USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=14 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= 1.01 K(o=2.2,f=-3.5!) USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 1.22 USER MOD Set 2.1: A 49 CYS SG : rot 2:sc= 0.533 USER MOD Set 2.2: A 52 CYS SG : rot -45:sc= 0.276 USER MOD Set 2.3: A 70 CYS SG : rot -61:sc= 0.724 USER MOD Set 2.4: A 73 CYS SG : rot 125:sc= 0.0595 USER MOD Set 2.5: A 76 LYS NZ :NH3+ -113:sc= 0.0384 (180deg=-3.2!) USER MOD Set 3.1: A 18 CYS SG : rot -166:sc= -0.0545 USER MOD Set 3.2: A 21 CYS SG : rot -104:sc= -0.564 USER MOD Set 3.3: A 43 HIS : no HD1:sc= -0.615 K(o=0.54,f=-0.77) USER MOD Set 3.4: A 45 TYR OH : rot 96:sc= 0.00352 USER MOD Set 3.5: A 46 CYS SG : rot 52:sc= 1.77 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -105:sc= -0.174 (180deg=-1.53!) USER MOD Single : A 23 ASN : amide:sc= 0.0932 K(o=0.093,f=-0.86) USER MOD Single : A 41 SER OG : rot -23:sc= 0.256 USER MOD Single : A 48 HIS : no HE2:sc= 0.329 K(o=0.33,f=-2.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.12 X(o=0.12,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.15) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.089) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N LYS A 17 -9.005 -1.828 -0.924 1.00 0.00 N ATOM 215 CA LYS A 17 -8.549 -2.679 0.169 1.00 0.00 C ATOM 216 C LYS A 17 -7.031 -2.821 0.151 1.00 0.00 C ATOM 217 O LYS A 17 -6.441 -3.160 -0.876 1.00 0.00 O ATOM 218 CB LYS A 17 -9.202 -4.060 0.073 1.00 0.00 C ATOM 219 CG LYS A 17 -10.623 -4.099 0.609 1.00 0.00 C ATOM 220 CD LYS A 17 -11.635 -3.737 -0.465 1.00 0.00 C ATOM 221 CE LYS A 17 -13.060 -3.989 0.004 1.00 0.00 C ATOM 222 NZ LYS A 17 -13.446 -5.420 -0.140 1.00 0.00 N ATOM 0 HA LYS A 17 -8.841 -2.210 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.207 -4.379 -0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.595 -4.779 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.840 -5.095 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.716 -3.407 1.446 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.520 -2.687 -0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.438 -4.321 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.157 -3.690 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.747 -3.368 -0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.424 -5.551 0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.378 -5.699 -1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.807 -6.011 0.429 1.00 0.00 H new ATOM 236 N CYS A 18 -6.403 -2.561 1.293 1.00 0.00 N ATOM 237 CA CYS A 18 -4.953 -2.660 1.409 1.00 0.00 C ATOM 238 C CYS A 18 -4.467 -4.042 0.981 1.00 0.00 C ATOM 239 O CYS A 18 -5.152 -5.043 1.186 1.00 0.00 O ATOM 240 CB CYS A 18 -4.516 -2.376 2.847 1.00 0.00 C ATOM 241 SG CYS A 18 -2.717 -2.170 3.050 1.00 0.00 S ATOM 0 H CYS A 18 -6.876 -2.280 2.152 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.508 -1.917 0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.016 -1.472 3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.852 -3.193 3.486 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.413 -2.230 4.313 1.00 0.00 H new ATOM 246 N ALA A 19 -3.279 -4.087 0.386 1.00 0.00 N ATOM 247 CA ALA A 19 -2.700 -5.345 -0.069 1.00 0.00 C ATOM 248 C ALA A 19 -1.700 -5.887 0.947 1.00 0.00 C ATOM 249 O ALA A 19 -0.788 -6.634 0.597 1.00 0.00 O ATOM 250 CB ALA A 19 -2.031 -5.159 -1.422 1.00 0.00 C ATOM 0 H ALA A 19 -2.699 -3.267 0.208 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.506 -6.072 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.603 -6.106 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.770 -4.823 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.240 -4.414 -1.337 1.00 0.00 H new ATOM 256 N GLY A 20 -1.879 -5.507 2.209 1.00 0.00 N ATOM 257 CA GLY A 20 -0.985 -5.964 3.256 1.00 0.00 C ATOM 258 C GLY A 20 -1.730 -6.473 4.474 1.00 0.00 C ATOM 259 O GLY A 20 -1.383 -7.513 5.034 1.00 0.00 O ATOM 0 H GLY A 20 -2.628 -4.890 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.349 -6.758 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.328 -5.146 3.551 1.00 0.00 H new ATOM 263 N CYS A 21 -2.756 -5.737 4.887 1.00 0.00 N ATOM 264 CA CYS A 21 -3.552 -6.117 6.048 1.00 0.00 C ATOM 265 C CYS A 21 -4.931 -6.613 5.624 1.00 0.00 C ATOM 266 O CYS A 21 -5.667 -7.195 6.421 1.00 0.00 O ATOM 267 CB CYS A 21 -3.697 -4.931 7.004 1.00 0.00 C ATOM 268 SG CYS A 21 -4.390 -3.434 6.232 1.00 0.00 S ATOM 0 H CYS A 21 -3.056 -4.873 4.435 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.035 -6.928 6.561 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.335 -5.226 7.837 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.718 -4.692 7.421 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.438 -2.575 6.019 1.00 0.00 H new ATOM 273 N LYS A 22 -5.276 -6.379 4.362 1.00 0.00 N ATOM 274 CA LYS A 22 -6.565 -6.802 3.829 1.00 0.00 C ATOM 275 C LYS A 22 -7.709 -6.084 4.537 1.00 0.00 C ATOM 276 O LYS A 22 -8.605 -6.720 5.090 1.00 0.00 O ATOM 277 CB LYS A 22 -6.729 -8.317 3.978 1.00 0.00 C ATOM 278 CG LYS A 22 -5.525 -9.109 3.499 1.00 0.00 C ATOM 279 CD LYS A 22 -5.318 -8.959 2.001 1.00 0.00 C ATOM 280 CE LYS A 22 -6.197 -9.922 1.217 1.00 0.00 C ATOM 281 NZ LYS A 22 -7.537 -9.340 0.929 1.00 0.00 N ATOM 0 H LYS A 22 -4.679 -5.898 3.689 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.596 -6.541 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.915 -8.553 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.609 -8.636 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.633 -8.771 4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.660 -10.162 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.542 -7.935 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.271 -9.140 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.705 -10.182 0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.316 -10.847 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.246 -9.776 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.513 -8.314 1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.789 -9.523 -0.063 1.00 0.00 H new ATOM 295 N ASN A 23 -7.672 -4.756 4.515 1.00 0.00 N ATOM 296 CA ASN A 23 -8.707 -3.952 5.155 1.00 0.00 C ATOM 297 C ASN A 23 -9.065 -2.743 4.297 1.00 0.00 C ATOM 298 O ASN A 23 -8.308 -2.328 3.419 1.00 0.00 O ATOM 299 CB ASN A 23 -8.241 -3.490 6.538 1.00 0.00 C ATOM 300 CG ASN A 23 -8.560 -4.500 7.623 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.606 -4.425 8.267 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.657 -5.451 7.830 1.00 0.00 N ATOM 0 H ASN A 23 -6.937 -4.214 4.061 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.596 -4.572 5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.166 -3.313 6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.716 -2.539 6.780 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.817 -6.158 8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.804 -5.474 7.272 1.00 0.00 H new ATOM 309 N PRO A 24 -10.246 -2.162 4.555 1.00 0.00 N ATOM 310 CA PRO A 24 -10.731 -0.992 3.818 1.00 0.00 C ATOM 311 C PRO A 24 -9.932 0.267 4.138 1.00 0.00 C ATOM 312 O PRO A 24 -9.665 0.564 5.302 1.00 0.00 O ATOM 313 CB PRO A 24 -12.177 -0.844 4.298 1.00 0.00 C ATOM 314 CG PRO A 24 -12.195 -1.479 5.646 1.00 0.00 C ATOM 315 CD PRO A 24 -11.199 -2.604 5.587 1.00 0.00 C ATOM 0 HA PRO A 24 -10.637 -1.122 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.472 0.204 4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.872 -1.337 3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.926 -0.760 6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.190 -1.851 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.708 -2.757 6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.674 -3.547 5.318 1.00 0.00 H new ATOM 323 N ILE A 25 -9.554 1.003 3.098 1.00 0.00 N ATOM 324 CA ILE A 25 -8.787 2.230 3.269 1.00 0.00 C ATOM 325 C ILE A 25 -9.699 3.452 3.270 1.00 0.00 C ATOM 326 O ILE A 25 -9.637 4.288 2.367 1.00 0.00 O ATOM 327 CB ILE A 25 -7.730 2.393 2.162 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.929 1.099 1.997 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.805 3.558 2.479 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.896 1.164 0.894 1.00 0.00 C ATOM 0 H ILE A 25 -9.767 0.770 2.128 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.282 2.155 4.232 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.240 2.605 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.430 0.868 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.617 0.279 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.063 3.660 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.388 4.476 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.300 3.374 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.367 0.213 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.391 1.364 -0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.185 1.962 1.108 1.00 0.00 H new ATOM 441 N VAL A 34 -1.241 7.476 2.386 1.00 0.00 N ATOM 442 CA VAL A 34 -1.260 6.129 1.829 1.00 0.00 C ATOM 443 C VAL A 34 -0.472 6.061 0.526 1.00 0.00 C ATOM 444 O VAL A 34 -0.442 7.021 -0.244 1.00 0.00 O ATOM 445 CB VAL A 34 -2.701 5.649 1.570 1.00 0.00 C ATOM 446 CG1 VAL A 34 -3.405 6.577 0.591 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.702 4.218 1.056 1.00 0.00 C ATOM 0 HA VAL A 34 -0.794 5.476 2.566 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.248 5.672 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.421 6.222 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.437 7.585 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.861 6.589 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.728 3.896 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.139 4.166 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.240 3.565 1.796 1.00 0.00 H new ATOM 457 N VAL A 35 0.164 4.920 0.284 1.00 0.00 N ATOM 458 CA VAL A 35 0.952 4.726 -0.928 1.00 0.00 C ATOM 459 C VAL A 35 0.174 3.926 -1.966 1.00 0.00 C ATOM 460 O VAL A 35 -0.651 3.080 -1.623 1.00 0.00 O ATOM 461 CB VAL A 35 2.278 4.002 -0.625 1.00 0.00 C ATOM 462 CG1 VAL A 35 3.167 3.978 -1.859 1.00 0.00 C ATOM 463 CG2 VAL A 35 2.992 4.665 0.543 1.00 0.00 C ATOM 0 H VAL A 35 0.149 4.115 0.911 1.00 0.00 H new ATOM 0 HA VAL A 35 1.171 5.717 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 35 2.054 2.972 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.099 3.463 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.655 3.454 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.385 5.000 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.926 4.141 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.205 5.705 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.357 4.625 1.428 1.00 0.00 H new ATOM 473 N ALA A 36 0.444 4.199 -3.239 1.00 0.00 N ATOM 474 CA ALA A 36 -0.229 3.502 -4.328 1.00 0.00 C ATOM 475 C ALA A 36 0.738 3.207 -5.470 1.00 0.00 C ATOM 476 O ALA A 36 1.629 4.004 -5.764 1.00 0.00 O ATOM 477 CB ALA A 36 -1.407 4.323 -4.831 1.00 0.00 C ATOM 0 H ALA A 36 1.123 4.897 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.600 2.551 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.901 3.791 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.115 4.480 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.050 5.288 -5.192 1.00 0.00 H new ATOM 543 N SER A 41 -2.575 -0.467 -3.302 1.00 0.00 N ATOM 544 CA SER A 41 -2.324 0.542 -2.280 1.00 0.00 C ATOM 545 C SER A 41 -1.733 -0.091 -1.024 1.00 0.00 C ATOM 546 O SER A 41 -1.864 -1.295 -0.802 1.00 0.00 O ATOM 547 CB SER A 41 -3.618 1.279 -1.932 1.00 0.00 C ATOM 548 OG SER A 41 -4.697 0.372 -1.782 1.00 0.00 O ATOM 0 HA SER A 41 -1.604 1.256 -2.679 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.482 1.843 -1.009 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.851 2.000 -2.715 1.00 0.00 H new ATOM 0 HG SER A 41 -4.501 -0.453 -2.273 1.00 0.00 H new ATOM 554 N TRP A 42 -1.081 0.728 -0.206 1.00 0.00 N ATOM 555 CA TRP A 42 -0.469 0.249 1.028 1.00 0.00 C ATOM 556 C TRP A 42 -0.373 1.368 2.058 1.00 0.00 C ATOM 557 O TRP A 42 0.238 2.407 1.805 1.00 0.00 O ATOM 558 CB TRP A 42 0.922 -0.321 0.743 1.00 0.00 C ATOM 559 CG TRP A 42 0.890 -1.643 0.038 1.00 0.00 C ATOM 560 CD1 TRP A 42 0.688 -2.869 0.604 1.00 0.00 C ATOM 561 CD2 TRP A 42 1.067 -1.870 -1.365 1.00 0.00 C ATOM 562 NE1 TRP A 42 0.729 -3.845 -0.362 1.00 0.00 N ATOM 563 CE2 TRP A 42 0.959 -3.258 -1.578 1.00 0.00 C ATOM 564 CE3 TRP A 42 1.304 -1.036 -2.461 1.00 0.00 C ATOM 565 CZ2 TRP A 42 1.082 -3.828 -2.843 1.00 0.00 C ATOM 566 CZ3 TRP A 42 1.426 -1.603 -3.715 1.00 0.00 C ATOM 567 CH2 TRP A 42 1.314 -2.988 -3.898 1.00 0.00 C ATOM 0 H TRP A 42 -0.963 1.727 -0.375 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.101 -0.540 1.436 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.482 0.392 0.138 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.461 -0.432 1.684 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.521 -3.046 1.656 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.608 -4.845 -0.200 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.390 0.033 -2.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.997 -4.895 -2.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.611 -0.968 -4.569 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.413 -3.400 -4.891 1.00 0.00 H new ATOM 578 N HIS A 43 -0.979 1.150 3.221 1.00 0.00 N ATOM 579 CA HIS A 43 -0.961 2.142 4.290 1.00 0.00 C ATOM 580 C HIS A 43 0.466 2.591 4.591 1.00 0.00 C ATOM 581 O HIS A 43 1.426 1.878 4.296 1.00 0.00 O ATOM 582 CB HIS A 43 -1.605 1.572 5.554 1.00 0.00 C ATOM 583 CG HIS A 43 -3.071 1.300 5.409 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.634 0.063 5.643 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.091 2.115 5.053 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.937 0.128 5.436 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.240 1.362 5.077 1.00 0.00 N ATOM 0 H HIS A 43 -1.488 0.296 3.447 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.533 3.008 3.958 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.097 0.646 5.825 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.453 2.271 6.376 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.016 3.162 4.798 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.635 -0.689 5.542 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.176 1.701 4.854 1.00 0.00 H new ATOM 595 N ASP A 44 0.598 3.775 5.177 1.00 0.00 N ATOM 596 CA ASP A 44 1.907 4.319 5.518 1.00 0.00 C ATOM 597 C ASP A 44 2.666 3.371 6.442 1.00 0.00 C ATOM 598 O ASP A 44 3.895 3.308 6.410 1.00 0.00 O ATOM 599 CB ASP A 44 1.758 5.688 6.182 1.00 0.00 C ATOM 600 CG ASP A 44 0.966 5.622 7.473 1.00 0.00 C ATOM 601 OD1 ASP A 44 -0.261 5.398 7.405 1.00 0.00 O ATOM 602 OD2 ASP A 44 1.572 5.793 8.551 1.00 0.00 O ATOM 0 H ASP A 44 -0.186 4.377 5.426 1.00 0.00 H new ATOM 0 HA ASP A 44 2.477 4.432 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.747 6.099 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.265 6.372 5.491 1.00 0.00 H new ATOM 607 N TYR A 45 1.925 2.636 7.264 1.00 0.00 N ATOM 608 CA TYR A 45 2.528 1.694 8.200 1.00 0.00 C ATOM 609 C TYR A 45 2.650 0.308 7.575 1.00 0.00 C ATOM 610 O TYR A 45 3.459 -0.512 8.008 1.00 0.00 O ATOM 611 CB TYR A 45 1.698 1.616 9.482 1.00 0.00 C ATOM 612 CG TYR A 45 0.397 0.862 9.317 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.729 1.486 8.796 1.00 0.00 C ATOM 614 CD2 TYR A 45 0.296 -0.475 9.682 1.00 0.00 C ATOM 615 CE1 TYR A 45 -1.919 0.801 8.644 1.00 0.00 C ATOM 616 CE2 TYR A 45 -0.890 -1.168 9.532 1.00 0.00 C ATOM 617 CZ TYR A 45 -1.994 -0.525 9.013 1.00 0.00 C ATOM 618 OH TYR A 45 -3.178 -1.211 8.862 1.00 0.00 O ATOM 0 H TYR A 45 0.906 2.674 7.301 1.00 0.00 H new ATOM 0 HA TYR A 45 3.528 2.052 8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.291 1.135 10.260 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.481 2.627 9.826 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.673 2.524 8.505 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.159 -0.981 10.090 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.786 1.302 8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.952 -2.207 9.820 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.165 -1.703 8.015 1.00 0.00 H new ATOM 628 N CYS A 46 1.841 0.054 6.551 1.00 0.00 N ATOM 629 CA CYS A 46 1.857 -1.231 5.864 1.00 0.00 C ATOM 630 C CYS A 46 2.988 -1.287 4.841 1.00 0.00 C ATOM 631 O CYS A 46 3.574 -2.344 4.605 1.00 0.00 O ATOM 632 CB CYS A 46 0.516 -1.479 5.172 1.00 0.00 C ATOM 633 SG CYS A 46 -0.781 -2.131 6.273 1.00 0.00 S ATOM 0 H CYS A 46 1.166 0.722 6.179 1.00 0.00 H new ATOM 0 HA CYS A 46 2.024 -2.010 6.607 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.168 -0.544 4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.667 -2.180 4.351 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.880 -1.372 7.324 1.00 0.00 H new ATOM 638 N PHE A 47 3.289 -0.142 4.237 1.00 0.00 N ATOM 639 CA PHE A 47 4.349 -0.060 3.239 1.00 0.00 C ATOM 640 C PHE A 47 5.724 -0.113 3.900 1.00 0.00 C ATOM 641 O PHE A 47 6.267 0.912 4.311 1.00 0.00 O ATOM 642 CB PHE A 47 4.212 1.227 2.424 1.00 0.00 C ATOM 643 CG PHE A 47 4.716 1.100 1.014 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.240 0.099 0.182 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.664 1.981 0.521 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.701 -0.021 -1.115 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.128 1.867 -0.776 1.00 0.00 C ATOM 648 CZ PHE A 47 5.647 0.864 -1.594 1.00 0.00 C ATOM 0 H PHE A 47 2.814 0.742 4.421 1.00 0.00 H new ATOM 0 HA PHE A 47 4.253 -0.917 2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.163 1.523 2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.758 2.026 2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.500 -0.595 0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.045 2.766 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.322 -0.806 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.866 2.562 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.010 0.772 -2.607 1.00 0.00 H new ATOM 658 N HIS A 48 6.280 -1.316 3.999 1.00 0.00 N ATOM 659 CA HIS A 48 7.592 -1.504 4.610 1.00 0.00 C ATOM 660 C HIS A 48 8.289 -2.732 4.032 1.00 0.00 C ATOM 661 O HIS A 48 7.637 -3.692 3.618 1.00 0.00 O ATOM 662 CB HIS A 48 7.456 -1.646 6.126 1.00 0.00 C ATOM 663 CG HIS A 48 6.501 -2.722 6.544 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.321 -2.464 7.210 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.556 -4.065 6.385 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.693 -3.602 7.444 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.420 -4.588 6.953 1.00 0.00 N ATOM 0 H HIS A 48 5.843 -2.175 3.664 1.00 0.00 H new ATOM 0 HA HIS A 48 8.199 -0.626 4.388 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.437 -1.857 6.552 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.124 -0.695 6.543 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.986 -1.539 7.480 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.346 -4.621 5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.745 -3.708 7.951 1.00 0.00 H new ATOM 675 N CYS A 49 9.617 -2.696 4.008 1.00 0.00 N ATOM 676 CA CYS A 49 10.403 -3.804 3.481 1.00 0.00 C ATOM 677 C CYS A 49 9.998 -5.120 4.139 1.00 0.00 C ATOM 678 O CYS A 49 9.635 -5.153 5.315 1.00 0.00 O ATOM 679 CB CYS A 49 11.896 -3.549 3.701 1.00 0.00 C ATOM 680 SG CYS A 49 12.986 -4.747 2.868 1.00 0.00 S ATOM 0 H CYS A 49 10.172 -1.910 4.348 1.00 0.00 H new ATOM 0 HA CYS A 49 10.208 -3.878 2.411 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.138 -2.547 3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.103 -3.568 4.771 1.00 0.00 H new ATOM 0 HG CYS A 49 12.266 -5.587 2.186 1.00 0.00 H new ATOM 685 N LYS A 50 10.064 -6.204 3.372 1.00 0.00 N ATOM 686 CA LYS A 50 9.706 -7.523 3.879 1.00 0.00 C ATOM 687 C LYS A 50 10.943 -8.275 4.360 1.00 0.00 C ATOM 688 O LYS A 50 10.951 -9.505 4.417 1.00 0.00 O ATOM 689 CB LYS A 50 8.993 -8.333 2.794 1.00 0.00 C ATOM 690 CG LYS A 50 7.978 -9.322 3.340 1.00 0.00 C ATOM 691 CD LYS A 50 6.621 -8.670 3.548 1.00 0.00 C ATOM 692 CE LYS A 50 5.585 -9.680 4.018 1.00 0.00 C ATOM 693 NZ LYS A 50 4.431 -9.018 4.688 1.00 0.00 N ATOM 0 H LYS A 50 10.362 -6.194 2.397 1.00 0.00 H new ATOM 0 HA LYS A 50 9.032 -7.389 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.489 -7.647 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.737 -8.874 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.878 -10.160 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.337 -9.728 4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.709 -7.869 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.289 -8.213 2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.228 -10.258 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.051 -10.384 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.747 -9.739 4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.768 -8.487 5.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.971 -8.365 4.022 1.00 0.00 H new ATOM 707 N LYS A 51 11.986 -7.528 4.706 1.00 0.00 N ATOM 708 CA LYS A 51 13.228 -8.123 5.185 1.00 0.00 C ATOM 709 C LYS A 51 13.711 -7.427 6.453 1.00 0.00 C ATOM 710 O LYS A 51 13.834 -8.051 7.508 1.00 0.00 O ATOM 711 CB LYS A 51 14.307 -8.042 4.103 1.00 0.00 C ATOM 712 CG LYS A 51 15.204 -9.266 4.044 1.00 0.00 C ATOM 713 CD LYS A 51 15.655 -9.559 2.623 1.00 0.00 C ATOM 714 CE LYS A 51 14.643 -10.420 1.883 1.00 0.00 C ATOM 715 NZ LYS A 51 15.213 -11.742 1.502 1.00 0.00 N ATOM 0 H LYS A 51 11.996 -6.509 4.664 1.00 0.00 H new ATOM 0 HA LYS A 51 13.034 -9.170 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.828 -7.906 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.922 -7.160 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.076 -9.110 4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.670 -10.129 4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.799 -8.622 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.620 -10.066 2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.765 -10.570 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.308 -9.897 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.492 -12.299 1.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.035 -11.600 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.510 -12.252 2.358 1.00 0.00 H new ATOM 729 N CYS A 52 13.983 -6.131 6.344 1.00 0.00 N ATOM 730 CA CYS A 52 14.452 -5.350 7.482 1.00 0.00 C ATOM 731 C CYS A 52 13.304 -4.568 8.115 1.00 0.00 C ATOM 732 O CYS A 52 13.439 -4.026 9.212 1.00 0.00 O ATOM 733 CB CYS A 52 15.558 -4.387 7.046 1.00 0.00 C ATOM 734 SG CYS A 52 15.061 -3.230 5.730 1.00 0.00 S ATOM 0 H CYS A 52 13.887 -5.599 5.479 1.00 0.00 H new ATOM 0 HA CYS A 52 14.852 -6.041 8.224 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.889 -3.814 7.913 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.414 -4.966 6.701 1.00 0.00 H new ATOM 0 HG CYS A 52 14.408 -3.875 4.809 1.00 0.00 H new ATOM 739 N SER A 53 12.175 -4.516 7.416 1.00 0.00 N ATOM 740 CA SER A 53 11.004 -3.799 7.908 1.00 0.00 C ATOM 741 C SER A 53 11.296 -2.307 8.038 1.00 0.00 C ATOM 742 O SER A 53 11.187 -1.734 9.121 1.00 0.00 O ATOM 743 CB SER A 53 10.564 -4.364 9.260 1.00 0.00 C ATOM 744 OG SER A 53 10.652 -5.778 9.275 1.00 0.00 O ATOM 0 H SER A 53 12.046 -4.962 6.508 1.00 0.00 H new ATOM 0 HA SER A 53 10.197 -3.932 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.188 -3.949 10.051 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.539 -4.058 9.469 1.00 0.00 H new ATOM 0 HG SER A 53 10.367 -6.114 10.150 1.00 0.00 H new ATOM 750 N VAL A 54 11.667 -1.684 6.924 1.00 0.00 N ATOM 751 CA VAL A 54 11.974 -0.259 6.911 1.00 0.00 C ATOM 752 C VAL A 54 10.829 0.545 6.305 1.00 0.00 C ATOM 753 O VAL A 54 10.316 0.205 5.240 1.00 0.00 O ATOM 754 CB VAL A 54 13.265 0.030 6.121 1.00 0.00 C ATOM 755 CG1 VAL A 54 13.110 -0.397 4.670 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.627 1.505 6.215 1.00 0.00 C ATOM 0 H VAL A 54 11.762 -2.144 6.019 1.00 0.00 H new ATOM 0 HA VAL A 54 12.116 0.043 7.948 1.00 0.00 H new ATOM 0 HB VAL A 54 14.077 -0.549 6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 54 14.032 -0.185 4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.900 -1.466 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.287 0.153 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.541 1.692 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.817 2.106 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.783 1.776 7.259 1.00 0.00 H new ATOM 766 N ASN A 55 10.435 1.612 6.990 1.00 0.00 N ATOM 767 CA ASN A 55 9.350 2.465 6.519 1.00 0.00 C ATOM 768 C ASN A 55 9.697 3.093 5.173 1.00 0.00 C ATOM 769 O ASN A 55 10.418 4.089 5.107 1.00 0.00 O ATOM 770 CB ASN A 55 9.053 3.562 7.544 1.00 0.00 C ATOM 771 CG ASN A 55 7.846 4.397 7.164 1.00 0.00 C ATOM 772 OD1 ASN A 55 7.955 5.605 6.953 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.686 3.755 7.076 1.00 0.00 N ATOM 0 H ASN A 55 10.850 1.907 7.873 1.00 0.00 H new ATOM 0 HA ASN A 55 8.463 1.845 6.393 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.884 3.107 8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.924 4.210 7.641 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.839 4.265 6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.643 2.753 7.260 1.00 0.00 H new ATOM 780 N LEU A 56 9.178 2.504 4.101 1.00 0.00 N ATOM 781 CA LEU A 56 9.432 3.005 2.754 1.00 0.00 C ATOM 782 C LEU A 56 8.233 3.789 2.230 1.00 0.00 C ATOM 783 O LEU A 56 8.035 3.905 1.021 1.00 0.00 O ATOM 784 CB LEU A 56 9.751 1.846 1.809 1.00 0.00 C ATOM 785 CG LEU A 56 11.028 1.063 2.114 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.966 -0.323 1.491 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.250 1.820 1.615 1.00 0.00 C ATOM 0 H LEU A 56 8.579 1.679 4.138 1.00 0.00 H new ATOM 0 HA LEU A 56 10.290 3.676 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.911 1.151 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.824 2.240 0.795 1.00 0.00 H new ATOM 0 HG LEU A 56 11.112 0.950 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.884 -0.866 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.113 -0.867 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.857 -0.232 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.150 1.248 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.173 1.965 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.304 2.790 2.109 1.00 0.00 H new ATOM 799 N ALA A 57 7.437 4.328 3.148 1.00 0.00 N ATOM 800 CA ALA A 57 6.261 5.105 2.779 1.00 0.00 C ATOM 801 C ALA A 57 6.648 6.336 1.968 1.00 0.00 C ATOM 802 O ALA A 57 7.401 7.189 2.437 1.00 0.00 O ATOM 803 CB ALA A 57 5.485 5.512 4.023 1.00 0.00 C ATOM 0 H ALA A 57 7.586 4.240 4.153 1.00 0.00 H new ATOM 0 HA ALA A 57 5.623 4.478 2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.609 6.092 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.167 4.619 4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.123 6.117 4.668 1.00 0.00 H new ATOM 809 N ASN A 58 6.130 6.422 0.747 1.00 0.00 N ATOM 810 CA ASN A 58 6.423 7.550 -0.130 1.00 0.00 C ATOM 811 C ASN A 58 7.918 7.636 -0.424 1.00 0.00 C ATOM 812 O ASN A 58 8.446 8.712 -0.707 1.00 0.00 O ATOM 813 CB ASN A 58 5.941 8.856 0.504 1.00 0.00 C ATOM 814 CG ASN A 58 4.610 8.697 1.213 1.00 0.00 C ATOM 815 OD1 ASN A 58 3.564 8.574 0.574 1.00 0.00 O ATOM 816 ND2 ASN A 58 4.643 8.699 2.541 1.00 0.00 N ATOM 0 H ASN A 58 5.505 5.724 0.342 1.00 0.00 H new ATOM 0 HA ASN A 58 5.894 7.394 -1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.688 9.209 1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.849 9.620 -0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.779 8.596 3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.533 8.804 3.029 1.00 0.00 H new ATOM 823 N LYS A 59 8.596 6.495 -0.355 1.00 0.00 N ATOM 824 CA LYS A 59 10.029 6.439 -0.615 1.00 0.00 C ATOM 825 C LYS A 59 10.339 5.465 -1.747 1.00 0.00 C ATOM 826 O LYS A 59 9.432 4.907 -2.364 1.00 0.00 O ATOM 827 CB LYS A 59 10.782 6.024 0.651 1.00 0.00 C ATOM 828 CG LYS A 59 10.718 7.056 1.763 1.00 0.00 C ATOM 829 CD LYS A 59 11.463 6.588 3.002 1.00 0.00 C ATOM 830 CE LYS A 59 12.953 6.440 2.734 1.00 0.00 C ATOM 831 NZ LYS A 59 13.761 6.640 3.969 1.00 0.00 N ATOM 0 H LYS A 59 8.175 5.596 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 59 10.358 7.434 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.371 5.083 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.826 5.839 0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.146 7.996 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.677 7.255 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.307 7.300 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.055 5.633 3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.152 5.449 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.260 7.163 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.771 6.531 3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.591 7.595 4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.487 5.934 4.682 1.00 0.00 H new ATOM 845 N ARG A 60 11.626 5.263 -2.012 1.00 0.00 N ATOM 846 CA ARG A 60 12.055 4.355 -3.069 1.00 0.00 C ATOM 847 C ARG A 60 11.923 2.902 -2.624 1.00 0.00 C ATOM 848 O ARG A 60 12.241 2.559 -1.486 1.00 0.00 O ATOM 849 CB ARG A 60 13.503 4.649 -3.466 1.00 0.00 C ATOM 850 CG ARG A 60 13.893 4.070 -4.817 1.00 0.00 C ATOM 851 CD ARG A 60 13.465 4.980 -5.957 1.00 0.00 C ATOM 852 NE ARG A 60 13.935 4.493 -7.252 1.00 0.00 N ATOM 853 CZ ARG A 60 13.353 3.504 -7.920 1.00 0.00 C ATOM 854 NH1 ARG A 60 12.285 2.899 -7.419 1.00 0.00 N ATOM 855 NH2 ARG A 60 13.840 3.117 -9.093 1.00 0.00 N ATOM 0 H ARG A 60 12.389 5.716 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 60 11.409 4.512 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.654 5.728 -3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.169 4.248 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.972 3.923 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.433 3.089 -4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.378 5.056 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.853 5.984 -5.785 1.00 0.00 H new ATOM 0 HE ARG A 60 14.755 4.937 -7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.908 3.193 -6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.840 2.140 -7.935 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.662 3.580 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.392 2.357 -9.605 1.00 0.00 H new ATOM 869 N PHE A 61 11.451 2.052 -3.530 1.00 0.00 N ATOM 870 CA PHE A 61 11.275 0.635 -3.231 1.00 0.00 C ATOM 871 C PHE A 61 11.528 -0.218 -4.471 1.00 0.00 C ATOM 872 O PHE A 61 11.738 0.304 -5.565 1.00 0.00 O ATOM 873 CB PHE A 61 9.864 0.376 -2.698 1.00 0.00 C ATOM 874 CG PHE A 61 8.779 0.758 -3.664 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.388 2.080 -3.799 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.151 -0.205 -4.436 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.390 2.434 -4.687 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.151 0.143 -5.326 1.00 0.00 C ATOM 879 CZ PHE A 61 6.771 1.465 -5.452 1.00 0.00 C ATOM 0 H PHE A 61 11.183 2.319 -4.477 1.00 0.00 H new ATOM 0 HA PHE A 61 12.001 0.357 -2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 61 9.765 -0.681 -2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.727 0.932 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.868 2.842 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.445 -1.240 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.094 3.468 -4.783 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.668 -0.618 -5.921 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.992 1.740 -6.147 1.00 0.00 H new ATOM 889 N VAL A 62 11.506 -1.535 -4.290 1.00 0.00 N ATOM 890 CA VAL A 62 11.731 -2.462 -5.393 1.00 0.00 C ATOM 891 C VAL A 62 10.761 -3.636 -5.331 1.00 0.00 C ATOM 892 O VAL A 62 10.894 -4.522 -4.486 1.00 0.00 O ATOM 893 CB VAL A 62 13.174 -3.001 -5.386 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.386 -3.973 -6.536 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.171 -1.855 -5.455 1.00 0.00 C ATOM 0 H VAL A 62 11.335 -1.984 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 62 11.563 -1.905 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 62 13.338 -3.539 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.411 -4.343 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.695 -4.810 -6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.204 -3.463 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.185 -2.254 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.010 -1.287 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.034 -1.201 -4.594 1.00 0.00 H new ATOM 905 N PHE A 63 9.784 -3.637 -6.232 1.00 0.00 N ATOM 906 CA PHE A 63 8.790 -4.702 -6.280 1.00 0.00 C ATOM 907 C PHE A 63 9.403 -5.995 -6.811 1.00 0.00 C ATOM 908 O PHE A 63 9.931 -6.033 -7.923 1.00 0.00 O ATOM 909 CB PHE A 63 7.608 -4.286 -7.158 1.00 0.00 C ATOM 910 CG PHE A 63 6.319 -4.965 -6.790 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.816 -4.873 -5.502 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.611 -5.694 -7.732 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.631 -5.496 -5.161 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.425 -6.319 -7.396 1.00 0.00 C ATOM 915 CZ PHE A 63 3.934 -6.220 -6.109 1.00 0.00 C ATOM 0 H PHE A 63 9.660 -2.912 -6.939 1.00 0.00 H new ATOM 0 HA PHE A 63 8.435 -4.879 -5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.474 -3.207 -7.086 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.843 -4.509 -8.199 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.356 -4.308 -4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.990 -5.775 -8.740 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.250 -5.417 -4.154 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.883 -6.884 -8.139 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.007 -6.707 -5.844 1.00 0.00 H new ATOM 925 N HIS A 64 9.329 -7.051 -6.009 1.00 0.00 N ATOM 926 CA HIS A 64 9.876 -8.346 -6.397 1.00 0.00 C ATOM 927 C HIS A 64 9.120 -9.483 -5.716 1.00 0.00 C ATOM 928 O HIS A 64 8.867 -9.438 -4.512 1.00 0.00 O ATOM 929 CB HIS A 64 11.362 -8.423 -6.042 1.00 0.00 C ATOM 930 CG HIS A 64 12.120 -9.429 -6.852 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.219 -9.368 -8.226 1.00 0.00 N ATOM 932 CD2 HIS A 64 12.819 -10.524 -6.474 1.00 0.00 C ATOM 933 CE1 HIS A 64 12.945 -10.384 -8.659 1.00 0.00 C ATOM 934 NE2 HIS A 64 13.322 -11.100 -7.615 1.00 0.00 N ATOM 0 H HIS A 64 8.895 -7.036 -5.086 1.00 0.00 H new ATOM 0 HA HIS A 64 9.761 -8.452 -7.476 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.812 -7.441 -6.184 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.462 -8.670 -4.985 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.956 -10.879 -5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.188 -10.593 -9.690 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.894 -11.944 -7.650 1.00 0.00 H new ATOM 942 N GLN A 65 8.760 -10.498 -6.495 1.00 0.00 N ATOM 943 CA GLN A 65 8.030 -11.644 -5.966 1.00 0.00 C ATOM 944 C GLN A 65 6.753 -11.199 -5.261 1.00 0.00 C ATOM 945 O GLN A 65 6.427 -11.689 -4.181 1.00 0.00 O ATOM 946 CB GLN A 65 8.912 -12.434 -4.997 1.00 0.00 C ATOM 947 CG GLN A 65 10.142 -13.042 -5.652 1.00 0.00 C ATOM 948 CD GLN A 65 9.832 -14.325 -6.397 1.00 0.00 C ATOM 949 OE1 GLN A 65 8.677 -14.742 -6.485 1.00 0.00 O ATOM 950 NE2 GLN A 65 10.866 -14.960 -6.939 1.00 0.00 N ATOM 0 H GLN A 65 8.962 -10.550 -7.494 1.00 0.00 H new ATOM 0 HA GLN A 65 7.756 -12.286 -6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.229 -11.776 -4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.320 -13.230 -4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.575 -12.320 -6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.894 -13.242 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.807 -14.578 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.719 -15.829 -7.452 1.00 0.00 H new ATOM 959 N GLU A 66 6.035 -10.267 -5.881 1.00 0.00 N ATOM 960 CA GLU A 66 4.794 -9.756 -5.311 1.00 0.00 C ATOM 961 C GLU A 66 5.025 -9.212 -3.904 1.00 0.00 C ATOM 962 O GLU A 66 4.138 -9.271 -3.053 1.00 0.00 O ATOM 963 CB GLU A 66 3.731 -10.856 -5.277 1.00 0.00 C ATOM 964 CG GLU A 66 3.390 -11.415 -6.648 1.00 0.00 C ATOM 965 CD GLU A 66 2.064 -12.150 -6.665 1.00 0.00 C ATOM 966 OE1 GLU A 66 1.017 -11.481 -6.795 1.00 0.00 O ATOM 967 OE2 GLU A 66 2.072 -13.393 -6.547 1.00 0.00 O ATOM 0 H GLU A 66 6.291 -9.851 -6.777 1.00 0.00 H new ATOM 0 HA GLU A 66 4.442 -8.941 -5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.081 -11.668 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.824 -10.460 -4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.359 -10.600 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.181 -12.093 -6.967 1.00 0.00 H new ATOM 974 N GLN A 67 6.222 -8.685 -3.669 1.00 0.00 N ATOM 975 CA GLN A 67 6.570 -8.132 -2.365 1.00 0.00 C ATOM 976 C GLN A 67 7.294 -6.799 -2.515 1.00 0.00 C ATOM 977 O GLN A 67 7.576 -6.355 -3.628 1.00 0.00 O ATOM 978 CB GLN A 67 7.444 -9.117 -1.587 1.00 0.00 C ATOM 979 CG GLN A 67 6.649 -10.128 -0.777 1.00 0.00 C ATOM 980 CD GLN A 67 7.490 -11.306 -0.327 1.00 0.00 C ATOM 981 OE1 GLN A 67 8.498 -11.639 -0.952 1.00 0.00 O ATOM 982 NE2 GLN A 67 7.080 -11.946 0.762 1.00 0.00 N ATOM 0 H GLN A 67 6.967 -8.629 -4.364 1.00 0.00 H new ATOM 0 HA GLN A 67 5.646 -7.962 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.087 -9.650 -2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.097 -8.559 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.225 -9.634 0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.813 -10.491 -1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.239 -11.636 1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.606 -12.747 1.111 1.00 0.00 H new ATOM 991 N VAL A 68 7.593 -6.163 -1.386 1.00 0.00 N ATOM 992 CA VAL A 68 8.286 -4.880 -1.392 1.00 0.00 C ATOM 993 C VAL A 68 9.639 -4.983 -0.698 1.00 0.00 C ATOM 994 O VAL A 68 9.745 -5.529 0.401 1.00 0.00 O ATOM 995 CB VAL A 68 7.449 -3.788 -0.700 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.147 -2.439 -0.796 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.056 -3.720 -1.308 1.00 0.00 C ATOM 0 H VAL A 68 7.366 -6.515 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 68 8.436 -4.606 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 68 7.349 -4.045 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.541 -1.680 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.121 -2.498 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.279 -2.172 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.478 -2.943 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.134 -3.487 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.557 -4.681 -1.183 1.00 0.00 H new ATOM 1007 N TYR A 69 10.672 -4.456 -1.346 1.00 0.00 N ATOM 1008 CA TYR A 69 12.020 -4.490 -0.792 1.00 0.00 C ATOM 1009 C TYR A 69 12.778 -3.208 -1.123 1.00 0.00 C ATOM 1010 O TYR A 69 12.951 -2.859 -2.291 1.00 0.00 O ATOM 1011 CB TYR A 69 12.784 -5.701 -1.330 1.00 0.00 C ATOM 1012 CG TYR A 69 12.203 -7.027 -0.894 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.495 -7.557 0.357 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.363 -7.749 -1.732 1.00 0.00 C ATOM 1015 CE1 TYR A 69 11.967 -8.769 0.760 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.829 -8.960 -1.337 1.00 0.00 C ATOM 1017 CZ TYR A 69 11.134 -9.466 -0.090 1.00 0.00 C ATOM 1018 OH TYR A 69 10.606 -10.673 0.306 1.00 0.00 O ATOM 0 H TYR A 69 10.601 -4.000 -2.256 1.00 0.00 H new ATOM 0 HA TYR A 69 11.938 -4.572 0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.794 -5.659 -2.419 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.821 -5.642 -0.999 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.145 -7.013 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 69 11.123 -7.357 -2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.205 -9.168 1.735 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.176 -9.508 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 69 10.040 -11.033 -0.408 1.00 0.00 H new ATOM 1028 N CYS A 70 13.229 -2.510 -0.086 1.00 0.00 N ATOM 1029 CA CYS A 70 13.968 -1.266 -0.263 1.00 0.00 C ATOM 1030 C CYS A 70 15.116 -1.453 -1.252 1.00 0.00 C ATOM 1031 O CYS A 70 15.577 -2.566 -1.503 1.00 0.00 O ATOM 1032 CB CYS A 70 14.512 -0.775 1.080 1.00 0.00 C ATOM 1033 SG CYS A 70 15.332 -2.068 2.067 1.00 0.00 S ATOM 0 H CYS A 70 13.095 -2.785 0.887 1.00 0.00 H new ATOM 0 HA CYS A 70 13.283 -0.519 -0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.221 0.033 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.691 -0.355 1.661 1.00 0.00 H new ATOM 0 HG CYS A 70 14.479 -3.010 2.342 1.00 0.00 H new ATOM 1038 N PRO A 71 15.590 -0.337 -1.825 1.00 0.00 N ATOM 1039 CA PRO A 71 16.690 -0.350 -2.794 1.00 0.00 C ATOM 1040 C PRO A 71 17.873 -1.185 -2.316 1.00 0.00 C ATOM 1041 O PRO A 71 18.539 -1.848 -3.112 1.00 0.00 O ATOM 1042 CB PRO A 71 17.085 1.125 -2.902 1.00 0.00 C ATOM 1043 CG PRO A 71 15.851 1.875 -2.541 1.00 0.00 C ATOM 1044 CD PRO A 71 15.088 1.025 -1.572 1.00 0.00 C ATOM 0 HA PRO A 71 16.392 -0.796 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 71 17.906 1.365 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.418 1.373 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.102 2.838 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.252 2.081 -3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.269 1.333 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.013 1.093 -1.741 1.00 0.00 H new ATOM 1052 N ASP A 72 18.128 -1.149 -1.013 1.00 0.00 N ATOM 1053 CA ASP A 72 19.231 -1.905 -0.429 1.00 0.00 C ATOM 1054 C ASP A 72 18.952 -3.404 -0.484 1.00 0.00 C ATOM 1055 O ASP A 72 19.607 -4.141 -1.221 1.00 0.00 O ATOM 1056 CB ASP A 72 19.465 -1.470 1.018 1.00 0.00 C ATOM 1057 CG ASP A 72 20.802 -1.941 1.556 1.00 0.00 C ATOM 1058 OD1 ASP A 72 21.062 -3.161 1.510 1.00 0.00 O ATOM 1059 OD2 ASP A 72 21.587 -1.090 2.023 1.00 0.00 O ATOM 0 H ASP A 72 17.587 -0.605 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 72 20.129 -1.699 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.414 -0.383 1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.665 -1.863 1.646 1.00 0.00 H new ATOM 1064 N CYS A 73 17.976 -3.848 0.301 1.00 0.00 N ATOM 1065 CA CYS A 73 17.611 -5.258 0.343 1.00 0.00 C ATOM 1066 C CYS A 73 17.374 -5.802 -1.063 1.00 0.00 C ATOM 1067 O CYS A 73 17.657 -6.965 -1.346 1.00 0.00 O ATOM 1068 CB CYS A 73 16.356 -5.456 1.197 1.00 0.00 C ATOM 1069 SG CYS A 73 16.663 -5.411 2.992 1.00 0.00 S ATOM 0 H CYS A 73 17.424 -3.251 0.917 1.00 0.00 H new ATOM 0 HA CYS A 73 18.438 -5.808 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.631 -4.682 0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.903 -6.413 0.941 1.00 0.00 H new ATOM 0 HG CYS A 73 15.896 -4.516 3.541 1.00 0.00 H new ATOM 1074 N ALA A 74 16.852 -4.950 -1.940 1.00 0.00 N ATOM 1075 CA ALA A 74 16.579 -5.344 -3.317 1.00 0.00 C ATOM 1076 C ALA A 74 17.813 -5.960 -3.966 1.00 0.00 C ATOM 1077 O ALA A 74 17.708 -6.891 -4.765 1.00 0.00 O ATOM 1078 CB ALA A 74 16.099 -4.146 -4.122 1.00 0.00 C ATOM 0 H ALA A 74 16.610 -3.984 -1.722 1.00 0.00 H new ATOM 0 HA ALA A 74 15.793 -6.099 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.899 -4.454 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.186 -3.751 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.868 -3.374 -4.118 1.00 0.00 H new ATOM 1084 N LYS A 75 18.983 -5.435 -3.620 1.00 0.00 N ATOM 1085 CA LYS A 75 20.239 -5.933 -4.169 1.00 0.00 C ATOM 1086 C LYS A 75 20.483 -7.378 -3.744 1.00 0.00 C ATOM 1087 O LYS A 75 21.092 -8.157 -4.477 1.00 0.00 O ATOM 1088 CB LYS A 75 21.404 -5.052 -3.713 1.00 0.00 C ATOM 1089 CG LYS A 75 21.198 -3.575 -4.000 1.00 0.00 C ATOM 1090 CD LYS A 75 22.130 -2.710 -3.167 1.00 0.00 C ATOM 1091 CE LYS A 75 23.151 -1.993 -4.038 1.00 0.00 C ATOM 1092 NZ LYS A 75 24.456 -1.828 -3.340 1.00 0.00 N ATOM 0 H LYS A 75 19.088 -4.664 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 75 20.170 -5.899 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.554 -5.188 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.316 -5.386 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.370 -3.382 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.163 -3.303 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.547 -1.977 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.646 -3.330 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.301 -2.555 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.764 -1.014 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.125 -1.335 -3.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.318 -1.270 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.838 -2.763 -3.093 1.00 0.00 H new ATOM 1106 N LYS A 76 20.003 -7.729 -2.556 1.00 0.00 N ATOM 1107 CA LYS A 76 20.166 -9.081 -2.034 1.00 0.00 C ATOM 1108 C LYS A 76 19.339 -10.078 -2.839 1.00 0.00 C ATOM 1109 O LYS A 76 19.689 -11.256 -2.934 1.00 0.00 O ATOM 1110 CB LYS A 76 19.755 -9.133 -0.560 1.00 0.00 C ATOM 1111 CG LYS A 76 20.264 -7.957 0.255 1.00 0.00 C ATOM 1112 CD LYS A 76 20.059 -8.181 1.744 1.00 0.00 C ATOM 1113 CE LYS A 76 18.588 -8.367 2.083 1.00 0.00 C ATOM 1114 NZ LYS A 76 18.341 -8.280 3.548 1.00 0.00 N ATOM 0 H LYS A 76 19.498 -7.096 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 76 21.218 -9.354 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.667 -9.165 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.128 -10.058 -0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.324 -7.804 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.746 -7.049 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.620 -9.060 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.457 -7.331 2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.998 -7.608 1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.250 -9.336 1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.040 -9.209 3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.215 -7.991 4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.595 -7.579 3.733 1.00 0.00 H new ATOM 1128 N LEU A 77 18.243 -9.601 -3.417 1.00 0.00 N ATOM 1129 CA LEU A 77 17.367 -10.451 -4.216 1.00 0.00 C ATOM 1130 C LEU A 77 18.076 -10.927 -5.480 1.00 0.00 C ATOM 1131 O LEU A 77 17.960 -12.089 -5.868 1.00 0.00 O ATOM 1132 CB LEU A 77 16.090 -9.695 -4.587 1.00 0.00 C ATOM 1133 CG LEU A 77 15.433 -8.895 -3.462 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.223 -8.136 -3.984 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.035 -9.814 -2.316 1.00 0.00 C ATOM 0 H LEU A 77 17.939 -8.630 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 77 17.104 -11.324 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.321 -9.012 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.364 -10.413 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 77 16.156 -8.171 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.768 -7.572 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.536 -7.449 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.497 -8.842 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.569 -9.227 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.329 -10.561 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.922 -10.312 -1.924 1.00 0.00 H new