USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 761 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 98 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 101 SER OG : rot -177:sc= 0.00184 USER MOD Set 2.1: A 85 GLN : amide:sc=-4.32e-05 K(o=-0.29,f=-1.9) USER MOD Set 2.2: A 89 HIS : no HD1:sc= -0.294 K(o=-0.29,f=-3.5!) USER MOD Set 3.1: A 36 GLN : amide:sc= -2.24! C(o=-2.2!,f=-3.7!) USER MOD Set 3.2: A 57 SER OG : rot -130:sc= 0 USER MOD Set 4.1: A 35 LYS NZ :NH3+ 172:sc= 0.943 (180deg=0.829) USER MOD Set 4.2: A 107 ASN : amide:sc= -1.54 K(o=-0.59,f=-3.3) USER MOD Single : A 17 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.55) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.155 K(o=-0.15,f=-2.7!) USER MOD Single : A 30 GLN : amide:sc= 0.00531 X(o=0.0053,f=-0.18) USER MOD Single : A 34 LYS NZ :NH3+ -143:sc= 0.923 (180deg=-0.545!) USER MOD Single : A 44 SER OG : rot 167:sc= 0.129 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -110:sc= -0.149 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.865 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 67 GLN : amide:sc= -0.837 K(o=-0.84,f=-2.3) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.864 K(o=0.86,f=-2.6!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -75:sc= 0.8 USER MOD Single : A 93 THR OG1 : rot -96:sc= 1.23 USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.0918 (180deg=-0.539) USER MOD Single : A 95 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.29) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= -0.0128 (180deg=-0.0764) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 5.343 3.795 -14.399 1.00 31.51 N ATOM 204 CA PRO A 13 4.854 4.932 -13.594 1.00 54.44 C ATOM 205 C PRO A 13 3.859 4.498 -12.504 1.00 44.15 C ATOM 206 O PRO A 13 3.206 3.459 -12.625 1.00 32.31 O ATOM 207 CB PRO A 13 4.151 5.813 -14.640 1.00 61.25 C ATOM 208 CG PRO A 13 3.736 4.852 -15.701 1.00 24.02 C ATOM 209 CD PRO A 13 4.864 3.866 -15.793 1.00 4.34 C ATOM 0 HA PRO A 13 5.659 5.431 -13.055 1.00 54.44 H new ATOM 0 HB2 PRO A 13 3.292 6.331 -14.213 1.00 61.25 H new ATOM 0 HB3 PRO A 13 4.821 6.577 -15.034 1.00 61.25 H new ATOM 0 HG2 PRO A 13 2.800 4.358 -15.442 1.00 24.02 H new ATOM 0 HG3 PRO A 13 3.576 5.359 -16.653 1.00 24.02 H new ATOM 0 HD2 PRO A 13 4.526 2.895 -16.155 1.00 4.34 H new ATOM 0 HD3 PRO A 13 5.645 4.206 -16.473 1.00 4.34 H new ATOM 217 N LEU A 14 3.739 5.302 -11.448 1.00 53.51 N ATOM 218 CA LEU A 14 2.792 5.024 -10.358 1.00 15.30 C ATOM 219 C LEU A 14 1.367 4.806 -10.894 1.00 4.20 C ATOM 220 O LEU A 14 0.666 3.886 -10.471 1.00 52.42 O ATOM 221 CB LEU A 14 2.802 6.173 -9.342 1.00 60.13 C ATOM 222 CG LEU A 14 1.822 6.023 -8.163 1.00 51.33 C ATOM 223 CD1 LEU A 14 2.129 4.765 -7.355 1.00 40.33 C ATOM 224 CD2 LEU A 14 1.859 7.266 -7.275 1.00 11.32 C ATOM 0 H LEU A 14 4.285 6.154 -11.320 1.00 53.51 H new ATOM 0 HA LEU A 14 3.110 4.105 -9.865 1.00 15.30 H new ATOM 0 HB2 LEU A 14 3.811 6.273 -8.943 1.00 60.13 H new ATOM 0 HB3 LEU A 14 2.573 7.101 -9.866 1.00 60.13 H new ATOM 0 HG LEU A 14 0.815 5.922 -8.567 1.00 51.33 H new ATOM 0 HD11 LEU A 14 1.423 4.682 -6.529 1.00 40.33 H new ATOM 0 HD12 LEU A 14 2.040 3.889 -7.998 1.00 40.33 H new ATOM 0 HD13 LEU A 14 3.144 4.824 -6.961 1.00 40.33 H new ATOM 0 HD21 LEU A 14 1.161 7.143 -6.447 1.00 11.32 H new ATOM 0 HD22 LEU A 14 2.867 7.403 -6.882 1.00 11.32 H new ATOM 0 HD23 LEU A 14 1.576 8.140 -7.861 1.00 11.32 H new ATOM 236 N ALA A 15 0.960 5.646 -11.843 1.00 11.10 N ATOM 237 CA ALA A 15 -0.371 5.546 -12.456 1.00 33.42 C ATOM 238 C ALA A 15 -0.622 4.171 -13.105 1.00 65.12 C ATOM 239 O ALA A 15 -1.764 3.723 -13.199 1.00 35.31 O ATOM 240 CB ALA A 15 -0.551 6.653 -13.488 1.00 25.13 C ATOM 0 H ALA A 15 1.532 6.408 -12.208 1.00 11.10 H new ATOM 0 HA ALA A 15 -1.104 5.661 -11.658 1.00 33.42 H new ATOM 0 HB1 ALA A 15 -1.540 6.573 -13.939 1.00 25.13 H new ATOM 0 HB2 ALA A 15 -0.451 7.623 -13.002 1.00 25.13 H new ATOM 0 HB3 ALA A 15 0.210 6.555 -14.263 1.00 25.13 H new ATOM 246 N GLU A 16 0.448 3.500 -13.546 1.00 75.10 N ATOM 247 CA GLU A 16 0.327 2.195 -14.224 1.00 4.12 C ATOM 248 C GLU A 16 0.565 1.005 -13.280 1.00 70.32 C ATOM 249 O GLU A 16 0.527 -0.148 -13.715 1.00 51.43 O ATOM 250 CB GLU A 16 1.297 2.108 -15.413 1.00 44.40 C ATOM 251 CG GLU A 16 0.687 2.500 -16.759 1.00 2.43 C ATOM 252 CD GLU A 16 -0.314 1.464 -17.268 1.00 13.42 C ATOM 253 OE1 GLU A 16 0.115 0.501 -17.942 1.00 62.51 O ATOM 254 OE2 GLU A 16 -1.526 1.594 -16.981 1.00 41.32 O ATOM 0 H GLU A 16 1.407 3.834 -13.448 1.00 75.10 H new ATOM 0 HA GLU A 16 -0.701 2.131 -14.579 1.00 4.12 H new ATOM 0 HB2 GLU A 16 2.153 2.753 -15.215 1.00 44.40 H new ATOM 0 HB3 GLU A 16 1.675 1.088 -15.483 1.00 44.40 H new ATOM 0 HG2 GLU A 16 0.190 3.465 -16.662 1.00 2.43 H new ATOM 0 HG3 GLU A 16 1.483 2.624 -17.493 1.00 2.43 H new ATOM 261 N GLN A 17 0.800 1.273 -12.002 1.00 41.54 N ATOM 262 CA GLN A 17 1.023 0.199 -11.032 1.00 25.45 C ATOM 263 C GLN A 17 -0.266 -0.605 -10.787 1.00 70.45 C ATOM 264 O GLN A 17 -1.314 -0.042 -10.476 1.00 51.23 O ATOM 265 CB GLN A 17 1.565 0.769 -9.716 1.00 43.43 C ATOM 266 CG GLN A 17 2.931 1.438 -9.862 1.00 72.40 C ATOM 267 CD GLN A 17 4.019 0.476 -10.321 1.00 74.34 C ATOM 268 OE1 GLN A 17 3.991 -0.713 -10.019 1.00 72.14 O ATOM 269 NE2 GLN A 17 4.989 0.984 -11.060 1.00 61.41 N ATOM 0 H GLN A 17 0.842 2.214 -11.612 1.00 41.54 H new ATOM 0 HA GLN A 17 1.766 -0.482 -11.447 1.00 25.45 H new ATOM 0 HB2 GLN A 17 0.853 1.495 -9.322 1.00 43.43 H new ATOM 0 HB3 GLN A 17 1.639 -0.035 -8.983 1.00 43.43 H new ATOM 0 HG2 GLN A 17 2.853 2.258 -10.576 1.00 72.40 H new ATOM 0 HG3 GLN A 17 3.220 1.875 -8.906 1.00 72.40 H new ATOM 0 HE21 GLN A 17 4.985 1.977 -11.295 1.00 61.41 H new ATOM 0 HE22 GLN A 17 5.742 0.384 -11.396 1.00 61.41 H new ATOM 278 N ASP A 18 -0.169 -1.924 -10.933 1.00 23.23 N ATOM 279 CA ASP A 18 -1.323 -2.828 -10.817 1.00 52.21 C ATOM 280 C ASP A 18 -2.053 -2.691 -9.464 1.00 55.53 C ATOM 281 O ASP A 18 -3.281 -2.772 -9.402 1.00 44.30 O ATOM 282 CB ASP A 18 -0.867 -4.275 -11.047 1.00 61.21 C ATOM 283 CG ASP A 18 0.439 -4.589 -10.335 1.00 30.20 C ATOM 284 OD1 ASP A 18 1.513 -4.236 -10.881 1.00 63.34 O ATOM 285 OD2 ASP A 18 0.406 -5.169 -9.236 1.00 60.00 O ATOM 0 H ASP A 18 0.709 -2.402 -11.135 1.00 23.23 H new ATOM 0 HA ASP A 18 -2.044 -2.545 -11.584 1.00 52.21 H new ATOM 0 HB2 ASP A 18 -1.642 -4.958 -10.698 1.00 61.21 H new ATOM 0 HB3 ASP A 18 -0.746 -4.450 -12.116 1.00 61.21 H new ATOM 290 N TRP A 19 -1.297 -2.481 -8.394 1.00 24.23 N ATOM 291 CA TRP A 19 -1.879 -2.298 -7.056 1.00 44.24 C ATOM 292 C TRP A 19 -2.440 -0.877 -6.843 1.00 60.41 C ATOM 293 O TRP A 19 -3.178 -0.633 -5.888 1.00 51.00 O ATOM 294 CB TRP A 19 -0.840 -2.639 -5.970 1.00 32.11 C ATOM 295 CG TRP A 19 0.556 -2.196 -6.302 1.00 74.20 C ATOM 296 CD1 TRP A 19 1.547 -2.971 -6.832 1.00 65.23 C ATOM 297 CD2 TRP A 19 1.120 -0.887 -6.134 1.00 74.40 C ATOM 298 NE1 TRP A 19 2.686 -2.229 -7.004 1.00 33.51 N ATOM 299 CE2 TRP A 19 2.452 -0.947 -6.582 1.00 40.12 C ATOM 300 CE3 TRP A 19 0.628 0.328 -5.649 1.00 64.53 C ATOM 301 CZ2 TRP A 19 3.297 0.156 -6.559 1.00 23.10 C ATOM 302 CZ3 TRP A 19 1.469 1.424 -5.628 1.00 51.31 C ATOM 303 CH2 TRP A 19 2.791 1.332 -6.080 1.00 1.21 C ATOM 0 H TRP A 19 -0.278 -2.432 -8.419 1.00 24.23 H new ATOM 0 HA TRP A 19 -2.722 -2.985 -6.976 1.00 44.24 H new ATOM 0 HB2 TRP A 19 -1.144 -2.175 -5.032 1.00 32.11 H new ATOM 0 HB3 TRP A 19 -0.840 -3.717 -5.807 1.00 32.11 H new ATOM 0 HD1 TRP A 19 1.448 -4.017 -7.080 1.00 65.23 H new ATOM 0 HE1 TRP A 19 3.566 -2.576 -7.385 1.00 33.51 H new ATOM 0 HE3 TRP A 19 -0.390 0.409 -5.297 1.00 64.53 H new ATOM 0 HZ2 TRP A 19 4.317 0.087 -6.907 1.00 23.10 H new ATOM 0 HZ3 TRP A 19 1.100 2.369 -5.256 1.00 51.31 H new ATOM 0 HH2 TRP A 19 3.423 2.207 -6.050 1.00 1.21 H new ATOM 314 N TYR A 20 -2.106 0.056 -7.732 1.00 73.43 N ATOM 315 CA TYR A 20 -2.595 1.440 -7.618 1.00 54.41 C ATOM 316 C TYR A 20 -3.979 1.604 -8.278 1.00 74.51 C ATOM 317 O TYR A 20 -4.095 1.630 -9.500 1.00 40.34 O ATOM 318 CB TYR A 20 -1.591 2.415 -8.249 1.00 23.52 C ATOM 319 CG TYR A 20 -2.052 3.862 -8.225 1.00 4.32 C ATOM 320 CD1 TYR A 20 -2.069 4.584 -7.037 1.00 1.45 C ATOM 321 CD2 TYR A 20 -2.484 4.500 -9.384 1.00 64.44 C ATOM 322 CE1 TYR A 20 -2.499 5.896 -7.005 1.00 61.31 C ATOM 323 CE2 TYR A 20 -2.914 5.814 -9.358 1.00 33.40 C ATOM 324 CZ TYR A 20 -2.919 6.505 -8.168 1.00 32.03 C ATOM 325 OH TYR A 20 -3.348 7.814 -8.138 1.00 62.32 O ATOM 0 H TYR A 20 -1.503 -0.113 -8.537 1.00 73.43 H new ATOM 0 HA TYR A 20 -2.698 1.670 -6.557 1.00 54.41 H new ATOM 0 HB2 TYR A 20 -0.640 2.336 -7.722 1.00 23.52 H new ATOM 0 HB3 TYR A 20 -1.408 2.118 -9.282 1.00 23.52 H new ATOM 0 HD1 TYR A 20 -1.740 4.111 -6.124 1.00 1.45 H new ATOM 0 HD2 TYR A 20 -2.483 3.960 -10.319 1.00 64.44 H new ATOM 0 HE1 TYR A 20 -2.506 6.442 -6.073 1.00 61.31 H new ATOM 0 HE2 TYR A 20 -3.244 6.295 -10.267 1.00 33.40 H new ATOM 0 HH TYR A 20 -3.609 8.094 -9.040 1.00 62.32 H new ATOM 335 N HIS A 21 -5.029 1.731 -7.463 1.00 1.01 N ATOM 336 CA HIS A 21 -6.402 1.816 -7.987 1.00 63.31 C ATOM 337 C HIS A 21 -6.905 3.265 -8.122 1.00 70.13 C ATOM 338 O HIS A 21 -7.784 3.692 -7.381 1.00 33.12 O ATOM 339 CB HIS A 21 -7.365 0.997 -7.117 1.00 30.23 C ATOM 340 CG HIS A 21 -7.211 -0.488 -7.263 1.00 11.24 C ATOM 341 ND1 HIS A 21 -8.229 -1.308 -7.699 1.00 1.23 N ATOM 342 CD2 HIS A 21 -6.160 -1.304 -7.012 1.00 21.14 C ATOM 343 CE1 HIS A 21 -7.815 -2.558 -7.705 1.00 32.24 C ATOM 344 NE2 HIS A 21 -6.562 -2.585 -7.295 1.00 1.44 N ATOM 0 H HIS A 21 -4.961 1.777 -6.446 1.00 1.01 H new ATOM 0 HA HIS A 21 -6.376 1.395 -8.992 1.00 63.31 H new ATOM 0 HB2 HIS A 21 -7.212 1.266 -6.072 1.00 30.23 H new ATOM 0 HB3 HIS A 21 -8.389 1.272 -7.370 1.00 30.23 H new ATOM 0 HD2 HIS A 21 -5.186 -1.003 -6.655 1.00 21.14 H new ATOM 0 HE1 HIS A 21 -8.402 -3.416 -7.996 1.00 32.24 H new ATOM 0 HE2 HIS A 21 -5.986 -3.422 -7.203 1.00 1.44 H new ATOM 353 N GLY A 22 -6.262 4.015 -9.019 1.00 15.43 N ATOM 354 CA GLY A 22 -6.786 5.288 -9.544 1.00 53.21 C ATOM 355 C GLY A 22 -7.672 6.117 -8.604 1.00 52.24 C ATOM 356 O GLY A 22 -8.755 6.549 -8.996 1.00 63.40 O ATOM 0 H GLY A 22 -5.355 3.758 -9.408 1.00 15.43 H new ATOM 0 HA2 GLY A 22 -5.939 5.905 -9.843 1.00 53.21 H new ATOM 0 HA3 GLY A 22 -7.358 5.073 -10.446 1.00 53.21 H new ATOM 360 N ALA A 23 -7.213 6.338 -7.373 1.00 12.25 N ATOM 361 CA ALA A 23 -7.898 7.241 -6.429 1.00 10.22 C ATOM 362 C ALA A 23 -9.359 6.837 -6.143 1.00 2.44 C ATOM 363 O ALA A 23 -10.209 7.702 -5.919 1.00 23.13 O ATOM 364 CB ALA A 23 -7.841 8.676 -6.950 1.00 45.43 C ATOM 0 H ALA A 23 -6.368 5.906 -6.999 1.00 12.25 H new ATOM 0 HA ALA A 23 -7.367 7.163 -5.480 1.00 10.22 H new ATOM 0 HB1 ALA A 23 -8.349 9.338 -6.249 1.00 45.43 H new ATOM 0 HB2 ALA A 23 -6.801 8.985 -7.053 1.00 45.43 H new ATOM 0 HB3 ALA A 23 -8.333 8.730 -7.921 1.00 45.43 H new ATOM 370 N ILE A 24 -9.647 5.535 -6.125 1.00 22.41 N ATOM 371 CA ILE A 24 -11.000 5.047 -5.812 1.00 50.02 C ATOM 372 C ILE A 24 -11.419 5.392 -4.363 1.00 60.04 C ATOM 373 O ILE A 24 -10.571 5.667 -3.513 1.00 30.23 O ATOM 374 CB ILE A 24 -11.111 3.511 -6.021 1.00 21.41 C ATOM 375 CG1 ILE A 24 -10.187 2.755 -5.045 1.00 22.22 C ATOM 376 CG2 ILE A 24 -10.789 3.150 -7.469 1.00 61.21 C ATOM 377 CD1 ILE A 24 -10.345 1.248 -5.099 1.00 12.44 C ATOM 0 H ILE A 24 -8.969 4.799 -6.322 1.00 22.41 H new ATOM 0 HA ILE A 24 -11.675 5.554 -6.501 1.00 50.02 H new ATOM 0 HB ILE A 24 -12.136 3.207 -5.810 1.00 21.41 H new ATOM 0 HG12 ILE A 24 -9.151 3.011 -5.268 1.00 22.22 H new ATOM 0 HG13 ILE A 24 -10.389 3.096 -4.030 1.00 22.22 H new ATOM 0 HG21 ILE A 24 -10.870 2.071 -7.602 1.00 61.21 H new ATOM 0 HG22 ILE A 24 -11.492 3.652 -8.134 1.00 61.21 H new ATOM 0 HG23 ILE A 24 -9.774 3.469 -7.707 1.00 61.21 H new ATOM 0 HD11 ILE A 24 -9.663 0.785 -4.386 1.00 12.44 H new ATOM 0 HD12 ILE A 24 -11.371 0.980 -4.847 1.00 12.44 H new ATOM 0 HD13 ILE A 24 -10.114 0.894 -6.104 1.00 12.44 H new ATOM 389 N PRO A 25 -12.738 5.405 -4.069 1.00 62.41 N ATOM 390 CA PRO A 25 -13.249 5.661 -2.701 1.00 23.15 C ATOM 391 C PRO A 25 -12.775 4.626 -1.656 1.00 73.24 C ATOM 392 O PRO A 25 -12.498 3.468 -1.988 1.00 51.05 O ATOM 393 CB PRO A 25 -14.777 5.581 -2.873 1.00 61.20 C ATOM 394 CG PRO A 25 -15.015 5.818 -4.326 1.00 52.23 C ATOM 395 CD PRO A 25 -13.837 5.210 -5.035 1.00 21.14 C ATOM 0 HA PRO A 25 -12.885 6.615 -2.319 1.00 23.15 H new ATOM 0 HB2 PRO A 25 -15.158 4.608 -2.564 1.00 61.20 H new ATOM 0 HB3 PRO A 25 -15.283 6.330 -2.263 1.00 61.20 H new ATOM 0 HG2 PRO A 25 -15.948 5.357 -4.650 1.00 52.23 H new ATOM 0 HG3 PRO A 25 -15.094 6.884 -4.541 1.00 52.23 H new ATOM 0 HD2 PRO A 25 -13.999 4.155 -5.256 1.00 21.14 H new ATOM 0 HD3 PRO A 25 -13.635 5.707 -5.984 1.00 21.14 H new ATOM 403 N ARG A 26 -12.706 5.050 -0.388 1.00 51.50 N ATOM 404 CA ARG A 26 -12.299 4.165 0.719 1.00 54.31 C ATOM 405 C ARG A 26 -13.144 2.887 0.759 1.00 34.50 C ATOM 406 O ARG A 26 -12.621 1.788 0.956 1.00 2.11 O ATOM 407 CB ARG A 26 -12.431 4.892 2.067 1.00 3.12 C ATOM 408 CG ARG A 26 -12.028 4.037 3.270 1.00 73.22 C ATOM 409 CD ARG A 26 -12.398 4.693 4.598 1.00 40.33 C ATOM 410 NE ARG A 26 -13.848 4.857 4.751 1.00 60.14 N ATOM 411 CZ ARG A 26 -14.533 4.451 5.789 1.00 50.24 C ATOM 412 NH1 ARG A 26 -13.954 3.818 6.759 1.00 51.01 N ATOM 413 NH2 ARG A 26 -15.805 4.674 5.850 1.00 3.23 N ATOM 0 H ARG A 26 -12.927 6.003 -0.099 1.00 51.50 H new ATOM 0 HA ARG A 26 -11.258 3.892 0.545 1.00 54.31 H new ATOM 0 HB2 ARG A 26 -11.813 5.790 2.047 1.00 3.12 H new ATOM 0 HB3 ARG A 26 -13.463 5.218 2.194 1.00 3.12 H new ATOM 0 HG2 ARG A 26 -12.514 3.064 3.200 1.00 73.22 H new ATOM 0 HG3 ARG A 26 -10.953 3.859 3.242 1.00 73.22 H new ATOM 0 HD2 ARG A 26 -12.014 4.088 5.419 1.00 40.33 H new ATOM 0 HD3 ARG A 26 -11.915 5.668 4.667 1.00 40.33 H new ATOM 0 HE ARG A 26 -14.356 5.319 3.997 1.00 60.14 H new ATOM 0 HH11 ARG A 26 -12.952 3.631 6.719 1.00 51.01 H new ATOM 0 HH12 ARG A 26 -14.500 3.507 7.563 1.00 51.01 H new ATOM 0 HH21 ARG A 26 -16.274 5.166 5.089 1.00 3.23 H new ATOM 0 HH22 ARG A 26 -16.340 4.358 6.659 1.00 3.23 H new ATOM 427 N ILE A 27 -14.455 3.046 0.593 1.00 23.11 N ATOM 428 CA ILE A 27 -15.373 1.907 0.578 1.00 30.21 C ATOM 429 C ILE A 27 -14.966 0.886 -0.496 1.00 15.54 C ATOM 430 O ILE A 27 -14.693 -0.271 -0.190 1.00 33.23 O ATOM 431 CB ILE A 27 -16.837 2.359 0.336 1.00 61.14 C ATOM 432 CG1 ILE A 27 -17.284 3.334 1.441 1.00 61.12 C ATOM 433 CG2 ILE A 27 -17.775 1.153 0.265 1.00 45.04 C ATOM 434 CD1 ILE A 27 -18.702 3.837 1.282 1.00 50.15 C ATOM 0 H ILE A 27 -14.907 3.952 0.467 1.00 23.11 H new ATOM 0 HA ILE A 27 -15.313 1.436 1.559 1.00 30.21 H new ATOM 0 HB ILE A 27 -16.884 2.877 -0.622 1.00 61.14 H new ATOM 0 HG12 ILE A 27 -17.192 2.839 2.407 1.00 61.12 H new ATOM 0 HG13 ILE A 27 -16.606 4.187 1.454 1.00 61.12 H new ATOM 0 HG21 ILE A 27 -18.796 1.495 0.095 1.00 45.04 H new ATOM 0 HG22 ILE A 27 -17.469 0.502 -0.554 1.00 45.04 H new ATOM 0 HG23 ILE A 27 -17.729 0.601 1.204 1.00 45.04 H new ATOM 0 HD11 ILE A 27 -18.940 4.518 2.099 1.00 50.15 H new ATOM 0 HD12 ILE A 27 -18.797 4.363 0.332 1.00 50.15 H new ATOM 0 HD13 ILE A 27 -19.392 2.993 1.300 1.00 50.15 H new ATOM 446 N GLU A 28 -14.885 1.339 -1.746 1.00 1.24 N ATOM 447 CA GLU A 28 -14.489 0.474 -2.867 1.00 2.45 C ATOM 448 C GLU A 28 -13.166 -0.255 -2.585 1.00 31.21 C ATOM 449 O GLU A 28 -12.979 -1.403 -2.990 1.00 13.24 O ATOM 450 CB GLU A 28 -14.368 1.305 -4.152 1.00 60.30 C ATOM 451 CG GLU A 28 -15.665 1.990 -4.568 1.00 70.33 C ATOM 452 CD GLU A 28 -16.788 1.001 -4.848 1.00 54.34 C ATOM 453 OE1 GLU A 28 -16.795 0.403 -5.941 1.00 75.21 O ATOM 454 OE2 GLU A 28 -17.669 0.823 -3.980 1.00 62.12 O ATOM 0 H GLU A 28 -15.088 2.302 -2.013 1.00 1.24 H new ATOM 0 HA GLU A 28 -15.263 -0.283 -2.993 1.00 2.45 H new ATOM 0 HB2 GLU A 28 -13.597 2.063 -4.012 1.00 60.30 H new ATOM 0 HB3 GLU A 28 -14.035 0.657 -4.962 1.00 60.30 H new ATOM 0 HG2 GLU A 28 -15.978 2.675 -3.780 1.00 70.33 H new ATOM 0 HG3 GLU A 28 -15.484 2.590 -5.460 1.00 70.33 H new ATOM 461 N ALA A 29 -12.261 0.415 -1.874 1.00 4.41 N ATOM 462 CA ALA A 29 -10.973 -0.178 -1.505 1.00 32.23 C ATOM 463 C ALA A 29 -11.153 -1.422 -0.621 1.00 55.23 C ATOM 464 O ALA A 29 -10.552 -2.463 -0.874 1.00 55.33 O ATOM 465 CB ALA A 29 -10.097 0.854 -0.803 1.00 61.24 C ATOM 0 H ALA A 29 -12.394 1.370 -1.541 1.00 4.41 H new ATOM 0 HA ALA A 29 -10.479 -0.497 -2.423 1.00 32.23 H new ATOM 0 HB1 ALA A 29 -9.143 0.400 -0.535 1.00 61.24 H new ATOM 0 HB2 ALA A 29 -9.922 1.697 -1.471 1.00 61.24 H new ATOM 0 HB3 ALA A 29 -10.599 1.204 0.099 1.00 61.24 H new ATOM 471 N GLN A 30 -11.996 -1.316 0.412 1.00 24.32 N ATOM 472 CA GLN A 30 -12.249 -2.450 1.316 1.00 55.02 C ATOM 473 C GLN A 30 -13.168 -3.500 0.666 1.00 53.24 C ATOM 474 O GLN A 30 -13.109 -4.681 1.008 1.00 41.30 O ATOM 475 CB GLN A 30 -12.859 -1.984 2.647 1.00 31.45 C ATOM 476 CG GLN A 30 -14.231 -1.334 2.514 1.00 4.15 C ATOM 477 CD GLN A 30 -14.934 -1.132 3.846 1.00 12.21 C ATOM 478 OE1 GLN A 30 -14.300 -0.931 4.881 1.00 64.14 O ATOM 479 NE2 GLN A 30 -16.249 -1.203 3.830 1.00 75.31 N ATOM 0 H GLN A 30 -12.511 -0.467 0.644 1.00 24.32 H new ATOM 0 HA GLN A 30 -11.282 -2.911 1.516 1.00 55.02 H new ATOM 0 HB2 GLN A 30 -12.939 -2.841 3.316 1.00 31.45 H new ATOM 0 HB3 GLN A 30 -12.178 -1.275 3.117 1.00 31.45 H new ATOM 0 HG2 GLN A 30 -14.121 -0.369 2.019 1.00 4.15 H new ATOM 0 HG3 GLN A 30 -14.857 -1.952 1.871 1.00 4.15 H new ATOM 0 HE21 GLN A 30 -16.740 -1.371 2.952 1.00 75.31 H new ATOM 0 HE22 GLN A 30 -16.776 -1.090 4.696 1.00 75.31 H new ATOM 488 N GLU A 31 -14.032 -3.062 -0.251 1.00 65.31 N ATOM 489 CA GLU A 31 -14.971 -3.966 -0.931 1.00 2.41 C ATOM 490 C GLU A 31 -14.244 -5.057 -1.738 1.00 23.35 C ATOM 491 O GLU A 31 -14.783 -6.146 -1.946 1.00 32.42 O ATOM 492 CB GLU A 31 -15.909 -3.175 -1.859 1.00 24.43 C ATOM 493 CG GLU A 31 -16.804 -2.163 -1.141 1.00 73.22 C ATOM 494 CD GLU A 31 -17.721 -2.798 -0.108 1.00 71.33 C ATOM 495 OE1 GLU A 31 -18.715 -3.440 -0.507 1.00 74.55 O ATOM 496 OE2 GLU A 31 -17.449 -2.667 1.107 1.00 12.33 O ATOM 0 H GLU A 31 -14.104 -2.087 -0.542 1.00 65.31 H new ATOM 0 HA GLU A 31 -15.557 -4.457 -0.154 1.00 2.41 H new ATOM 0 HB2 GLU A 31 -15.308 -2.648 -2.600 1.00 24.43 H new ATOM 0 HB3 GLU A 31 -16.540 -3.878 -2.402 1.00 24.43 H new ATOM 0 HG2 GLU A 31 -16.177 -1.418 -0.651 1.00 73.22 H new ATOM 0 HG3 GLU A 31 -17.409 -1.636 -1.879 1.00 73.22 H new ATOM 503 N LEU A 32 -13.027 -4.764 -2.195 1.00 70.13 N ATOM 504 CA LEU A 32 -12.251 -5.731 -2.986 1.00 31.20 C ATOM 505 C LEU A 32 -11.247 -6.511 -2.115 1.00 3.31 C ATOM 506 O LEU A 32 -10.459 -7.313 -2.619 1.00 12.10 O ATOM 507 CB LEU A 32 -11.547 -5.007 -4.151 1.00 52.32 C ATOM 508 CG LEU A 32 -10.474 -3.967 -3.770 1.00 31.13 C ATOM 509 CD1 LEU A 32 -9.100 -4.615 -3.660 1.00 63.14 C ATOM 510 CD2 LEU A 32 -10.453 -2.817 -4.778 1.00 3.04 C ATOM 0 H LEU A 32 -12.556 -3.873 -2.035 1.00 70.13 H new ATOM 0 HA LEU A 32 -12.940 -6.468 -3.398 1.00 31.20 H new ATOM 0 HB2 LEU A 32 -11.081 -5.759 -4.788 1.00 52.32 H new ATOM 0 HB3 LEU A 32 -12.308 -4.508 -4.751 1.00 52.32 H new ATOM 0 HG LEU A 32 -10.732 -3.559 -2.793 1.00 31.13 H new ATOM 0 HD11 LEU A 32 -8.362 -3.860 -3.390 1.00 63.14 H new ATOM 0 HD12 LEU A 32 -9.123 -5.389 -2.893 1.00 63.14 H new ATOM 0 HD13 LEU A 32 -8.830 -5.060 -4.618 1.00 63.14 H new ATOM 0 HD21 LEU A 32 -9.689 -2.095 -4.490 1.00 3.04 H new ATOM 0 HD22 LEU A 32 -10.228 -3.207 -5.771 1.00 3.04 H new ATOM 0 HD23 LEU A 32 -11.427 -2.328 -4.793 1.00 3.04 H new ATOM 522 N LEU A 33 -11.299 -6.280 -0.804 1.00 63.43 N ATOM 523 CA LEU A 33 -10.427 -6.969 0.154 1.00 41.14 C ATOM 524 C LEU A 33 -11.172 -8.130 0.830 1.00 12.23 C ATOM 525 O LEU A 33 -12.090 -7.911 1.626 1.00 12.11 O ATOM 526 CB LEU A 33 -9.931 -5.970 1.209 1.00 54.53 C ATOM 527 CG LEU A 33 -9.091 -4.805 0.657 1.00 22.05 C ATOM 528 CD1 LEU A 33 -8.701 -3.836 1.770 1.00 22.32 C ATOM 529 CD2 LEU A 33 -7.852 -5.327 -0.064 1.00 35.13 C ATOM 0 H LEU A 33 -11.942 -5.614 -0.375 1.00 63.43 H new ATOM 0 HA LEU A 33 -9.572 -7.381 -0.382 1.00 41.14 H new ATOM 0 HB2 LEU A 33 -10.794 -5.559 1.733 1.00 54.53 H new ATOM 0 HB3 LEU A 33 -9.337 -6.509 1.947 1.00 54.53 H new ATOM 0 HG LEU A 33 -9.702 -4.261 -0.063 1.00 22.05 H new ATOM 0 HD11 LEU A 33 -8.108 -3.022 1.353 1.00 22.32 H new ATOM 0 HD12 LEU A 33 -9.601 -3.430 2.231 1.00 22.32 H new ATOM 0 HD13 LEU A 33 -8.115 -4.363 2.523 1.00 22.32 H new ATOM 0 HD21 LEU A 33 -7.272 -4.487 -0.446 1.00 35.13 H new ATOM 0 HD22 LEU A 33 -7.241 -5.902 0.632 1.00 35.13 H new ATOM 0 HD23 LEU A 33 -8.156 -5.966 -0.893 1.00 35.13 H new ATOM 541 N LYS A 34 -10.777 -9.368 0.518 1.00 54.25 N ATOM 542 CA LYS A 34 -11.517 -10.551 0.991 1.00 23.21 C ATOM 543 C LYS A 34 -10.617 -11.652 1.589 1.00 25.14 C ATOM 544 O LYS A 34 -11.117 -12.549 2.268 1.00 64.21 O ATOM 545 CB LYS A 34 -12.375 -11.146 -0.146 1.00 51.22 C ATOM 546 CG LYS A 34 -11.606 -11.502 -1.421 1.00 74.42 C ATOM 547 CD LYS A 34 -11.259 -10.264 -2.249 1.00 24.53 C ATOM 548 CE LYS A 34 -10.485 -10.613 -3.515 1.00 14.44 C ATOM 549 NZ LYS A 34 -9.222 -11.332 -3.213 1.00 2.23 N ATOM 0 H LYS A 34 -9.959 -9.580 -0.053 1.00 54.25 H new ATOM 0 HA LYS A 34 -12.156 -10.194 1.799 1.00 23.21 H new ATOM 0 HB2 LYS A 34 -12.869 -12.044 0.224 1.00 51.22 H new ATOM 0 HB3 LYS A 34 -13.159 -10.433 -0.400 1.00 51.22 H new ATOM 0 HG2 LYS A 34 -10.689 -12.029 -1.156 1.00 74.42 H new ATOM 0 HG3 LYS A 34 -12.203 -12.186 -2.025 1.00 74.42 H new ATOM 0 HD2 LYS A 34 -12.177 -9.742 -2.519 1.00 24.53 H new ATOM 0 HD3 LYS A 34 -10.668 -9.578 -1.642 1.00 24.53 H new ATOM 0 HE2 LYS A 34 -11.108 -11.230 -4.162 1.00 14.44 H new ATOM 0 HE3 LYS A 34 -10.260 -9.700 -4.066 1.00 14.44 H new ATOM 0 HZ1 LYS A 34 -8.481 -11.025 -3.875 1.00 2.23 H new ATOM 0 HZ2 LYS A 34 -8.926 -11.119 -2.239 1.00 2.23 H new ATOM 0 HZ3 LYS A 34 -9.373 -12.356 -3.313 1.00 2.23 H new ATOM 563 N LYS A 35 -9.307 -11.613 1.341 1.00 53.25 N ATOM 564 CA LYS A 35 -8.403 -12.639 1.889 1.00 2.34 C ATOM 565 C LYS A 35 -7.045 -12.054 2.320 1.00 52.44 C ATOM 566 O LYS A 35 -6.587 -11.040 1.789 1.00 63.35 O ATOM 567 CB LYS A 35 -8.193 -13.777 0.877 1.00 23.13 C ATOM 568 CG LYS A 35 -7.620 -13.324 -0.459 1.00 34.54 C ATOM 569 CD LYS A 35 -7.370 -14.495 -1.404 1.00 51.14 C ATOM 570 CE LYS A 35 -6.834 -14.028 -2.752 1.00 44.54 C ATOM 571 NZ LYS A 35 -5.565 -13.269 -2.616 1.00 75.33 N ATOM 0 H LYS A 35 -8.849 -10.898 0.775 1.00 53.25 H new ATOM 0 HA LYS A 35 -8.884 -13.039 2.782 1.00 2.34 H new ATOM 0 HB2 LYS A 35 -7.524 -14.518 1.314 1.00 23.13 H new ATOM 0 HB3 LYS A 35 -9.148 -14.273 0.701 1.00 23.13 H new ATOM 0 HG2 LYS A 35 -8.308 -12.621 -0.928 1.00 34.54 H new ATOM 0 HG3 LYS A 35 -6.685 -12.790 -0.289 1.00 34.54 H new ATOM 0 HD2 LYS A 35 -6.659 -15.184 -0.949 1.00 51.14 H new ATOM 0 HD3 LYS A 35 -8.298 -15.047 -1.553 1.00 51.14 H new ATOM 0 HE2 LYS A 35 -6.672 -14.892 -3.396 1.00 44.54 H new ATOM 0 HE3 LYS A 35 -7.580 -13.402 -3.241 1.00 44.54 H new ATOM 0 HZ1 LYS A 35 -5.166 -13.088 -3.559 1.00 75.33 H new ATOM 0 HZ2 LYS A 35 -5.751 -12.364 -2.139 1.00 75.33 H new ATOM 0 HZ3 LYS A 35 -4.888 -13.823 -2.054 1.00 75.33 H new ATOM 585 N GLN A 36 -6.423 -12.712 3.300 1.00 41.34 N ATOM 586 CA GLN A 36 -5.130 -12.294 3.859 1.00 51.25 C ATOM 587 C GLN A 36 -4.085 -12.032 2.763 1.00 50.52 C ATOM 588 O GLN A 36 -3.605 -12.964 2.109 1.00 0.21 O ATOM 589 CB GLN A 36 -4.622 -13.381 4.822 1.00 51.32 C ATOM 590 CG GLN A 36 -3.231 -13.131 5.401 1.00 1.30 C ATOM 591 CD GLN A 36 -3.186 -11.995 6.413 1.00 0.44 C ATOM 592 OE1 GLN A 36 -2.980 -10.842 6.064 1.00 63.25 O ATOM 593 NE2 GLN A 36 -3.380 -12.316 7.676 1.00 52.23 N ATOM 0 H GLN A 36 -6.802 -13.555 3.732 1.00 41.34 H new ATOM 0 HA GLN A 36 -5.279 -11.356 4.394 1.00 51.25 H new ATOM 0 HB2 GLN A 36 -5.330 -13.476 5.645 1.00 51.32 H new ATOM 0 HB3 GLN A 36 -4.614 -14.336 4.297 1.00 51.32 H new ATOM 0 HG2 GLN A 36 -2.876 -14.045 5.877 1.00 1.30 H new ATOM 0 HG3 GLN A 36 -2.542 -12.908 4.586 1.00 1.30 H new ATOM 0 HE21 GLN A 36 -3.550 -13.288 7.935 1.00 52.23 H new ATOM 0 HE22 GLN A 36 -3.361 -11.593 8.395 1.00 52.23 H new ATOM 602 N GLY A 37 -3.750 -10.764 2.554 1.00 23.10 N ATOM 603 CA GLY A 37 -2.723 -10.412 1.583 1.00 41.35 C ATOM 604 C GLY A 37 -3.170 -9.383 0.553 1.00 65.24 C ATOM 605 O GLY A 37 -2.345 -8.622 0.049 1.00 75.43 O ATOM 0 H GLY A 37 -4.170 -9.971 3.039 1.00 23.10 H new ATOM 0 HA2 GLY A 37 -1.853 -10.025 2.114 1.00 41.35 H new ATOM 0 HA3 GLY A 37 -2.404 -11.316 1.064 1.00 41.35 H new ATOM 609 N ASP A 38 -4.464 -9.366 0.225 1.00 34.01 N ATOM 610 CA ASP A 38 -4.991 -8.421 -0.770 1.00 2.21 C ATOM 611 C ASP A 38 -4.618 -6.973 -0.402 1.00 63.21 C ATOM 612 O ASP A 38 -5.015 -6.477 0.652 1.00 63.02 O ATOM 613 CB ASP A 38 -6.519 -8.531 -0.870 1.00 33.33 C ATOM 614 CG ASP A 38 -7.017 -9.914 -1.255 1.00 31.31 C ATOM 615 OD1 ASP A 38 -6.267 -10.678 -1.897 1.00 32.35 O ATOM 616 OD2 ASP A 38 -8.181 -10.236 -0.927 1.00 1.35 O ATOM 0 H ASP A 38 -5.164 -9.989 0.628 1.00 34.01 H new ATOM 0 HA ASP A 38 -4.545 -8.676 -1.731 1.00 2.21 H new ATOM 0 HB2 ASP A 38 -6.956 -8.253 0.089 1.00 33.33 H new ATOM 0 HB3 ASP A 38 -6.877 -7.810 -1.605 1.00 33.33 H new ATOM 621 N PHE A 39 -3.866 -6.292 -1.266 1.00 65.03 N ATOM 622 CA PHE A 39 -3.452 -4.909 -0.991 1.00 50.40 C ATOM 623 C PHE A 39 -3.594 -4.008 -2.223 1.00 14.53 C ATOM 624 O PHE A 39 -3.496 -4.465 -3.365 1.00 22.33 O ATOM 625 CB PHE A 39 -2.002 -4.866 -0.477 1.00 33.43 C ATOM 626 CG PHE A 39 -0.951 -5.228 -1.507 1.00 41.04 C ATOM 627 CD1 PHE A 39 -0.671 -6.556 -1.803 1.00 32.13 C ATOM 628 CD2 PHE A 39 -0.240 -4.237 -2.174 1.00 43.24 C ATOM 629 CE1 PHE A 39 0.295 -6.883 -2.736 1.00 52.54 C ATOM 630 CE2 PHE A 39 0.725 -4.562 -3.108 1.00 70.33 C ATOM 631 CZ PHE A 39 0.992 -5.886 -3.389 1.00 24.35 C ATOM 0 H PHE A 39 -3.532 -6.667 -2.154 1.00 65.03 H new ATOM 0 HA PHE A 39 -4.120 -4.527 -0.219 1.00 50.40 H new ATOM 0 HB2 PHE A 39 -1.794 -3.864 -0.103 1.00 33.43 H new ATOM 0 HB3 PHE A 39 -1.911 -5.547 0.369 1.00 33.43 H new ATOM 0 HD1 PHE A 39 -1.214 -7.342 -1.299 1.00 32.13 H new ATOM 0 HD2 PHE A 39 -0.445 -3.199 -1.959 1.00 43.24 H new ATOM 0 HE1 PHE A 39 0.505 -7.920 -2.954 1.00 52.54 H new ATOM 0 HE2 PHE A 39 1.269 -3.781 -3.617 1.00 70.33 H new ATOM 0 HZ PHE A 39 1.745 -6.142 -4.119 1.00 24.35 H new ATOM 641 N LEU A 40 -3.826 -2.721 -1.975 1.00 22.22 N ATOM 642 CA LEU A 40 -3.885 -1.719 -3.038 1.00 75.34 C ATOM 643 C LEU A 40 -3.585 -0.316 -2.495 1.00 2.30 C ATOM 644 O LEU A 40 -3.854 -0.015 -1.330 1.00 41.12 O ATOM 645 CB LEU A 40 -5.263 -1.712 -3.717 1.00 74.14 C ATOM 646 CG LEU A 40 -6.445 -1.279 -2.828 1.00 50.33 C ATOM 647 CD1 LEU A 40 -7.615 -0.794 -3.676 1.00 43.42 C ATOM 648 CD2 LEU A 40 -6.886 -2.422 -1.916 1.00 41.22 C ATOM 0 H LEU A 40 -3.977 -2.345 -1.039 1.00 22.22 H new ATOM 0 HA LEU A 40 -3.125 -1.988 -3.772 1.00 75.34 H new ATOM 0 HB2 LEU A 40 -5.219 -1.047 -4.580 1.00 74.14 H new ATOM 0 HB3 LEU A 40 -5.466 -2.714 -4.096 1.00 74.14 H new ATOM 0 HG LEU A 40 -6.108 -0.451 -2.204 1.00 50.33 H new ATOM 0 HD11 LEU A 40 -8.436 -0.494 -3.025 1.00 43.42 H new ATOM 0 HD12 LEU A 40 -7.299 0.058 -4.278 1.00 43.42 H new ATOM 0 HD13 LEU A 40 -7.947 -1.599 -4.332 1.00 43.42 H new ATOM 0 HD21 LEU A 40 -7.721 -2.093 -1.298 1.00 41.22 H new ATOM 0 HD22 LEU A 40 -7.197 -3.273 -2.523 1.00 41.22 H new ATOM 0 HD23 LEU A 40 -6.055 -2.718 -1.275 1.00 41.22 H new ATOM 660 N VAL A 41 -3.028 0.537 -3.349 1.00 14.43 N ATOM 661 CA VAL A 41 -2.799 1.944 -3.007 1.00 73.44 C ATOM 662 C VAL A 41 -3.747 2.852 -3.803 1.00 63.14 C ATOM 663 O VAL A 41 -3.862 2.734 -5.026 1.00 44.32 O ATOM 664 CB VAL A 41 -1.330 2.370 -3.276 1.00 73.21 C ATOM 665 CG1 VAL A 41 -1.117 3.855 -2.967 1.00 34.13 C ATOM 666 CG2 VAL A 41 -0.363 1.505 -2.468 1.00 3.02 C ATOM 0 H VAL A 41 -2.724 0.280 -4.288 1.00 14.43 H new ATOM 0 HA VAL A 41 -2.997 2.052 -1.941 1.00 73.44 H new ATOM 0 HB VAL A 41 -1.126 2.218 -4.336 1.00 73.21 H new ATOM 0 HG11 VAL A 41 -0.079 4.123 -3.165 1.00 34.13 H new ATOM 0 HG12 VAL A 41 -1.773 4.455 -3.597 1.00 34.13 H new ATOM 0 HG13 VAL A 41 -1.347 4.045 -1.919 1.00 34.13 H new ATOM 0 HG21 VAL A 41 0.661 1.819 -2.670 1.00 3.02 H new ATOM 0 HG22 VAL A 41 -0.575 1.619 -1.405 1.00 3.02 H new ATOM 0 HG23 VAL A 41 -0.485 0.460 -2.752 1.00 3.02 H new ATOM 676 N ARG A 42 -4.436 3.743 -3.107 1.00 34.23 N ATOM 677 CA ARG A 42 -5.354 4.687 -3.749 1.00 11.24 C ATOM 678 C ARG A 42 -5.039 6.126 -3.320 1.00 4.33 C ATOM 679 O ARG A 42 -4.517 6.352 -2.227 1.00 50.55 O ATOM 680 CB ARG A 42 -6.807 4.348 -3.378 1.00 43.34 C ATOM 681 CG ARG A 42 -7.125 4.578 -1.902 1.00 71.24 C ATOM 682 CD ARG A 42 -8.601 4.367 -1.584 1.00 54.31 C ATOM 683 NE ARG A 42 -8.951 4.914 -0.274 1.00 3.15 N ATOM 684 CZ ARG A 42 -9.475 6.099 -0.091 1.00 50.32 C ATOM 685 NH1 ARG A 42 -9.828 6.827 -1.106 1.00 3.31 N ATOM 686 NH2 ARG A 42 -9.669 6.543 1.110 1.00 5.51 N ATOM 0 H ARG A 42 -4.380 3.837 -2.093 1.00 34.23 H new ATOM 0 HA ARG A 42 -5.227 4.605 -4.828 1.00 11.24 H new ATOM 0 HB2 ARG A 42 -7.480 4.953 -3.986 1.00 43.34 H new ATOM 0 HB3 ARG A 42 -7.004 3.305 -3.626 1.00 43.34 H new ATOM 0 HG2 ARG A 42 -6.525 3.900 -1.294 1.00 71.24 H new ATOM 0 HG3 ARG A 42 -6.838 5.593 -1.626 1.00 71.24 H new ATOM 0 HD2 ARG A 42 -9.211 4.842 -2.352 1.00 54.31 H new ATOM 0 HD3 ARG A 42 -8.831 3.302 -1.608 1.00 54.31 H new ATOM 0 HE ARG A 42 -8.776 4.336 0.548 1.00 3.15 H new ATOM 0 HH11 ARG A 42 -9.698 6.476 -2.055 1.00 3.31 H new ATOM 0 HH12 ARG A 42 -10.236 7.750 -0.955 1.00 3.31 H new ATOM 0 HH21 ARG A 42 -9.413 5.969 1.913 1.00 5.51 H new ATOM 0 HH22 ARG A 42 -10.077 7.467 1.252 1.00 5.51 H new ATOM 700 N GLU A 43 -5.345 7.095 -4.175 1.00 50.35 N ATOM 701 CA GLU A 43 -5.218 8.509 -3.790 1.00 22.10 C ATOM 702 C GLU A 43 -6.512 9.008 -3.121 1.00 63.33 C ATOM 703 O GLU A 43 -7.607 8.534 -3.427 1.00 22.31 O ATOM 704 CB GLU A 43 -4.873 9.384 -5.005 1.00 44.12 C ATOM 705 CG GLU A 43 -4.650 10.858 -4.653 1.00 62.13 C ATOM 706 CD GLU A 43 -4.362 11.725 -5.868 1.00 44.55 C ATOM 707 OE1 GLU A 43 -5.250 11.848 -6.739 1.00 10.11 O ATOM 708 OE2 GLU A 43 -3.253 12.300 -5.947 1.00 3.23 O ATOM 0 H GLU A 43 -5.678 6.939 -5.126 1.00 50.35 H new ATOM 0 HA GLU A 43 -4.402 8.588 -3.072 1.00 22.10 H new ATOM 0 HB2 GLU A 43 -3.974 8.992 -5.481 1.00 44.12 H new ATOM 0 HB3 GLU A 43 -5.678 9.311 -5.736 1.00 44.12 H new ATOM 0 HG2 GLU A 43 -5.534 11.241 -4.142 1.00 62.13 H new ATOM 0 HG3 GLU A 43 -3.818 10.936 -3.953 1.00 62.13 H new ATOM 715 N SER A 44 -6.376 9.953 -2.194 1.00 33.34 N ATOM 716 CA SER A 44 -7.527 10.502 -1.461 1.00 74.01 C ATOM 717 C SER A 44 -8.272 11.567 -2.276 1.00 63.50 C ATOM 718 O SER A 44 -7.657 12.478 -2.830 1.00 52.14 O ATOM 719 CB SER A 44 -7.063 11.118 -0.133 1.00 70.33 C ATOM 720 OG SER A 44 -8.159 11.621 0.620 1.00 74.30 O ATOM 0 H SER A 44 -5.479 10.359 -1.928 1.00 33.34 H new ATOM 0 HA SER A 44 -8.212 9.676 -1.272 1.00 74.01 H new ATOM 0 HB2 SER A 44 -6.533 10.367 0.452 1.00 70.33 H new ATOM 0 HB3 SER A 44 -6.357 11.924 -0.332 1.00 70.33 H new ATOM 0 HG SER A 44 -7.865 11.819 1.534 1.00 74.30 H new ATOM 794 N GLU A 50 -2.555 12.658 -1.139 1.00 20.22 N ATOM 795 CA GLU A 50 -2.642 11.750 0.012 1.00 12.33 C ATOM 796 C GLU A 50 -2.915 10.310 -0.449 1.00 24.33 C ATOM 797 O GLU A 50 -4.048 9.952 -0.772 1.00 21.15 O ATOM 798 CB GLU A 50 -3.739 12.219 0.988 1.00 55.42 C ATOM 799 CG GLU A 50 -3.908 11.330 2.225 1.00 72.21 C ATOM 800 CD GLU A 50 -4.958 11.857 3.200 1.00 35.14 C ATOM 801 OE1 GLU A 50 -6.169 11.697 2.930 1.00 35.43 O ATOM 802 OE2 GLU A 50 -4.579 12.427 4.248 1.00 65.43 O ATOM 0 HA GLU A 50 -1.684 11.767 0.532 1.00 12.33 H new ATOM 0 HB2 GLU A 50 -3.509 13.234 1.313 1.00 55.42 H new ATOM 0 HB3 GLU A 50 -4.689 12.263 0.454 1.00 55.42 H new ATOM 0 HG2 GLU A 50 -4.187 10.325 1.908 1.00 72.21 H new ATOM 0 HG3 GLU A 50 -2.951 11.248 2.740 1.00 72.21 H new ATOM 809 N TYR A 51 -1.864 9.499 -0.510 1.00 73.23 N ATOM 810 CA TYR A 51 -1.989 8.098 -0.932 1.00 70.23 C ATOM 811 C TYR A 51 -2.123 7.167 0.278 1.00 51.34 C ATOM 812 O TYR A 51 -1.294 7.191 1.189 1.00 13.32 O ATOM 813 CB TYR A 51 -0.777 7.684 -1.778 1.00 13.53 C ATOM 814 CG TYR A 51 -0.671 8.423 -3.099 1.00 70.44 C ATOM 815 CD1 TYR A 51 -0.210 9.731 -3.150 1.00 14.21 C ATOM 816 CD2 TYR A 51 -1.046 7.817 -4.294 1.00 14.14 C ATOM 817 CE1 TYR A 51 -0.119 10.413 -4.346 1.00 12.43 C ATOM 818 CE2 TYR A 51 -0.956 8.494 -5.494 1.00 25.42 C ATOM 819 CZ TYR A 51 -0.494 9.791 -5.515 1.00 70.24 C ATOM 820 OH TYR A 51 -0.404 10.465 -6.709 1.00 65.44 O ATOM 0 H TYR A 51 -0.913 9.783 -0.274 1.00 73.23 H new ATOM 0 HA TYR A 51 -2.893 8.010 -1.535 1.00 70.23 H new ATOM 0 HB2 TYR A 51 0.132 7.856 -1.202 1.00 13.53 H new ATOM 0 HB3 TYR A 51 -0.832 6.613 -1.975 1.00 13.53 H new ATOM 0 HD1 TYR A 51 0.083 10.225 -2.235 1.00 14.21 H new ATOM 0 HD2 TYR A 51 -1.413 6.801 -4.283 1.00 14.14 H new ATOM 0 HE1 TYR A 51 0.245 11.430 -4.365 1.00 12.43 H new ATOM 0 HE2 TYR A 51 -1.247 8.008 -6.413 1.00 25.42 H new ATOM 0 HH TYR A 51 -0.707 9.883 -7.437 1.00 65.44 H new ATOM 830 N VAL A 52 -3.173 6.352 0.285 1.00 0.55 N ATOM 831 CA VAL A 52 -3.415 5.419 1.387 1.00 50.02 C ATOM 832 C VAL A 52 -3.332 3.956 0.921 1.00 43.21 C ATOM 833 O VAL A 52 -3.998 3.557 -0.041 1.00 72.51 O ATOM 834 CB VAL A 52 -4.797 5.666 2.042 1.00 4.32 C ATOM 835 CG1 VAL A 52 -4.982 4.778 3.272 1.00 22.34 C ATOM 836 CG2 VAL A 52 -4.978 7.143 2.403 1.00 75.42 C ATOM 0 H VAL A 52 -3.871 6.316 -0.458 1.00 0.55 H new ATOM 0 HA VAL A 52 -2.632 5.599 2.124 1.00 50.02 H new ATOM 0 HB VAL A 52 -5.565 5.402 1.315 1.00 4.32 H new ATOM 0 HG11 VAL A 52 -5.959 4.969 3.715 1.00 22.34 H new ATOM 0 HG12 VAL A 52 -4.915 3.731 2.978 1.00 22.34 H new ATOM 0 HG13 VAL A 52 -4.203 5.000 4.002 1.00 22.34 H new ATOM 0 HG21 VAL A 52 -5.956 7.288 2.861 1.00 75.42 H new ATOM 0 HG22 VAL A 52 -4.200 7.444 3.105 1.00 75.42 H new ATOM 0 HG23 VAL A 52 -4.906 7.750 1.500 1.00 75.42 H new ATOM 846 N LEU A 53 -2.509 3.172 1.610 1.00 32.51 N ATOM 847 CA LEU A 53 -2.391 1.733 1.359 1.00 71.11 C ATOM 848 C LEU A 53 -3.431 0.952 2.173 1.00 44.31 C ATOM 849 O LEU A 53 -3.391 0.937 3.406 1.00 14.23 O ATOM 850 CB LEU A 53 -0.976 1.246 1.722 1.00 12.41 C ATOM 851 CG LEU A 53 -0.756 -0.281 1.655 1.00 61.23 C ATOM 852 CD1 LEU A 53 -0.938 -0.802 0.230 1.00 34.12 C ATOM 853 CD2 LEU A 53 0.624 -0.650 2.193 1.00 55.24 C ATOM 0 H LEU A 53 -1.904 3.512 2.358 1.00 32.51 H new ATOM 0 HA LEU A 53 -2.573 1.556 0.299 1.00 71.11 H new ATOM 0 HB2 LEU A 53 -0.263 1.727 1.052 1.00 12.41 H new ATOM 0 HB3 LEU A 53 -0.743 1.584 2.732 1.00 12.41 H new ATOM 0 HG LEU A 53 -1.509 -0.757 2.284 1.00 61.23 H new ATOM 0 HD11 LEU A 53 -0.777 -1.880 0.213 1.00 34.12 H new ATOM 0 HD12 LEU A 53 -1.949 -0.581 -0.112 1.00 34.12 H new ATOM 0 HD13 LEU A 53 -0.218 -0.317 -0.429 1.00 34.12 H new ATOM 0 HD21 LEU A 53 0.759 -1.730 2.137 1.00 55.24 H new ATOM 0 HD22 LEU A 53 1.391 -0.157 1.596 1.00 55.24 H new ATOM 0 HD23 LEU A 53 0.708 -0.327 3.231 1.00 55.24 H new ATOM 865 N SER A 54 -4.371 0.322 1.481 1.00 15.40 N ATOM 866 CA SER A 54 -5.381 -0.524 2.127 1.00 30.21 C ATOM 867 C SER A 54 -5.118 -2.004 1.832 1.00 12.51 C ATOM 868 O SER A 54 -5.017 -2.407 0.675 1.00 22.43 O ATOM 869 CB SER A 54 -6.793 -0.131 1.665 1.00 33.14 C ATOM 870 OG SER A 54 -6.898 -0.139 0.253 1.00 22.20 O ATOM 0 H SER A 54 -4.460 0.378 0.466 1.00 15.40 H new ATOM 0 HA SER A 54 -5.313 -0.370 3.204 1.00 30.21 H new ATOM 0 HB2 SER A 54 -7.521 -0.822 2.089 1.00 33.14 H new ATOM 0 HB3 SER A 54 -7.038 0.861 2.043 1.00 33.14 H new ATOM 0 HG SER A 54 -6.987 0.781 -0.074 1.00 22.20 H new ATOM 876 N VAL A 55 -5.009 -2.807 2.888 1.00 5.11 N ATOM 877 CA VAL A 55 -4.670 -4.230 2.754 1.00 21.43 C ATOM 878 C VAL A 55 -5.456 -5.107 3.746 1.00 23.34 C ATOM 879 O VAL A 55 -5.651 -4.734 4.903 1.00 21.31 O ATOM 880 CB VAL A 55 -3.145 -4.450 2.953 1.00 1.21 C ATOM 881 CG1 VAL A 55 -2.666 -3.805 4.252 1.00 31.54 C ATOM 882 CG2 VAL A 55 -2.790 -5.939 2.915 1.00 25.53 C ATOM 0 H VAL A 55 -5.150 -2.500 3.850 1.00 5.11 H new ATOM 0 HA VAL A 55 -4.951 -4.531 1.745 1.00 21.43 H new ATOM 0 HB VAL A 55 -2.627 -3.965 2.125 1.00 1.21 H new ATOM 0 HG11 VAL A 55 -1.595 -3.973 4.368 1.00 31.54 H new ATOM 0 HG12 VAL A 55 -2.864 -2.734 4.221 1.00 31.54 H new ATOM 0 HG13 VAL A 55 -3.196 -4.248 5.095 1.00 31.54 H new ATOM 0 HG21 VAL A 55 -1.716 -6.061 3.057 1.00 25.53 H new ATOM 0 HG22 VAL A 55 -3.323 -6.460 3.710 1.00 25.53 H new ATOM 0 HG23 VAL A 55 -3.078 -6.357 1.951 1.00 25.53 H new ATOM 892 N TYR A 56 -5.909 -6.270 3.286 1.00 74.51 N ATOM 893 CA TYR A 56 -6.643 -7.209 4.139 1.00 54.02 C ATOM 894 C TYR A 56 -5.675 -8.045 4.988 1.00 40.04 C ATOM 895 O TYR A 56 -4.980 -8.922 4.473 1.00 55.43 O ATOM 896 CB TYR A 56 -7.522 -8.132 3.280 1.00 20.34 C ATOM 897 CG TYR A 56 -8.506 -8.972 4.080 1.00 33.00 C ATOM 898 CD1 TYR A 56 -8.110 -10.154 4.697 1.00 11.21 C ATOM 899 CD2 TYR A 56 -9.835 -8.582 4.213 1.00 61.13 C ATOM 900 CE1 TYR A 56 -9.005 -10.920 5.417 1.00 33.21 C ATOM 901 CE2 TYR A 56 -10.734 -9.345 4.933 1.00 43.13 C ATOM 902 CZ TYR A 56 -10.316 -10.513 5.530 1.00 4.53 C ATOM 903 OH TYR A 56 -11.210 -11.277 6.249 1.00 12.14 O ATOM 0 H TYR A 56 -5.782 -6.588 2.325 1.00 74.51 H new ATOM 0 HA TYR A 56 -7.281 -6.634 4.810 1.00 54.02 H new ATOM 0 HB2 TYR A 56 -8.077 -7.525 2.564 1.00 20.34 H new ATOM 0 HB3 TYR A 56 -6.878 -8.796 2.704 1.00 20.34 H new ATOM 0 HD1 TYR A 56 -7.083 -10.479 4.611 1.00 11.21 H new ATOM 0 HD2 TYR A 56 -10.169 -7.668 3.746 1.00 61.13 H new ATOM 0 HE1 TYR A 56 -8.678 -11.835 5.890 1.00 33.21 H new ATOM 0 HE2 TYR A 56 -11.762 -9.026 5.027 1.00 43.13 H new ATOM 0 HH TYR A 56 -12.092 -10.851 6.232 1.00 12.14 H new ATOM 913 N SER A 57 -5.635 -7.772 6.288 1.00 72.21 N ATOM 914 CA SER A 57 -4.739 -8.483 7.210 1.00 13.40 C ATOM 915 C SER A 57 -5.495 -9.025 8.427 1.00 22.22 C ATOM 916 O SER A 57 -6.091 -8.258 9.186 1.00 42.24 O ATOM 917 CB SER A 57 -3.612 -7.552 7.678 1.00 34.33 C ATOM 918 OG SER A 57 -2.816 -8.152 8.691 1.00 11.35 O ATOM 0 H SER A 57 -6.214 -7.061 6.734 1.00 72.21 H new ATOM 0 HA SER A 57 -4.315 -9.329 6.668 1.00 13.40 H new ATOM 0 HB2 SER A 57 -2.981 -7.290 6.829 1.00 34.33 H new ATOM 0 HB3 SER A 57 -4.041 -6.624 8.055 1.00 34.33 H new ATOM 0 HG SER A 57 -2.723 -7.532 9.444 1.00 11.35 H new ATOM 924 N ASP A 58 -5.488 -10.354 8.587 1.00 3.22 N ATOM 925 CA ASP A 58 -6.063 -11.014 9.770 1.00 12.04 C ATOM 926 C ASP A 58 -7.540 -10.639 9.990 1.00 53.04 C ATOM 927 O ASP A 58 -8.000 -10.503 11.123 1.00 72.23 O ATOM 928 CB ASP A 58 -5.220 -10.672 11.007 1.00 71.12 C ATOM 929 CG ASP A 58 -3.811 -11.235 10.912 1.00 11.13 C ATOM 930 OD1 ASP A 58 -3.018 -10.738 10.083 1.00 72.01 O ATOM 931 OD2 ASP A 58 -3.486 -12.180 11.666 1.00 3.23 O ATOM 0 H ASP A 58 -5.087 -11.000 7.907 1.00 3.22 H new ATOM 0 HA ASP A 58 -6.040 -12.090 9.600 1.00 12.04 H new ATOM 0 HB2 ASP A 58 -5.170 -9.589 11.123 1.00 71.12 H new ATOM 0 HB3 ASP A 58 -5.708 -11.066 11.898 1.00 71.12 H new ATOM 936 N GLY A 59 -8.283 -10.498 8.893 1.00 71.03 N ATOM 937 CA GLY A 59 -9.701 -10.153 8.975 1.00 50.41 C ATOM 938 C GLY A 59 -9.963 -8.652 8.922 1.00 61.13 C ATOM 939 O GLY A 59 -11.059 -8.216 8.572 1.00 33.13 O ATOM 0 H GLY A 59 -7.930 -10.616 7.944 1.00 71.03 H new ATOM 0 HA2 GLY A 59 -10.233 -10.636 8.155 1.00 50.41 H new ATOM 0 HA3 GLY A 59 -10.112 -10.554 9.902 1.00 50.41 H new ATOM 943 N GLN A 60 -8.950 -7.860 9.260 1.00 5.43 N ATOM 944 CA GLN A 60 -9.084 -6.401 9.318 1.00 44.51 C ATOM 945 C GLN A 60 -8.608 -5.722 8.025 1.00 33.41 C ATOM 946 O GLN A 60 -7.545 -6.046 7.492 1.00 61.01 O ATOM 947 CB GLN A 60 -8.269 -5.851 10.496 1.00 54.11 C ATOM 948 CG GLN A 60 -8.697 -6.391 11.855 1.00 32.24 C ATOM 949 CD GLN A 60 -7.772 -5.944 12.973 1.00 62.45 C ATOM 950 OE1 GLN A 60 -6.798 -6.615 13.300 1.00 24.23 O ATOM 951 NE2 GLN A 60 -8.060 -4.802 13.562 1.00 55.51 N ATOM 0 H GLN A 60 -8.020 -8.203 9.500 1.00 5.43 H new ATOM 0 HA GLN A 60 -10.144 -6.180 9.447 1.00 44.51 H new ATOM 0 HB2 GLN A 60 -7.217 -6.088 10.338 1.00 54.11 H new ATOM 0 HB3 GLN A 60 -8.353 -4.764 10.506 1.00 54.11 H new ATOM 0 HG2 GLN A 60 -9.712 -6.058 12.072 1.00 32.24 H new ATOM 0 HG3 GLN A 60 -8.720 -7.480 11.819 1.00 32.24 H new ATOM 0 HE21 GLN A 60 -8.877 -4.268 13.267 1.00 55.51 H new ATOM 0 HE22 GLN A 60 -7.466 -4.452 14.313 1.00 55.51 H new ATOM 960 N ARG A 61 -9.396 -4.775 7.518 1.00 14.44 N ATOM 961 CA ARG A 61 -8.938 -3.917 6.422 1.00 55.43 C ATOM 962 C ARG A 61 -8.002 -2.828 6.969 1.00 41.33 C ATOM 963 O ARG A 61 -8.455 -1.847 7.561 1.00 44.23 O ATOM 964 CB ARG A 61 -10.117 -3.250 5.686 1.00 30.13 C ATOM 965 CG ARG A 61 -10.969 -4.182 4.817 1.00 10.42 C ATOM 966 CD ARG A 61 -11.943 -5.039 5.627 1.00 34.23 C ATOM 967 NE ARG A 61 -13.223 -5.209 4.929 1.00 12.14 N ATOM 968 CZ ARG A 61 -13.657 -6.333 4.420 1.00 72.31 C ATOM 969 NH1 ARG A 61 -12.957 -7.414 4.500 1.00 13.41 N ATOM 970 NH2 ARG A 61 -14.799 -6.369 3.826 1.00 53.13 N ATOM 0 H ARG A 61 -10.344 -4.582 7.842 1.00 14.44 H new ATOM 0 HA ARG A 61 -8.406 -4.548 5.710 1.00 55.43 H new ATOM 0 HB2 ARG A 61 -10.765 -2.780 6.426 1.00 30.13 H new ATOM 0 HB3 ARG A 61 -9.724 -2.453 5.055 1.00 30.13 H new ATOM 0 HG2 ARG A 61 -11.531 -3.585 4.099 1.00 10.42 H new ATOM 0 HG3 ARG A 61 -10.311 -4.835 4.243 1.00 10.42 H new ATOM 0 HD2 ARG A 61 -11.498 -6.016 5.816 1.00 34.23 H new ATOM 0 HD3 ARG A 61 -12.116 -4.575 6.598 1.00 34.23 H new ATOM 0 HE ARG A 61 -13.820 -4.387 4.834 1.00 12.14 H new ATOM 0 HH11 ARG A 61 -12.050 -7.401 4.966 1.00 13.41 H new ATOM 0 HH12 ARG A 61 -13.311 -8.282 4.097 1.00 13.41 H new ATOM 0 HH21 ARG A 61 -15.363 -5.522 3.753 1.00 53.13 H new ATOM 0 HH22 ARG A 61 -15.140 -7.244 3.428 1.00 53.13 H new ATOM 984 N ARG A 62 -6.699 -3.005 6.767 1.00 25.35 N ATOM 985 CA ARG A 62 -5.699 -2.042 7.244 1.00 72.13 C ATOM 986 C ARG A 62 -5.657 -0.793 6.353 1.00 13.41 C ATOM 987 O ARG A 62 -5.928 -0.871 5.153 1.00 2.34 O ATOM 988 CB ARG A 62 -4.309 -2.694 7.271 1.00 14.32 C ATOM 989 CG ARG A 62 -4.206 -3.930 8.164 1.00 64.10 C ATOM 990 CD ARG A 62 -4.447 -3.604 9.635 1.00 65.52 C ATOM 991 NE ARG A 62 -4.115 -4.730 10.509 1.00 71.14 N ATOM 992 CZ ARG A 62 -4.063 -4.652 11.811 1.00 55.43 C ATOM 993 NH1 ARG A 62 -4.382 -3.556 12.421 1.00 34.25 N ATOM 994 NH2 ARG A 62 -3.701 -5.681 12.504 1.00 62.02 N ATOM 0 H ARG A 62 -6.306 -3.807 6.275 1.00 25.35 H new ATOM 0 HA ARG A 62 -5.984 -1.739 8.252 1.00 72.13 H new ATOM 0 HB2 ARG A 62 -4.032 -2.972 6.254 1.00 14.32 H new ATOM 0 HB3 ARG A 62 -3.582 -1.956 7.609 1.00 14.32 H new ATOM 0 HG2 ARG A 62 -4.932 -4.674 7.836 1.00 64.10 H new ATOM 0 HG3 ARG A 62 -3.218 -4.376 8.050 1.00 64.10 H new ATOM 0 HD2 ARG A 62 -3.848 -2.738 9.917 1.00 65.52 H new ATOM 0 HD3 ARG A 62 -5.492 -3.330 9.779 1.00 65.52 H new ATOM 0 HE ARG A 62 -3.912 -5.630 10.074 1.00 71.14 H new ATOM 0 HH11 ARG A 62 -4.678 -2.741 11.884 1.00 34.25 H new ATOM 0 HH12 ARG A 62 -4.337 -3.507 13.439 1.00 34.25 H new ATOM 0 HH21 ARG A 62 -3.456 -6.552 12.034 1.00 62.02 H new ATOM 0 HH22 ARG A 62 -3.660 -5.622 13.521 1.00 62.02 H new ATOM 1008 N HIS A 63 -5.332 0.355 6.946 1.00 54.44 N ATOM 1009 CA HIS A 63 -5.167 1.607 6.192 1.00 55.44 C ATOM 1010 C HIS A 63 -3.917 2.373 6.660 1.00 73.44 C ATOM 1011 O HIS A 63 -3.831 2.793 7.812 1.00 31.40 O ATOM 1012 CB HIS A 63 -6.408 2.504 6.348 1.00 1.53 C ATOM 1013 CG HIS A 63 -7.670 1.896 5.818 1.00 21.43 C ATOM 1014 ND1 HIS A 63 -8.027 1.937 4.486 1.00 4.32 N ATOM 1015 CD2 HIS A 63 -8.670 1.232 6.447 1.00 61.41 C ATOM 1016 CE1 HIS A 63 -9.184 1.330 4.322 1.00 34.52 C ATOM 1017 NE2 HIS A 63 -9.596 0.892 5.492 1.00 12.04 N ATOM 0 H HIS A 63 -5.176 0.449 7.950 1.00 54.44 H new ATOM 0 HA HIS A 63 -5.045 1.345 5.141 1.00 55.44 H new ATOM 0 HB2 HIS A 63 -6.545 2.737 7.404 1.00 1.53 H new ATOM 0 HB3 HIS A 63 -6.228 3.448 5.834 1.00 1.53 H new ATOM 0 HD2 HIS A 63 -8.728 1.011 7.503 1.00 61.41 H new ATOM 0 HE1 HIS A 63 -9.707 1.212 3.384 1.00 34.52 H new ATOM 0 HE2 HIS A 63 -10.463 0.382 5.662 1.00 12.04 H new ATOM 1026 N PHE A 64 -2.957 2.554 5.755 1.00 32.52 N ATOM 1027 CA PHE A 64 -1.719 3.284 6.063 1.00 65.42 C ATOM 1028 C PHE A 64 -1.544 4.486 5.123 1.00 2.33 C ATOM 1029 O PHE A 64 -1.633 4.342 3.908 1.00 4.23 O ATOM 1030 CB PHE A 64 -0.503 2.354 5.930 1.00 23.41 C ATOM 1031 CG PHE A 64 -0.611 1.079 6.729 1.00 3.54 C ATOM 1032 CD1 PHE A 64 -0.442 1.085 8.106 1.00 63.35 C ATOM 1033 CD2 PHE A 64 -0.883 -0.130 6.099 1.00 43.11 C ATOM 1034 CE1 PHE A 64 -0.539 -0.084 8.836 1.00 51.41 C ATOM 1035 CE2 PHE A 64 -0.979 -1.300 6.827 1.00 60.31 C ATOM 1036 CZ PHE A 64 -0.807 -1.278 8.197 1.00 25.40 C ATOM 0 H PHE A 64 -3.009 2.205 4.798 1.00 32.52 H new ATOM 0 HA PHE A 64 -1.790 3.645 7.089 1.00 65.42 H new ATOM 0 HB2 PHE A 64 -0.366 2.101 4.879 1.00 23.41 H new ATOM 0 HB3 PHE A 64 0.390 2.894 6.246 1.00 23.41 H new ATOM 0 HD1 PHE A 64 -0.232 2.015 8.614 1.00 63.35 H new ATOM 0 HD2 PHE A 64 -1.021 -0.155 5.028 1.00 43.11 H new ATOM 0 HE1 PHE A 64 -0.405 -0.064 9.907 1.00 51.41 H new ATOM 0 HE2 PHE A 64 -1.189 -2.233 6.324 1.00 60.31 H new ATOM 0 HZ PHE A 64 -0.882 -2.192 8.767 1.00 25.40 H new ATOM 1046 N ILE A 65 -1.299 5.669 5.681 1.00 74.43 N ATOM 1047 CA ILE A 65 -1.089 6.873 4.862 1.00 20.51 C ATOM 1048 C ILE A 65 0.402 7.064 4.526 1.00 51.43 C ATOM 1049 O ILE A 65 1.264 6.907 5.390 1.00 12.22 O ATOM 1050 CB ILE A 65 -1.625 8.146 5.575 1.00 14.44 C ATOM 1051 CG1 ILE A 65 -3.130 8.000 5.873 1.00 35.34 C ATOM 1052 CG2 ILE A 65 -1.359 9.396 4.729 1.00 13.01 C ATOM 1053 CD1 ILE A 65 -3.742 9.206 6.558 1.00 44.30 C ATOM 0 H ILE A 65 -1.240 5.825 6.687 1.00 74.43 H new ATOM 0 HA ILE A 65 -1.647 6.728 3.937 1.00 20.51 H new ATOM 0 HB ILE A 65 -1.095 8.260 6.521 1.00 14.44 H new ATOM 0 HG12 ILE A 65 -3.659 7.819 4.938 1.00 35.34 H new ATOM 0 HG13 ILE A 65 -3.282 7.122 6.501 1.00 35.34 H new ATOM 0 HG21 ILE A 65 -1.743 10.275 5.248 1.00 13.01 H new ATOM 0 HG22 ILE A 65 -0.286 9.507 4.571 1.00 13.01 H new ATOM 0 HG23 ILE A 65 -1.859 9.296 3.766 1.00 13.01 H new ATOM 0 HD11 ILE A 65 -4.803 9.026 6.733 1.00 44.30 H new ATOM 0 HD12 ILE A 65 -3.241 9.377 7.511 1.00 44.30 H new ATOM 0 HD13 ILE A 65 -3.624 10.084 5.923 1.00 44.30 H new ATOM 1065 N ILE A 66 0.692 7.394 3.270 1.00 4.40 N ATOM 1066 CA ILE A 66 2.071 7.612 2.815 1.00 1.13 C ATOM 1067 C ILE A 66 2.493 9.083 2.987 1.00 45.31 C ATOM 1068 O ILE A 66 1.971 9.971 2.309 1.00 51.12 O ATOM 1069 CB ILE A 66 2.240 7.212 1.326 1.00 34.05 C ATOM 1070 CG1 ILE A 66 1.779 5.763 1.100 1.00 12.43 C ATOM 1071 CG2 ILE A 66 3.691 7.394 0.883 1.00 11.44 C ATOM 1072 CD1 ILE A 66 1.878 5.297 -0.340 1.00 15.00 C ATOM 0 H ILE A 66 -0.011 7.518 2.542 1.00 4.40 H new ATOM 0 HA ILE A 66 2.710 6.982 3.434 1.00 1.13 H new ATOM 0 HB ILE A 66 1.614 7.867 0.720 1.00 34.05 H new ATOM 0 HG12 ILE A 66 2.377 5.101 1.726 1.00 12.43 H new ATOM 0 HG13 ILE A 66 0.745 5.667 1.431 1.00 12.43 H new ATOM 0 HG21 ILE A 66 3.790 7.108 -0.164 1.00 11.44 H new ATOM 0 HG22 ILE A 66 3.980 8.438 1.003 1.00 11.44 H new ATOM 0 HG23 ILE A 66 4.339 6.765 1.493 1.00 11.44 H new ATOM 0 HD11 ILE A 66 1.534 4.265 -0.413 1.00 15.00 H new ATOM 0 HD12 ILE A 66 1.257 5.932 -0.972 1.00 15.00 H new ATOM 0 HD13 ILE A 66 2.914 5.358 -0.672 1.00 15.00 H new ATOM 1084 N GLN A 67 3.441 9.339 3.893 1.00 31.33 N ATOM 1085 CA GLN A 67 3.950 10.699 4.109 1.00 60.10 C ATOM 1086 C GLN A 67 5.149 10.998 3.194 1.00 51.21 C ATOM 1087 O GLN A 67 6.006 10.142 2.969 1.00 12.30 O ATOM 1088 CB GLN A 67 4.357 10.917 5.577 1.00 25.10 C ATOM 1089 CG GLN A 67 3.213 10.761 6.580 1.00 62.22 C ATOM 1090 CD GLN A 67 2.834 9.311 6.827 1.00 53.24 C ATOM 1091 OE1 GLN A 67 3.674 8.422 6.762 1.00 11.43 O ATOM 1092 NE2 GLN A 67 1.571 9.059 7.111 1.00 45.34 N ATOM 0 H GLN A 67 3.870 8.628 4.486 1.00 31.33 H new ATOM 0 HA GLN A 67 3.139 11.385 3.863 1.00 60.10 H new ATOM 0 HB2 GLN A 67 5.146 10.209 5.831 1.00 25.10 H new ATOM 0 HB3 GLN A 67 4.780 11.916 5.679 1.00 25.10 H new ATOM 0 HG2 GLN A 67 3.500 11.222 7.525 1.00 62.22 H new ATOM 0 HG3 GLN A 67 2.340 11.302 6.214 1.00 62.22 H new ATOM 0 HE21 GLN A 67 0.897 9.823 7.157 1.00 45.34 H new ATOM 0 HE22 GLN A 67 1.269 8.100 7.284 1.00 45.34 H new ATOM 1101 N TYR A 68 5.198 12.221 2.674 1.00 55.14 N ATOM 1102 CA TYR A 68 6.300 12.661 1.816 1.00 52.40 C ATOM 1103 C TYR A 68 7.309 13.498 2.627 1.00 72.20 C ATOM 1104 O TYR A 68 7.110 14.691 2.851 1.00 54.22 O ATOM 1105 CB TYR A 68 5.732 13.474 0.641 1.00 74.21 C ATOM 1106 CG TYR A 68 6.747 13.859 -0.426 1.00 63.00 C ATOM 1107 CD1 TYR A 68 7.373 12.890 -1.201 1.00 34.50 C ATOM 1108 CD2 TYR A 68 7.049 15.195 -0.679 1.00 30.35 C ATOM 1109 CE1 TYR A 68 8.274 13.239 -2.192 1.00 51.01 C ATOM 1110 CE2 TYR A 68 7.952 15.551 -1.663 1.00 4.30 C ATOM 1111 CZ TYR A 68 8.559 14.570 -2.419 1.00 51.31 C ATOM 1112 OH TYR A 68 9.448 14.920 -3.413 1.00 1.10 O ATOM 0 H TYR A 68 4.483 12.931 2.832 1.00 55.14 H new ATOM 0 HA TYR A 68 6.827 11.791 1.424 1.00 52.40 H new ATOM 0 HB2 TYR A 68 4.935 12.897 0.172 1.00 74.21 H new ATOM 0 HB3 TYR A 68 5.278 14.384 1.034 1.00 74.21 H new ATOM 0 HD1 TYR A 68 7.153 11.847 -1.027 1.00 34.50 H new ATOM 0 HD2 TYR A 68 6.569 15.967 -0.096 1.00 30.35 H new ATOM 0 HE1 TYR A 68 8.752 12.473 -2.785 1.00 51.01 H new ATOM 0 HE2 TYR A 68 8.181 16.592 -1.839 1.00 4.30 H new ATOM 0 HH TYR A 68 9.537 15.895 -3.444 1.00 1.10 H new ATOM 1122 N VAL A 69 8.385 12.855 3.085 1.00 22.34 N ATOM 1123 CA VAL A 69 9.394 13.518 3.927 1.00 34.33 C ATOM 1124 C VAL A 69 10.809 13.284 3.375 1.00 4.24 C ATOM 1125 O VAL A 69 11.141 12.168 2.966 1.00 73.53 O ATOM 1126 CB VAL A 69 9.324 13.014 5.394 1.00 63.41 C ATOM 1127 CG1 VAL A 69 10.323 13.757 6.278 1.00 35.44 C ATOM 1128 CG2 VAL A 69 7.905 13.149 5.949 1.00 74.51 C ATOM 0 H VAL A 69 8.584 11.874 2.889 1.00 22.34 H new ATOM 0 HA VAL A 69 9.175 14.586 3.911 1.00 34.33 H new ATOM 0 HB VAL A 69 9.592 11.958 5.398 1.00 63.41 H new ATOM 0 HG11 VAL A 69 10.252 13.384 7.300 1.00 35.44 H new ATOM 0 HG12 VAL A 69 11.333 13.595 5.901 1.00 35.44 H new ATOM 0 HG13 VAL A 69 10.098 14.823 6.265 1.00 35.44 H new ATOM 0 HG21 VAL A 69 7.881 12.790 6.978 1.00 74.51 H new ATOM 0 HG22 VAL A 69 7.602 14.196 5.923 1.00 74.51 H new ATOM 0 HG23 VAL A 69 7.219 12.558 5.342 1.00 74.51 H new ATOM 1138 N ASP A 70 11.637 14.334 3.366 1.00 53.11 N ATOM 1139 CA ASP A 70 12.987 14.265 2.784 1.00 42.14 C ATOM 1140 C ASP A 70 12.954 13.733 1.339 1.00 43.40 C ATOM 1141 O ASP A 70 13.853 13.013 0.907 1.00 2.21 O ATOM 1142 CB ASP A 70 13.908 13.406 3.663 1.00 54.31 C ATOM 1143 CG ASP A 70 14.264 14.101 4.967 1.00 1.54 C ATOM 1144 OD1 ASP A 70 15.171 14.961 4.954 1.00 71.13 O ATOM 1145 OD2 ASP A 70 13.646 13.796 6.008 1.00 40.54 O ATOM 0 H ASP A 70 11.397 15.246 3.756 1.00 53.11 H new ATOM 0 HA ASP A 70 13.387 15.278 2.749 1.00 42.14 H new ATOM 0 HB2 ASP A 70 13.419 12.456 3.880 1.00 54.31 H new ATOM 0 HB3 ASP A 70 14.821 13.176 3.114 1.00 54.31 H new ATOM 1150 N ASN A 71 11.906 14.113 0.604 1.00 53.12 N ATOM 1151 CA ASN A 71 11.712 13.689 -0.793 1.00 55.14 C ATOM 1152 C ASN A 71 11.511 12.167 -0.921 1.00 32.12 C ATOM 1153 O ASN A 71 11.575 11.615 -2.021 1.00 34.30 O ATOM 1154 CB ASN A 71 12.887 14.143 -1.674 1.00 61.33 C ATOM 1155 CG ASN A 71 13.096 15.644 -1.639 1.00 20.24 C ATOM 1156 OD1 ASN A 71 12.175 16.411 -1.371 1.00 34.04 O ATOM 1157 ND2 ASN A 71 14.303 16.079 -1.921 1.00 11.01 N ATOM 0 H ASN A 71 11.167 14.722 0.956 1.00 53.12 H new ATOM 0 HA ASN A 71 10.799 14.172 -1.142 1.00 55.14 H new ATOM 0 HB2 ASN A 71 13.798 13.645 -1.343 1.00 61.33 H new ATOM 0 HB3 ASN A 71 12.708 13.829 -2.702 1.00 61.33 H new ATOM 0 HD21 ASN A 71 14.497 17.080 -1.922 1.00 11.01 H new ATOM 0 HD22 ASN A 71 15.046 15.415 -2.139 1.00 11.01 H new ATOM 1164 N MET A 72 11.248 11.498 0.198 1.00 51.00 N ATOM 1165 CA MET A 72 11.016 10.050 0.202 1.00 10.44 C ATOM 1166 C MET A 72 9.611 9.713 0.726 1.00 71.12 C ATOM 1167 O MET A 72 9.122 10.335 1.671 1.00 51.43 O ATOM 1168 CB MET A 72 12.070 9.342 1.065 1.00 14.22 C ATOM 1169 CG MET A 72 13.505 9.584 0.611 1.00 71.14 C ATOM 1170 SD MET A 72 14.713 8.704 1.626 1.00 2.31 S ATOM 1171 CE MET A 72 16.244 9.256 0.875 1.00 1.22 C ATOM 0 H MET A 72 11.189 11.934 1.118 1.00 51.00 H new ATOM 0 HA MET A 72 11.095 9.699 -0.827 1.00 10.44 H new ATOM 0 HB2 MET A 72 11.965 9.677 2.097 1.00 14.22 H new ATOM 0 HB3 MET A 72 11.872 8.270 1.056 1.00 14.22 H new ATOM 0 HG2 MET A 72 13.611 9.270 -0.427 1.00 71.14 H new ATOM 0 HG3 MET A 72 13.717 10.653 0.645 1.00 71.14 H new ATOM 0 HE1 MET A 72 17.088 8.799 1.391 1.00 1.22 H new ATOM 0 HE2 MET A 72 16.260 8.964 -0.175 1.00 1.22 H new ATOM 0 HE3 MET A 72 16.316 10.341 0.951 1.00 1.22 H new ATOM 1181 N TYR A 73 8.969 8.733 0.095 1.00 41.02 N ATOM 1182 CA TYR A 73 7.661 8.243 0.541 1.00 44.11 C ATOM 1183 C TYR A 73 7.830 7.171 1.630 1.00 53.22 C ATOM 1184 O TYR A 73 8.540 6.182 1.433 1.00 10.03 O ATOM 1185 CB TYR A 73 6.884 7.675 -0.651 1.00 51.34 C ATOM 1186 CG TYR A 73 6.579 8.706 -1.724 1.00 51.22 C ATOM 1187 CD1 TYR A 73 5.459 9.530 -1.628 1.00 44.12 C ATOM 1188 CD2 TYR A 73 7.408 8.856 -2.834 1.00 72.53 C ATOM 1189 CE1 TYR A 73 5.177 10.469 -2.603 1.00 73.12 C ATOM 1190 CE2 TYR A 73 7.128 9.792 -3.812 1.00 3.11 C ATOM 1191 CZ TYR A 73 6.013 10.594 -3.693 1.00 11.02 C ATOM 1192 OH TYR A 73 5.729 11.527 -4.668 1.00 23.12 O ATOM 0 H TYR A 73 9.333 8.258 -0.731 1.00 41.02 H new ATOM 0 HA TYR A 73 7.100 9.075 0.965 1.00 44.11 H new ATOM 0 HB2 TYR A 73 7.458 6.861 -1.094 1.00 51.34 H new ATOM 0 HB3 TYR A 73 5.948 7.247 -0.293 1.00 51.34 H new ATOM 0 HD1 TYR A 73 4.800 9.433 -0.778 1.00 44.12 H new ATOM 0 HD2 TYR A 73 8.283 8.231 -2.932 1.00 72.53 H new ATOM 0 HE1 TYR A 73 4.306 11.102 -2.512 1.00 73.12 H new ATOM 0 HE2 TYR A 73 7.781 9.895 -4.666 1.00 3.11 H new ATOM 0 HH TYR A 73 6.415 11.489 -5.367 1.00 23.12 H new ATOM 1202 N ARG A 74 7.175 7.372 2.773 1.00 64.30 N ATOM 1203 CA ARG A 74 7.392 6.515 3.948 1.00 33.42 C ATOM 1204 C ARG A 74 6.104 6.253 4.747 1.00 4.12 C ATOM 1205 O ARG A 74 5.168 7.052 4.726 1.00 12.54 O ATOM 1206 CB ARG A 74 8.431 7.178 4.864 1.00 71.40 C ATOM 1207 CG ARG A 74 8.065 8.613 5.254 1.00 21.31 C ATOM 1208 CD ARG A 74 9.155 9.281 6.086 1.00 13.30 C ATOM 1209 NE ARG A 74 9.253 8.733 7.438 1.00 72.24 N ATOM 1210 CZ ARG A 74 10.347 8.747 8.152 1.00 22.34 C ATOM 1211 NH1 ARG A 74 11.458 9.188 7.651 1.00 33.01 N ATOM 1212 NH2 ARG A 74 10.335 8.308 9.369 1.00 21.11 N ATOM 0 H ARG A 74 6.492 8.116 2.915 1.00 64.30 H new ATOM 0 HA ARG A 74 7.745 5.549 3.586 1.00 33.42 H new ATOM 0 HB2 ARG A 74 8.542 6.580 5.768 1.00 71.40 H new ATOM 0 HB3 ARG A 74 9.399 7.181 4.362 1.00 71.40 H new ATOM 0 HG2 ARG A 74 7.889 9.199 4.352 1.00 21.31 H new ATOM 0 HG3 ARG A 74 7.132 8.608 5.818 1.00 21.31 H new ATOM 0 HD2 ARG A 74 10.114 9.164 5.581 1.00 13.30 H new ATOM 0 HD3 ARG A 74 8.955 10.351 6.146 1.00 13.30 H new ATOM 0 HE ARG A 74 8.418 8.315 7.848 1.00 72.24 H new ATOM 0 HH11 ARG A 74 11.484 9.529 6.690 1.00 33.01 H new ATOM 0 HH12 ARG A 74 12.306 9.194 8.218 1.00 33.01 H new ATOM 0 HH21 ARG A 74 9.470 7.950 9.773 1.00 21.11 H new ATOM 0 HH22 ARG A 74 11.191 8.320 9.924 1.00 21.11 H new ATOM 1226 N PHE A 75 6.074 5.110 5.438 1.00 11.22 N ATOM 1227 CA PHE A 75 5.024 4.806 6.425 1.00 51.52 C ATOM 1228 C PHE A 75 5.575 4.991 7.852 1.00 4.45 C ATOM 1229 O PHE A 75 5.109 5.840 8.615 1.00 44.33 O ATOM 1230 CB PHE A 75 4.516 3.365 6.254 1.00 13.23 C ATOM 1231 CG PHE A 75 3.848 3.091 4.930 1.00 40.10 C ATOM 1232 CD1 PHE A 75 2.576 3.578 4.666 1.00 35.01 C ATOM 1233 CD2 PHE A 75 4.482 2.332 3.954 1.00 4.34 C ATOM 1234 CE1 PHE A 75 1.951 3.317 3.463 1.00 14.31 C ATOM 1235 CE2 PHE A 75 3.861 2.070 2.746 1.00 60.32 C ATOM 1236 CZ PHE A 75 2.595 2.562 2.501 1.00 10.24 C ATOM 0 H PHE A 75 6.770 4.372 5.333 1.00 11.22 H new ATOM 0 HA PHE A 75 4.193 5.492 6.262 1.00 51.52 H new ATOM 0 HB2 PHE A 75 5.356 2.681 6.371 1.00 13.23 H new ATOM 0 HB3 PHE A 75 3.811 3.144 7.055 1.00 13.23 H new ATOM 0 HD1 PHE A 75 2.067 4.170 5.412 1.00 35.01 H new ATOM 0 HD2 PHE A 75 5.472 1.942 4.141 1.00 4.34 H new ATOM 0 HE1 PHE A 75 0.960 3.702 3.274 1.00 14.31 H new ATOM 0 HE2 PHE A 75 4.366 1.481 1.995 1.00 60.32 H new ATOM 0 HZ PHE A 75 2.108 2.357 1.559 1.00 10.24 H new ATOM 1246 N GLU A 76 6.567 4.171 8.202 1.00 54.12 N ATOM 1247 CA GLU A 76 7.292 4.300 9.474 1.00 4.31 C ATOM 1248 C GLU A 76 8.591 5.105 9.293 1.00 23.54 C ATOM 1249 O GLU A 76 8.648 6.293 9.610 1.00 41.54 O ATOM 1250 CB GLU A 76 7.606 2.908 10.049 1.00 5.43 C ATOM 1251 CG GLU A 76 6.451 2.258 10.796 1.00 21.03 C ATOM 1252 CD GLU A 76 6.176 2.930 12.132 1.00 71.32 C ATOM 1253 OE1 GLU A 76 6.935 2.672 13.091 1.00 5.32 O ATOM 1254 OE2 GLU A 76 5.222 3.723 12.222 1.00 12.45 O ATOM 0 H GLU A 76 6.892 3.401 7.617 1.00 54.12 H new ATOM 0 HA GLU A 76 6.654 4.840 10.174 1.00 4.31 H new ATOM 0 HB2 GLU A 76 7.909 2.252 9.233 1.00 5.43 H new ATOM 0 HB3 GLU A 76 8.458 2.992 10.724 1.00 5.43 H new ATOM 0 HG2 GLU A 76 5.553 2.300 10.179 1.00 21.03 H new ATOM 0 HG3 GLU A 76 6.675 1.204 10.961 1.00 21.03 H new ATOM 1261 N GLY A 77 9.629 4.447 8.775 1.00 51.44 N ATOM 1262 CA GLY A 77 10.905 5.117 8.529 1.00 5.35 C ATOM 1263 C GLY A 77 11.535 4.715 7.202 1.00 43.22 C ATOM 1264 O GLY A 77 12.079 5.554 6.478 1.00 2.53 O ATOM 0 H GLY A 77 9.612 3.460 8.520 1.00 51.44 H new ATOM 0 HA2 GLY A 77 10.752 6.196 8.542 1.00 5.35 H new ATOM 0 HA3 GLY A 77 11.595 4.883 9.340 1.00 5.35 H new ATOM 1268 N THR A 78 11.461 3.425 6.883 1.00 32.44 N ATOM 1269 CA THR A 78 12.008 2.897 5.627 1.00 44.02 C ATOM 1270 C THR A 78 11.284 3.488 4.411 1.00 63.42 C ATOM 1271 O THR A 78 10.257 2.968 3.972 1.00 62.11 O ATOM 1272 CB THR A 78 11.915 1.352 5.573 1.00 64.24 C ATOM 1273 OG1 THR A 78 12.440 0.788 6.785 1.00 31.25 O ATOM 1274 CG2 THR A 78 12.681 0.786 4.375 1.00 11.32 C ATOM 0 H THR A 78 11.026 2.720 7.478 1.00 32.44 H new ATOM 0 HA THR A 78 13.057 3.190 5.595 1.00 44.02 H new ATOM 0 HB THR A 78 10.864 1.085 5.464 1.00 64.24 H new ATOM 0 HG1 THR A 78 12.377 -0.189 6.745 1.00 31.25 H new ATOM 0 HG21 THR A 78 12.594 -0.301 4.368 1.00 11.32 H new ATOM 0 HG22 THR A 78 12.263 1.189 3.453 1.00 11.32 H new ATOM 0 HG23 THR A 78 13.732 1.066 4.450 1.00 11.32 H new ATOM 1282 N GLY A 79 11.819 4.585 3.886 1.00 64.12 N ATOM 1283 CA GLY A 79 11.198 5.271 2.756 1.00 23.22 C ATOM 1284 C GLY A 79 12.022 5.190 1.476 1.00 5.14 C ATOM 1285 O GLY A 79 13.228 4.920 1.513 1.00 45.33 O ATOM 0 H GLY A 79 12.679 5.018 4.223 1.00 64.12 H new ATOM 0 HA2 GLY A 79 10.214 4.840 2.574 1.00 23.22 H new ATOM 0 HA3 GLY A 79 11.044 6.318 3.015 1.00 23.22 H new ATOM 1289 N PHE A 80 11.370 5.428 0.340 1.00 75.43 N ATOM 1290 CA PHE A 80 12.028 5.371 -0.971 1.00 32.53 C ATOM 1291 C PHE A 80 11.673 6.593 -1.832 1.00 3.33 C ATOM 1292 O PHE A 80 10.619 7.205 -1.656 1.00 33.25 O ATOM 1293 CB PHE A 80 11.642 4.075 -1.705 1.00 52.44 C ATOM 1294 CG PHE A 80 12.192 2.823 -1.057 1.00 2.42 C ATOM 1295 CD1 PHE A 80 11.541 2.225 0.015 1.00 23.43 C ATOM 1296 CD2 PHE A 80 13.367 2.251 -1.519 1.00 74.14 C ATOM 1297 CE1 PHE A 80 12.052 1.087 0.610 1.00 65.01 C ATOM 1298 CE2 PHE A 80 13.882 1.112 -0.929 1.00 21.02 C ATOM 1299 CZ PHE A 80 13.225 0.530 0.137 1.00 0.34 C ATOM 0 H PHE A 80 10.379 5.664 0.298 1.00 75.43 H new ATOM 0 HA PHE A 80 13.105 5.380 -0.804 1.00 32.53 H new ATOM 0 HB2 PHE A 80 10.555 4.003 -1.750 1.00 52.44 H new ATOM 0 HB3 PHE A 80 12.001 4.129 -2.733 1.00 52.44 H new ATOM 0 HD1 PHE A 80 10.623 2.655 0.388 1.00 23.43 H new ATOM 0 HD2 PHE A 80 13.887 2.701 -2.351 1.00 74.14 H new ATOM 0 HE1 PHE A 80 11.535 0.634 1.443 1.00 65.01 H new ATOM 0 HE2 PHE A 80 14.798 0.677 -1.302 1.00 21.02 H new ATOM 0 HZ PHE A 80 13.627 -0.359 0.600 1.00 0.34 H new ATOM 1309 N SER A 81 12.561 6.935 -2.770 1.00 14.40 N ATOM 1310 CA SER A 81 12.359 8.088 -3.668 1.00 32.42 C ATOM 1311 C SER A 81 11.090 7.947 -4.520 1.00 13.22 C ATOM 1312 O SER A 81 10.510 8.941 -4.959 1.00 61.12 O ATOM 1313 CB SER A 81 13.579 8.267 -4.589 1.00 53.32 C ATOM 1314 OG SER A 81 13.356 9.268 -5.577 1.00 12.21 O ATOM 0 H SER A 81 13.432 6.430 -2.932 1.00 14.40 H new ATOM 0 HA SER A 81 12.239 8.967 -3.035 1.00 32.42 H new ATOM 0 HB2 SER A 81 14.450 8.535 -3.990 1.00 53.32 H new ATOM 0 HB3 SER A 81 13.808 7.320 -5.077 1.00 53.32 H new ATOM 0 HG SER A 81 14.153 9.354 -6.141 1.00 12.21 H new ATOM 1320 N ASN A 82 10.659 6.709 -4.754 1.00 22.11 N ATOM 1321 CA ASN A 82 9.460 6.444 -5.561 1.00 2.03 C ATOM 1322 C ASN A 82 8.500 5.496 -4.830 1.00 60.31 C ATOM 1323 O ASN A 82 8.931 4.489 -4.258 1.00 34.31 O ATOM 1324 CB ASN A 82 9.845 5.824 -6.912 1.00 32.22 C ATOM 1325 CG ASN A 82 10.845 6.664 -7.686 1.00 75.20 C ATOM 1326 OD1 ASN A 82 10.473 7.517 -8.483 1.00 42.04 O ATOM 1327 ND2 ASN A 82 12.124 6.426 -7.466 1.00 72.42 N ATOM 0 H ASN A 82 11.119 5.871 -4.398 1.00 22.11 H new ATOM 0 HA ASN A 82 8.960 7.398 -5.726 1.00 2.03 H new ATOM 0 HB2 ASN A 82 10.265 4.832 -6.744 1.00 32.22 H new ATOM 0 HB3 ASN A 82 8.946 5.692 -7.514 1.00 32.22 H new ATOM 0 HD21 ASN A 82 12.835 6.959 -7.966 1.00 72.42 H new ATOM 0 HD22 ASN A 82 12.401 5.709 -6.796 1.00 72.42 H new ATOM 1334 N ILE A 83 7.201 5.807 -4.868 1.00 62.31 N ATOM 1335 CA ILE A 83 6.176 4.912 -4.308 1.00 15.13 C ATOM 1336 C ILE A 83 6.276 3.490 -4.905 1.00 32.21 C ATOM 1337 O ILE A 83 6.254 2.503 -4.163 1.00 22.44 O ATOM 1338 CB ILE A 83 4.739 5.468 -4.522 1.00 53.33 C ATOM 1339 CG1 ILE A 83 4.528 6.748 -3.695 1.00 43.02 C ATOM 1340 CG2 ILE A 83 3.689 4.414 -4.167 1.00 32.33 C ATOM 1341 CD1 ILE A 83 3.142 7.352 -3.824 1.00 73.21 C ATOM 0 H ILE A 83 6.833 6.666 -5.277 1.00 62.31 H new ATOM 0 HA ILE A 83 6.368 4.858 -3.236 1.00 15.13 H new ATOM 0 HB ILE A 83 4.623 5.717 -5.577 1.00 53.33 H new ATOM 0 HG12 ILE A 83 4.718 6.524 -2.645 1.00 43.02 H new ATOM 0 HG13 ILE A 83 5.265 7.490 -4.001 1.00 43.02 H new ATOM 0 HG21 ILE A 83 2.692 4.826 -4.325 1.00 32.33 H new ATOM 0 HG22 ILE A 83 3.824 3.538 -4.801 1.00 32.33 H new ATOM 0 HG23 ILE A 83 3.801 4.126 -3.122 1.00 32.33 H new ATOM 0 HD11 ILE A 83 3.078 8.250 -3.210 1.00 73.21 H new ATOM 0 HD12 ILE A 83 2.953 7.611 -4.866 1.00 73.21 H new ATOM 0 HD13 ILE A 83 2.398 6.630 -3.489 1.00 73.21 H new ATOM 1353 N PRO A 84 6.394 3.352 -6.252 1.00 21.02 N ATOM 1354 CA PRO A 84 6.589 2.037 -6.885 1.00 61.54 C ATOM 1355 C PRO A 84 7.749 1.240 -6.258 1.00 71.41 C ATOM 1356 O PRO A 84 7.651 0.030 -6.086 1.00 23.23 O ATOM 1357 CB PRO A 84 6.899 2.379 -8.348 1.00 43.30 C ATOM 1358 CG PRO A 84 6.284 3.718 -8.578 1.00 35.53 C ATOM 1359 CD PRO A 84 6.318 4.439 -7.255 1.00 75.31 C ATOM 0 HA PRO A 84 5.714 1.400 -6.761 1.00 61.54 H new ATOM 0 HB2 PRO A 84 7.974 2.404 -8.527 1.00 43.30 H new ATOM 0 HB3 PRO A 84 6.481 1.633 -9.024 1.00 43.30 H new ATOM 0 HG2 PRO A 84 6.836 4.273 -9.336 1.00 35.53 H new ATOM 0 HG3 PRO A 84 5.260 3.618 -8.939 1.00 35.53 H new ATOM 0 HD2 PRO A 84 7.178 5.105 -7.186 1.00 75.31 H new ATOM 0 HD3 PRO A 84 5.428 5.052 -7.112 1.00 75.31 H new ATOM 1367 N GLN A 85 8.839 1.931 -5.907 1.00 50.14 N ATOM 1368 CA GLN A 85 10.004 1.285 -5.281 1.00 54.31 C ATOM 1369 C GLN A 85 9.728 0.909 -3.814 1.00 34.12 C ATOM 1370 O GLN A 85 10.179 -0.133 -3.340 1.00 33.22 O ATOM 1371 CB GLN A 85 11.244 2.190 -5.373 1.00 4.34 C ATOM 1372 CG GLN A 85 11.877 2.234 -6.759 1.00 24.12 C ATOM 1373 CD GLN A 85 12.399 0.873 -7.206 1.00 23.32 C ATOM 1374 OE1 GLN A 85 13.536 0.510 -6.928 1.00 24.12 O ATOM 1375 NE2 GLN A 85 11.577 0.116 -7.905 1.00 21.44 N ATOM 0 H GLN A 85 8.941 2.936 -6.044 1.00 50.14 H new ATOM 0 HA GLN A 85 10.197 0.364 -5.831 1.00 54.31 H new ATOM 0 HB2 GLN A 85 10.965 3.202 -5.080 1.00 4.34 H new ATOM 0 HB3 GLN A 85 11.988 1.844 -4.656 1.00 4.34 H new ATOM 0 HG2 GLN A 85 11.142 2.592 -7.480 1.00 24.12 H new ATOM 0 HG3 GLN A 85 12.697 2.952 -6.758 1.00 24.12 H new ATOM 0 HE21 GLN A 85 10.637 0.447 -8.120 1.00 21.44 H new ATOM 0 HE22 GLN A 85 11.881 -0.801 -8.231 1.00 21.44 H new ATOM 1384 N LEU A 86 9.001 1.765 -3.102 1.00 13.51 N ATOM 1385 CA LEU A 86 8.573 1.465 -1.729 1.00 51.32 C ATOM 1386 C LEU A 86 7.867 0.099 -1.665 1.00 51.42 C ATOM 1387 O LEU A 86 8.250 -0.793 -0.887 1.00 35.54 O ATOM 1388 CB LEU A 86 7.642 2.583 -1.228 1.00 21.13 C ATOM 1389 CG LEU A 86 7.093 2.420 0.202 1.00 31.24 C ATOM 1390 CD1 LEU A 86 8.229 2.355 1.224 1.00 71.33 C ATOM 1391 CD2 LEU A 86 6.132 3.561 0.537 1.00 14.52 C ATOM 0 H LEU A 86 8.693 2.674 -3.448 1.00 13.51 H new ATOM 0 HA LEU A 86 9.451 1.416 -1.084 1.00 51.32 H new ATOM 0 HB2 LEU A 86 8.182 3.528 -1.282 1.00 21.13 H new ATOM 0 HB3 LEU A 86 6.797 2.658 -1.913 1.00 21.13 H new ATOM 0 HG LEU A 86 6.546 1.479 0.250 1.00 31.24 H new ATOM 0 HD11 LEU A 86 7.812 2.240 2.225 1.00 71.33 H new ATOM 0 HD12 LEU A 86 8.873 1.505 0.999 1.00 71.33 H new ATOM 0 HD13 LEU A 86 8.813 3.274 1.178 1.00 71.33 H new ATOM 0 HD21 LEU A 86 5.753 3.431 1.551 1.00 14.52 H new ATOM 0 HD22 LEU A 86 6.658 4.513 0.465 1.00 14.52 H new ATOM 0 HD23 LEU A 86 5.299 3.553 -0.166 1.00 14.52 H new ATOM 1403 N ILE A 87 6.849 -0.062 -2.508 1.00 53.15 N ATOM 1404 CA ILE A 87 6.125 -1.330 -2.620 1.00 33.32 C ATOM 1405 C ILE A 87 7.017 -2.431 -3.222 1.00 24.21 C ATOM 1406 O ILE A 87 7.065 -3.538 -2.703 1.00 33.12 O ATOM 1407 CB ILE A 87 4.843 -1.163 -3.476 1.00 42.44 C ATOM 1408 CG1 ILE A 87 3.918 -0.095 -2.859 1.00 71.34 C ATOM 1409 CG2 ILE A 87 4.108 -2.499 -3.626 1.00 13.05 C ATOM 1410 CD1 ILE A 87 3.450 -0.418 -1.455 1.00 32.23 C ATOM 0 H ILE A 87 6.505 0.672 -3.127 1.00 53.15 H new ATOM 0 HA ILE A 87 5.838 -1.630 -1.612 1.00 33.32 H new ATOM 0 HB ILE A 87 5.137 -0.829 -4.471 1.00 42.44 H new ATOM 0 HG12 ILE A 87 4.443 0.860 -2.845 1.00 71.34 H new ATOM 0 HG13 ILE A 87 3.046 0.030 -3.501 1.00 71.34 H new ATOM 0 HG21 ILE A 87 3.212 -2.356 -4.230 1.00 13.05 H new ATOM 0 HG22 ILE A 87 4.763 -3.222 -4.113 1.00 13.05 H new ATOM 0 HG23 ILE A 87 3.825 -2.871 -2.641 1.00 13.05 H new ATOM 0 HD11 ILE A 87 2.804 0.382 -1.094 1.00 32.23 H new ATOM 0 HD12 ILE A 87 2.895 -1.356 -1.463 1.00 32.23 H new ATOM 0 HD13 ILE A 87 4.313 -0.513 -0.796 1.00 32.23 H new ATOM 1422 N ASP A 88 7.742 -2.106 -4.296 1.00 70.32 N ATOM 1423 CA ASP A 88 8.640 -3.060 -4.977 1.00 12.54 C ATOM 1424 C ASP A 88 9.603 -3.756 -3.997 1.00 44.21 C ATOM 1425 O ASP A 88 9.677 -4.983 -3.945 1.00 1.43 O ATOM 1426 CB ASP A 88 9.439 -2.321 -6.065 1.00 20.35 C ATOM 1427 CG ASP A 88 10.603 -3.132 -6.622 1.00 42.34 C ATOM 1428 OD1 ASP A 88 11.716 -3.045 -6.058 1.00 23.42 O ATOM 1429 OD2 ASP A 88 10.423 -3.842 -7.632 1.00 60.22 O ATOM 0 H ASP A 88 7.728 -1.179 -4.721 1.00 70.32 H new ATOM 0 HA ASP A 88 8.022 -3.837 -5.427 1.00 12.54 H new ATOM 0 HB2 ASP A 88 8.767 -2.057 -6.882 1.00 20.35 H new ATOM 0 HB3 ASP A 88 9.822 -1.387 -5.652 1.00 20.35 H new ATOM 1434 N HIS A 89 10.332 -2.967 -3.218 1.00 62.20 N ATOM 1435 CA HIS A 89 11.329 -3.515 -2.296 1.00 22.22 C ATOM 1436 C HIS A 89 10.681 -4.320 -1.161 1.00 52.51 C ATOM 1437 O HIS A 89 11.184 -5.376 -0.790 1.00 45.13 O ATOM 1438 CB HIS A 89 12.221 -2.398 -1.740 1.00 40.40 C ATOM 1439 CG HIS A 89 13.172 -1.833 -2.759 1.00 11.34 C ATOM 1440 ND1 HIS A 89 14.538 -2.032 -2.711 1.00 23.14 N ATOM 1441 CD2 HIS A 89 12.953 -1.059 -3.851 1.00 52.02 C ATOM 1442 CE1 HIS A 89 15.110 -1.408 -3.721 1.00 44.42 C ATOM 1443 NE2 HIS A 89 14.172 -0.813 -4.425 1.00 32.11 N ATOM 0 H HIS A 89 10.255 -1.950 -3.203 1.00 62.20 H new ATOM 0 HA HIS A 89 11.953 -4.207 -2.861 1.00 22.22 H new ATOM 0 HB2 HIS A 89 11.590 -1.595 -1.358 1.00 40.40 H new ATOM 0 HB3 HIS A 89 12.792 -2.785 -0.896 1.00 40.40 H new ATOM 0 HD2 HIS A 89 11.996 -0.703 -4.202 1.00 52.02 H new ATOM 0 HE1 HIS A 89 16.169 -1.389 -3.934 1.00 44.42 H new ATOM 0 HE2 HIS A 89 14.328 -0.256 -5.265 1.00 32.11 H new ATOM 1452 N HIS A 90 9.559 -3.842 -0.615 1.00 34.32 N ATOM 1453 CA HIS A 90 8.850 -4.600 0.433 1.00 1.40 C ATOM 1454 C HIS A 90 8.140 -5.843 -0.137 1.00 20.12 C ATOM 1455 O HIS A 90 7.997 -6.855 0.548 1.00 35.42 O ATOM 1456 CB HIS A 90 7.851 -3.701 1.172 1.00 11.33 C ATOM 1457 CG HIS A 90 8.509 -2.762 2.136 1.00 41.30 C ATOM 1458 ND1 HIS A 90 8.779 -1.443 1.845 1.00 14.34 N ATOM 1459 CD2 HIS A 90 8.969 -2.967 3.392 1.00 50.12 C ATOM 1460 CE1 HIS A 90 9.382 -0.883 2.875 1.00 61.02 C ATOM 1461 NE2 HIS A 90 9.511 -1.784 3.829 1.00 45.34 N ATOM 0 H HIS A 90 9.126 -2.955 -0.870 1.00 34.32 H new ATOM 0 HA HIS A 90 9.600 -4.948 1.144 1.00 1.40 H new ATOM 0 HB2 HIS A 90 7.282 -3.124 0.443 1.00 11.33 H new ATOM 0 HB3 HIS A 90 7.139 -4.326 1.711 1.00 11.33 H new ATOM 0 HD1 HIS A 90 8.548 -0.973 0.970 1.00 14.34 H new ATOM 0 HD2 HIS A 90 8.919 -3.891 3.948 1.00 50.12 H new ATOM 0 HE1 HIS A 90 9.715 0.143 2.928 1.00 61.02 H new ATOM 1470 N TYR A 91 7.717 -5.758 -1.393 1.00 70.11 N ATOM 1471 CA TYR A 91 7.036 -6.866 -2.077 1.00 20.11 C ATOM 1472 C TYR A 91 8.020 -7.996 -2.421 1.00 41.32 C ATOM 1473 O TYR A 91 7.812 -9.151 -2.055 1.00 63.44 O ATOM 1474 CB TYR A 91 6.363 -6.338 -3.355 1.00 40.03 C ATOM 1475 CG TYR A 91 5.628 -7.387 -4.172 1.00 42.25 C ATOM 1476 CD1 TYR A 91 4.293 -7.685 -3.921 1.00 74.31 C ATOM 1477 CD2 TYR A 91 6.269 -8.075 -5.199 1.00 10.02 C ATOM 1478 CE1 TYR A 91 3.621 -8.635 -4.665 1.00 12.35 C ATOM 1479 CE2 TYR A 91 5.603 -9.025 -5.947 1.00 62.50 C ATOM 1480 CZ TYR A 91 4.280 -9.301 -5.677 1.00 54.15 C ATOM 1481 OH TYR A 91 3.617 -10.257 -6.420 1.00 62.21 O ATOM 0 H TYR A 91 7.833 -4.925 -1.970 1.00 70.11 H new ATOM 0 HA TYR A 91 6.280 -7.277 -1.408 1.00 20.11 H new ATOM 0 HB2 TYR A 91 5.658 -5.554 -3.079 1.00 40.03 H new ATOM 0 HB3 TYR A 91 7.124 -5.876 -3.984 1.00 40.03 H new ATOM 0 HD1 TYR A 91 3.773 -7.165 -3.131 1.00 74.31 H new ATOM 0 HD2 TYR A 91 7.306 -7.862 -5.414 1.00 10.02 H new ATOM 0 HE1 TYR A 91 2.585 -8.855 -4.455 1.00 12.35 H new ATOM 0 HE2 TYR A 91 6.116 -9.549 -6.740 1.00 62.50 H new ATOM 0 HH TYR A 91 4.225 -10.629 -7.092 1.00 62.21 H new ATOM 1491 N THR A 92 9.094 -7.643 -3.129 1.00 61.35 N ATOM 1492 CA THR A 92 10.114 -8.616 -3.547 1.00 52.35 C ATOM 1493 C THR A 92 10.768 -9.319 -2.349 1.00 71.42 C ATOM 1494 O THR A 92 10.940 -10.539 -2.354 1.00 34.23 O ATOM 1495 CB THR A 92 11.217 -7.948 -4.405 1.00 45.24 C ATOM 1496 OG1 THR A 92 11.817 -6.859 -3.681 1.00 0.30 O ATOM 1497 CG2 THR A 92 10.650 -7.438 -5.729 1.00 54.30 C ATOM 0 H THR A 92 9.284 -6.686 -3.428 1.00 61.35 H new ATOM 0 HA THR A 92 9.592 -9.362 -4.147 1.00 52.35 H new ATOM 0 HB THR A 92 11.976 -8.699 -4.622 1.00 45.24 H new ATOM 0 HG1 THR A 92 11.202 -6.096 -3.668 1.00 0.30 H new ATOM 0 HG21 THR A 92 11.446 -6.974 -6.311 1.00 54.30 H new ATOM 0 HG22 THR A 92 10.229 -8.272 -6.290 1.00 54.30 H new ATOM 0 HG23 THR A 92 9.869 -6.703 -5.532 1.00 54.30 H new ATOM 1505 N THR A 93 11.134 -8.548 -1.324 1.00 54.12 N ATOM 1506 CA THR A 93 11.703 -9.128 -0.093 1.00 34.43 C ATOM 1507 C THR A 93 10.641 -9.874 0.720 1.00 34.34 C ATOM 1508 O THR A 93 10.971 -10.729 1.547 1.00 72.42 O ATOM 1509 CB THR A 93 12.354 -8.060 0.819 1.00 13.34 C ATOM 1510 OG1 THR A 93 11.373 -7.099 1.241 1.00 70.53 O ATOM 1511 CG2 THR A 93 13.500 -7.351 0.104 1.00 31.21 C ATOM 0 H THR A 93 11.051 -7.531 -1.315 1.00 54.12 H new ATOM 0 HA THR A 93 12.472 -9.824 -0.426 1.00 34.43 H new ATOM 0 HB THR A 93 12.758 -8.568 1.695 1.00 13.34 H new ATOM 0 HG1 THR A 93 11.409 -6.315 0.653 1.00 70.53 H new ATOM 0 HG21 THR A 93 13.938 -6.606 0.769 1.00 31.21 H new ATOM 0 HG22 THR A 93 14.261 -8.080 -0.176 1.00 31.21 H new ATOM 0 HG23 THR A 93 13.121 -6.859 -0.792 1.00 31.21 H new ATOM 1519 N LYS A 94 9.369 -9.540 0.481 1.00 22.13 N ATOM 1520 CA LYS A 94 8.237 -10.197 1.148 1.00 13.32 C ATOM 1521 C LYS A 94 8.204 -9.844 2.649 1.00 40.34 C ATOM 1522 O LYS A 94 7.765 -10.638 3.484 1.00 33.33 O ATOM 1523 CB LYS A 94 8.328 -11.722 0.945 1.00 2.25 C ATOM 1524 CG LYS A 94 7.036 -12.483 1.224 1.00 72.23 C ATOM 1525 CD LYS A 94 5.921 -12.073 0.267 1.00 22.54 C ATOM 1526 CE LYS A 94 4.718 -12.999 0.372 1.00 0.35 C ATOM 1527 NZ LYS A 94 5.075 -14.400 0.027 1.00 22.32 N ATOM 0 H LYS A 94 9.094 -8.810 -0.177 1.00 22.13 H new ATOM 0 HA LYS A 94 7.309 -9.837 0.703 1.00 13.32 H new ATOM 0 HB2 LYS A 94 8.635 -11.920 -0.082 1.00 2.25 H new ATOM 0 HB3 LYS A 94 9.111 -12.114 1.593 1.00 2.25 H new ATOM 0 HG2 LYS A 94 7.218 -13.554 1.133 1.00 72.23 H new ATOM 0 HG3 LYS A 94 6.720 -12.299 2.251 1.00 72.23 H new ATOM 0 HD2 LYS A 94 5.613 -11.050 0.485 1.00 22.54 H new ATOM 0 HD3 LYS A 94 6.298 -12.081 -0.756 1.00 22.54 H new ATOM 0 HE2 LYS A 94 4.318 -12.964 1.385 1.00 0.35 H new ATOM 0 HE3 LYS A 94 3.929 -12.649 -0.294 1.00 0.35 H new ATOM 0 HZ1 LYS A 94 4.213 -14.927 -0.222 1.00 22.32 H new ATOM 0 HZ2 LYS A 94 5.728 -14.403 -0.782 1.00 22.32 H new ATOM 0 HZ3 LYS A 94 5.533 -14.853 0.844 1.00 22.32 H new ATOM 1541 N GLN A 95 8.647 -8.633 2.976 1.00 1.55 N ATOM 1542 CA GLN A 95 8.721 -8.184 4.373 1.00 3.04 C ATOM 1543 C GLN A 95 7.471 -7.401 4.802 1.00 72.33 C ATOM 1544 O GLN A 95 6.565 -7.156 4.003 1.00 0.40 O ATOM 1545 CB GLN A 95 9.975 -7.324 4.588 1.00 31.42 C ATOM 1546 CG GLN A 95 11.277 -8.103 4.470 1.00 15.23 C ATOM 1547 CD GLN A 95 11.388 -9.214 5.500 1.00 43.54 C ATOM 1548 OE1 GLN A 95 10.977 -10.346 5.261 1.00 32.42 O ATOM 1549 NE2 GLN A 95 11.942 -8.900 6.655 1.00 15.25 N ATOM 0 H GLN A 95 8.961 -7.941 2.296 1.00 1.55 H new ATOM 0 HA GLN A 95 8.777 -9.078 4.995 1.00 3.04 H new ATOM 0 HB2 GLN A 95 9.979 -6.514 3.859 1.00 31.42 H new ATOM 0 HB3 GLN A 95 9.925 -6.864 5.575 1.00 31.42 H new ATOM 0 HG2 GLN A 95 11.351 -8.531 3.470 1.00 15.23 H new ATOM 0 HG3 GLN A 95 12.117 -7.419 4.587 1.00 15.23 H new ATOM 0 HE21 GLN A 95 12.273 -7.949 6.820 1.00 15.25 H new ATOM 0 HE22 GLN A 95 12.040 -9.608 7.383 1.00 15.25 H new ATOM 1558 N VAL A 96 7.441 -7.006 6.075 1.00 54.15 N ATOM 1559 CA VAL A 96 6.301 -6.277 6.642 1.00 62.40 C ATOM 1560 C VAL A 96 6.372 -4.769 6.344 1.00 71.23 C ATOM 1561 O VAL A 96 7.442 -4.225 6.058 1.00 23.31 O ATOM 1562 CB VAL A 96 6.216 -6.480 8.178 1.00 71.44 C ATOM 1563 CG1 VAL A 96 6.072 -7.961 8.519 1.00 0.04 C ATOM 1564 CG2 VAL A 96 7.434 -5.877 8.879 1.00 60.33 C ATOM 0 H VAL A 96 8.197 -7.179 6.738 1.00 54.15 H new ATOM 0 HA VAL A 96 5.409 -6.686 6.167 1.00 62.40 H new ATOM 0 HB VAL A 96 5.329 -5.959 8.539 1.00 71.44 H new ATOM 0 HG11 VAL A 96 6.014 -8.081 9.601 1.00 0.04 H new ATOM 0 HG12 VAL A 96 5.164 -8.353 8.061 1.00 0.04 H new ATOM 0 HG13 VAL A 96 6.935 -8.507 8.139 1.00 0.04 H new ATOM 0 HG21 VAL A 96 7.349 -6.033 9.954 1.00 60.33 H new ATOM 0 HG22 VAL A 96 8.340 -6.359 8.513 1.00 60.33 H new ATOM 0 HG23 VAL A 96 7.482 -4.808 8.670 1.00 60.33 H new ATOM 1574 N ILE A 97 5.219 -4.103 6.404 1.00 74.12 N ATOM 1575 CA ILE A 97 5.153 -2.646 6.248 1.00 13.15 C ATOM 1576 C ILE A 97 5.593 -1.929 7.539 1.00 22.35 C ATOM 1577 O ILE A 97 6.666 -1.321 7.595 1.00 1.22 O ATOM 1578 CB ILE A 97 3.718 -2.192 5.867 1.00 13.34 C ATOM 1579 CG1 ILE A 97 3.262 -2.872 4.564 1.00 24.13 C ATOM 1580 CG2 ILE A 97 3.646 -0.669 5.728 1.00 71.05 C ATOM 1581 CD1 ILE A 97 4.116 -2.528 3.357 1.00 50.21 C ATOM 0 H ILE A 97 4.315 -4.549 6.560 1.00 74.12 H new ATOM 0 HA ILE A 97 5.837 -2.375 5.443 1.00 13.15 H new ATOM 0 HB ILE A 97 3.045 -2.494 6.669 1.00 13.34 H new ATOM 0 HG12 ILE A 97 3.272 -3.952 4.707 1.00 24.13 H new ATOM 0 HG13 ILE A 97 2.230 -2.587 4.359 1.00 24.13 H new ATOM 0 HG21 ILE A 97 2.631 -0.376 5.461 1.00 71.05 H new ATOM 0 HG22 ILE A 97 3.921 -0.204 6.675 1.00 71.05 H new ATOM 0 HG23 ILE A 97 4.335 -0.342 4.949 1.00 71.05 H new ATOM 0 HD11 ILE A 97 3.730 -3.046 2.479 1.00 50.21 H new ATOM 0 HD12 ILE A 97 4.087 -1.452 3.185 1.00 50.21 H new ATOM 0 HD13 ILE A 97 5.145 -2.839 3.539 1.00 50.21 H new ATOM 1593 N THR A 98 4.757 -2.007 8.574 1.00 63.34 N ATOM 1594 CA THR A 98 5.065 -1.408 9.882 1.00 55.23 C ATOM 1595 C THR A 98 5.249 -2.489 10.954 1.00 45.41 C ATOM 1596 O THR A 98 4.447 -3.423 11.053 1.00 64.11 O ATOM 1597 CB THR A 98 3.944 -0.447 10.351 1.00 14.22 C ATOM 1598 OG1 THR A 98 2.734 -1.180 10.592 1.00 12.33 O ATOM 1599 CG2 THR A 98 3.684 0.645 9.316 1.00 21.20 C ATOM 0 H THR A 98 3.855 -2.481 8.536 1.00 63.34 H new ATOM 0 HA THR A 98 5.991 -0.848 9.754 1.00 55.23 H new ATOM 0 HB THR A 98 4.274 0.026 11.276 1.00 14.22 H new ATOM 0 HG1 THR A 98 2.032 -0.564 10.890 1.00 12.33 H new ATOM 0 HG21 THR A 98 2.892 1.304 9.673 1.00 21.20 H new ATOM 0 HG22 THR A 98 4.595 1.223 9.161 1.00 21.20 H new ATOM 0 HG23 THR A 98 3.379 0.189 8.374 1.00 21.20 H new ATOM 1607 N LYS A 99 6.297 -2.354 11.769 1.00 31.02 N ATOM 1608 CA LYS A 99 6.584 -3.332 12.829 1.00 44.31 C ATOM 1609 C LYS A 99 5.476 -3.380 13.896 1.00 41.24 C ATOM 1610 O LYS A 99 5.400 -4.328 14.677 1.00 55.01 O ATOM 1611 CB LYS A 99 7.933 -3.020 13.496 1.00 53.42 C ATOM 1612 CG LYS A 99 9.133 -3.113 12.554 1.00 41.01 C ATOM 1613 CD LYS A 99 9.305 -4.511 11.958 1.00 73.40 C ATOM 1614 CE LYS A 99 9.476 -5.585 13.031 1.00 34.05 C ATOM 1615 NZ LYS A 99 10.621 -5.302 13.938 1.00 12.23 N ATOM 0 H LYS A 99 6.961 -1.581 11.719 1.00 31.02 H new ATOM 0 HA LYS A 99 6.628 -4.312 12.353 1.00 44.31 H new ATOM 0 HB2 LYS A 99 7.893 -2.016 13.918 1.00 53.42 H new ATOM 0 HB3 LYS A 99 8.083 -3.709 14.327 1.00 53.42 H new ATOM 0 HG2 LYS A 99 9.014 -2.390 11.747 1.00 41.01 H new ATOM 0 HG3 LYS A 99 10.038 -2.839 13.096 1.00 41.01 H new ATOM 0 HD2 LYS A 99 8.437 -4.750 11.344 1.00 73.40 H new ATOM 0 HD3 LYS A 99 10.173 -4.518 11.299 1.00 73.40 H new ATOM 0 HE2 LYS A 99 8.560 -5.658 13.618 1.00 34.05 H new ATOM 0 HE3 LYS A 99 9.626 -6.553 12.552 1.00 34.05 H new ATOM 0 HZ1 LYS A 99 10.770 -6.113 14.572 1.00 12.23 H new ATOM 0 HZ2 LYS A 99 11.479 -5.141 13.373 1.00 12.23 H new ATOM 0 HZ3 LYS A 99 10.414 -4.454 14.504 1.00 12.23 H new ATOM 1629 N LYS A 100 4.632 -2.349 13.937 1.00 41.22 N ATOM 1630 CA LYS A 100 3.499 -2.312 14.875 1.00 3.14 C ATOM 1631 C LYS A 100 2.353 -3.236 14.422 1.00 32.12 C ATOM 1632 O LYS A 100 1.671 -3.847 15.249 1.00 61.12 O ATOM 1633 CB LYS A 100 2.965 -0.875 15.047 1.00 64.52 C ATOM 1634 CG LYS A 100 3.831 0.020 15.934 1.00 31.01 C ATOM 1635 CD LYS A 100 5.177 0.358 15.299 1.00 74.14 C ATOM 1636 CE LYS A 100 6.031 1.214 16.227 1.00 4.43 C ATOM 1637 NZ LYS A 100 7.307 1.625 15.593 1.00 12.33 N ATOM 0 H LYS A 100 4.707 -1.529 13.336 1.00 41.22 H new ATOM 0 HA LYS A 100 3.873 -2.670 15.834 1.00 3.14 H new ATOM 0 HB2 LYS A 100 2.876 -0.414 14.063 1.00 64.52 H new ATOM 0 HB3 LYS A 100 1.961 -0.922 15.469 1.00 64.52 H new ATOM 0 HG2 LYS A 100 3.292 0.944 16.146 1.00 31.01 H new ATOM 0 HG3 LYS A 100 4.000 -0.477 16.889 1.00 31.01 H new ATOM 0 HD2 LYS A 100 5.709 -0.563 15.059 1.00 74.14 H new ATOM 0 HD3 LYS A 100 5.015 0.887 14.360 1.00 74.14 H new ATOM 0 HE2 LYS A 100 5.470 2.102 16.519 1.00 4.43 H new ATOM 0 HE3 LYS A 100 6.243 0.657 17.139 1.00 4.43 H new ATOM 0 HZ1 LYS A 100 7.877 2.162 16.277 1.00 12.33 H new ATOM 0 HZ2 LYS A 100 7.833 0.780 15.292 1.00 12.33 H new ATOM 0 HZ3 LYS A 100 7.107 2.222 14.765 1.00 12.33 H new ATOM 1651 N SER A 101 2.141 -3.331 13.111 1.00 53.51 N ATOM 1652 CA SER A 101 1.037 -4.134 12.561 1.00 12.42 C ATOM 1653 C SER A 101 1.514 -5.520 12.095 1.00 32.31 C ATOM 1654 O SER A 101 0.901 -6.537 12.414 1.00 41.23 O ATOM 1655 CB SER A 101 0.369 -3.388 11.395 1.00 64.21 C ATOM 1656 OG SER A 101 -0.100 -2.107 11.803 1.00 20.40 O ATOM 0 H SER A 101 2.714 -2.866 12.407 1.00 53.51 H new ATOM 0 HA SER A 101 0.311 -4.285 13.360 1.00 12.42 H new ATOM 0 HB2 SER A 101 1.081 -3.274 10.578 1.00 64.21 H new ATOM 0 HB3 SER A 101 -0.464 -3.978 11.012 1.00 64.21 H new ATOM 0 HG SER A 101 -0.561 -1.674 11.054 1.00 20.40 H new ATOM 1662 N GLY A 102 2.614 -5.555 11.340 1.00 50.22 N ATOM 1663 CA GLY A 102 3.149 -6.824 10.845 1.00 14.13 C ATOM 1664 C GLY A 102 2.439 -7.338 9.588 1.00 4.15 C ATOM 1665 O GLY A 102 2.205 -8.535 9.445 1.00 14.42 O ATOM 0 H GLY A 102 3.146 -4.730 11.061 1.00 50.22 H new ATOM 0 HA2 GLY A 102 4.210 -6.702 10.629 1.00 14.13 H new ATOM 0 HA3 GLY A 102 3.068 -7.575 11.631 1.00 14.13 H new ATOM 1669 N VAL A 103 2.107 -6.426 8.673 1.00 34.12 N ATOM 1670 CA VAL A 103 1.407 -6.788 7.431 1.00 61.54 C ATOM 1671 C VAL A 103 2.392 -7.001 6.264 1.00 61.50 C ATOM 1672 O VAL A 103 3.255 -6.160 6.010 1.00 1.40 O ATOM 1673 CB VAL A 103 0.381 -5.698 7.030 1.00 63.40 C ATOM 1674 CG1 VAL A 103 -0.418 -6.133 5.803 1.00 22.33 C ATOM 1675 CG2 VAL A 103 -0.549 -5.373 8.198 1.00 3.42 C ATOM 0 H VAL A 103 2.310 -5.431 8.765 1.00 34.12 H new ATOM 0 HA VAL A 103 0.885 -7.724 7.629 1.00 61.54 H new ATOM 0 HB VAL A 103 0.930 -4.792 6.773 1.00 63.40 H new ATOM 0 HG11 VAL A 103 -1.132 -5.353 5.539 1.00 22.33 H new ATOM 0 HG12 VAL A 103 0.261 -6.301 4.967 1.00 22.33 H new ATOM 0 HG13 VAL A 103 -0.954 -7.056 6.026 1.00 22.33 H new ATOM 0 HG21 VAL A 103 -1.261 -4.606 7.894 1.00 3.42 H new ATOM 0 HG22 VAL A 103 -1.089 -6.272 8.494 1.00 3.42 H new ATOM 0 HG23 VAL A 103 0.039 -5.009 9.041 1.00 3.42 H new ATOM 1685 N VAL A 104 2.246 -8.124 5.557 1.00 74.30 N ATOM 1686 CA VAL A 104 3.112 -8.459 4.414 1.00 64.44 C ATOM 1687 C VAL A 104 2.364 -8.297 3.076 1.00 61.12 C ATOM 1688 O VAL A 104 1.149 -8.487 3.007 1.00 14.02 O ATOM 1689 CB VAL A 104 3.645 -9.912 4.534 1.00 3.32 C ATOM 1690 CG1 VAL A 104 4.552 -10.272 3.359 1.00 32.24 C ATOM 1691 CG2 VAL A 104 4.377 -10.108 5.862 1.00 33.32 C ATOM 0 H VAL A 104 1.531 -8.825 5.755 1.00 74.30 H new ATOM 0 HA VAL A 104 3.952 -7.765 4.431 1.00 64.44 H new ATOM 0 HB VAL A 104 2.788 -10.585 4.508 1.00 3.32 H new ATOM 0 HG11 VAL A 104 4.908 -11.296 3.474 1.00 32.24 H new ATOM 0 HG12 VAL A 104 3.993 -10.185 2.428 1.00 32.24 H new ATOM 0 HG13 VAL A 104 5.404 -9.592 3.335 1.00 32.24 H new ATOM 0 HG21 VAL A 104 4.743 -11.132 5.928 1.00 33.32 H new ATOM 0 HG22 VAL A 104 5.218 -9.417 5.919 1.00 33.32 H new ATOM 0 HG23 VAL A 104 3.692 -9.914 6.687 1.00 33.32 H new ATOM 1701 N LEU A 105 3.096 -7.951 2.014 1.00 25.33 N ATOM 1702 CA LEU A 105 2.491 -7.722 0.692 1.00 72.50 C ATOM 1703 C LEU A 105 2.553 -8.975 -0.207 1.00 71.45 C ATOM 1704 O LEU A 105 3.632 -9.406 -0.628 1.00 53.32 O ATOM 1705 CB LEU A 105 3.191 -6.550 -0.013 1.00 34.02 C ATOM 1706 CG LEU A 105 3.175 -5.215 0.748 1.00 21.11 C ATOM 1707 CD1 LEU A 105 3.884 -4.127 -0.057 1.00 20.10 C ATOM 1708 CD2 LEU A 105 1.741 -4.794 1.083 1.00 34.41 C ATOM 0 H LEU A 105 4.108 -7.822 2.040 1.00 25.33 H new ATOM 0 HA LEU A 105 1.440 -7.485 0.858 1.00 72.50 H new ATOM 0 HB2 LEU A 105 4.228 -6.829 -0.201 1.00 34.02 H new ATOM 0 HB3 LEU A 105 2.720 -6.400 -0.985 1.00 34.02 H new ATOM 0 HG LEU A 105 3.714 -5.353 1.685 1.00 21.11 H new ATOM 0 HD11 LEU A 105 3.862 -3.190 0.499 1.00 20.10 H new ATOM 0 HD12 LEU A 105 4.919 -4.420 -0.232 1.00 20.10 H new ATOM 0 HD13 LEU A 105 3.378 -3.994 -1.013 1.00 20.10 H new ATOM 0 HD21 LEU A 105 1.756 -3.846 1.621 1.00 34.41 H new ATOM 0 HD22 LEU A 105 1.171 -4.678 0.161 1.00 34.41 H new ATOM 0 HD23 LEU A 105 1.274 -5.557 1.705 1.00 34.41 H new ATOM 1720 N LEU A 106 1.385 -9.554 -0.499 1.00 20.23 N ATOM 1721 CA LEU A 106 1.282 -10.701 -1.418 1.00 53.40 C ATOM 1722 C LEU A 106 0.020 -10.608 -2.294 1.00 61.31 C ATOM 1723 O LEU A 106 -0.853 -9.782 -2.043 1.00 73.22 O ATOM 1724 CB LEU A 106 1.300 -12.039 -0.654 1.00 75.22 C ATOM 1725 CG LEU A 106 0.215 -12.230 0.426 1.00 31.21 C ATOM 1726 CD1 LEU A 106 0.047 -13.711 0.766 1.00 2.41 C ATOM 1727 CD2 LEU A 106 0.559 -11.437 1.686 1.00 21.30 C ATOM 0 H LEU A 106 0.492 -9.249 -0.113 1.00 20.23 H new ATOM 0 HA LEU A 106 2.155 -10.666 -2.069 1.00 53.40 H new ATOM 0 HB2 LEU A 106 1.205 -12.847 -1.379 1.00 75.22 H new ATOM 0 HB3 LEU A 106 2.276 -12.148 -0.180 1.00 75.22 H new ATOM 0 HG LEU A 106 -0.727 -11.855 0.027 1.00 31.21 H new ATOM 0 HD11 LEU A 106 -0.723 -13.824 1.529 1.00 2.41 H new ATOM 0 HD12 LEU A 106 -0.247 -14.259 -0.129 1.00 2.41 H new ATOM 0 HD13 LEU A 106 0.991 -14.108 1.141 1.00 2.41 H new ATOM 0 HD21 LEU A 106 -0.220 -11.586 2.434 1.00 21.30 H new ATOM 0 HD22 LEU A 106 1.514 -11.781 2.083 1.00 21.30 H new ATOM 0 HD23 LEU A 106 0.628 -10.377 1.441 1.00 21.30 H new ATOM 1739 N ASN A 107 -0.049 -11.467 -3.323 1.00 33.45 N ATOM 1740 CA ASN A 107 -1.183 -11.537 -4.279 1.00 44.33 C ATOM 1741 C ASN A 107 -1.902 -10.183 -4.520 1.00 71.41 C ATOM 1742 O ASN A 107 -2.978 -9.926 -3.978 1.00 71.52 O ATOM 1743 CB ASN A 107 -2.180 -12.650 -3.882 1.00 41.20 C ATOM 1744 CG ASN A 107 -2.622 -12.641 -2.418 1.00 62.33 C ATOM 1745 OD1 ASN A 107 -2.845 -13.692 -1.829 1.00 51.24 O ATOM 1746 ND2 ASN A 107 -2.795 -11.482 -1.823 1.00 3.32 N ATOM 0 H ASN A 107 0.687 -12.144 -3.523 1.00 33.45 H new ATOM 0 HA ASN A 107 -0.739 -11.795 -5.240 1.00 44.33 H new ATOM 0 HB2 ASN A 107 -3.065 -12.563 -4.512 1.00 41.20 H new ATOM 0 HB3 ASN A 107 -1.726 -13.616 -4.101 1.00 41.20 H new ATOM 0 HD21 ASN A 107 -3.119 -11.448 -0.857 1.00 3.32 H new ATOM 0 HD22 ASN A 107 -2.605 -10.616 -2.328 1.00 3.32 H new ATOM 1753 N PRO A 108 -1.308 -9.305 -5.357 1.00 71.43 N ATOM 1754 CA PRO A 108 -1.861 -7.963 -5.639 1.00 33.44 C ATOM 1755 C PRO A 108 -3.189 -7.998 -6.418 1.00 72.51 C ATOM 1756 O PRO A 108 -3.401 -8.857 -7.275 1.00 54.41 O ATOM 1757 CB PRO A 108 -0.766 -7.285 -6.490 1.00 74.43 C ATOM 1758 CG PRO A 108 0.449 -8.141 -6.331 1.00 72.33 C ATOM 1759 CD PRO A 108 -0.056 -9.536 -6.092 1.00 1.22 C ATOM 0 HA PRO A 108 -2.097 -7.438 -4.713 1.00 33.44 H new ATOM 0 HB2 PRO A 108 -1.066 -7.219 -7.536 1.00 74.43 H new ATOM 0 HB3 PRO A 108 -0.577 -6.267 -6.148 1.00 74.43 H new ATOM 0 HG2 PRO A 108 1.075 -8.100 -7.223 1.00 72.33 H new ATOM 0 HG3 PRO A 108 1.061 -7.799 -5.496 1.00 72.33 H new ATOM 0 HD2 PRO A 108 -0.228 -10.070 -7.027 1.00 1.22 H new ATOM 0 HD3 PRO A 108 0.651 -10.129 -5.511 1.00 1.22 H new ATOM 1767 N ILE A 109 -4.081 -7.054 -6.115 1.00 24.11 N ATOM 1768 CA ILE A 109 -5.366 -6.948 -6.817 1.00 73.42 C ATOM 1769 C ILE A 109 -5.258 -5.983 -8.016 1.00 63.23 C ATOM 1770 O ILE A 109 -4.901 -4.817 -7.841 1.00 21.41 O ATOM 1771 CB ILE A 109 -6.488 -6.457 -5.864 1.00 53.53 C ATOM 1772 CG1 ILE A 109 -6.585 -7.365 -4.625 1.00 23.21 C ATOM 1773 CG2 ILE A 109 -7.830 -6.400 -6.592 1.00 60.40 C ATOM 1774 CD1 ILE A 109 -6.921 -8.813 -4.935 1.00 21.43 C ATOM 0 H ILE A 109 -3.940 -6.351 -5.389 1.00 24.11 H new ATOM 0 HA ILE A 109 -5.621 -7.944 -7.178 1.00 73.42 H new ATOM 0 HB ILE A 109 -6.235 -5.450 -5.533 1.00 53.53 H new ATOM 0 HG12 ILE A 109 -5.636 -7.331 -4.089 1.00 23.21 H new ATOM 0 HG13 ILE A 109 -7.344 -6.964 -3.954 1.00 23.21 H new ATOM 0 HG21 ILE A 109 -8.602 -6.053 -5.905 1.00 60.40 H new ATOM 0 HG22 ILE A 109 -7.758 -5.712 -7.434 1.00 60.40 H new ATOM 0 HG23 ILE A 109 -8.089 -7.394 -6.957 1.00 60.40 H new ATOM 0 HD11 ILE A 109 -6.970 -9.382 -4.007 1.00 21.43 H new ATOM 0 HD12 ILE A 109 -7.885 -8.862 -5.442 1.00 21.43 H new ATOM 0 HD13 ILE A 109 -6.150 -9.235 -5.579 1.00 21.43 H new ATOM 1786 N PRO A 110 -5.589 -6.450 -9.241 1.00 54.15 N ATOM 1787 CA PRO A 110 -5.444 -5.644 -10.475 1.00 15.24 C ATOM 1788 C PRO A 110 -6.277 -4.347 -10.462 1.00 71.44 C ATOM 1789 O PRO A 110 -7.486 -4.368 -10.221 1.00 32.33 O ATOM 1790 CB PRO A 110 -5.936 -6.589 -11.585 1.00 14.34 C ATOM 1791 CG PRO A 110 -6.777 -7.600 -10.879 1.00 70.14 C ATOM 1792 CD PRO A 110 -6.139 -7.788 -9.531 1.00 12.34 C ATOM 0 HA PRO A 110 -4.416 -5.304 -10.604 1.00 15.24 H new ATOM 0 HB2 PRO A 110 -6.513 -6.050 -12.337 1.00 14.34 H new ATOM 0 HB3 PRO A 110 -5.101 -7.061 -12.102 1.00 14.34 H new ATOM 0 HG2 PRO A 110 -7.806 -7.254 -10.781 1.00 70.14 H new ATOM 0 HG3 PRO A 110 -6.808 -8.539 -11.432 1.00 70.14 H new ATOM 0 HD2 PRO A 110 -6.865 -8.099 -8.780 1.00 12.34 H new ATOM 0 HD3 PRO A 110 -5.359 -8.549 -9.555 1.00 12.34 H new