 -0.550 1.00 0.00 C ATOM 812 O ASN A 58 8.539 8.697 -0.869 1.00 0.00 O ATOM 813 CB ASN A 58 6.032 8.937 0.327 1.00 0.00 C ATOM 814 CG ASN A 58 4.689 8.833 1.024 1.00 0.00 C ATOM 815 OD1 ASN A 58 4.529 9.284 2.158 1.00 0.00 O ATOM 816 ND2 ASN A 58 3.716 8.235 0.346 1.00 0.00 N ATOM 0 H ASN A 58 5.541 5.803 0.254 1.00 0.00 H new ATOM 0 HA ASN A 58 5.961 7.427 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.780 9.292 1.036 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.969 9.680 -0.468 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.791 8.135 0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.894 7.876 -0.592 1.00 0.00 H new ATOM 823 N LYS A 59 8.639 6.493 -0.435 1.00 0.00 N ATOM 824 CA LYS A 59 10.072 6.396 -0.683 1.00 0.00 C ATOM 825 C LYS A 59 10.363 5.427 -1.824 1.00 0.00 C ATOM 826 O LYS A 59 9.445 4.924 -2.472 1.00 0.00 O ATOM 827 CB LYS A 59 10.801 5.942 0.584 1.00 0.00 C ATOM 828 CG LYS A 59 10.372 6.692 1.834 1.00 0.00 C ATOM 829 CD LYS A 59 11.421 6.595 2.929 1.00 0.00 C ATOM 830 CE LYS A 59 10.923 7.202 4.232 1.00 0.00 C ATOM 831 NZ LYS A 59 11.006 8.689 4.218 1.00 0.00 N ATOM 0 H LYS A 59 8.197 5.612 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 59 10.433 7.384 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.626 4.876 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.874 6.072 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.196 7.739 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.427 6.287 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.685 5.550 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.329 7.107 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.891 6.897 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.512 6.813 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.658 9.065 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.995 8.980 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.424 9.062 3.441 1.00 0.00 H new ATOM 845 N ARG A 60 11.644 5.168 -2.063 1.00 0.00 N ATOM 846 CA ARG A 60 12.055 4.259 -3.126 1.00 0.00 C ATOM 847 C ARG A 60 11.896 2.805 -2.689 1.00 0.00 C ATOM 848 O ARG A 60 12.157 2.461 -1.537 1.00 0.00 O ATOM 849 CB ARG A 60 13.507 4.527 -3.523 1.00 0.00 C ATOM 850 CG ARG A 60 13.890 3.935 -4.870 1.00 0.00 C ATOM 851 CD ARG A 60 13.176 4.642 -6.012 1.00 0.00 C ATOM 852 NE ARG A 60 13.624 4.163 -7.317 1.00 0.00 N ATOM 853 CZ ARG A 60 12.993 4.431 -8.455 1.00 0.00 C ATOM 854 NH1 ARG A 60 11.892 5.169 -8.447 1.00 0.00 N ATOM 855 NH2 ARG A 60 13.463 3.960 -9.603 1.00 0.00 N ATOM 0 H ARG A 60 12.416 5.575 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 60 11.412 4.434 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.675 5.604 -3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.166 4.119 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.968 4.013 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.642 2.874 -4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.101 4.488 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.351 5.715 -5.940 1.00 0.00 H new ATOM 0 HE ARG A 60 14.468 3.591 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.528 5.532 -7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.409 5.374 -9.322 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.310 3.391 -9.613 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.978 4.167 -10.476 1.00 0.00 H new ATOM 869 N PHE A 61 11.466 1.958 -3.618 1.00 0.00 N ATOM 870 CA PHE A 61 11.271 0.542 -3.329 1.00 0.00 C ATOM 871 C PHE A 61 11.467 -0.302 -4.585 1.00 0.00 C ATOM 872 O PHE A 61 11.562 0.226 -5.693 1.00 0.00 O ATOM 873 CB PHE A 61 9.872 0.305 -2.755 1.00 0.00 C ATOM 874 CG PHE A 61 8.766 0.685 -3.697 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.301 1.989 -3.750 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.190 -0.262 -4.528 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.283 2.342 -4.616 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.172 0.085 -5.396 1.00 0.00 C ATOM 879 CZ PHE A 61 6.717 1.389 -5.439 1.00 0.00 C ATOM 0 H PHE A 61 11.246 2.227 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 61 12.015 0.242 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 61 9.769 -0.748 -2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.765 0.876 -1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.739 2.738 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.540 -1.283 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.931 3.362 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.733 -0.662 -6.040 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.920 1.662 -6.115 1.00 0.00 H new ATOM 889 N VAL A 62 11.527 -1.617 -4.404 1.00 0.00 N ATOM 890 CA VAL A 62 11.712 -2.536 -5.521 1.00 0.00 C ATOM 891 C VAL A 62 10.745 -3.711 -5.433 1.00 0.00 C ATOM 892 O VAL A 62 10.804 -4.509 -4.497 1.00 0.00 O ATOM 893 CB VAL A 62 13.154 -3.075 -5.573 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.321 -4.041 -6.735 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.148 -1.927 -5.675 1.00 0.00 C ATOM 0 H VAL A 62 11.450 -2.071 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 62 11.511 -1.971 -6.431 1.00 0.00 H new ATOM 0 HB VAL A 62 13.355 -3.618 -4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.346 -4.411 -6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.635 -4.879 -6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.102 -3.526 -7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.162 -2.326 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.951 -1.355 -6.581 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.044 -1.277 -4.806 1.00 0.00 H new ATOM 905 N PHE A 63 9.853 -3.812 -6.413 1.00 0.00 N ATOM 906 CA PHE A 63 8.872 -4.889 -6.446 1.00 0.00 C ATOM 907 C PHE A 63 9.523 -6.205 -6.863 1.00 0.00 C ATOM 908 O PHE A 63 10.124 -6.302 -7.933 1.00 0.00 O ATOM 909 CB PHE A 63 7.734 -4.543 -7.409 1.00 0.00 C ATOM 910 CG PHE A 63 6.416 -5.152 -7.024 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.882 -4.939 -5.763 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.711 -5.935 -7.923 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.670 -5.499 -5.406 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.498 -6.497 -7.572 1.00 0.00 C ATOM 915 CZ PHE A 63 3.977 -6.278 -6.312 1.00 0.00 C ATOM 0 H PHE A 63 9.790 -3.160 -7.195 1.00 0.00 H new ATOM 0 HA PHE A 63 8.465 -5.007 -5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.625 -3.459 -7.455 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.002 -4.879 -8.411 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.419 -4.329 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.114 -6.108 -8.910 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.265 -5.328 -4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.959 -7.106 -8.282 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.029 -6.715 -6.035 1.00 0.00 H new ATOM 925 N HIS A 64 9.399 -7.216 -6.009 1.00 0.00 N ATOM 926 CA HIS A 64 9.975 -8.527 -6.287 1.00 0.00 C ATOM 927 C HIS A 64 9.174 -9.629 -5.600 1.00 0.00 C ATOM 928 O HIS A 64 8.925 -9.569 -4.397 1.00 0.00 O ATOM 929 CB HIS A 64 11.432 -8.576 -5.826 1.00 0.00 C ATOM 930 CG HIS A 64 12.238 -9.641 -6.502 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.580 -9.594 -7.837 1.00 0.00 N ATOM 932 CD2 HIS A 64 12.773 -10.787 -6.019 1.00 0.00 C ATOM 933 CE1 HIS A 64 13.289 -10.665 -8.146 1.00 0.00 C ATOM 934 NE2 HIS A 64 13.421 -11.405 -7.060 1.00 0.00 N ATOM 0 H HIS A 64 8.905 -7.153 -5.119 1.00 0.00 H new ATOM 0 HA HIS A 64 9.937 -8.692 -7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.896 -7.607 -6.012 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.458 -8.741 -4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.703 -11.148 -5.004 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.692 -10.896 -9.121 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.923 -12.291 -7.004 1.00 0.00 H new ATOM 942 N GLN A 65 8.774 -10.633 -6.374 1.00 0.00 N ATOM 943 CA GLN A 65 8.000 -11.748 -5.839 1.00 0.00 C ATOM 944 C GLN A 65 6.699 -11.256 -5.213 1.00 0.00 C ATOM 945 O GLN A 65 6.307 -11.709 -4.139 1.00 0.00 O ATOM 946 CB GLN A 65 8.821 -12.515 -4.801 1.00 0.00 C ATOM 947 CG GLN A 65 10.115 -13.091 -5.354 1.00 0.00 C ATOM 948 CD GLN A 65 9.897 -14.378 -6.126 1.00 0.00 C ATOM 949 OE1 GLN A 65 9.627 -15.428 -5.541 1.00 0.00 O ATOM 950 NE2 GLN A 65 10.015 -14.304 -7.446 1.00 0.00 N ATOM 0 H GLN A 65 8.973 -10.698 -7.372 1.00 0.00 H new ATOM 0 HA GLN A 65 7.755 -12.417 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.055 -11.849 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.215 -13.326 -4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.586 -12.356 -6.006 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.806 -13.277 -4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.240 -13.413 -7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.881 -15.138 -8.018 1.00 0.00 H new ATOM 959 N GLU A 66 6.035 -10.327 -5.893 1.00 0.00 N ATOM 960 CA GLU A 66 4.779 -9.774 -5.402 1.00 0.00 C ATOM 961 C GLU A 66 4.959 -9.160 -4.017 1.00 0.00 C ATOM 962 O GLU A 66 4.021 -9.112 -3.221 1.00 0.00 O ATOM 963 CB GLU A 66 3.702 -10.859 -5.354 1.00 0.00 C ATOM 964 CG GLU A 66 3.557 -11.631 -6.655 1.00 0.00 C ATOM 965 CD GLU A 66 2.527 -12.741 -6.564 1.00 0.00 C ATOM 966 OE1 GLU A 66 2.419 -13.363 -5.487 1.00 0.00 O ATOM 967 OE2 GLU A 66 1.829 -12.986 -7.570 1.00 0.00 O ATOM 0 H GLU A 66 6.346 -9.942 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 66 4.464 -8.990 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.938 -11.558 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.746 -10.399 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.274 -10.943 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.522 -12.057 -6.929 1.00 0.00 H new ATOM 974 N GLN A 67 6.172 -8.692 -3.737 1.00 0.00 N ATOM 975 CA GLN A 67 6.476 -8.082 -2.447 1.00 0.00 C ATOM 976 C GLN A 67 7.232 -6.771 -2.630 1.00 0.00 C ATOM 977 O GLN A 67 7.509 -6.353 -3.755 1.00 0.00 O ATOM 978 CB GLN A 67 7.298 -9.043 -1.586 1.00 0.00 C ATOM 979 CG GLN A 67 6.453 -10.049 -0.821 1.00 0.00 C ATOM 980 CD GLN A 67 7.184 -11.352 -0.567 1.00 0.00 C ATOM 981 OE1 GLN A 67 7.872 -11.873 -1.445 1.00 0.00 O ATOM 982 NE2 GLN A 67 7.039 -11.887 0.640 1.00 0.00 N ATOM 0 H GLN A 67 6.959 -8.724 -4.385 1.00 0.00 H new ATOM 0 HA GLN A 67 5.533 -7.869 -1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.999 -9.581 -2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.891 -8.466 -0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.152 -9.614 0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.541 -10.252 -1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.459 -11.421 1.338 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.508 -12.764 0.869 1.00 0.00 H new ATOM 991 N VAL A 68 7.564 -6.125 -1.517 1.00 0.00 N ATOM 992 CA VAL A 68 8.290 -4.860 -1.555 1.00 0.00 C ATOM 993 C VAL A 68 9.628 -4.973 -0.833 1.00 0.00 C ATOM 994 O VAL A 68 9.703 -5.495 0.280 1.00 0.00 O ATOM 995 CB VAL A 68 7.469 -3.723 -0.917 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.188 -2.392 -1.075 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.078 -3.663 -1.530 1.00 0.00 C ATOM 0 H VAL A 68 7.342 -6.456 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 68 8.466 -4.626 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 68 7.363 -3.927 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.593 -1.601 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.161 -2.443 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.326 -2.177 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.511 -2.855 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.160 -3.482 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.564 -4.609 -1.360 1.00 0.00 H new ATOM 1007 N TYR A 69 10.682 -4.479 -1.472 1.00 0.00 N ATOM 1008 CA TYR A 69 12.019 -4.526 -0.892 1.00 0.00 C ATOM 1009 C TYR A 69 12.814 -3.275 -1.254 1.00 0.00 C ATOM 1010 O TYR A 69 13.038 -2.986 -2.430 1.00 0.00 O ATOM 1011 CB TYR A 69 12.763 -5.773 -1.373 1.00 0.00 C ATOM 1012 CG TYR A 69 12.154 -7.068 -0.883 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.514 -7.608 0.345 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.216 -7.750 -1.649 1.00 0.00 C ATOM 1015 CE1 TYR A 69 11.961 -8.790 0.795 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.657 -8.933 -1.206 1.00 0.00 C ATOM 1017 CZ TYR A 69 11.032 -9.449 0.017 1.00 0.00 C ATOM 1018 OH TYR A 69 10.478 -10.627 0.463 1.00 0.00 O ATOM 0 H TYR A 69 10.637 -4.041 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 69 11.916 -4.568 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.779 -5.778 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.799 -5.719 -1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.239 -7.094 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.919 -7.348 -2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.254 -9.197 1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.930 -9.451 -1.814 1.00 0.00 H new ATOM 0 HH TYR A 69 9.842 -10.962 -0.203 1.00 0.00 H new ATOM 1028 N CYS A 70 13.238 -2.536 -0.235 1.00 0.00 N ATOM 1029 CA CYS A 70 14.008 -1.316 -0.442 1.00 0.00 C ATOM 1030 C CYS A 70 15.194 -1.572 -1.367 1.00 0.00 C ATOM 1031 O CYS A 70 15.647 -2.704 -1.538 1.00 0.00 O ATOM 1032 CB CYS A 70 14.501 -0.765 0.897 1.00 0.00 C ATOM 1033 SG CYS A 70 15.276 -2.013 1.974 1.00 0.00 S ATOM 0 H CYS A 70 13.061 -2.761 0.744 1.00 0.00 H new ATOM 0 HA CYS A 70 13.356 -0.580 -0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.220 0.032 0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.660 -0.317 1.425 1.00 0.00 H new ATOM 0 HG CYS A 70 14.413 -2.946 2.247 1.00 0.00 H new ATOM 1038 N PRO A 71 15.710 -0.496 -1.979 1.00 0.00 N ATOM 1039 CA PRO A 71 16.851 -0.578 -2.896 1.00 0.00 C ATOM 1040 C PRO A 71 17.998 -1.402 -2.322 1.00 0.00 C ATOM 1041 O PRO A 71 18.666 -2.142 -3.045 1.00 0.00 O ATOM 1042 CB PRO A 71 17.275 0.883 -3.067 1.00 0.00 C ATOM 1043 CG PRO A 71 16.038 1.670 -2.801 1.00 0.00 C ATOM 1044 CD PRO A 71 15.221 0.884 -1.822 1.00 0.00 C ATOM 0 HA PRO A 71 16.587 -1.072 -3.831 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.070 1.148 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.655 1.070 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.285 2.652 -2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.481 1.836 -3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.363 1.244 -0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.156 0.958 -2.041 1.00 0.00 H new ATOM 1052 N ASP A 72 18.221 -1.270 -1.020 1.00 0.00 N ATOM 1053 CA ASP A 72 19.288 -2.004 -0.348 1.00 0.00 C ATOM 1054 C ASP A 72 19.008 -3.504 -0.364 1.00 0.00 C ATOM 1055 O ASP A 72 19.723 -4.273 -1.007 1.00 0.00 O ATOM 1056 CB ASP A 72 19.442 -1.517 1.093 1.00 0.00 C ATOM 1057 CG ASP A 72 20.803 -1.849 1.674 1.00 0.00 C ATOM 1058 OD1 ASP A 72 21.820 -1.513 1.033 1.00 0.00 O ATOM 1059 OD2 ASP A 72 20.850 -2.445 2.770 1.00 0.00 O ATOM 0 H ASP A 72 17.677 -0.662 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 72 20.218 -1.820 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.289 -0.438 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.666 -1.969 1.711 1.00 0.00 H new ATOM 1064 N CYS A 73 17.964 -3.914 0.349 1.00 0.00 N ATOM 1065 CA CYS A 73 17.590 -5.321 0.419 1.00 0.00 C ATOM 1066 C CYS A 73 17.459 -5.919 -0.979 1.00 0.00 C ATOM 1067 O CYS A 73 17.841 -7.065 -1.213 1.00 0.00 O ATOM 1068 CB CYS A 73 16.273 -5.483 1.180 1.00 0.00 C ATOM 1069 SG CYS A 73 16.454 -5.457 2.993 1.00 0.00 S ATOM 0 H CYS A 73 17.362 -3.291 0.887 1.00 0.00 H new ATOM 0 HA CYS A 73 18.377 -5.854 0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.593 -4.685 0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.809 -6.424 0.885 1.00 0.00 H new ATOM 0 HG CYS A 73 15.300 -5.218 3.541 1.00 0.00 H new ATOM 1074 N ALA A 74 16.917 -5.134 -1.904 1.00 0.00 N ATOM 1075 CA ALA A 74 16.738 -5.585 -3.278 1.00 0.00 C ATOM 1076 C ALA A 74 18.044 -6.118 -3.856 1.00 0.00 C ATOM 1077 O ALA A 74 18.047 -7.067 -4.640 1.00 0.00 O ATOM 1078 CB ALA A 74 16.201 -4.451 -4.140 1.00 0.00 C ATOM 0 H ALA A 74 16.594 -4.183 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 74 16.014 -6.399 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.072 -4.802 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.240 -4.119 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.906 -3.619 -4.127 1.00 0.00 H new ATOM 1084 N LYS A 75 19.154 -5.500 -3.465 1.00 0.00 N ATOM 1085 CA LYS A 75 20.468 -5.912 -3.943 1.00 0.00 C ATOM 1086 C LYS A 75 20.750 -7.366 -3.577 1.00 0.00 C ATOM 1087 O LYS A 75 21.464 -8.070 -4.291 1.00 0.00 O ATOM 1088 CB LYS A 75 21.554 -5.008 -3.356 1.00 0.00 C ATOM 1089 CG LYS A 75 21.361 -3.536 -3.680 1.00 0.00 C ATOM 1090 CD LYS A 75 22.691 -2.809 -3.781 1.00 0.00 C ATOM 1091 CE LYS A 75 23.397 -2.749 -2.435 1.00 0.00 C ATOM 1092 NZ LYS A 75 24.250 -3.947 -2.202 1.00 0.00 N ATOM 0 H LYS A 75 19.169 -4.712 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 75 20.476 -5.821 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.574 -5.134 -2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.525 -5.330 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.819 -3.437 -4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.748 -3.070 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.329 -3.315 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.527 -1.797 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.012 -1.850 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.656 -2.671 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.109 -3.667 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.722 -4.645 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.516 -4.367 -3.116 1.00 0.00 H new ATOM 1106 N LYS A 76 20.182 -7.810 -2.461 1.00 0.00 N ATOM 1107 CA LYS A 76 20.369 -9.181 -2.000 1.00 0.00 C ATOM 1108 C LYS A 76 19.519 -10.150 -2.816 1.00 0.00 C ATOM 1109 O LYS A 76 19.851 -11.329 -2.941 1.00 0.00 O ATOM 1110 CB LYS A 76 20.011 -9.296 -0.517 1.00 0.00 C ATOM 1111 CG LYS A 76 20.730 -8.287 0.362 1.00 0.00 C ATOM 1112 CD LYS A 76 20.110 -8.213 1.747 1.00 0.00 C ATOM 1113 CE LYS A 76 20.735 -7.102 2.579 1.00 0.00 C ATOM 1114 NZ LYS A 76 20.045 -6.935 3.888 1.00 0.00 N ATOM 0 H LYS A 76 19.588 -7.240 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 76 21.418 -9.443 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.935 -9.166 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.249 -10.302 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.781 -8.561 0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.694 -7.304 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.037 -8.043 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.240 -9.168 2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.788 -7.324 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.693 -6.165 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.500 -6.169 4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.045 -6.698 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.107 -7.821 4.429 1.00 0.00 H new ATOM 1128 N LEU A 77 18.422 -9.645 -3.370 1.00 0.00 N ATOM 1129 CA LEU A 77 17.524 -10.465 -4.175 1.00 0.00 C ATOM 1130 C LEU A 77 18.150 -10.789 -5.528 1.00 0.00 C ATOM 1131 O LEU A 77 17.864 -10.132 -6.528 1.00 0.00 O ATOM 1132 CB LEU A 77 16.188 -9.748 -4.376 1.00 0.00 C ATOM 1133 CG LEU A 77 15.514 -9.218 -3.111 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.265 -8.425 -3.463 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.173 -10.363 -2.168 1.00 0.00 C ATOM 0 H LEU A 77 18.133 -8.671 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 77 17.350 -11.400 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.346 -8.912 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.500 -10.435 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 77 16.211 -8.551 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.799 -8.056 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.536 -7.582 -4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.563 -9.068 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.694 -9.967 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.494 -11.055 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.086 -10.888 -1.888 1.00 0.00 H new