USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 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 -134:sc= 2.1 USER MOD Set 1.2: A 101 SER OG : rot -89:sc= -0.847! USER MOD Set 2.1: A 54 SER OG : rot -69:sc= 1.26 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.805 K(o=2.1,f=-4.2!) USER MOD Single : A 17 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.74) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.39 K(o=0.39,f=-4.4!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 136:sc= -1.34 (180deg=-3.82!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.07 K(o=-1.1,f=-7.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -107:sc= 0.863 USER MOD Single : A 56 TYR OH : rot -82:sc= 0.0565 USER MOD Single : A 57 SER OG : rot -77:sc= 0.366 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.00079) USER MOD Single : A 67 GLN : amide:sc= -0.692 K(o=-0.69,f=-1.9) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 71 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.3!) 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= -0.011 USER MOD Single : A 82 ASN : amide:sc= -0.419 K(o=-0.42,f=-5.7!) USER MOD Single : A 85 GLN : amide:sc= -0.755 X(o=-0.75,f=-0.28) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.996 K(o=1,f=-3.4!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 92 THR OG1 : rot -73:sc= 0.216 USER MOD Single : A 93 THR OG1 : rot -80:sc= 1.18 USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= -0.0407 (180deg=-0.215) USER MOD Single : A 95 GLN : amide:sc= -0.0627 X(o=-0.063,f=-0.21) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -0.0132 (180deg=-0.207) USER MOD Single : A 100 LYS NZ :NH3+ -153:sc= -0.101 (180deg=-0.582) USER MOD Single : A 107 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 4.711 3.981 -14.771 1.00 11.23 N ATOM 204 CA PRO A 13 4.524 4.992 -13.715 1.00 0.34 C ATOM 205 C PRO A 13 3.478 4.570 -12.665 1.00 41.34 C ATOM 206 O PRO A 13 2.713 3.624 -12.876 1.00 50.02 O ATOM 207 CB PRO A 13 4.051 6.227 -14.490 1.00 43.24 C ATOM 208 CG PRO A 13 3.413 5.675 -15.719 1.00 73.41 C ATOM 209 CD PRO A 13 4.214 4.451 -16.080 1.00 42.34 C ATOM 0 HA PRO A 13 5.436 5.155 -13.142 1.00 0.34 H new ATOM 0 HB2 PRO A 13 3.344 6.815 -13.906 1.00 43.24 H new ATOM 0 HB3 PRO A 13 4.885 6.884 -14.737 1.00 43.24 H new ATOM 0 HG2 PRO A 13 2.369 5.420 -15.537 1.00 73.41 H new ATOM 0 HG3 PRO A 13 3.427 6.405 -16.529 1.00 73.41 H new ATOM 0 HD2 PRO A 13 3.600 3.697 -16.573 1.00 42.34 H new ATOM 0 HD3 PRO A 13 5.032 4.690 -16.760 1.00 42.34 H new ATOM 217 N LEU A 14 3.437 5.296 -11.545 1.00 3.15 N ATOM 218 CA LEU A 14 2.546 4.965 -10.421 1.00 14.23 C ATOM 219 C LEU A 14 1.082 4.780 -10.865 1.00 33.54 C ATOM 220 O LEU A 14 0.435 3.804 -10.495 1.00 45.44 O ATOM 221 CB LEU A 14 2.634 6.063 -9.350 1.00 45.12 C ATOM 222 CG LEU A 14 1.758 5.845 -8.103 1.00 45.32 C ATOM 223 CD1 LEU A 14 2.149 4.556 -7.383 1.00 12.23 C ATOM 224 CD2 LEU A 14 1.860 7.042 -7.161 1.00 43.31 C ATOM 0 H LEU A 14 4.013 6.123 -11.388 1.00 3.15 H new ATOM 0 HA LEU A 14 2.880 4.013 -10.009 1.00 14.23 H new ATOM 0 HB2 LEU A 14 3.673 6.153 -9.032 1.00 45.12 H new ATOM 0 HB3 LEU A 14 2.357 7.014 -9.806 1.00 45.12 H new ATOM 0 HG LEU A 14 0.721 5.750 -8.427 1.00 45.32 H new ATOM 0 HD11 LEU A 14 1.516 4.423 -6.505 1.00 12.23 H new ATOM 0 HD12 LEU A 14 2.018 3.709 -8.056 1.00 12.23 H new ATOM 0 HD13 LEU A 14 3.192 4.615 -7.073 1.00 12.23 H new ATOM 0 HD21 LEU A 14 1.234 6.870 -6.285 1.00 43.31 H new ATOM 0 HD22 LEU A 14 2.896 7.171 -6.847 1.00 43.31 H new ATOM 0 HD23 LEU A 14 1.523 7.941 -7.677 1.00 43.31 H new ATOM 236 N ALA A 15 0.574 5.716 -11.665 1.00 14.22 N ATOM 237 CA ALA A 15 -0.818 5.668 -12.138 1.00 12.23 C ATOM 238 C ALA A 15 -1.131 4.374 -12.914 1.00 61.45 C ATOM 239 O ALA A 15 -2.229 3.819 -12.802 1.00 3.32 O ATOM 240 CB ALA A 15 -1.120 6.887 -13.003 1.00 54.22 C ATOM 0 H ALA A 15 1.103 6.520 -12.003 1.00 14.22 H new ATOM 0 HA ALA A 15 -1.459 5.677 -11.257 1.00 12.23 H new ATOM 0 HB1 ALA A 15 -2.153 6.841 -13.348 1.00 54.22 H new ATOM 0 HB2 ALA A 15 -0.973 7.794 -12.417 1.00 54.22 H new ATOM 0 HB3 ALA A 15 -0.450 6.898 -13.863 1.00 54.22 H new ATOM 246 N GLU A 16 -0.164 3.889 -13.688 1.00 73.43 N ATOM 247 CA GLU A 16 -0.359 2.686 -14.505 1.00 63.35 C ATOM 248 C GLU A 16 -0.302 1.411 -13.657 1.00 75.25 C ATOM 249 O GLU A 16 -1.048 0.462 -13.910 1.00 53.44 O ATOM 250 CB GLU A 16 0.689 2.620 -15.621 1.00 24.34 C ATOM 251 CG GLU A 16 0.555 3.726 -16.660 1.00 73.02 C ATOM 252 CD GLU A 16 -0.815 3.747 -17.320 1.00 2.43 C ATOM 253 OE1 GLU A 16 -1.175 2.758 -17.988 1.00 2.22 O ATOM 254 OE2 GLU A 16 -1.534 4.757 -17.183 1.00 62.24 O ATOM 0 H GLU A 16 0.763 4.307 -13.769 1.00 73.43 H new ATOM 0 HA GLU A 16 -1.352 2.750 -14.949 1.00 63.35 H new ATOM 0 HB2 GLU A 16 1.683 2.671 -15.176 1.00 24.34 H new ATOM 0 HB3 GLU A 16 0.613 1.654 -16.121 1.00 24.34 H new ATOM 0 HG2 GLU A 16 0.740 4.690 -16.185 1.00 73.02 H new ATOM 0 HG3 GLU A 16 1.321 3.595 -17.425 1.00 73.02 H new ATOM 261 N GLN A 17 0.570 1.406 -12.648 1.00 41.30 N ATOM 262 CA GLN A 17 0.742 0.246 -11.762 1.00 73.44 C ATOM 263 C GLN A 17 -0.605 -0.362 -11.341 1.00 3.15 C ATOM 264 O GLN A 17 -1.470 0.322 -10.786 1.00 22.01 O ATOM 265 CB GLN A 17 1.549 0.643 -10.519 1.00 23.14 C ATOM 266 CG GLN A 17 2.994 1.024 -10.829 1.00 33.14 C ATOM 267 CD GLN A 17 3.802 -0.133 -11.401 1.00 41.32 C ATOM 268 OE1 GLN A 17 3.548 -1.298 -11.109 1.00 74.12 O ATOM 269 NE2 GLN A 17 4.786 0.179 -12.215 1.00 33.22 N ATOM 0 H GLN A 17 1.173 2.196 -12.420 1.00 41.30 H new ATOM 0 HA GLN A 17 1.287 -0.514 -12.323 1.00 73.44 H new ATOM 0 HB2 GLN A 17 1.057 1.483 -10.029 1.00 23.14 H new ATOM 0 HB3 GLN A 17 1.544 -0.186 -9.812 1.00 23.14 H new ATOM 0 HG2 GLN A 17 3.002 1.852 -11.538 1.00 33.14 H new ATOM 0 HG3 GLN A 17 3.474 1.380 -9.918 1.00 33.14 H new ATOM 0 HE21 GLN A 17 4.972 1.157 -12.439 1.00 33.22 H new ATOM 0 HE22 GLN A 17 5.363 -0.557 -12.623 1.00 33.22 H new ATOM 278 N ASP A 18 -0.772 -1.650 -11.614 1.00 10.00 N ATOM 279 CA ASP A 18 -2.045 -2.339 -11.401 1.00 43.03 C ATOM 280 C ASP A 18 -2.474 -2.343 -9.922 1.00 54.14 C ATOM 281 O ASP A 18 -3.667 -2.301 -9.615 1.00 72.11 O ATOM 282 CB ASP A 18 -1.946 -3.765 -11.950 1.00 10.34 C ATOM 283 CG ASP A 18 -0.804 -4.547 -11.328 1.00 45.44 C ATOM 284 OD1 ASP A 18 0.368 -4.251 -11.648 1.00 20.31 O ATOM 285 OD2 ASP A 18 -1.069 -5.460 -10.522 1.00 54.12 O ATOM 0 H ASP A 18 -0.034 -2.247 -11.988 1.00 10.00 H new ATOM 0 HA ASP A 18 -2.819 -1.793 -11.939 1.00 43.03 H new ATOM 0 HB2 ASP A 18 -2.884 -4.288 -11.765 1.00 10.34 H new ATOM 0 HB3 ASP A 18 -1.810 -3.727 -13.031 1.00 10.34 H new ATOM 290 N TRP A 19 -1.502 -2.384 -9.012 1.00 54.42 N ATOM 291 CA TRP A 19 -1.785 -2.315 -7.571 1.00 53.12 C ATOM 292 C TRP A 19 -2.249 -0.906 -7.140 1.00 4.34 C ATOM 293 O TRP A 19 -2.847 -0.737 -6.075 1.00 44.11 O ATOM 294 CB TRP A 19 -0.561 -2.769 -6.756 1.00 12.13 C ATOM 295 CG TRP A 19 0.746 -2.203 -7.237 1.00 52.13 C ATOM 296 CD1 TRP A 19 1.596 -2.767 -8.145 1.00 5.21 C ATOM 297 CD2 TRP A 19 1.357 -0.974 -6.828 1.00 52.24 C ATOM 298 NE1 TRP A 19 2.691 -1.960 -8.332 1.00 51.23 N ATOM 299 CE2 TRP A 19 2.569 -0.855 -7.534 1.00 54.41 C ATOM 300 CE3 TRP A 19 0.996 0.043 -5.941 1.00 13.22 C ATOM 301 CZ2 TRP A 19 3.420 0.234 -7.376 1.00 30.45 C ATOM 302 CZ3 TRP A 19 1.843 1.124 -5.785 1.00 55.02 C ATOM 303 CH2 TRP A 19 3.042 1.211 -6.499 1.00 51.42 C ATOM 0 H TRP A 19 -0.512 -2.464 -9.242 1.00 54.42 H new ATOM 0 HA TRP A 19 -2.609 -2.998 -7.365 1.00 53.12 H new ATOM 0 HB2 TRP A 19 -0.706 -2.483 -5.714 1.00 12.13 H new ATOM 0 HB3 TRP A 19 -0.504 -3.857 -6.783 1.00 12.13 H new ATOM 0 HD1 TRP A 19 1.431 -3.711 -8.644 1.00 5.21 H new ATOM 0 HE1 TRP A 19 3.469 -2.153 -8.963 1.00 51.23 H new ATOM 0 HE3 TRP A 19 0.071 -0.014 -5.387 1.00 13.22 H new ATOM 0 HZ2 TRP A 19 4.346 0.305 -7.927 1.00 30.45 H new ATOM 0 HZ3 TRP A 19 1.574 1.915 -5.100 1.00 55.02 H new ATOM 0 HH2 TRP A 19 3.683 2.068 -6.354 1.00 51.42 H new ATOM 314 N TYR A 20 -1.979 0.103 -7.968 1.00 44.05 N ATOM 315 CA TYR A 20 -2.517 1.453 -7.746 1.00 15.02 C ATOM 316 C TYR A 20 -3.898 1.586 -8.411 1.00 52.34 C ATOM 317 O TYR A 20 -4.027 1.460 -9.631 1.00 2.41 O ATOM 318 CB TYR A 20 -1.557 2.523 -8.291 1.00 40.24 C ATOM 319 CG TYR A 20 -2.086 3.942 -8.163 1.00 75.41 C ATOM 320 CD1 TYR A 20 -1.974 4.647 -6.966 1.00 71.01 C ATOM 321 CD2 TYR A 20 -2.716 4.574 -9.233 1.00 52.43 C ATOM 322 CE1 TYR A 20 -2.467 5.933 -6.845 1.00 72.44 C ATOM 323 CE2 TYR A 20 -3.214 5.857 -9.116 1.00 3.14 C ATOM 324 CZ TYR A 20 -3.090 6.532 -7.923 1.00 43.31 C ATOM 325 OH TYR A 20 -3.596 7.808 -7.805 1.00 0.50 O ATOM 0 H TYR A 20 -1.393 0.016 -8.798 1.00 44.05 H new ATOM 0 HA TYR A 20 -2.623 1.609 -6.672 1.00 15.02 H new ATOM 0 HB2 TYR A 20 -0.607 2.450 -7.761 1.00 40.24 H new ATOM 0 HB3 TYR A 20 -1.353 2.314 -9.341 1.00 40.24 H new ATOM 0 HD1 TYR A 20 -1.494 4.181 -6.118 1.00 71.01 H new ATOM 0 HD2 TYR A 20 -2.817 4.050 -10.172 1.00 52.43 H new ATOM 0 HE1 TYR A 20 -2.366 6.467 -5.912 1.00 72.44 H new ATOM 0 HE2 TYR A 20 -3.699 6.329 -9.958 1.00 3.14 H new ATOM 0 HH TYR A 20 -4.000 8.080 -8.655 1.00 0.50 H new ATOM 335 N HIS A 21 -4.931 1.847 -7.609 1.00 64.34 N ATOM 336 CA HIS A 21 -6.312 1.858 -8.112 1.00 40.43 C ATOM 337 C HIS A 21 -6.906 3.273 -8.236 1.00 21.34 C ATOM 338 O HIS A 21 -7.768 3.655 -7.451 1.00 72.02 O ATOM 339 CB HIS A 21 -7.210 0.983 -7.226 1.00 63.41 C ATOM 340 CG HIS A 21 -6.948 -0.489 -7.368 1.00 65.11 C ATOM 341 ND1 HIS A 21 -7.934 -1.406 -7.662 1.00 34.31 N ATOM 342 CD2 HIS A 21 -5.802 -1.203 -7.259 1.00 61.22 C ATOM 343 CE1 HIS A 21 -7.408 -2.611 -7.724 1.00 20.41 C ATOM 344 NE2 HIS A 21 -6.119 -2.516 -7.487 1.00 74.40 N ATOM 0 H HIS A 21 -4.843 2.053 -6.614 1.00 64.34 H new ATOM 0 HA HIS A 21 -6.275 1.447 -9.121 1.00 40.43 H new ATOM 0 HB2 HIS A 21 -7.067 1.270 -6.184 1.00 63.41 H new ATOM 0 HB3 HIS A 21 -8.253 1.183 -7.472 1.00 63.41 H new ATOM 0 HD2 HIS A 21 -4.821 -0.810 -7.034 1.00 61.22 H new ATOM 0 HE1 HIS A 21 -7.945 -3.524 -7.934 1.00 20.41 H new ATOM 0 HE2 HIS A 21 -5.460 -3.295 -7.475 1.00 74.40 H new ATOM 353 N GLY A 22 -6.369 4.056 -9.175 1.00 22.04 N ATOM 354 CA GLY A 22 -7.036 5.263 -9.695 1.00 73.52 C ATOM 355 C GLY A 22 -7.809 6.107 -8.679 1.00 3.31 C ATOM 356 O GLY A 22 -8.904 6.597 -8.982 1.00 31.52 O ATOM 0 H GLY A 22 -5.459 3.875 -9.599 1.00 22.04 H new ATOM 0 HA2 GLY A 22 -6.281 5.896 -10.161 1.00 73.52 H new ATOM 0 HA3 GLY A 22 -7.726 4.959 -10.482 1.00 73.52 H new ATOM 360 N ALA A 23 -7.250 6.283 -7.485 1.00 61.12 N ATOM 361 CA ALA A 23 -7.837 7.174 -6.472 1.00 31.22 C ATOM 362 C ALA A 23 -9.262 6.760 -6.051 1.00 2.22 C ATOM 363 O ALA A 23 -10.092 7.611 -5.723 1.00 75.11 O ATOM 364 CB ALA A 23 -7.824 8.616 -6.984 1.00 24.43 C ATOM 0 H ALA A 23 -6.390 5.822 -7.189 1.00 61.12 H new ATOM 0 HA ALA A 23 -7.221 7.092 -5.577 1.00 31.22 H new ATOM 0 HB1 ALA A 23 -8.259 9.273 -6.231 1.00 24.43 H new ATOM 0 HB2 ALA A 23 -6.797 8.922 -7.183 1.00 24.43 H new ATOM 0 HB3 ALA A 23 -8.406 8.681 -7.903 1.00 24.43 H new ATOM 370 N ILE A 24 -9.537 5.456 -6.035 1.00 24.02 N ATOM 371 CA ILE A 24 -10.870 4.958 -5.662 1.00 73.35 C ATOM 372 C ILE A 24 -11.214 5.251 -4.186 1.00 5.41 C ATOM 373 O ILE A 24 -10.329 5.308 -3.328 1.00 54.12 O ATOM 374 CB ILE A 24 -11.010 3.435 -5.917 1.00 24.20 C ATOM 375 CG1 ILE A 24 -10.071 2.629 -5.003 1.00 22.13 C ATOM 376 CG2 ILE A 24 -10.735 3.121 -7.384 1.00 73.53 C ATOM 377 CD1 ILE A 24 -10.241 1.130 -5.131 1.00 13.03 C ATOM 0 H ILE A 24 -8.864 4.727 -6.273 1.00 24.02 H new ATOM 0 HA ILE A 24 -11.572 5.495 -6.299 1.00 73.35 H new ATOM 0 HB ILE A 24 -12.033 3.142 -5.681 1.00 24.20 H new ATOM 0 HG12 ILE A 24 -9.039 2.890 -5.235 1.00 22.13 H new ATOM 0 HG13 ILE A 24 -10.248 2.919 -3.967 1.00 22.13 H new ATOM 0 HG21 ILE A 24 -10.836 2.049 -7.552 1.00 73.53 H new ATOM 0 HG22 ILE A 24 -11.449 3.655 -8.011 1.00 73.53 H new ATOM 0 HG23 ILE A 24 -9.723 3.434 -7.640 1.00 73.53 H new ATOM 0 HD11 ILE A 24 -9.547 0.626 -4.458 1.00 13.03 H new ATOM 0 HD12 ILE A 24 -11.263 0.856 -4.870 1.00 13.03 H new ATOM 0 HD13 ILE A 24 -10.035 0.827 -6.158 1.00 13.03 H new ATOM 389 N PRO A 25 -12.517 5.448 -3.882 1.00 71.13 N ATOM 390 CA PRO A 25 -12.996 5.701 -2.505 1.00 41.33 C ATOM 391 C PRO A 25 -12.561 4.635 -1.477 1.00 65.13 C ATOM 392 O PRO A 25 -12.248 3.492 -1.824 1.00 50.00 O ATOM 393 CB PRO A 25 -14.525 5.690 -2.657 1.00 72.11 C ATOM 394 CG PRO A 25 -14.769 6.058 -4.081 1.00 50.32 C ATOM 395 CD PRO A 25 -13.623 5.470 -4.861 1.00 45.12 C ATOM 0 HA PRO A 25 -12.579 6.630 -2.116 1.00 41.33 H new ATOM 0 HB2 PRO A 25 -14.938 4.708 -2.426 1.00 72.11 H new ATOM 0 HB3 PRO A 25 -14.995 6.402 -1.978 1.00 72.11 H new ATOM 0 HG2 PRO A 25 -15.723 5.661 -4.429 1.00 50.32 H new ATOM 0 HG3 PRO A 25 -14.810 7.140 -4.203 1.00 50.32 H new ATOM 0 HD2 PRO A 25 -13.857 4.470 -5.226 1.00 45.12 H new ATOM 0 HD3 PRO A 25 -13.376 6.077 -5.732 1.00 45.12 H new ATOM 403 N ARG A 26 -12.572 5.022 -0.199 1.00 44.31 N ATOM 404 CA ARG A 26 -12.192 4.126 0.900 1.00 11.01 C ATOM 405 C ARG A 26 -13.031 2.833 0.911 1.00 74.32 C ATOM 406 O ARG A 26 -12.494 1.741 1.122 1.00 73.23 O ATOM 407 CB ARG A 26 -12.321 4.866 2.241 1.00 41.33 C ATOM 408 CG ARG A 26 -12.126 3.982 3.473 1.00 74.20 C ATOM 409 CD ARG A 26 -12.108 4.798 4.764 1.00 73.35 C ATOM 410 NE ARG A 26 -13.131 5.844 4.779 1.00 51.33 N ATOM 411 CZ ARG A 26 -14.279 5.758 5.400 1.00 22.20 C ATOM 412 NH1 ARG A 26 -14.622 4.678 6.026 1.00 2.03 N ATOM 413 NH2 ARG A 26 -15.092 6.758 5.385 1.00 42.11 N ATOM 0 H ARG A 26 -12.842 5.958 0.103 1.00 44.31 H new ATOM 0 HA ARG A 26 -11.154 3.830 0.747 1.00 11.01 H new ATOM 0 HB2 ARG A 26 -11.589 5.673 2.268 1.00 41.33 H new ATOM 0 HB3 ARG A 26 -13.307 5.328 2.293 1.00 41.33 H new ATOM 0 HG2 ARG A 26 -12.927 3.245 3.521 1.00 74.20 H new ATOM 0 HG3 ARG A 26 -11.191 3.430 3.379 1.00 74.20 H new ATOM 0 HD2 ARG A 26 -12.261 4.132 5.613 1.00 73.35 H new ATOM 0 HD3 ARG A 26 -11.125 5.253 4.889 1.00 73.35 H new ATOM 0 HE ARG A 26 -12.934 6.704 4.267 1.00 51.33 H new ATOM 0 HH11 ARG A 26 -13.993 3.875 6.041 1.00 2.03 H new ATOM 0 HH12 ARG A 26 -15.521 4.630 6.505 1.00 2.03 H new ATOM 0 HH21 ARG A 26 -14.839 7.613 4.890 1.00 42.11 H new ATOM 0 HH22 ARG A 26 -15.988 6.694 5.868 1.00 42.11 H new ATOM 427 N ILE A 27 -14.339 2.966 0.683 1.00 32.42 N ATOM 428 CA ILE A 27 -15.235 1.805 0.609 1.00 4.33 C ATOM 429 C ILE A 27 -14.791 0.836 -0.497 1.00 51.22 C ATOM 430 O ILE A 27 -14.553 -0.344 -0.249 1.00 64.24 O ATOM 431 CB ILE A 27 -16.703 2.237 0.353 1.00 73.21 C ATOM 432 CG1 ILE A 27 -17.213 3.126 1.501 1.00 3.53 C ATOM 433 CG2 ILE A 27 -17.606 1.016 0.180 1.00 73.41 C ATOM 434 CD1 ILE A 27 -18.625 3.638 1.298 1.00 51.14 C ATOM 0 H ILE A 27 -14.803 3.864 0.546 1.00 32.42 H new ATOM 0 HA ILE A 27 -15.181 1.299 1.573 1.00 4.33 H new ATOM 0 HB ILE A 27 -16.731 2.815 -0.570 1.00 73.21 H new ATOM 0 HG12 ILE A 27 -17.172 2.560 2.432 1.00 3.53 H new ATOM 0 HG13 ILE A 27 -16.541 3.977 1.615 1.00 3.53 H new ATOM 0 HG21 ILE A 27 -18.630 1.343 0.002 1.00 73.41 H new ATOM 0 HG22 ILE A 27 -17.261 0.425 -0.669 1.00 73.41 H new ATOM 0 HG23 ILE A 27 -17.572 0.407 1.083 1.00 73.41 H new ATOM 0 HD11 ILE A 27 -18.913 4.256 2.148 1.00 51.14 H new ATOM 0 HD12 ILE A 27 -18.669 4.232 0.385 1.00 51.14 H new ATOM 0 HD13 ILE A 27 -19.310 2.794 1.215 1.00 51.14 H new ATOM 446 N GLU A 28 -14.662 1.356 -1.715 1.00 44.41 N ATOM 447 CA GLU A 28 -14.214 0.562 -2.869 1.00 33.11 C ATOM 448 C GLU A 28 -12.911 -0.196 -2.562 1.00 43.32 C ATOM 449 O GLU A 28 -12.741 -1.354 -2.949 1.00 42.42 O ATOM 450 CB GLU A 28 -14.002 1.491 -4.069 1.00 35.42 C ATOM 451 CG GLU A 28 -15.256 2.253 -4.478 1.00 71.42 C ATOM 452 CD GLU A 28 -16.264 1.392 -5.215 1.00 1.42 C ATOM 453 OE1 GLU A 28 -16.090 1.185 -6.437 1.00 13.43 O ATOM 454 OE2 GLU A 28 -17.242 0.937 -4.590 1.00 71.54 O ATOM 0 H GLU A 28 -14.862 2.332 -1.935 1.00 44.41 H new ATOM 0 HA GLU A 28 -14.983 -0.176 -3.096 1.00 33.11 H new ATOM 0 HB2 GLU A 28 -13.214 2.206 -3.830 1.00 35.42 H new ATOM 0 HB3 GLU A 28 -13.652 0.902 -4.917 1.00 35.42 H new ATOM 0 HG2 GLU A 28 -15.726 2.670 -3.588 1.00 71.42 H new ATOM 0 HG3 GLU A 28 -14.972 3.093 -5.112 1.00 71.42 H new ATOM 461 N ALA A 29 -11.997 0.470 -1.856 1.00 63.44 N ATOM 462 CA ALA A 29 -10.708 -0.125 -1.488 1.00 74.42 C ATOM 463 C ALA A 29 -10.866 -1.336 -0.555 1.00 1.21 C ATOM 464 O ALA A 29 -10.155 -2.330 -0.694 1.00 63.01 O ATOM 465 CB ALA A 29 -9.815 0.929 -0.843 1.00 33.44 C ATOM 0 H ALA A 29 -12.125 1.426 -1.525 1.00 63.44 H new ATOM 0 HA ALA A 29 -10.242 -0.488 -2.404 1.00 74.42 H new ATOM 0 HB1 ALA A 29 -8.859 0.480 -0.572 1.00 33.44 H new ATOM 0 HB2 ALA A 29 -9.647 1.744 -1.547 1.00 33.44 H new ATOM 0 HB3 ALA A 29 -10.300 1.318 0.052 1.00 33.44 H new ATOM 471 N GLN A 30 -11.792 -1.255 0.402 1.00 12.02 N ATOM 472 CA GLN A 30 -11.998 -2.351 1.362 1.00 14.11 C ATOM 473 C GLN A 30 -12.890 -3.460 0.788 1.00 45.14 C ATOM 474 O GLN A 30 -12.751 -4.624 1.159 1.00 1.20 O ATOM 475 CB GLN A 30 -12.586 -1.834 2.684 1.00 41.24 C ATOM 476 CG GLN A 30 -13.927 -1.122 2.549 1.00 64.35 C ATOM 477 CD GLN A 30 -14.572 -0.835 3.894 1.00 64.12 C ATOM 478 OE1 GLN A 30 -14.320 0.197 4.509 1.00 34.01 O ATOM 479 NE2 GLN A 30 -15.408 -1.740 4.361 1.00 5.23 N ATOM 0 H GLN A 30 -12.407 -0.453 0.536 1.00 12.02 H new ATOM 0 HA GLN A 30 -11.015 -2.779 1.560 1.00 14.11 H new ATOM 0 HB2 GLN A 30 -12.704 -2.675 3.367 1.00 41.24 H new ATOM 0 HB3 GLN A 30 -11.871 -1.150 3.141 1.00 41.24 H new ATOM 0 HG2 GLN A 30 -13.784 -0.185 2.011 1.00 64.35 H new ATOM 0 HG3 GLN A 30 -14.601 -1.734 1.950 1.00 64.35 H new ATOM 0 HE21 GLN A 30 -15.595 -2.587 3.824 1.00 5.23 H new ATOM 0 HE22 GLN A 30 -15.868 -1.594 5.259 1.00 5.23 H new ATOM 488 N GLU A 31 -13.795 -3.099 -0.119 1.00 2.31 N ATOM 489 CA GLU A 31 -14.735 -4.061 -0.710 1.00 45.10 C ATOM 490 C GLU A 31 -14.029 -5.125 -1.571 1.00 11.11 C ATOM 491 O GLU A 31 -14.509 -6.254 -1.691 1.00 24.05 O ATOM 492 CB GLU A 31 -15.787 -3.323 -1.547 1.00 34.33 C ATOM 493 CG GLU A 31 -16.761 -2.497 -0.714 1.00 54.53 C ATOM 494 CD GLU A 31 -17.626 -3.361 0.199 1.00 74.22 C ATOM 495 OE1 GLU A 31 -18.591 -3.975 -0.295 1.00 4.45 O ATOM 496 OE2 GLU A 31 -17.340 -3.435 1.415 1.00 40.40 O ATOM 0 H GLU A 31 -13.901 -2.145 -0.464 1.00 2.31 H new ATOM 0 HA GLU A 31 -15.219 -4.584 0.115 1.00 45.10 H new ATOM 0 HB2 GLU A 31 -15.281 -2.667 -2.255 1.00 34.33 H new ATOM 0 HB3 GLU A 31 -16.349 -4.051 -2.132 1.00 34.33 H new ATOM 0 HG2 GLU A 31 -16.202 -1.782 -0.110 1.00 54.53 H new ATOM 0 HG3 GLU A 31 -17.404 -1.919 -1.379 1.00 54.53 H new ATOM 503 N LEU A 32 -12.898 -4.762 -2.172 1.00 42.34 N ATOM 504 CA LEU A 32 -12.135 -5.703 -3.000 1.00 0.22 C ATOM 505 C LEU A 32 -11.253 -6.627 -2.141 1.00 2.13 C ATOM 506 O LEU A 32 -10.924 -7.740 -2.551 1.00 54.34 O ATOM 507 CB LEU A 32 -11.288 -4.941 -4.039 1.00 2.10 C ATOM 508 CG LEU A 32 -10.146 -4.062 -3.489 1.00 21.44 C ATOM 509 CD1 LEU A 32 -8.863 -4.875 -3.302 1.00 32.54 C ATOM 510 CD2 LEU A 32 -9.899 -2.868 -4.411 1.00 14.45 C ATOM 0 H LEU A 32 -12.489 -3.830 -2.104 1.00 42.34 H new ATOM 0 HA LEU A 32 -12.847 -6.336 -3.530 1.00 0.22 H new ATOM 0 HB2 LEU A 32 -10.857 -5.669 -4.727 1.00 2.10 H new ATOM 0 HB3 LEU A 32 -11.955 -4.307 -4.623 1.00 2.10 H new ATOM 0 HG LEU A 32 -10.449 -3.688 -2.511 1.00 21.44 H new ATOM 0 HD11 LEU A 32 -8.076 -4.229 -2.913 1.00 32.54 H new ATOM 0 HD12 LEU A 32 -9.046 -5.687 -2.598 1.00 32.54 H new ATOM 0 HD13 LEU A 32 -8.552 -5.289 -4.261 1.00 32.54 H new ATOM 0 HD21 LEU A 32 -9.090 -2.258 -4.008 1.00 14.45 H new ATOM 0 HD22 LEU A 32 -9.624 -3.225 -5.403 1.00 14.45 H new ATOM 0 HD23 LEU A 32 -10.806 -2.268 -4.480 1.00 14.45 H new ATOM 522 N LEU A 33 -10.874 -6.152 -0.949 1.00 63.22 N ATOM 523 CA LEU A 33 -10.061 -6.941 -0.013 1.00 74.10 C ATOM 524 C LEU A 33 -10.831 -8.188 0.454 1.00 25.02 C ATOM 525 O LEU A 33 -11.663 -8.118 1.361 1.00 71.41 O ATOM 526 CB LEU A 33 -9.657 -6.072 1.188 1.00 41.32 C ATOM 527 CG LEU A 33 -8.844 -4.811 0.837 1.00 32.22 C ATOM 528 CD1 LEU A 33 -8.608 -3.949 2.072 1.00 42.31 C ATOM 529 CD2 LEU A 33 -7.515 -5.185 0.182 1.00 2.10 C ATOM 0 H LEU A 33 -11.118 -5.222 -0.608 1.00 63.22 H new ATOM 0 HA LEU A 33 -9.158 -7.274 -0.525 1.00 74.10 H new ATOM 0 HB2 LEU A 33 -10.560 -5.768 1.717 1.00 41.32 H new ATOM 0 HB3 LEU A 33 -9.073 -6.681 1.878 1.00 41.32 H new ATOM 0 HG LEU A 33 -9.426 -4.228 0.123 1.00 32.22 H new ATOM 0 HD11 LEU A 33 -8.032 -3.066 1.795 1.00 42.31 H new ATOM 0 HD12 LEU A 33 -9.567 -3.641 2.489 1.00 42.31 H new ATOM 0 HD13 LEU A 33 -8.056 -4.523 2.816 1.00 42.31 H new ATOM 0 HD21 LEU A 33 -6.959 -4.278 -0.057 1.00 2.10 H new ATOM 0 HD22 LEU A 33 -6.931 -5.799 0.868 1.00 2.10 H new ATOM 0 HD23 LEU A 33 -7.705 -5.745 -0.733 1.00 2.10 H new ATOM 541 N LYS A 34 -10.551 -9.325 -0.176 1.00 75.03 N ATOM 542 CA LYS A 34 -11.374 -10.533 -0.012 1.00 65.24 C ATOM 543 C LYS A 34 -10.620 -11.693 0.667 1.00 22.04 C ATOM 544 O LYS A 34 -11.240 -12.648 1.147 1.00 71.32 O ATOM 545 CB LYS A 34 -11.883 -10.966 -1.396 1.00 14.30 C ATOM 546 CG LYS A 34 -10.764 -11.277 -2.388 1.00 30.22 C ATOM 547 CD LYS A 34 -11.257 -11.387 -3.834 1.00 31.20 C ATOM 548 CE LYS A 34 -12.229 -12.542 -4.057 1.00 2.42 C ATOM 549 NZ LYS A 34 -13.566 -12.297 -3.448 1.00 52.24 N ATOM 0 H LYS A 34 -9.759 -9.442 -0.808 1.00 75.03 H new ATOM 0 HA LYS A 34 -12.205 -10.286 0.649 1.00 65.24 H new ATOM 0 HB2 LYS A 34 -12.513 -11.848 -1.283 1.00 14.30 H new ATOM 0 HB3 LYS A 34 -12.512 -10.176 -1.806 1.00 14.30 H new ATOM 0 HG2 LYS A 34 -10.005 -10.497 -2.327 1.00 30.22 H new ATOM 0 HG3 LYS A 34 -10.283 -12.212 -2.102 1.00 30.22 H new ATOM 0 HD2 LYS A 34 -11.743 -10.453 -4.116 1.00 31.20 H new ATOM 0 HD3 LYS A 34 -10.399 -11.512 -4.494 1.00 31.20 H new ATOM 0 HE2 LYS A 34 -12.348 -12.709 -5.128 1.00 2.42 H new ATOM 0 HE3 LYS A 34 -11.805 -13.454 -3.637 1.00 2.42 H new ATOM 0 HZ1 LYS A 34 -14.310 -12.578 -4.118 1.00 52.24 H new ATOM 0 HZ2 LYS A 34 -13.657 -12.855 -2.575 1.00 52.24 H new ATOM 0 HZ3 LYS A 34 -13.666 -11.286 -3.225 1.00 52.24 H new ATOM 563 N LYS A 35 -9.292 -11.622 0.707 1.00 21.24 N ATOM 564 CA LYS A 35 -8.477 -12.682 1.312 1.00 4.34 C ATOM 565 C LYS A 35 -7.232 -12.110 2.006 1.00 1.02 C ATOM 566 O LYS A 35 -6.840 -10.966 1.767 1.00 25.14 O ATOM 567 CB LYS A 35 -8.078 -13.713 0.243 1.00 22.33 C ATOM 568 CG LYS A 35 -7.246 -13.131 -0.894 1.00 65.34 C ATOM 569 CD LYS A 35 -7.136 -14.088 -2.077 1.00 33.22 C ATOM 570 CE LYS A 35 -8.500 -14.380 -2.700 1.00 2.51 C ATOM 571 NZ LYS A 35 -8.396 -15.229 -3.917 1.00 35.01 N ATOM 0 H LYS A 35 -8.753 -10.843 0.329 1.00 21.24 H new ATOM 0 HA LYS A 35 -9.077 -13.176 2.076 1.00 4.34 H new ATOM 0 HB2 LYS A 35 -7.515 -14.516 0.719 1.00 22.33 H new ATOM 0 HB3 LYS A 35 -8.981 -14.160 -0.172 1.00 22.33 H new ATOM 0 HG2 LYS A 35 -7.694 -12.195 -1.227 1.00 65.34 H new ATOM 0 HG3 LYS A 35 -6.247 -12.894 -0.527 1.00 65.34 H new ATOM 0 HD2 LYS A 35 -6.476 -13.659 -2.831 1.00 33.22 H new ATOM 0 HD3 LYS A 35 -6.679 -15.021 -1.748 1.00 33.22 H new ATOM 0 HE2 LYS A 35 -9.133 -14.878 -1.966 1.00 2.51 H new ATOM 0 HE3 LYS A 35 -8.988 -13.440 -2.956 1.00 2.51 H new ATOM 0 HZ1 LYS A 35 -9.346 -15.400 -4.303 1.00 35.01 H new ATOM 0 HZ2 LYS A 35 -7.814 -14.744 -4.630 1.00 35.01 H new ATOM 0 HZ3 LYS A 35 -7.955 -16.138 -3.670 1.00 35.01 H new ATOM 585 N GLN A 36 -6.616 -12.912 2.870 1.00 10.33 N ATOM 586 CA GLN A 36 -5.470 -12.462 3.671 1.00 54.55 C ATOM 587 C GLN A 36 -4.247 -12.167 2.783 1.00 54.23 C ATOM 588 O GLN A 36 -3.557 -13.087 2.332 1.00 5.33 O ATOM 589 CB GLN A 36 -5.110 -13.530 4.721 1.00 72.31 C ATOM 590 CG GLN A 36 -4.373 -12.982 5.939 1.00 54.45 C ATOM 591 CD GLN A 36 -5.291 -12.205 6.876 1.00 10.44 C ATOM 592 OE1 GLN A 36 -5.474 -11.005 6.737 1.00 65.01 O ATOM 593 NE2 GLN A 36 -5.874 -12.887 7.840 1.00 75.55 N ATOM 0 H GLN A 36 -6.889 -13.881 3.037 1.00 10.33 H new ATOM 0 HA GLN A 36 -5.753 -11.538 4.175 1.00 54.55 H new ATOM 0 HB2 GLN A 36 -6.025 -14.020 5.054 1.00 72.31 H new ATOM 0 HB3 GLN A 36 -4.492 -14.294 4.249 1.00 72.31 H new ATOM 0 HG2 GLN A 36 -3.916 -13.807 6.485 1.00 54.45 H new ATOM 0 HG3 GLN A 36 -3.563 -12.332 5.608 1.00 54.45 H new ATOM 0 HE21 GLN A 36 -5.703 -13.888 7.932 1.00 75.55 H new ATOM 0 HE22 GLN A 36 -6.497 -12.414 8.495 1.00 75.55 H new ATOM 602 N GLY A 37 -3.987 -10.887 2.520 1.00 54.21 N ATOM 603 CA GLY A 37 -2.835 -10.511 1.708 1.00 62.12 C ATOM 604 C GLY A 37 -3.120 -9.403 0.697 1.00 65.41 C ATOM 605 O GLY A 37 -2.215 -8.646 0.342 1.00 23.05 O ATOM 0 H GLY A 37 -4.550 -10.104 2.853 1.00 54.21 H new ATOM 0 HA2 GLY A 37 -2.029 -10.188 2.367 1.00 62.12 H new ATOM 0 HA3 GLY A 37 -2.477 -11.392 1.175 1.00 62.12 H new ATOM 609 N ASP A 38 -4.369 -9.314 0.228 1.00 43.20 N ATOM 610 CA ASP A 38 -4.758 -8.312 -0.781 1.00 63.12 C ATOM 611 C ASP A 38 -4.341 -6.892 -0.373 1.00 35.10 C ATOM 612 O ASP A 38 -4.605 -6.458 0.747 1.00 44.23 O ATOM 613 CB ASP A 38 -6.275 -8.334 -1.004 1.00 52.31 C ATOM 614 CG ASP A 38 -6.794 -9.675 -1.479 1.00 43.34 C ATOM 615 OD1 ASP A 38 -6.048 -10.402 -2.168 1.00 60.14 O ATOM 616 OD2 ASP A 38 -7.957 -10.003 -1.160 1.00 23.01 O ATOM 0 H ASP A 38 -5.131 -9.922 0.528 1.00 43.20 H new ATOM 0 HA ASP A 38 -4.239 -8.576 -1.702 1.00 63.12 H new ATOM 0 HB2 ASP A 38 -6.775 -8.068 -0.073 1.00 52.31 H new ATOM 0 HB3 ASP A 38 -6.538 -7.571 -1.736 1.00 52.31 H new ATOM 621 N PHE A 39 -3.709 -6.165 -1.291 1.00 23.42 N ATOM 622 CA PHE A 39 -3.276 -4.789 -1.018 1.00 73.12 C ATOM 623 C PHE A 39 -3.409 -3.895 -2.259 1.00 41.23 C ATOM 624 O PHE A 39 -3.271 -4.357 -3.395 1.00 64.33 O ATOM 625 CB PHE A 39 -1.822 -4.770 -0.515 1.00 31.33 C ATOM 626 CG PHE A 39 -0.800 -5.247 -1.522 1.00 1.43 C ATOM 627 CD1 PHE A 39 -0.517 -6.600 -1.663 1.00 23.30 C ATOM 628 CD2 PHE A 39 -0.116 -4.340 -2.323 1.00 72.42 C ATOM 629 CE1 PHE A 39 0.423 -7.034 -2.577 1.00 2.02 C ATOM 630 CE2 PHE A 39 0.824 -4.773 -3.239 1.00 71.44 C ATOM 631 CZ PHE A 39 1.094 -6.121 -3.366 1.00 51.10 C ATOM 0 H PHE A 39 -3.484 -6.500 -2.228 1.00 23.42 H new ATOM 0 HA PHE A 39 -3.931 -4.391 -0.243 1.00 73.12 H new ATOM 0 HB2 PHE A 39 -1.569 -3.753 -0.214 1.00 31.33 H new ATOM 0 HB3 PHE A 39 -1.752 -5.393 0.377 1.00 31.33 H new ATOM 0 HD1 PHE A 39 -1.038 -7.321 -1.051 1.00 23.30 H new ATOM 0 HD2 PHE A 39 -0.322 -3.284 -2.228 1.00 72.42 H new ATOM 0 HE1 PHE A 39 0.633 -8.089 -2.675 1.00 2.02 H new ATOM 0 HE2 PHE A 39 1.347 -4.057 -3.855 1.00 71.44 H new ATOM 0 HZ PHE A 39 1.829 -6.461 -4.081 1.00 51.10 H new ATOM 641 N LEU A 40 -3.684 -2.611 -2.031 1.00 22.51 N ATOM 642 CA LEU A 40 -3.736 -1.623 -3.113 1.00 41.30 C ATOM 643 C LEU A 40 -3.338 -0.227 -2.616 1.00 52.33 C ATOM 644 O LEU A 40 -3.545 0.114 -1.447 1.00 52.03 O ATOM 645 CB LEU A 40 -5.142 -1.541 -3.733 1.00 11.13 C ATOM 646 CG LEU A 40 -6.232 -0.922 -2.832 1.00 1.53 C ATOM 647 CD1 LEU A 40 -7.383 -0.378 -3.669 1.00 12.23 C ATOM 648 CD2 LEU A 40 -6.745 -1.942 -1.818 1.00 64.43 C ATOM 0 H LEU A 40 -3.875 -2.228 -1.105 1.00 22.51 H new ATOM 0 HA LEU A 40 -3.025 -1.955 -3.870 1.00 41.30 H new ATOM 0 HB2 LEU A 40 -5.081 -0.958 -4.652 1.00 11.13 H new ATOM 0 HB3 LEU A 40 -5.455 -2.547 -4.014 1.00 11.13 H new ATOM 0 HG LEU A 40 -5.783 -0.093 -2.286 1.00 1.53 H new ATOM 0 HD11 LEU A 40 -8.139 0.053 -3.012 1.00 12.23 H new ATOM 0 HD12 LEU A 40 -7.009 0.391 -4.346 1.00 12.23 H new ATOM 0 HD13 LEU A 40 -7.826 -1.188 -4.249 1.00 12.23 H new ATOM 0 HD21 LEU A 40 -7.512 -1.482 -1.195 1.00 64.43 H new ATOM 0 HD22 LEU A 40 -7.170 -2.797 -2.345 1.00 64.43 H new ATOM 0 HD23 LEU A 40 -5.920 -2.277 -1.189 1.00 64.43 H new ATOM 660 N VAL A 41 -2.773 0.575 -3.508 1.00 72.34 N ATOM 661 CA VAL A 41 -2.498 1.981 -3.216 1.00 4.41 C ATOM 662 C VAL A 41 -3.507 2.879 -3.943 1.00 60.40 C ATOM 663 O VAL A 41 -3.744 2.729 -5.144 1.00 21.32 O ATOM 664 CB VAL A 41 -1.055 2.381 -3.618 1.00 52.24 C ATOM 665 CG1 VAL A 41 -0.805 3.869 -3.366 1.00 4.42 C ATOM 666 CG2 VAL A 41 -0.039 1.526 -2.866 1.00 24.25 C ATOM 0 H VAL A 41 -2.494 0.278 -4.443 1.00 72.34 H new ATOM 0 HA VAL A 41 -2.596 2.117 -2.139 1.00 4.41 H new ATOM 0 HB VAL A 41 -0.937 2.201 -4.687 1.00 52.24 H new ATOM 0 HG11 VAL A 41 0.215 4.121 -3.657 1.00 4.42 H new ATOM 0 HG12 VAL A 41 -1.507 4.461 -3.954 1.00 4.42 H new ATOM 0 HG13 VAL A 41 -0.945 4.087 -2.307 1.00 4.42 H new ATOM 0 HG21 VAL A 41 0.970 1.818 -3.158 1.00 24.25 H new ATOM 0 HG22 VAL A 41 -0.163 1.673 -1.793 1.00 24.25 H new ATOM 0 HG23 VAL A 41 -0.197 0.475 -3.109 1.00 24.25 H new ATOM 676 N ARG A 42 -4.117 3.796 -3.207 1.00 43.54 N ATOM 677 CA ARG A 42 -5.110 4.712 -3.774 1.00 41.23 C ATOM 678 C ARG A 42 -4.775 6.162 -3.412 1.00 2.31 C ATOM 679 O ARG A 42 -4.116 6.419 -2.404 1.00 5.31 O ATOM 680 CB ARG A 42 -6.509 4.378 -3.233 1.00 43.02 C ATOM 681 CG ARG A 42 -6.641 4.660 -1.738 1.00 15.31 C ATOM 682 CD ARG A 42 -8.056 4.450 -1.212 1.00 30.15 C ATOM 683 NE ARG A 42 -8.242 5.148 0.060 1.00 23.11 N ATOM 684 CZ ARG A 42 -8.656 4.602 1.161 1.00 2.02 C ATOM 685 NH1 ARG A 42 -8.934 3.338 1.208 1.00 44.24 N ATOM 686 NH2 ARG A 42 -8.782 5.331 2.225 1.00 11.42 N ATOM 0 H ARG A 42 -3.944 3.930 -2.211 1.00 43.54 H new ATOM 0 HA ARG A 42 -5.095 4.596 -4.858 1.00 41.23 H new ATOM 0 HB2 ARG A 42 -7.253 4.960 -3.776 1.00 43.02 H new ATOM 0 HB3 ARG A 42 -6.726 3.327 -3.422 1.00 43.02 H new ATOM 0 HG2 ARG A 42 -5.956 4.012 -1.190 1.00 15.31 H new ATOM 0 HG3 ARG A 42 -6.335 5.687 -1.540 1.00 15.31 H new ATOM 0 HD2 ARG A 42 -8.779 4.814 -1.942 1.00 30.15 H new ATOM 0 HD3 ARG A 42 -8.246 3.385 -1.080 1.00 30.15 H new ATOM 0 HE ARG A 42 -8.029 6.145 0.083 1.00 23.11 H new ATOM 0 HH11 ARG A 42 -8.828 2.761 0.373 1.00 44.24 H new ATOM 0 HH12 ARG A 42 -9.259 2.919 2.080 1.00 44.24 H new ATOM 0 HH21 ARG A 42 -8.556 6.325 2.192 1.00 11.42 H new ATOM 0 HH22 ARG A 42 -9.107 4.911 3.096 1.00 11.42 H new ATOM 700 N GLU A 43 -5.217 7.101 -4.234 1.00 2.44 N ATOM 701 CA GLU A 43 -5.152 8.524 -3.871 1.00 41.34 C ATOM 702 C GLU A 43 -6.540 9.022 -3.414 1.00 3.12 C ATOM 703 O GLU A 43 -7.564 8.550 -3.899 1.00 73.22 O ATOM 704 CB GLU A 43 -4.637 9.354 -5.054 1.00 40.45 C ATOM 705 CG GLU A 43 -4.320 10.805 -4.701 1.00 20.34 C ATOM 706 CD GLU A 43 -3.683 11.575 -5.850 1.00 34.32 C ATOM 707 OE1 GLU A 43 -3.077 10.940 -6.743 1.00 53.04 O ATOM 708 OE2 GLU A 43 -3.760 12.822 -5.849 1.00 40.44 O ATOM 0 H GLU A 43 -5.623 6.915 -5.151 1.00 2.44 H new ATOM 0 HA GLU A 43 -4.454 8.644 -3.042 1.00 41.34 H new ATOM 0 HB2 GLU A 43 -3.738 8.883 -5.452 1.00 40.45 H new ATOM 0 HB3 GLU A 43 -5.383 9.338 -5.848 1.00 40.45 H new ATOM 0 HG2 GLU A 43 -5.239 11.308 -4.400 1.00 20.34 H new ATOM 0 HG3 GLU A 43 -3.649 10.825 -3.842 1.00 20.34 H new ATOM 715 N SER A 44 -6.583 9.960 -2.473 1.00 71.02 N ATOM 716 CA SER A 44 -7.868 10.439 -1.936 1.00 65.23 C ATOM 717 C SER A 44 -8.538 11.476 -2.848 1.00 33.24 C ATOM 718 O SER A 44 -7.912 12.450 -3.265 1.00 43.51 O ATOM 719 CB SER A 44 -7.687 11.047 -0.540 1.00 25.23 C ATOM 720 OG SER A 44 -8.925 11.519 -0.018 1.00 21.43 O ATOM 0 H SER A 44 -5.759 10.403 -2.066 1.00 71.02 H new ATOM 0 HA SER A 44 -8.517 9.565 -1.879 1.00 65.23 H new ATOM 0 HB2 SER A 44 -7.267 10.300 0.133 1.00 25.23 H new ATOM 0 HB3 SER A 44 -6.973 11.869 -0.589 1.00 25.23 H new ATOM 0 HG SER A 44 -8.780 11.900 0.873 1.00 21.43 H new ATOM 794 N GLU A 50 -3.145 12.577 -0.893 1.00 25.04 N ATOM 795 CA GLU A 50 -3.251 11.551 0.151 1.00 51.23 C ATOM 796 C GLU A 50 -3.202 10.144 -0.464 1.00 51.13 C ATOM 797 O GLU A 50 -4.208 9.637 -0.967 1.00 24.44 O ATOM 798 CB GLU A 50 -4.551 11.716 0.961 1.00 63.22 C ATOM 799 CG GLU A 50 -4.692 10.710 2.108 1.00 32.23 C ATOM 800 CD GLU A 50 -6.092 10.669 2.719 1.00 55.20 C ATOM 801 OE1 GLU A 50 -6.418 11.551 3.540 1.00 52.43 O ATOM 802 OE2 GLU A 50 -6.875 9.750 2.379 1.00 1.23 O ATOM 0 HA GLU A 50 -2.402 11.677 0.823 1.00 51.23 H new ATOM 0 HB2 GLU A 50 -4.589 12.726 1.368 1.00 63.22 H new ATOM 0 HB3 GLU A 50 -5.403 11.610 0.290 1.00 63.22 H new ATOM 0 HG2 GLU A 50 -4.436 9.716 1.742 1.00 32.23 H new ATOM 0 HG3 GLU A 50 -3.972 10.958 2.888 1.00 32.23 H new ATOM 809 N TYR A 51 -2.021 9.531 -0.456 1.00 43.51 N ATOM 810 CA TYR A 51 -1.867 8.150 -0.923 1.00 41.52 C ATOM 811 C TYR A 51 -1.983 7.167 0.245 1.00 44.23 C ATOM 812 O TYR A 51 -1.152 7.163 1.156 1.00 52.21 O ATOM 813 CB TYR A 51 -0.526 7.968 -1.647 1.00 54.34 C ATOM 814 CG TYR A 51 -0.450 8.715 -2.964 1.00 70.23 C ATOM 815 CD1 TYR A 51 -0.054 10.046 -3.010 1.00 53.01 C ATOM 816 CD2 TYR A 51 -0.788 8.091 -4.158 1.00 62.23 C ATOM 817 CE1 TYR A 51 0.004 10.731 -4.206 1.00 4.41 C ATOM 818 CE2 TYR A 51 -0.732 8.770 -5.359 1.00 64.40 C ATOM 819 CZ TYR A 51 -0.334 10.089 -5.376 1.00 44.32 C ATOM 820 OH TYR A 51 -0.282 10.773 -6.572 1.00 34.52 O ATOM 0 H TYR A 51 -1.157 9.965 -0.133 1.00 43.51 H new ATOM 0 HA TYR A 51 -2.670 7.940 -1.630 1.00 41.52 H new ATOM 0 HB2 TYR A 51 0.279 8.309 -0.997 1.00 54.34 H new ATOM 0 HB3 TYR A 51 -0.360 6.906 -1.829 1.00 54.34 H new ATOM 0 HD1 TYR A 51 0.213 10.553 -2.094 1.00 53.01 H new ATOM 0 HD2 TYR A 51 -1.100 7.057 -4.147 1.00 62.23 H new ATOM 0 HE1 TYR A 51 0.313 11.766 -4.224 1.00 4.41 H new ATOM 0 HE2 TYR A 51 -0.998 8.271 -6.279 1.00 64.40 H new ATOM 0 HH TYR A 51 -1.193 10.969 -6.877 1.00 34.52 H new ATOM 830 N VAL A 52 -3.024 6.341 0.215 1.00 62.30 N ATOM 831 CA VAL A 52 -3.294 5.387 1.293 1.00 60.15 C ATOM 832 C VAL A 52 -3.135 3.936 0.822 1.00 72.23 C ATOM 833 O VAL A 52 -3.744 3.518 -0.168 1.00 54.13 O ATOM 834 CB VAL A 52 -4.726 5.569 1.858 1.00 71.33 C ATOM 835 CG1 VAL A 52 -4.980 4.609 3.023 1.00 75.31 C ATOM 836 CG2 VAL A 52 -4.956 7.017 2.281 1.00 2.42 C ATOM 0 H VAL A 52 -3.700 6.311 -0.548 1.00 62.30 H new ATOM 0 HA VAL A 52 -2.562 5.591 2.074 1.00 60.15 H new ATOM 0 HB VAL A 52 -5.438 5.329 1.068 1.00 71.33 H new ATOM 0 HG11 VAL A 52 -5.991 4.756 3.402 1.00 75.31 H new ATOM 0 HG12 VAL A 52 -4.868 3.581 2.678 1.00 75.31 H new ATOM 0 HG13 VAL A 52 -4.262 4.805 3.819 1.00 75.31 H new ATOM 0 HG21 VAL A 52 -5.967 7.125 2.675 1.00 2.42 H new ATOM 0 HG22 VAL A 52 -4.235 7.290 3.052 1.00 2.42 H new ATOM 0 HG23 VAL A 52 -4.831 7.672 1.419 1.00 2.42 H new ATOM 846 N LEU A 53 -2.326 3.170 1.544 1.00 74.32 N ATOM 847 CA LEU A 53 -2.191 1.737 1.295 1.00 52.50 C ATOM 848 C LEU A 53 -3.265 0.967 2.072 1.00 25.15 C ATOM 849 O LEU A 53 -3.267 0.953 3.304 1.00 75.02 O ATOM 850 CB LEU A 53 -0.797 1.240 1.712 1.00 55.53 C ATOM 851 CG LEU A 53 -0.553 -0.271 1.526 1.00 22.43 C ATOM 852 CD1 LEU A 53 -0.505 -0.636 0.045 1.00 15.43 C ATOM 853 CD2 LEU A 53 0.726 -0.709 2.235 1.00 1.51 C ATOM 0 H LEU A 53 -1.750 3.518 2.311 1.00 74.32 H new ATOM 0 HA LEU A 53 -2.319 1.562 0.227 1.00 52.50 H new ATOM 0 HB2 LEU A 53 -0.048 1.786 1.138 1.00 55.53 H new ATOM 0 HB3 LEU A 53 -0.639 1.490 2.761 1.00 55.53 H new ATOM 0 HG LEU A 53 -1.389 -0.804 1.979 1.00 22.43 H new ATOM 0 HD11 LEU A 53 -0.332 -1.707 -0.060 1.00 15.43 H new ATOM 0 HD12 LEU A 53 -1.453 -0.374 -0.425 1.00 15.43 H new ATOM 0 HD13 LEU A 53 0.304 -0.088 -0.439 1.00 15.43 H new ATOM 0 HD21 LEU A 53 0.875 -1.779 2.088 1.00 1.51 H new ATOM 0 HD22 LEU A 53 1.575 -0.164 1.823 1.00 1.51 H new ATOM 0 HD23 LEU A 53 0.642 -0.497 3.301 1.00 1.51 H new ATOM 865 N SER A 54 -4.193 0.356 1.351 1.00 10.24 N ATOM 866 CA SER A 54 -5.244 -0.449 1.973 1.00 45.44 C ATOM 867 C SER A 54 -4.977 -1.939 1.744 1.00 51.34 C ATOM 868 O SER A 54 -4.922 -2.400 0.608 1.00 65.22 O ATOM 869 CB SER A 54 -6.624 -0.048 1.430 1.00 11.42 C ATOM 870 OG SER A 54 -6.941 1.298 1.775 1.00 60.43 O ATOM 0 H SER A 54 -4.243 0.400 0.333 1.00 10.24 H new ATOM 0 HA SER A 54 -5.238 -0.262 3.047 1.00 45.44 H new ATOM 0 HB2 SER A 54 -6.639 -0.162 0.346 1.00 11.42 H new ATOM 0 HB3 SER A 54 -7.385 -0.718 1.831 1.00 11.42 H new ATOM 0 HG SER A 54 -7.097 1.360 2.741 1.00 60.43 H new ATOM 876 N VAL A 55 -4.793 -2.683 2.831 1.00 4.33 N ATOM 877 CA VAL A 55 -4.391 -4.094 2.749 1.00 44.33 C ATOM 878 C VAL A 55 -5.144 -4.967 3.765 1.00 10.20 C ATOM 879 O VAL A 55 -5.362 -4.566 4.908 1.00 20.05 O ATOM 880 CB VAL A 55 -2.861 -4.232 2.964 1.00 75.41 C ATOM 881 CG1 VAL A 55 -2.426 -3.523 4.246 1.00 3.12 C ATOM 882 CG2 VAL A 55 -2.433 -5.702 2.980 1.00 63.01 C ATOM 0 H VAL A 55 -4.915 -2.337 3.783 1.00 4.33 H new ATOM 0 HA VAL A 55 -4.651 -4.448 1.751 1.00 44.33 H new ATOM 0 HB VAL A 55 -2.362 -3.750 2.123 1.00 75.41 H new ATOM 0 HG11 VAL A 55 -1.349 -3.633 4.376 1.00 3.12 H new ATOM 0 HG12 VAL A 55 -2.677 -2.464 4.179 1.00 3.12 H new ATOM 0 HG13 VAL A 55 -2.941 -3.965 5.099 1.00 3.12 H new ATOM 0 HG21 VAL A 55 -1.356 -5.766 3.132 1.00 63.01 H new ATOM 0 HG22 VAL A 55 -2.945 -6.221 3.790 1.00 63.01 H new ATOM 0 HG23 VAL A 55 -2.693 -6.167 2.029 1.00 63.01 H new ATOM 892 N TYR A 56 -5.539 -6.163 3.340 1.00 52.34 N ATOM 893 CA TYR A 56 -6.270 -7.093 4.201 1.00 72.53 C ATOM 894 C TYR A 56 -5.293 -7.931 5.048 1.00 60.34 C ATOM 895 O TYR A 56 -4.673 -8.873 4.551 1.00 42.15 O ATOM 896 CB TYR A 56 -7.156 -8.002 3.334 1.00 44.53 C ATOM 897 CG TYR A 56 -8.277 -8.693 4.091 1.00 5.01 C ATOM 898 CD1 TYR A 56 -9.510 -8.069 4.260 1.00 13.23 C ATOM 899 CD2 TYR A 56 -8.111 -9.968 4.620 1.00 12.35 C ATOM 900 CE1 TYR A 56 -10.541 -8.695 4.932 1.00 41.11 C ATOM 901 CE2 TYR A 56 -9.138 -10.598 5.294 1.00 1.32 C ATOM 902 CZ TYR A 56 -10.350 -9.959 5.446 1.00 52.33 C ATOM 903 OH TYR A 56 -11.375 -10.587 6.116 1.00 3.50 O ATOM 0 H TYR A 56 -5.365 -6.515 2.399 1.00 52.34 H new ATOM 0 HA TYR A 56 -6.902 -6.526 4.885 1.00 72.53 H new ATOM 0 HB2 TYR A 56 -7.590 -7.407 2.531 1.00 44.53 H new ATOM 0 HB3 TYR A 56 -6.529 -8.761 2.866 1.00 44.53 H new ATOM 0 HD1 TYR A 56 -9.663 -7.078 3.859 1.00 13.23 H new ATOM 0 HD2 TYR A 56 -7.164 -10.473 4.502 1.00 12.35 H new ATOM 0 HE1 TYR A 56 -11.491 -8.197 5.054 1.00 41.11 H new ATOM 0 HE2 TYR A 56 -8.992 -11.588 5.701 1.00 1.32 H new ATOM 0 HH TYR A 56 -11.400 -10.273 7.044 1.00 3.50 H new ATOM 913 N SER A 57 -5.155 -7.573 6.324 1.00 65.44 N ATOM 914 CA SER A 57 -4.213 -8.256 7.228 1.00 62.45 C ATOM 915 C SER A 57 -4.860 -8.570 8.578 1.00 72.10 C ATOM 916 O SER A 57 -5.606 -7.754 9.123 1.00 22.44 O ATOM 917 CB SER A 57 -2.961 -7.399 7.450 1.00 63.32 C ATOM 918 OG SER A 57 -2.071 -8.004 8.382 1.00 10.31 O ATOM 0 H SER A 57 -5.680 -6.815 6.761 1.00 65.44 H new ATOM 0 HA SER A 57 -3.930 -9.195 6.752 1.00 62.45 H new ATOM 0 HB2 SER A 57 -2.448 -7.250 6.500 1.00 63.32 H new ATOM 0 HB3 SER A 57 -3.253 -6.413 7.812 1.00 63.32 H new ATOM 0 HG SER A 57 -2.409 -7.869 9.292 1.00 10.31 H new ATOM 924 N ASP A 58 -4.561 -9.760 9.109 1.00 32.43 N ATOM 925 CA ASP A 58 -5.136 -10.236 10.377 1.00 24.04 C ATOM 926 C ASP A 58 -6.666 -10.390 10.273 1.00 54.51 C ATOM 927 O ASP A 58 -7.365 -10.515 11.281 1.00 73.05 O ATOM 928 CB ASP A 58 -4.769 -9.283 11.523 1.00 71.11 C ATOM 929 CG ASP A 58 -3.274 -9.023 11.596 1.00 41.21 C ATOM 930 OD1 ASP A 58 -2.530 -9.917 12.048 1.00 1.11 O ATOM 931 OD2 ASP A 58 -2.839 -7.918 11.205 1.00 31.33 O ATOM 0 H ASP A 58 -3.916 -10.421 8.676 1.00 32.43 H new ATOM 0 HA ASP A 58 -4.714 -11.218 10.589 1.00 24.04 H new ATOM 0 HB2 ASP A 58 -5.294 -8.337 11.389 1.00 71.11 H new ATOM 0 HB3 ASP A 58 -5.109 -9.706 12.468 1.00 71.11 H new ATOM 936 N GLY A 59 -7.176 -10.407 9.042 1.00 10.01 N ATOM 937 CA GLY A 59 -8.618 -10.471 8.820 1.00 73.35 C ATOM 938 C GLY A 59 -9.285 -9.097 8.833 1.00 22.11 C ATOM 939 O GLY A 59 -10.502 -8.988 8.685 1.00 34.12 O ATOM 0 H GLY A 59 -6.616 -10.378 8.190 1.00 10.01 H new ATOM 0 HA2 GLY A 59 -8.812 -10.954 7.862 1.00 73.35 H new ATOM 0 HA3 GLY A 59 -9.071 -11.096 9.589 1.00 73.35 H new ATOM 943 N GLN A 60 -8.480 -8.050 9.007 1.00 24.11 N ATOM 944 CA GLN A 60 -8.977 -6.670 9.082 1.00 21.53 C ATOM 945 C GLN A 60 -8.495 -5.842 7.880 1.00 20.41 C ATOM 946 O GLN A 60 -7.433 -6.113 7.312 1.00 53.53 O ATOM 947 CB GLN A 60 -8.485 -6.021 10.383 1.00 21.12 C ATOM 948 CG GLN A 60 -8.920 -6.761 11.646 1.00 54.05 C ATOM 949 CD GLN A 60 -8.248 -6.224 12.898 1.00 32.52 C ATOM 950 OE1 GLN A 60 -7.190 -6.697 13.303 1.00 44.50 O ATOM 951 NE2 GLN A 60 -8.843 -5.222 13.510 1.00 23.12 N ATOM 0 H GLN A 60 -7.467 -8.130 9.100 1.00 24.11 H new ATOM 0 HA GLN A 60 -10.067 -6.695 9.066 1.00 21.53 H new ATOM 0 HB2 GLN A 60 -7.397 -5.967 10.362 1.00 21.12 H new ATOM 0 HB3 GLN A 60 -8.854 -4.996 10.429 1.00 21.12 H new ATOM 0 HG2 GLN A 60 -10.001 -6.681 11.756 1.00 54.05 H new ATOM 0 HG3 GLN A 60 -8.688 -7.821 11.540 1.00 54.05 H new ATOM 0 HE21 GLN A 60 -9.722 -4.852 13.147 1.00 23.12 H new ATOM 0 HE22 GLN A 60 -8.425 -4.815 14.347 1.00 23.12 H new ATOM 960 N ARG A 61 -9.270 -4.831 7.493 1.00 52.34 N ATOM 961 CA ARG A 61 -8.855 -3.928 6.417 1.00 65.15 C ATOM 962 C ARG A 61 -7.928 -2.831 6.966 1.00 5.25 C ATOM 963 O ARG A 61 -8.381 -1.874 7.593 1.00 72.24 O ATOM 964 CB ARG A 61 -10.066 -3.281 5.724 1.00 23.13 C ATOM 965 CG ARG A 61 -10.977 -4.252 4.968 1.00 0.15 C ATOM 966 CD ARG A 61 -11.804 -5.130 5.904 1.00 63.52 C ATOM 967 NE ARG A 61 -12.910 -5.787 5.212 1.00 33.04 N ATOM 968 CZ ARG A 61 -14.059 -6.062 5.769 1.00 11.41 C ATOM 969 NH1 ARG A 61 -14.266 -5.794 7.017 1.00 55.35 N ATOM 970 NH2 ARG A 61 -14.996 -6.609 5.075 1.00 73.21 N ATOM 0 H ARG A 61 -10.179 -4.616 7.902 1.00 52.34 H new ATOM 0 HA ARG A 61 -8.317 -4.523 5.680 1.00 65.15 H new ATOM 0 HB2 ARG A 61 -10.660 -2.761 6.475 1.00 23.13 H new ATOM 0 HB3 ARG A 61 -9.705 -2.527 5.025 1.00 23.13 H new ATOM 0 HG2 ARG A 61 -11.647 -3.686 4.320 1.00 0.15 H new ATOM 0 HG3 ARG A 61 -10.370 -4.887 4.323 1.00 0.15 H new ATOM 0 HD2 ARG A 61 -11.160 -5.885 6.354 1.00 63.52 H new ATOM 0 HD3 ARG A 61 -12.198 -4.521 6.717 1.00 63.52 H new ATOM 0 HE ARG A 61 -12.777 -6.047 4.235 1.00 33.04 H new ATOM 0 HH11 ARG A 61 -13.529 -5.364 7.575 1.00 55.35 H new ATOM 0 HH12 ARG A 61 -15.167 -6.012 7.443 1.00 55.35 H new ATOM 0 HH21 ARG A 61 -14.841 -6.827 4.091 1.00 73.21 H new ATOM 0 HH22 ARG A 61 -15.893 -6.824 5.510 1.00 73.21 H new ATOM 984 N ARG A 62 -6.633 -2.978 6.716 1.00 13.24 N ATOM 985 CA ARG A 62 -5.629 -2.025 7.203 1.00 2.11 C ATOM 986 C ARG A 62 -5.505 -0.818 6.262 1.00 2.53 C ATOM 987 O ARG A 62 -5.776 -0.922 5.064 1.00 71.40 O ATOM 988 CB ARG A 62 -4.267 -2.720 7.331 1.00 72.34 C ATOM 989 CG ARG A 62 -4.282 -3.975 8.203 1.00 65.12 C ATOM 990 CD ARG A 62 -4.657 -3.672 9.649 1.00 42.04 C ATOM 991 NE ARG A 62 -4.553 -4.862 10.495 1.00 5.25 N ATOM 992 CZ ARG A 62 -4.464 -4.834 11.799 1.00 45.41 C ATOM 993 NH1 ARG A 62 -4.514 -3.711 12.440 1.00 43.12 N ATOM 994 NH2 ARG A 62 -4.320 -5.932 12.461 1.00 32.33 N ATOM 0 H ARG A 62 -6.246 -3.752 6.176 1.00 13.24 H new ATOM 0 HA ARG A 62 -5.952 -1.666 8.180 1.00 2.11 H new ATOM 0 HB2 ARG A 62 -3.914 -2.988 6.335 1.00 72.34 H new ATOM 0 HB3 ARG A 62 -3.548 -2.013 7.745 1.00 72.34 H new ATOM 0 HG2 ARG A 62 -4.990 -4.693 7.790 1.00 65.12 H new ATOM 0 HG3 ARG A 62 -3.299 -4.445 8.176 1.00 65.12 H new ATOM 0 HD2 ARG A 62 -4.005 -2.890 10.038 1.00 42.04 H new ATOM 0 HD3 ARG A 62 -5.675 -3.286 9.688 1.00 42.04 H new ATOM 0 HE ARG A 62 -4.550 -5.773 10.037 1.00 5.25 H new ATOM 0 HH11 ARG A 62 -4.624 -2.836 11.928 1.00 43.12 H new ATOM 0 HH12 ARG A 62 -4.444 -3.701 13.458 1.00 43.12 H new ATOM 0 HH21 ARG A 62 -4.275 -6.823 11.967 1.00 32.33 H new ATOM 0 HH22 ARG A 62 -4.251 -5.909 13.478 1.00 32.33 H new ATOM 1008 N HIS A 63 -5.098 0.328 6.807 1.00 44.34 N ATOM 1009 CA HIS A 63 -4.953 1.559 6.018 1.00 50.34 C ATOM 1010 C HIS A 63 -3.734 2.377 6.483 1.00 42.50 C ATOM 1011 O HIS A 63 -3.683 2.836 7.629 1.00 14.04 O ATOM 1012 CB HIS A 63 -6.225 2.417 6.123 1.00 3.33 C ATOM 1013 CG HIS A 63 -7.492 1.675 5.806 1.00 13.45 C ATOM 1014 ND1 HIS A 63 -7.838 1.277 4.529 1.00 33.43 N ATOM 1015 CD2 HIS A 63 -8.500 1.254 6.609 1.00 52.31 C ATOM 1016 CE1 HIS A 63 -9.000 0.653 4.563 1.00 73.11 C ATOM 1017 NE2 HIS A 63 -9.421 0.625 5.810 1.00 52.11 N ATOM 0 H HIS A 63 -4.861 0.433 7.794 1.00 44.34 H new ATOM 0 HA HIS A 63 -4.799 1.271 4.978 1.00 50.34 H new ATOM 0 HB2 HIS A 63 -6.296 2.821 7.133 1.00 3.33 H new ATOM 0 HB3 HIS A 63 -6.135 3.266 5.446 1.00 3.33 H new ATOM 0 HD2 HIS A 63 -8.566 1.389 7.679 1.00 52.31 H new ATOM 0 HE1 HIS A 63 -9.518 0.236 3.712 1.00 73.11 H new ATOM 0 HE2 HIS A 63 -10.292 0.203 6.131 1.00 52.11 H new ATOM 1026 N PHE A 64 -2.763 2.572 5.590 1.00 61.22 N ATOM 1027 CA PHE A 64 -1.533 3.306 5.922 1.00 73.52 C ATOM 1028 C PHE A 64 -1.313 4.499 4.974 1.00 31.31 C ATOM 1029 O PHE A 64 -1.077 4.319 3.780 1.00 65.10 O ATOM 1030 CB PHE A 64 -0.323 2.360 5.865 1.00 44.54 C ATOM 1031 CG PHE A 64 -0.498 1.109 6.690 1.00 71.20 C ATOM 1032 CD1 PHE A 64 -0.514 1.175 8.077 1.00 43.41 C ATOM 1033 CD2 PHE A 64 -0.667 -0.128 6.083 1.00 43.24 C ATOM 1034 CE1 PHE A 64 -0.686 0.032 8.838 1.00 42.53 C ATOM 1035 CE2 PHE A 64 -0.840 -1.272 6.840 1.00 54.24 C ATOM 1036 CZ PHE A 64 -0.852 -1.191 8.218 1.00 11.33 C ATOM 0 H PHE A 64 -2.801 2.233 4.629 1.00 61.22 H new ATOM 0 HA PHE A 64 -1.641 3.697 6.934 1.00 73.52 H new ATOM 0 HB2 PHE A 64 -0.140 2.079 4.828 1.00 44.54 H new ATOM 0 HB3 PHE A 64 0.562 2.894 6.212 1.00 44.54 H new ATOM 0 HD1 PHE A 64 -0.391 2.129 8.567 1.00 43.41 H new ATOM 0 HD2 PHE A 64 -0.663 -0.198 5.005 1.00 43.24 H new ATOM 0 HE1 PHE A 64 -0.690 0.096 9.916 1.00 42.53 H new ATOM 0 HE2 PHE A 64 -0.966 -2.228 6.354 1.00 54.24 H new ATOM 0 HZ PHE A 64 -0.991 -2.083 8.811 1.00 11.33 H new ATOM 1046 N ILE A 65 -1.405 5.715 5.509 1.00 64.52 N ATOM 1047 CA ILE A 65 -1.157 6.933 4.724 1.00 23.22 C ATOM 1048 C ILE A 65 0.350 7.163 4.524 1.00 22.13 C ATOM 1049 O ILE A 65 1.138 6.981 5.451 1.00 33.03 O ATOM 1050 CB ILE A 65 -1.778 8.178 5.411 1.00 21.04 C ATOM 1051 CG1 ILE A 65 -3.287 7.968 5.629 1.00 11.14 C ATOM 1052 CG2 ILE A 65 -1.520 9.442 4.587 1.00 1.10 C ATOM 1053 CD1 ILE A 65 -3.988 9.135 6.298 1.00 72.35 C ATOM 0 H ILE A 65 -1.650 5.888 6.484 1.00 64.52 H new ATOM 0 HA ILE A 65 -1.629 6.791 3.752 1.00 23.22 H new ATOM 0 HB ILE A 65 -1.301 8.309 6.383 1.00 21.04 H new ATOM 0 HG12 ILE A 65 -3.759 7.780 4.665 1.00 11.14 H new ATOM 0 HG13 ILE A 65 -3.434 7.074 6.236 1.00 11.14 H new ATOM 0 HG21 ILE A 65 -1.965 10.301 5.089 1.00 1.10 H new ATOM 0 HG22 ILE A 65 -0.446 9.597 4.486 1.00 1.10 H new ATOM 0 HG23 ILE A 65 -1.965 9.329 3.598 1.00 1.10 H new ATOM 0 HD11 ILE A 65 -5.047 8.905 6.414 1.00 72.35 H new ATOM 0 HD12 ILE A 65 -3.546 9.312 7.278 1.00 72.35 H new ATOM 0 HD13 ILE A 65 -3.876 10.028 5.683 1.00 72.35 H new ATOM 1065 N ILE A 66 0.745 7.565 3.321 1.00 30.31 N ATOM 1066 CA ILE A 66 2.163 7.769 3.000 1.00 41.21 C ATOM 1067 C ILE A 66 2.628 9.213 3.288 1.00 55.12 C ATOM 1068 O ILE A 66 2.058 10.181 2.772 1.00 52.31 O ATOM 1069 CB ILE A 66 2.446 7.432 1.512 1.00 54.32 C ATOM 1070 CG1 ILE A 66 2.035 5.978 1.204 1.00 74.32 C ATOM 1071 CG2 ILE A 66 3.921 7.658 1.177 1.00 54.42 C ATOM 1072 CD1 ILE A 66 2.249 5.565 -0.239 1.00 53.32 C ATOM 0 H ILE A 66 0.107 7.757 2.548 1.00 30.31 H new ATOM 0 HA ILE A 66 2.725 7.094 3.645 1.00 41.21 H new ATOM 0 HB ILE A 66 1.851 8.099 0.888 1.00 54.32 H new ATOM 0 HG12 ILE A 66 2.601 5.307 1.850 1.00 74.32 H new ATOM 0 HG13 ILE A 66 0.982 5.849 1.455 1.00 74.32 H new ATOM 0 HG21 ILE A 66 4.097 7.416 0.129 1.00 54.42 H new ATOM 0 HG22 ILE A 66 4.179 8.702 1.357 1.00 54.42 H new ATOM 0 HG23 ILE A 66 4.539 7.018 1.806 1.00 54.42 H new ATOM 0 HD11 ILE A 66 1.935 4.530 -0.371 1.00 53.32 H new ATOM 0 HD12 ILE A 66 1.661 6.209 -0.893 1.00 53.32 H new ATOM 0 HD13 ILE A 66 3.305 5.659 -0.492 1.00 53.32 H new ATOM 1084 N GLN A 67 3.660 9.349 4.124 1.00 42.42 N ATOM 1085 CA GLN A 67 4.303 10.649 4.377 1.00 71.53 C ATOM 1086 C GLN A 67 5.507 10.860 3.442 1.00 22.54 C ATOM 1087 O GLN A 67 6.168 9.903 3.034 1.00 62.43 O ATOM 1088 CB GLN A 67 4.770 10.767 5.842 1.00 32.41 C ATOM 1089 CG GLN A 67 3.640 10.823 6.869 1.00 11.15 C ATOM 1090 CD GLN A 67 2.896 9.508 7.022 1.00 44.31 C ATOM 1091 OE1 GLN A 67 3.461 8.438 6.841 1.00 52.13 O ATOM 1092 NE2 GLN A 67 1.626 9.576 7.374 1.00 51.13 N ATOM 0 H GLN A 67 4.073 8.573 4.641 1.00 42.42 H new ATOM 0 HA GLN A 67 3.557 11.419 4.181 1.00 71.53 H new ATOM 0 HB2 GLN A 67 5.412 9.917 6.074 1.00 32.41 H new ATOM 0 HB3 GLN A 67 5.380 11.665 5.944 1.00 32.41 H new ATOM 0 HG2 GLN A 67 4.052 11.113 7.836 1.00 11.15 H new ATOM 0 HG3 GLN A 67 2.933 11.600 6.578 1.00 11.15 H new ATOM 0 HE21 GLN A 67 1.184 10.484 7.517 1.00 51.13 H new ATOM 0 HE22 GLN A 67 1.086 8.720 7.503 1.00 51.13 H new ATOM 1101 N TYR A 68 5.795 12.119 3.120 1.00 34.03 N ATOM 1102 CA TYR A 68 6.902 12.457 2.212 1.00 22.24 C ATOM 1103 C TYR A 68 7.977 13.296 2.926 1.00 64.53 C ATOM 1104 O TYR A 68 7.784 14.485 3.176 1.00 0.03 O ATOM 1105 CB TYR A 68 6.354 13.212 0.993 1.00 12.34 C ATOM 1106 CG TYR A 68 7.400 13.559 -0.052 1.00 63.21 C ATOM 1107 CD1 TYR A 68 8.136 12.562 -0.687 1.00 32.33 C ATOM 1108 CD2 TYR A 68 7.640 14.880 -0.412 1.00 44.01 C ATOM 1109 CE1 TYR A 68 9.081 12.876 -1.645 1.00 40.50 C ATOM 1110 CE2 TYR A 68 8.585 15.197 -1.370 1.00 52.44 C ATOM 1111 CZ TYR A 68 9.302 14.193 -1.983 1.00 11.13 C ATOM 1112 OH TYR A 68 10.248 14.506 -2.936 1.00 32.31 O ATOM 0 H TYR A 68 5.280 12.926 3.472 1.00 34.03 H new ATOM 0 HA TYR A 68 7.374 11.531 1.883 1.00 22.24 H new ATOM 0 HB2 TYR A 68 5.577 12.607 0.525 1.00 12.34 H new ATOM 0 HB3 TYR A 68 5.879 14.132 1.334 1.00 12.34 H new ATOM 0 HD1 TYR A 68 7.966 11.528 -0.427 1.00 32.33 H new ATOM 0 HD2 TYR A 68 7.080 15.671 0.064 1.00 44.01 H new ATOM 0 HE1 TYR A 68 9.645 12.091 -2.127 1.00 40.50 H new ATOM 0 HE2 TYR A 68 8.761 16.229 -1.637 1.00 52.44 H new ATOM 0 HH TYR A 68 10.280 15.478 -3.059 1.00 32.31 H new ATOM 1122 N VAL A 69 9.106 12.667 3.256 1.00 3.11 N ATOM 1123 CA VAL A 69 10.190 13.339 3.998 1.00 30.53 C ATOM 1124 C VAL A 69 11.565 13.062 3.358 1.00 52.23 C ATOM 1125 O VAL A 69 11.906 11.908 3.086 1.00 71.03 O ATOM 1126 CB VAL A 69 10.221 12.885 5.485 1.00 20.32 C ATOM 1127 CG1 VAL A 69 11.319 13.615 6.257 1.00 61.14 C ATOM 1128 CG2 VAL A 69 8.861 13.095 6.152 1.00 3.02 C ATOM 0 H VAL A 69 9.300 11.693 3.024 1.00 3.11 H new ATOM 0 HA VAL A 69 9.986 14.409 3.954 1.00 30.53 H new ATOM 0 HB VAL A 69 10.445 11.818 5.502 1.00 20.32 H new ATOM 0 HG11 VAL A 69 11.319 13.279 7.294 1.00 61.14 H new ATOM 0 HG12 VAL A 69 12.287 13.398 5.805 1.00 61.14 H new ATOM 0 HG13 VAL A 69 11.135 14.689 6.223 1.00 61.14 H new ATOM 0 HG21 VAL A 69 8.911 12.769 7.191 1.00 3.02 H new ATOM 0 HG22 VAL A 69 8.597 14.152 6.115 1.00 3.02 H new ATOM 0 HG23 VAL A 69 8.104 12.514 5.626 1.00 3.02 H new ATOM 1138 N ASP A 70 12.344 14.125 3.121 1.00 62.21 N ATOM 1139 CA ASP A 70 13.679 14.008 2.511 1.00 41.25 C ATOM 1140 C ASP A 70 13.645 13.185 1.208 1.00 4.42 C ATOM 1141 O ASP A 70 14.462 12.284 0.996 1.00 5.44 O ATOM 1142 CB ASP A 70 14.679 13.419 3.519 1.00 21.23 C ATOM 1143 CG ASP A 70 15.071 14.425 4.590 1.00 4.21 C ATOM 1144 OD1 ASP A 70 15.856 15.349 4.281 1.00 71.31 O ATOM 1145 OD2 ASP A 70 14.602 14.306 5.742 1.00 41.43 O ATOM 0 H ASP A 70 12.072 15.083 3.343 1.00 62.21 H new ATOM 0 HA ASP A 70 14.012 15.010 2.242 1.00 41.25 H new ATOM 0 HB2 ASP A 70 14.242 12.539 3.991 1.00 21.23 H new ATOM 0 HB3 ASP A 70 15.572 13.086 2.991 1.00 21.23 H new ATOM 1150 N ASN A 71 12.679 13.513 0.347 1.00 54.23 N ATOM 1151 CA ASN A 71 12.522 12.867 -0.965 1.00 10.51 C ATOM 1152 C ASN A 71 12.101 11.389 -0.857 1.00 54.23 C ATOM 1153 O ASN A 71 11.941 10.715 -1.875 1.00 2.03 O ATOM 1154 CB ASN A 71 13.812 12.982 -1.791 1.00 1.31 C ATOM 1155 CG ASN A 71 14.157 14.414 -2.168 1.00 43.20 C ATOM 1156 OD1 ASN A 71 13.847 15.357 -1.450 1.00 70.54 O ATOM 1157 ND2 ASN A 71 14.798 14.589 -3.304 1.00 30.13 N ATOM 0 H ASN A 71 11.982 14.233 0.536 1.00 54.23 H new ATOM 0 HA ASN A 71 11.717 13.399 -1.472 1.00 10.51 H new ATOM 0 HB2 ASN A 71 14.638 12.554 -1.224 1.00 1.31 H new ATOM 0 HB3 ASN A 71 13.708 12.389 -2.700 1.00 1.31 H new ATOM 0 HD21 ASN A 71 15.050 15.530 -3.608 1.00 30.13 H new ATOM 0 HD22 ASN A 71 15.043 13.784 -3.881 1.00 30.13 H new ATOM 1164 N MET A 72 11.907 10.888 0.364 1.00 10.43 N ATOM 1165 CA MET A 72 11.549 9.478 0.574 1.00 32.21 C ATOM 1166 C MET A 72 10.116 9.318 1.107 1.00 11.32 C ATOM 1167 O MET A 72 9.737 9.928 2.114 1.00 23.45 O ATOM 1168 CB MET A 72 12.539 8.818 1.544 1.00 33.41 C ATOM 1169 CG MET A 72 13.987 8.846 1.067 1.00 30.24 C ATOM 1170 SD MET A 72 15.111 8.055 2.238 1.00 4.22 S ATOM 1171 CE MET A 72 16.683 8.284 1.404 1.00 24.41 C ATOM 0 H MET A 72 11.991 11.433 1.222 1.00 10.43 H new ATOM 0 HA MET A 72 11.600 8.984 -0.396 1.00 32.21 H new ATOM 0 HB2 MET A 72 12.475 9.320 2.509 1.00 33.41 H new ATOM 0 HB3 MET A 72 12.240 7.782 1.703 1.00 33.41 H new ATOM 0 HG2 MET A 72 14.059 8.344 0.102 1.00 30.24 H new ATOM 0 HG3 MET A 72 14.296 9.880 0.912 1.00 30.24 H new ATOM 0 HE1 MET A 72 17.481 7.847 2.005 1.00 24.41 H new ATOM 0 HE2 MET A 72 16.653 7.795 0.430 1.00 24.41 H new ATOM 0 HE3 MET A 72 16.872 9.349 1.270 1.00 24.41 H new ATOM 1181 N TYR A 73 9.334 8.482 0.428 1.00 22.51 N ATOM 1182 CA TYR A 73 7.969 8.151 0.848 1.00 72.21 C ATOM 1183 C TYR A 73 7.979 7.035 1.907 1.00 5.32 C ATOM 1184 O TYR A 73 8.563 5.971 1.698 1.00 24.12 O ATOM 1185 CB TYR A 73 7.138 7.701 -0.363 1.00 71.42 C ATOM 1186 CG TYR A 73 6.980 8.761 -1.437 1.00 65.31 C ATOM 1187 CD1 TYR A 73 5.953 9.700 -1.372 1.00 2.04 C ATOM 1188 CD2 TYR A 73 7.850 8.819 -2.521 1.00 23.44 C ATOM 1189 CE1 TYR A 73 5.801 10.662 -2.354 1.00 34.14 C ATOM 1190 CE2 TYR A 73 7.703 9.776 -3.506 1.00 2.30 C ATOM 1191 CZ TYR A 73 6.678 10.696 -3.417 1.00 14.31 C ATOM 1192 OH TYR A 73 6.527 11.652 -4.399 1.00 44.13 O ATOM 0 H TYR A 73 9.626 8.013 -0.430 1.00 22.51 H new ATOM 0 HA TYR A 73 7.522 9.044 1.284 1.00 72.21 H new ATOM 0 HB2 TYR A 73 7.606 6.820 -0.803 1.00 71.42 H new ATOM 0 HB3 TYR A 73 6.149 7.398 -0.019 1.00 71.42 H new ATOM 0 HD1 TYR A 73 5.264 9.676 -0.541 1.00 2.04 H new ATOM 0 HD2 TYR A 73 8.655 8.103 -2.594 1.00 23.44 H new ATOM 0 HE1 TYR A 73 4.999 11.383 -2.288 1.00 34.14 H new ATOM 0 HE2 TYR A 73 8.387 9.804 -4.342 1.00 2.30 H new ATOM 0 HH TYR A 73 7.227 11.539 -5.076 1.00 44.13 H new ATOM 1202 N ARG A 74 7.315 7.279 3.034 1.00 61.54 N ATOM 1203 CA ARG A 74 7.293 6.323 4.151 1.00 61.34 C ATOM 1204 C ARG A 74 5.868 6.098 4.678 1.00 34.22 C ATOM 1205 O ARG A 74 4.980 6.921 4.465 1.00 4.01 O ATOM 1206 CB ARG A 74 8.171 6.831 5.304 1.00 0.24 C ATOM 1207 CG ARG A 74 7.747 8.203 5.842 1.00 43.11 C ATOM 1208 CD ARG A 74 8.717 9.307 5.435 1.00 11.12 C ATOM 1209 NE ARG A 74 9.969 9.225 6.182 1.00 41.53 N ATOM 1210 CZ ARG A 74 11.154 9.384 5.665 1.00 54.10 C ATOM 1211 NH1 ARG A 74 11.299 9.613 4.401 1.00 32.31 N ATOM 1212 NH2 ARG A 74 12.198 9.317 6.421 1.00 34.13 N ATOM 0 H ARG A 74 6.782 8.132 3.203 1.00 61.54 H new ATOM 0 HA ARG A 74 7.680 5.377 3.772 1.00 61.34 H new ATOM 0 HB2 ARG A 74 8.142 6.106 6.118 1.00 0.24 H new ATOM 0 HB3 ARG A 74 9.205 6.887 4.964 1.00 0.24 H new ATOM 0 HG2 ARG A 74 6.750 8.444 5.473 1.00 43.11 H new ATOM 0 HG3 ARG A 74 7.683 8.161 6.929 1.00 43.11 H new ATOM 0 HD2 ARG A 74 8.924 9.235 4.367 1.00 11.12 H new ATOM 0 HD3 ARG A 74 8.254 10.279 5.605 1.00 11.12 H new ATOM 0 HE ARG A 74 9.911 9.029 7.181 1.00 41.53 H new ATOM 0 HH11 ARG A 74 10.480 9.671 3.796 1.00 32.31 H new ATOM 0 HH12 ARG A 74 12.233 9.736 4.009 1.00 32.31 H new ATOM 0 HH21 ARG A 74 12.094 9.140 7.420 1.00 34.13 H new ATOM 0 HH22 ARG A 74 13.127 9.441 6.019 1.00 34.13 H new ATOM 1226 N PHE A 75 5.663 4.981 5.372 1.00 44.33 N ATOM 1227 CA PHE A 75 4.392 4.716 6.060 1.00 2.51 C ATOM 1228 C PHE A 75 4.452 5.187 7.524 1.00 3.04 C ATOM 1229 O PHE A 75 3.623 5.983 7.966 1.00 33.24 O ATOM 1230 CB PHE A 75 4.042 3.222 5.987 1.00 24.41 C ATOM 1231 CG PHE A 75 3.770 2.737 4.582 1.00 14.52 C ATOM 1232 CD1 PHE A 75 2.611 3.117 3.918 1.00 42.25 C ATOM 1233 CD2 PHE A 75 4.666 1.901 3.926 1.00 60.21 C ATOM 1234 CE1 PHE A 75 2.354 2.679 2.635 1.00 63.10 C ATOM 1235 CE2 PHE A 75 4.409 1.458 2.640 1.00 73.04 C ATOM 1236 CZ PHE A 75 3.251 1.847 1.995 1.00 54.11 C ATOM 0 H PHE A 75 6.358 4.242 5.476 1.00 44.33 H new ATOM 0 HA PHE A 75 3.608 5.280 5.555 1.00 2.51 H new ATOM 0 HB2 PHE A 75 4.863 2.643 6.411 1.00 24.41 H new ATOM 0 HB3 PHE A 75 3.165 3.031 6.605 1.00 24.41 H new ATOM 0 HD1 PHE A 75 1.901 3.764 4.412 1.00 42.25 H new ATOM 0 HD2 PHE A 75 5.573 1.594 4.425 1.00 60.21 H new ATOM 0 HE1 PHE A 75 1.450 2.987 2.131 1.00 63.10 H new ATOM 0 HE2 PHE A 75 5.113 0.809 2.141 1.00 73.04 H new ATOM 0 HZ PHE A 75 3.048 1.501 0.992 1.00 54.11 H new ATOM 1246 N GLU A 76 5.433 4.692 8.280 1.00 75.50 N ATOM 1247 CA GLU A 76 5.663 5.175 9.651 1.00 43.54 C ATOM 1248 C GLU A 76 7.020 5.887 9.782 1.00 33.33 C ATOM 1249 O GLU A 76 7.113 6.952 10.398 1.00 45.44 O ATOM 1250 CB GLU A 76 5.564 4.029 10.670 1.00 44.41 C ATOM 1251 CG GLU A 76 6.591 2.916 10.489 1.00 4.13 C ATOM 1252 CD GLU A 76 6.619 1.964 11.675 1.00 43.45 C ATOM 1253 OE1 GLU A 76 5.814 1.015 11.701 1.00 34.34 O ATOM 1254 OE2 GLU A 76 7.438 2.179 12.595 1.00 62.11 O ATOM 0 H GLU A 76 6.078 3.964 7.974 1.00 75.50 H new ATOM 0 HA GLU A 76 4.878 5.900 9.868 1.00 43.54 H new ATOM 0 HB2 GLU A 76 5.672 4.444 11.672 1.00 44.41 H new ATOM 0 HB3 GLU A 76 4.566 3.595 10.611 1.00 44.41 H new ATOM 0 HG2 GLU A 76 6.363 2.357 9.581 1.00 4.13 H new ATOM 0 HG3 GLU A 76 7.580 3.354 10.353 1.00 4.13 H new ATOM 1261 N GLY A 77 8.063 5.303 9.190 1.00 23.35 N ATOM 1262 CA GLY A 77 9.402 5.891 9.245 1.00 12.14 C ATOM 1263 C GLY A 77 10.294 5.432 8.094 1.00 14.01 C ATOM 1264 O GLY A 77 10.689 6.231 7.244 1.00 62.23 O ATOM 0 H GLY A 77 8.007 4.428 8.669 1.00 23.35 H new ATOM 0 HA2 GLY A 77 9.318 6.978 9.224 1.00 12.14 H new ATOM 0 HA3 GLY A 77 9.872 5.626 10.192 1.00 12.14 H new ATOM 1268 N THR A 78 10.621 4.139 8.071 1.00 10.44 N ATOM 1269 CA THR A 78 11.392 3.550 6.962 1.00 2.32 C ATOM 1270 C THR A 78 10.615 3.625 5.637 1.00 44.32 C ATOM 1271 O THR A 78 9.473 3.168 5.548 1.00 23.54 O ATOM 1272 CB THR A 78 11.750 2.069 7.249 1.00 2.12 C ATOM 1273 OG1 THR A 78 12.510 1.973 8.463 1.00 22.12 O ATOM 1274 CG2 THR A 78 12.546 1.451 6.100 1.00 53.55 C ATOM 0 H THR A 78 10.367 3.476 8.804 1.00 10.44 H new ATOM 0 HA THR A 78 12.309 4.133 6.874 1.00 2.32 H new ATOM 0 HB THR A 78 10.816 1.517 7.353 1.00 2.12 H new ATOM 0 HG1 THR A 78 12.730 1.034 8.638 1.00 22.12 H new ATOM 0 HG21 THR A 78 12.779 0.413 6.336 1.00 53.55 H new ATOM 0 HG22 THR A 78 11.955 1.491 5.185 1.00 53.55 H new ATOM 0 HG23 THR A 78 13.472 2.008 5.958 1.00 53.55 H new ATOM 1282 N GLY A 79 11.231 4.208 4.610 1.00 71.04 N ATOM 1283 CA GLY A 79 10.571 4.326 3.316 1.00 13.52 C ATOM 1284 C GLY A 79 11.536 4.364 2.136 1.00 2.01 C ATOM 1285 O GLY A 79 12.747 4.213 2.306 1.00 1.01 O ATOM 0 H GLY A 79 12.172 4.600 4.649 1.00 71.04 H new ATOM 0 HA2 GLY A 79 9.888 3.486 3.189 1.00 13.52 H new ATOM 0 HA3 GLY A 79 9.966 5.233 3.308 1.00 13.52 H new ATOM 1289 N PHE A 80 10.989 4.568 0.939 1.00 34.21 N ATOM 1290 CA PHE A 80 11.779 4.615 -0.300 1.00 64.43 C ATOM 1291 C PHE A 80 11.498 5.911 -1.072 1.00 33.24 C ATOM 1292 O PHE A 80 10.417 6.484 -0.964 1.00 1.10 O ATOM 1293 CB PHE A 80 11.465 3.398 -1.187 1.00 52.33 C ATOM 1294 CG PHE A 80 11.970 2.083 -0.637 1.00 14.52 C ATOM 1295 CD1 PHE A 80 11.335 1.466 0.433 1.00 30.43 C ATOM 1296 CD2 PHE A 80 13.076 1.461 -1.199 1.00 15.53 C ATOM 1297 CE1 PHE A 80 11.794 0.261 0.930 1.00 65.23 C ATOM 1298 CE2 PHE A 80 13.538 0.257 -0.703 1.00 53.21 C ATOM 1299 CZ PHE A 80 12.898 -0.343 0.362 1.00 64.43 C ATOM 0 H PHE A 80 9.989 4.706 0.796 1.00 34.21 H new ATOM 0 HA PHE A 80 12.835 4.590 -0.029 1.00 64.43 H new ATOM 0 HB2 PHE A 80 10.386 3.331 -1.324 1.00 52.33 H new ATOM 0 HB3 PHE A 80 11.902 3.559 -2.173 1.00 52.33 H new ATOM 0 HD1 PHE A 80 10.472 1.934 0.882 1.00 30.43 H new ATOM 0 HD2 PHE A 80 13.582 1.923 -2.034 1.00 15.53 H new ATOM 0 HE1 PHE A 80 11.290 -0.208 1.762 1.00 65.23 H new ATOM 0 HE2 PHE A 80 14.401 -0.215 -1.149 1.00 53.21 H new ATOM 0 HZ PHE A 80 13.260 -1.283 0.751 1.00 64.43 H new ATOM 1309 N SER A 81 12.470 6.360 -1.861 1.00 51.52 N ATOM 1310 CA SER A 81 12.347 7.626 -2.601 1.00 51.20 C ATOM 1311 C SER A 81 11.220 7.579 -3.644 1.00 11.32 C ATOM 1312 O SER A 81 10.698 8.616 -4.050 1.00 42.42 O ATOM 1313 CB SER A 81 13.674 7.982 -3.283 1.00 25.31 C ATOM 1314 OG SER A 81 14.720 8.118 -2.329 1.00 44.33 O ATOM 0 H SER A 81 13.353 5.871 -2.009 1.00 51.52 H new ATOM 0 HA SER A 81 12.095 8.398 -1.874 1.00 51.20 H new ATOM 0 HB2 SER A 81 13.934 7.208 -4.005 1.00 25.31 H new ATOM 0 HB3 SER A 81 13.562 8.912 -3.840 1.00 25.31 H new ATOM 0 HG SER A 81 15.555 8.343 -2.789 1.00 44.33 H new ATOM 1320 N ASN A 82 10.855 6.374 -4.078 1.00 24.33 N ATOM 1321 CA ASN A 82 9.757 6.188 -5.038 1.00 32.31 C ATOM 1322 C ASN A 82 8.636 5.336 -4.429 1.00 12.10 C ATOM 1323 O ASN A 82 8.902 4.303 -3.813 1.00 3.32 O ATOM 1324 CB ASN A 82 10.263 5.498 -6.314 1.00 12.04 C ATOM 1325 CG ASN A 82 11.353 6.268 -7.036 1.00 2.22 C ATOM 1326 OD1 ASN A 82 12.127 7.002 -6.435 1.00 15.42 O ATOM 1327 ND2 ASN A 82 11.434 6.091 -8.338 1.00 20.15 N ATOM 0 H ASN A 82 11.302 5.506 -3.782 1.00 24.33 H new ATOM 0 HA ASN A 82 9.368 7.176 -5.285 1.00 32.31 H new ATOM 0 HB2 ASN A 82 10.640 4.509 -6.055 1.00 12.04 H new ATOM 0 HB3 ASN A 82 9.424 5.351 -6.994 1.00 12.04 H new ATOM 0 HD21 ASN A 82 12.156 6.572 -8.874 1.00 20.15 H new ATOM 0 HD22 ASN A 82 10.775 5.473 -8.811 1.00 20.15 H new ATOM 1334 N ILE A 83 7.383 5.753 -4.621 1.00 11.50 N ATOM 1335 CA ILE A 83 6.228 4.963 -4.170 1.00 4.44 C ATOM 1336 C ILE A 83 6.202 3.567 -4.838 1.00 2.55 C ATOM 1337 O ILE A 83 6.018 2.555 -4.155 1.00 41.35 O ATOM 1338 CB ILE A 83 4.879 5.690 -4.432 1.00 61.41 C ATOM 1339 CG1 ILE A 83 4.847 7.048 -3.710 1.00 23.44 C ATOM 1340 CG2 ILE A 83 3.701 4.817 -3.989 1.00 65.40 C ATOM 1341 CD1 ILE A 83 3.562 7.829 -3.919 1.00 22.21 C ATOM 0 H ILE A 83 7.139 6.629 -5.083 1.00 11.50 H new ATOM 0 HA ILE A 83 6.345 4.841 -3.093 1.00 4.44 H new ATOM 0 HB ILE A 83 4.789 5.869 -5.503 1.00 61.41 H new ATOM 0 HG12 ILE A 83 4.990 6.883 -2.642 1.00 23.44 H new ATOM 0 HG13 ILE A 83 5.687 7.651 -4.055 1.00 23.44 H new ATOM 0 HG21 ILE A 83 2.766 5.343 -4.181 1.00 65.40 H new ATOM 0 HG22 ILE A 83 3.712 3.881 -4.547 1.00 65.40 H new ATOM 0 HG23 ILE A 83 3.786 4.605 -2.923 1.00 65.40 H new ATOM 0 HD11 ILE A 83 3.618 8.774 -3.378 1.00 22.21 H new ATOM 0 HD12 ILE A 83 3.426 8.027 -4.982 1.00 22.21 H new ATOM 0 HD13 ILE A 83 2.718 7.248 -3.547 1.00 22.21 H new ATOM 1353 N PRO A 84 6.392 3.477 -6.183 1.00 2.53 N ATOM 1354 CA PRO A 84 6.489 2.177 -6.873 1.00 61.14 C ATOM 1355 C PRO A 84 7.554 1.257 -6.251 1.00 11.02 C ATOM 1356 O PRO A 84 7.299 0.081 -6.004 1.00 62.40 O ATOM 1357 CB PRO A 84 6.860 2.553 -8.323 1.00 3.11 C ATOM 1358 CG PRO A 84 7.269 3.991 -8.272 1.00 63.21 C ATOM 1359 CD PRO A 84 6.498 4.598 -7.135 1.00 1.15 C ATOM 0 HA PRO A 84 5.560 1.612 -6.801 1.00 61.14 H new ATOM 0 HB2 PRO A 84 7.671 1.927 -8.695 1.00 3.11 H new ATOM 0 HB3 PRO A 84 6.013 2.410 -8.994 1.00 3.11 H new ATOM 0 HG2 PRO A 84 8.343 4.086 -8.111 1.00 63.21 H new ATOM 0 HG3 PRO A 84 7.042 4.495 -9.211 1.00 63.21 H new ATOM 0 HD2 PRO A 84 7.020 5.451 -6.701 1.00 1.15 H new ATOM 0 HD3 PRO A 84 5.518 4.953 -7.454 1.00 1.15 H new ATOM 1367 N GLN A 85 8.739 1.807 -5.981 1.00 41.03 N ATOM 1368 CA GLN A 85 9.836 1.040 -5.370 1.00 55.51 C ATOM 1369 C GLN A 85 9.549 0.711 -3.897 1.00 74.03 C ATOM 1370 O GLN A 85 9.976 -0.327 -3.391 1.00 44.42 O ATOM 1371 CB GLN A 85 11.161 1.803 -5.512 1.00 65.31 C ATOM 1372 CG GLN A 85 11.743 1.754 -6.921 1.00 55.35 C ATOM 1373 CD GLN A 85 12.177 0.350 -7.321 1.00 72.32 C ATOM 1374 OE1 GLN A 85 13.320 -0.041 -7.111 1.00 5.41 O ATOM 1375 NE2 GLN A 85 11.266 -0.425 -7.880 1.00 71.44 N ATOM 0 H GLN A 85 8.968 2.782 -6.175 1.00 41.03 H new ATOM 0 HA GLN A 85 9.918 0.092 -5.902 1.00 55.51 H new ATOM 0 HB2 GLN A 85 11.004 2.844 -5.228 1.00 65.31 H new ATOM 0 HB3 GLN A 85 11.887 1.388 -4.813 1.00 65.31 H new ATOM 0 HG2 GLN A 85 11.000 2.118 -7.631 1.00 55.35 H new ATOM 0 HG3 GLN A 85 12.598 2.427 -6.982 1.00 55.35 H new ATOM 0 HE21 GLN A 85 10.324 -0.070 -8.041 1.00 71.44 H new ATOM 0 HE22 GLN A 85 11.505 -1.379 -8.151 1.00 71.44 H new ATOM 1384 N LEU A 86 8.836 1.600 -3.213 1.00 73.42 N ATOM 1385 CA LEU A 86 8.394 1.354 -1.835 1.00 72.43 C ATOM 1386 C LEU A 86 7.590 0.043 -1.748 1.00 61.01 C ATOM 1387 O LEU A 86 7.954 -0.885 -1.010 1.00 63.25 O ATOM 1388 CB LEU A 86 7.546 2.545 -1.349 1.00 64.44 C ATOM 1389 CG LEU A 86 6.943 2.424 0.063 1.00 61.11 C ATOM 1390 CD1 LEU A 86 8.033 2.291 1.125 1.00 12.22 C ATOM 1391 CD2 LEU A 86 6.045 3.625 0.363 1.00 5.32 C ATOM 0 H LEU A 86 8.548 2.504 -3.589 1.00 73.42 H new ATOM 0 HA LEU A 86 9.268 1.253 -1.192 1.00 72.43 H new ATOM 0 HB2 LEU A 86 8.166 3.441 -1.380 1.00 64.44 H new ATOM 0 HB3 LEU A 86 6.731 2.696 -2.057 1.00 64.44 H new ATOM 0 HG LEU A 86 6.339 1.517 0.093 1.00 61.11 H new ATOM 0 HD11 LEU A 86 7.573 2.208 2.110 1.00 12.22 H new ATOM 0 HD12 LEU A 86 8.628 1.400 0.926 1.00 12.22 H new ATOM 0 HD13 LEU A 86 8.676 3.170 1.098 1.00 12.22 H new ATOM 0 HD21 LEU A 86 5.626 3.525 1.364 1.00 5.32 H new ATOM 0 HD22 LEU A 86 6.632 4.542 0.305 1.00 5.32 H new ATOM 0 HD23 LEU A 86 5.236 3.665 -0.366 1.00 5.32 H new ATOM 1403 N ILE A 87 6.516 -0.037 -2.528 1.00 23.45 N ATOM 1404 CA ILE A 87 5.664 -1.228 -2.564 1.00 42.44 C ATOM 1405 C ILE A 87 6.390 -2.429 -3.199 1.00 75.02 C ATOM 1406 O ILE A 87 6.437 -3.513 -2.613 1.00 0.44 O ATOM 1407 CB ILE A 87 4.353 -0.948 -3.339 1.00 60.41 C ATOM 1408 CG1 ILE A 87 3.579 0.210 -2.684 1.00 31.20 C ATOM 1409 CG2 ILE A 87 3.480 -2.203 -3.419 1.00 43.43 C ATOM 1410 CD1 ILE A 87 3.161 -0.056 -1.249 1.00 75.22 C ATOM 0 H ILE A 87 6.211 0.713 -3.149 1.00 23.45 H new ATOM 0 HA ILE A 87 5.424 -1.477 -1.530 1.00 42.44 H new ATOM 0 HB ILE A 87 4.617 -0.659 -4.356 1.00 60.41 H new ATOM 0 HG12 ILE A 87 4.198 1.107 -2.710 1.00 31.20 H new ATOM 0 HG13 ILE A 87 2.689 0.419 -3.277 1.00 31.20 H new ATOM 0 HG21 ILE A 87 2.566 -1.976 -3.969 1.00 43.43 H new ATOM 0 HG22 ILE A 87 4.026 -2.994 -3.933 1.00 43.43 H new ATOM 0 HG23 ILE A 87 3.225 -2.534 -2.412 1.00 43.43 H new ATOM 0 HD11 ILE A 87 2.621 0.808 -0.861 1.00 75.22 H new ATOM 0 HD12 ILE A 87 2.514 -0.933 -1.215 1.00 75.22 H new ATOM 0 HD13 ILE A 87 4.047 -0.234 -0.639 1.00 75.22 H new ATOM 1422 N ASP A 88 6.971 -2.220 -4.384 1.00 4.24 N ATOM 1423 CA ASP A 88 7.684 -3.283 -5.108 1.00 1.10 C ATOM 1424 C ASP A 88 8.767 -3.946 -4.245 1.00 35.15 C ATOM 1425 O ASP A 88 8.790 -5.168 -4.091 1.00 41.02 O ATOM 1426 CB ASP A 88 8.315 -2.715 -6.388 1.00 15.15 C ATOM 1427 CG ASP A 88 9.205 -3.720 -7.099 1.00 23.41 C ATOM 1428 OD1 ASP A 88 8.670 -4.645 -7.741 1.00 70.31 O ATOM 1429 OD2 ASP A 88 10.448 -3.600 -6.999 1.00 5.43 O ATOM 0 H ASP A 88 6.963 -1.321 -4.866 1.00 4.24 H new ATOM 0 HA ASP A 88 6.952 -4.049 -5.364 1.00 1.10 H new ATOM 0 HB2 ASP A 88 7.524 -2.393 -7.066 1.00 15.15 H new ATOM 0 HB3 ASP A 88 8.901 -1.830 -6.138 1.00 15.15 H new ATOM 1434 N HIS A 89 9.659 -3.141 -3.672 1.00 0.04 N ATOM 1435 CA HIS A 89 10.779 -3.684 -2.900 1.00 70.04 C ATOM 1436 C HIS A 89 10.292 -4.406 -1.633 1.00 22.14 C ATOM 1437 O HIS A 89 10.883 -5.399 -1.221 1.00 10.34 O ATOM 1438 CB HIS A 89 11.794 -2.590 -2.543 1.00 4.22 C ATOM 1439 CG HIS A 89 13.155 -3.136 -2.216 1.00 14.13 C ATOM 1440 ND1 HIS A 89 14.097 -3.419 -3.180 1.00 22.11 N ATOM 1441 CD2 HIS A 89 13.729 -3.467 -1.033 1.00 72.51 C ATOM 1442 CE1 HIS A 89 15.182 -3.898 -2.612 1.00 33.13 C ATOM 1443 NE2 HIS A 89 14.987 -3.937 -1.313 1.00 64.23 N ATOM 0 H HIS A 89 9.631 -2.123 -3.725 1.00 0.04 H new ATOM 0 HA HIS A 89 11.280 -4.417 -3.532 1.00 70.04 H new ATOM 0 HB2 HIS A 89 11.879 -1.894 -3.378 1.00 4.22 H new ATOM 0 HB3 HIS A 89 11.422 -2.021 -1.691 1.00 4.22 H new ATOM 0 HD2 HIS A 89 13.280 -3.377 -0.055 1.00 72.51 H new ATOM 0 HE1 HIS A 89 16.080 -4.207 -3.126 1.00 33.13 H new ATOM 0 HE2 HIS A 89 15.663 -4.264 -0.623 1.00 64.23 H new ATOM 1452 N HIS A 90 9.217 -3.915 -1.013 1.00 0.24 N ATOM 1453 CA HIS A 90 8.610 -4.629 0.124 1.00 51.25 C ATOM 1454 C HIS A 90 7.990 -5.968 -0.317 1.00 62.33 C ATOM 1455 O HIS A 90 8.175 -6.992 0.340 1.00 52.33 O ATOM 1456 CB HIS A 90 7.552 -3.762 0.819 1.00 31.32 C ATOM 1457 CG HIS A 90 8.118 -2.848 1.862 1.00 34.44 C ATOM 1458 ND1 HIS A 90 8.338 -1.506 1.651 1.00 60.34 N ATOM 1459 CD2 HIS A 90 8.503 -3.090 3.137 1.00 44.43 C ATOM 1460 CE1 HIS A 90 8.834 -0.966 2.745 1.00 11.14 C ATOM 1461 NE2 HIS A 90 8.946 -1.903 3.661 1.00 0.02 N ATOM 0 H HIS A 90 8.753 -3.044 -1.268 1.00 0.24 H new ATOM 0 HA HIS A 90 9.409 -4.841 0.835 1.00 51.25 H new ATOM 0 HB2 HIS A 90 7.032 -3.166 0.069 1.00 31.32 H new ATOM 0 HB3 HIS A 90 6.809 -4.411 1.281 1.00 31.32 H new ATOM 0 HD1 HIS A 90 8.147 -1.007 0.782 1.00 60.34 H new ATOM 0 HD2 HIS A 90 8.468 -4.041 3.647 1.00 44.43 H new ATOM 0 HE1 HIS A 90 9.104 0.072 2.869 1.00 11.14 H new ATOM 1470 N TYR A 91 7.269 -5.948 -1.436 1.00 22.43 N ATOM 1471 CA TYR A 91 6.623 -7.152 -1.974 1.00 44.02 C ATOM 1472 C TYR A 91 7.657 -8.223 -2.364 1.00 24.42 C ATOM 1473 O TYR A 91 7.517 -9.398 -2.017 1.00 11.35 O ATOM 1474 CB TYR A 91 5.762 -6.779 -3.192 1.00 3.12 C ATOM 1475 CG TYR A 91 5.060 -7.959 -3.841 1.00 61.32 C ATOM 1476 CD1 TYR A 91 3.846 -8.423 -3.353 1.00 1.12 C ATOM 1477 CD2 TYR A 91 5.613 -8.608 -4.941 1.00 41.44 C ATOM 1478 CE1 TYR A 91 3.204 -9.498 -3.939 1.00 22.55 C ATOM 1479 CE2 TYR A 91 4.977 -9.682 -5.531 1.00 23.21 C ATOM 1480 CZ TYR A 91 3.774 -10.123 -5.027 1.00 24.40 C ATOM 1481 OH TYR A 91 3.134 -11.193 -5.614 1.00 53.20 O ATOM 0 H TYR A 91 7.115 -5.108 -1.993 1.00 22.43 H new ATOM 0 HA TYR A 91 5.989 -7.573 -1.194 1.00 44.02 H new ATOM 0 HB2 TYR A 91 5.013 -6.049 -2.884 1.00 3.12 H new ATOM 0 HB3 TYR A 91 6.394 -6.293 -3.935 1.00 3.12 H new ATOM 0 HD1 TYR A 91 3.395 -7.936 -2.501 1.00 1.12 H new ATOM 0 HD2 TYR A 91 6.556 -8.265 -5.340 1.00 41.44 H new ATOM 0 HE1 TYR A 91 2.260 -9.846 -3.546 1.00 22.55 H new ATOM 0 HE2 TYR A 91 5.421 -10.174 -6.384 1.00 23.21 H new ATOM 0 HH TYR A 91 3.667 -11.519 -6.369 1.00 53.20 H new ATOM 1491 N THR A 92 8.695 -7.803 -3.083 1.00 50.41 N ATOM 1492 CA THR A 92 9.732 -8.719 -3.575 1.00 64.24 C ATOM 1493 C THR A 92 10.614 -9.277 -2.446 1.00 40.23 C ATOM 1494 O THR A 92 11.173 -10.366 -2.574 1.00 41.43 O ATOM 1495 CB THR A 92 10.638 -8.034 -4.627 1.00 1.33 C ATOM 1496 OG1 THR A 92 11.194 -6.823 -4.091 1.00 3.50 O ATOM 1497 CG2 THR A 92 9.857 -7.714 -5.899 1.00 51.35 C ATOM 0 H THR A 92 8.845 -6.828 -3.342 1.00 50.41 H new ATOM 0 HA THR A 92 9.197 -9.550 -4.035 1.00 64.24 H new ATOM 0 HB THR A 92 11.443 -8.726 -4.876 1.00 1.33 H new ATOM 0 HG1 THR A 92 10.496 -6.137 -4.041 1.00 3.50 H new ATOM 0 HG21 THR A 92 10.518 -7.233 -6.620 1.00 51.35 H new ATOM 0 HG22 THR A 92 9.463 -8.636 -6.326 1.00 51.35 H new ATOM 0 HG23 THR A 92 9.032 -7.043 -5.660 1.00 51.35 H new ATOM 1505 N THR A 93 10.749 -8.527 -1.349 1.00 43.43 N ATOM 1506 CA THR A 93 11.518 -9.001 -0.182 1.00 33.25 C ATOM 1507 C THR A 93 10.615 -9.689 0.851 1.00 25.34 C ATOM 1508 O THR A 93 11.106 -10.286 1.812 1.00 40.44 O ATOM 1509 CB THR A 93 12.277 -7.851 0.526 1.00 34.15 C ATOM 1510 OG1 THR A 93 11.348 -6.878 1.032 1.00 73.32 O ATOM 1511 CG2 THR A 93 13.265 -7.180 -0.426 1.00 42.32 C ATOM 0 H THR A 93 10.343 -7.598 -1.239 1.00 43.43 H new ATOM 0 HA THR A 93 12.239 -9.717 -0.577 1.00 33.25 H new ATOM 0 HB THR A 93 12.836 -8.278 1.358 1.00 34.15 H new ATOM 0 HG1 THR A 93 11.066 -6.285 0.304 1.00 73.32 H new ATOM 0 HG21 THR A 93 13.785 -6.376 0.096 1.00 42.32 H new ATOM 0 HG22 THR A 93 13.991 -7.915 -0.775 1.00 42.32 H new ATOM 0 HG23 THR A 93 12.726 -6.769 -1.280 1.00 42.32 H new ATOM 1519 N LYS A 94 9.299 -9.580 0.654 1.00 64.44 N ATOM 1520 CA LYS A 94 8.309 -10.219 1.533 1.00 41.22 C ATOM 1521 C LYS A 94 8.347 -9.619 2.956 1.00 42.25 C ATOM 1522 O LYS A 94 7.951 -10.261 3.932 1.00 31.04 O ATOM 1523 CB LYS A 94 8.548 -11.744 1.574 1.00 4.05 C ATOM 1524 CG LYS A 94 7.332 -12.561 2.008 1.00 4.22 C ATOM 1525 CD LYS A 94 6.201 -12.481 0.982 1.00 21.04 C ATOM 1526 CE LYS A 94 4.985 -13.290 1.413 1.00 61.13 C ATOM 1527 NZ LYS A 94 5.313 -14.724 1.638 1.00 62.13 N ATOM 0 H LYS A 94 8.888 -9.050 -0.114 1.00 64.44 H new ATOM 0 HA LYS A 94 7.316 -10.027 1.126 1.00 41.22 H new ATOM 0 HB2 LYS A 94 8.860 -12.077 0.584 1.00 4.05 H new ATOM 0 HB3 LYS A 94 9.373 -11.952 2.256 1.00 4.05 H new ATOM 0 HG2 LYS A 94 7.624 -13.602 2.147 1.00 4.22 H new ATOM 0 HG3 LYS A 94 6.975 -12.198 2.972 1.00 4.22 H new ATOM 0 HD2 LYS A 94 5.912 -11.439 0.840 1.00 21.04 H new ATOM 0 HD3 LYS A 94 6.558 -12.847 0.019 1.00 21.04 H new ATOM 0 HE2 LYS A 94 4.575 -12.865 2.329 1.00 61.13 H new ATOM 0 HE3 LYS A 94 4.210 -13.212 0.650 1.00 61.13 H new ATOM 0 HZ1 LYS A 94 4.433 -15.271 1.729 1.00 62.13 H new ATOM 0 HZ2 LYS A 94 5.863 -15.085 0.833 1.00 62.13 H new ATOM 0 HZ3 LYS A 94 5.872 -14.820 2.510 1.00 62.13 H new ATOM 1541 N GLN A 95 8.809 -8.373 3.066 1.00 22.25 N ATOM 1542 CA GLN A 95 8.930 -7.696 4.368 1.00 34.45 C ATOM 1543 C GLN A 95 7.640 -6.959 4.767 1.00 21.21 C ATOM 1544 O GLN A 95 6.731 -6.775 3.954 1.00 44.40 O ATOM 1545 CB GLN A 95 10.116 -6.720 4.351 1.00 21.33 C ATOM 1546 CG GLN A 95 11.474 -7.411 4.260 1.00 22.30 C ATOM 1547 CD GLN A 95 11.789 -8.255 5.490 1.00 12.12 C ATOM 1548 OE1 GLN A 95 11.445 -9.431 5.561 1.00 21.21 O ATOM 1549 NE2 GLN A 95 12.450 -7.664 6.468 1.00 41.15 N ATOM 0 H GLN A 95 9.107 -7.807 2.271 1.00 22.25 H new ATOM 0 HA GLN A 95 9.105 -8.468 5.118 1.00 34.45 H new ATOM 0 HB2 GLN A 95 10.005 -6.041 3.505 1.00 21.33 H new ATOM 0 HB3 GLN A 95 10.087 -6.111 5.254 1.00 21.33 H new ATOM 0 HG2 GLN A 95 11.495 -8.046 3.374 1.00 22.30 H new ATOM 0 HG3 GLN A 95 12.252 -6.658 4.132 1.00 22.30 H new ATOM 0 HE21 GLN A 95 12.723 -6.685 6.380 1.00 41.15 H new ATOM 0 HE22 GLN A 95 12.688 -8.186 7.311 1.00 41.15 H new ATOM 1558 N VAL A 96 7.578 -6.530 6.030 1.00 64.45 N ATOM 1559 CA VAL A 96 6.383 -5.875 6.575 1.00 54.41 C ATOM 1560 C VAL A 96 6.263 -4.401 6.144 1.00 25.23 C ATOM 1561 O VAL A 96 7.246 -3.764 5.764 1.00 44.45 O ATOM 1562 CB VAL A 96 6.355 -5.950 8.126 1.00 40.03 C ATOM 1563 CG1 VAL A 96 6.374 -7.402 8.599 1.00 51.31 C ATOM 1564 CG2 VAL A 96 7.514 -5.158 8.734 1.00 72.02 C ATOM 0 H VAL A 96 8.343 -6.624 6.698 1.00 64.45 H new ATOM 0 HA VAL A 96 5.534 -6.421 6.164 1.00 54.41 H new ATOM 0 HB VAL A 96 5.425 -5.496 8.470 1.00 40.03 H new ATOM 0 HG11 VAL A 96 6.354 -7.430 9.688 1.00 51.31 H new ATOM 0 HG12 VAL A 96 5.501 -7.924 8.206 1.00 51.31 H new ATOM 0 HG13 VAL A 96 7.280 -7.890 8.240 1.00 51.31 H new ATOM 0 HG21 VAL A 96 7.471 -5.227 9.821 1.00 72.02 H new ATOM 0 HG22 VAL A 96 8.460 -5.569 8.381 1.00 72.02 H new ATOM 0 HG23 VAL A 96 7.438 -4.113 8.433 1.00 72.02 H new ATOM 1574 N ILE A 97 5.039 -3.876 6.206 1.00 12.42 N ATOM 1575 CA ILE A 97 4.768 -2.466 5.900 1.00 23.12 C ATOM 1576 C ILE A 97 5.057 -1.565 7.114 1.00 72.34 C ATOM 1577 O ILE A 97 5.972 -0.741 7.087 1.00 24.40 O ATOM 1578 CB ILE A 97 3.296 -2.274 5.442 1.00 42.11 C ATOM 1579 CG1 ILE A 97 3.050 -3.021 4.121 1.00 23.33 C ATOM 1580 CG2 ILE A 97 2.951 -0.792 5.293 1.00 65.35 C ATOM 1581 CD1 ILE A 97 3.906 -2.525 2.972 1.00 61.41 C ATOM 0 H ILE A 97 4.210 -4.410 6.468 1.00 12.42 H new ATOM 0 HA ILE A 97 5.434 -2.175 5.087 1.00 23.12 H new ATOM 0 HB ILE A 97 2.644 -2.691 6.210 1.00 42.11 H new ATOM 0 HG12 ILE A 97 3.242 -4.083 4.273 1.00 23.33 H new ATOM 0 HG13 ILE A 97 1.999 -2.923 3.848 1.00 23.33 H new ATOM 0 HG21 ILE A 97 1.914 -0.690 4.971 1.00 65.35 H new ATOM 0 HG22 ILE A 97 3.085 -0.289 6.251 1.00 65.35 H new ATOM 0 HG23 ILE A 97 3.607 -0.338 4.550 1.00 65.35 H new ATOM 0 HD11 ILE A 97 3.677 -3.099 2.074 1.00 61.41 H new ATOM 0 HD12 ILE A 97 3.698 -1.470 2.792 1.00 61.41 H new ATOM 0 HD13 ILE A 97 4.959 -2.649 3.223 1.00 61.41 H new ATOM 1593 N THR A 98 4.259 -1.715 8.174 1.00 50.41 N ATOM 1594 CA THR A 98 4.498 -0.997 9.432 1.00 12.14 C ATOM 1595 C THR A 98 4.718 -1.968 10.594 1.00 1.01 C ATOM 1596 O THR A 98 4.007 -2.969 10.733 1.00 4.22 O ATOM 1597 CB THR A 98 3.339 -0.034 9.804 1.00 31.44 C ATOM 1598 OG1 THR A 98 2.107 -0.755 9.964 1.00 31.44 O ATOM 1599 CG2 THR A 98 3.157 1.052 8.750 1.00 34.15 C ATOM 0 H THR A 98 3.442 -2.326 8.188 1.00 50.41 H new ATOM 0 HA THR A 98 5.398 -0.405 9.265 1.00 12.14 H new ATOM 0 HB THR A 98 3.605 0.439 10.749 1.00 31.44 H new ATOM 0 HG1 THR A 98 1.389 -0.284 9.492 1.00 31.44 H new ATOM 0 HG21 THR A 98 2.337 1.709 9.042 1.00 34.15 H new ATOM 0 HG22 THR A 98 4.075 1.633 8.664 1.00 34.15 H new ATOM 0 HG23 THR A 98 2.928 0.592 7.789 1.00 34.15 H new ATOM 1607 N LYS A 99 5.697 -1.655 11.433 1.00 54.31 N ATOM 1608 CA LYS A 99 6.041 -2.483 12.590 1.00 40.22 C ATOM 1609 C LYS A 99 4.883 -2.530 13.599 1.00 24.14 C ATOM 1610 O LYS A 99 4.703 -3.517 14.316 1.00 32.34 O ATOM 1611 CB LYS A 99 7.306 -1.927 13.260 1.00 34.24 C ATOM 1612 CG LYS A 99 8.469 -1.701 12.294 1.00 74.52 C ATOM 1613 CD LYS A 99 8.926 -2.995 11.621 1.00 74.24 C ATOM 1614 CE LYS A 99 9.507 -3.986 12.622 1.00 35.41 C ATOM 1615 NZ LYS A 99 10.702 -3.436 13.319 1.00 41.41 N ATOM 0 H LYS A 99 6.277 -0.822 11.334 1.00 54.31 H new ATOM 0 HA LYS A 99 6.228 -3.501 12.247 1.00 40.22 H new ATOM 0 HB2 LYS A 99 7.062 -0.983 13.747 1.00 34.24 H new ATOM 0 HB3 LYS A 99 7.624 -2.616 14.042 1.00 34.24 H new ATOM 0 HG2 LYS A 99 8.169 -0.983 11.530 1.00 74.52 H new ATOM 0 HG3 LYS A 99 9.307 -1.260 12.835 1.00 74.52 H new ATOM 0 HD2 LYS A 99 8.082 -3.453 11.106 1.00 74.24 H new ATOM 0 HD3 LYS A 99 9.675 -2.764 10.863 1.00 74.24 H new ATOM 0 HE2 LYS A 99 8.746 -4.247 13.357 1.00 35.41 H new ATOM 0 HE3 LYS A 99 9.780 -4.906 12.105 1.00 35.41 H new ATOM 0 HZ1 LYS A 99 11.195 -4.202 13.820 1.00 41.41 H new ATOM 0 HZ2 LYS A 99 11.345 -3.009 12.622 1.00 41.41 H new ATOM 0 HZ3 LYS A 99 10.402 -2.712 14.003 1.00 41.41 H new ATOM 1629 N LYS A 100 4.099 -1.450 13.639 1.00 41.52 N ATOM 1630 CA LYS A 100 2.922 -1.363 14.518 1.00 32.53 C ATOM 1631 C LYS A 100 1.928 -2.509 14.251 1.00 75.44 C ATOM 1632 O LYS A 100 1.304 -3.033 15.173 1.00 74.54 O ATOM 1633 CB LYS A 100 2.201 -0.012 14.330 1.00 32.05 C ATOM 1634 CG LYS A 100 2.844 1.196 15.030 1.00 45.15 C ATOM 1635 CD LYS A 100 4.204 1.590 14.445 1.00 41.34 C ATOM 1636 CE LYS A 100 5.369 0.913 15.164 1.00 43.45 C ATOM 1637 NZ LYS A 100 5.448 1.307 16.595 1.00 13.22 N ATOM 0 H LYS A 100 4.256 -0.618 13.071 1.00 41.52 H new ATOM 0 HA LYS A 100 3.281 -1.446 15.544 1.00 32.53 H new ATOM 0 HB2 LYS A 100 2.142 0.201 13.263 1.00 32.05 H new ATOM 0 HB3 LYS A 100 1.178 -0.115 14.692 1.00 32.05 H new ATOM 0 HG2 LYS A 100 2.168 2.048 14.961 1.00 45.15 H new ATOM 0 HG3 LYS A 100 2.965 0.970 16.089 1.00 45.15 H new ATOM 0 HD2 LYS A 100 4.231 1.326 13.388 1.00 41.34 H new ATOM 0 HD3 LYS A 100 4.323 2.672 14.507 1.00 41.34 H new ATOM 0 HE2 LYS A 100 5.259 -0.169 15.092 1.00 43.45 H new ATOM 0 HE3 LYS A 100 6.303 1.173 14.665 1.00 43.45 H new ATOM 0 HZ1 LYS A 100 6.432 1.228 16.923 1.00 13.22 H new ATOM 0 HZ2 LYS A 100 5.125 2.290 16.703 1.00 13.22 H new ATOM 0 HZ3 LYS A 100 4.843 0.679 17.162 1.00 13.22 H new ATOM 1651 N SER A 101 1.793 -2.895 12.982 1.00 1.12 N ATOM 1652 CA SER A 101 0.798 -3.901 12.572 1.00 70.25 C ATOM 1653 C SER A 101 1.444 -5.259 12.258 1.00 12.11 C ATOM 1654 O SER A 101 1.031 -6.293 12.791 1.00 31.32 O ATOM 1655 CB SER A 101 0.036 -3.409 11.335 1.00 0.31 C ATOM 1656 OG SER A 101 0.912 -3.245 10.228 1.00 63.43 O ATOM 0 H SER A 101 2.358 -2.529 12.216 1.00 1.12 H new ATOM 0 HA SER A 101 0.113 -4.038 13.409 1.00 70.25 H new ATOM 0 HB2 SER A 101 -0.749 -4.121 11.080 1.00 0.31 H new ATOM 0 HB3 SER A 101 -0.454 -2.461 11.559 1.00 0.31 H new ATOM 0 HG SER A 101 1.275 -2.335 10.230 1.00 63.43 H new ATOM 1662 N GLY A 102 2.449 -5.251 11.385 1.00 62.03 N ATOM 1663 CA GLY A 102 3.084 -6.492 10.946 1.00 64.25 C ATOM 1664 C GLY A 102 2.462 -7.050 9.668 1.00 24.02 C ATOM 1665 O GLY A 102 2.281 -8.263 9.525 1.00 24.24 O ATOM 0 H GLY A 102 2.839 -4.405 10.970 1.00 62.03 H new ATOM 0 HA2 GLY A 102 4.146 -6.313 10.781 1.00 64.25 H new ATOM 0 HA3 GLY A 102 3.006 -7.236 11.739 1.00 64.25 H new ATOM 1669 N VAL A 103 2.127 -6.159 8.739 1.00 11.11 N ATOM 1670 CA VAL A 103 1.494 -6.548 7.471 1.00 4.51 C ATOM 1671 C VAL A 103 2.527 -6.895 6.388 1.00 51.13 C ATOM 1672 O VAL A 103 3.417 -6.103 6.097 1.00 21.00 O ATOM 1673 CB VAL A 103 0.581 -5.421 6.932 1.00 1.15 C ATOM 1674 CG1 VAL A 103 -0.113 -5.863 5.648 1.00 52.32 C ATOM 1675 CG2 VAL A 103 -0.439 -4.995 7.989 1.00 22.34 C ATOM 0 H VAL A 103 2.282 -5.156 8.837 1.00 11.11 H new ATOM 0 HA VAL A 103 0.901 -7.435 7.691 1.00 4.51 H new ATOM 0 HB VAL A 103 1.203 -4.556 6.701 1.00 1.15 H new ATOM 0 HG11 VAL A 103 -0.751 -5.058 5.283 1.00 52.32 H new ATOM 0 HG12 VAL A 103 0.636 -6.102 4.893 1.00 52.32 H new ATOM 0 HG13 VAL A 103 -0.721 -6.745 5.848 1.00 52.32 H new ATOM 0 HG21 VAL A 103 -1.070 -4.202 7.587 1.00 22.34 H new ATOM 0 HG22 VAL A 103 -1.059 -5.849 8.261 1.00 22.34 H new ATOM 0 HG23 VAL A 103 0.084 -4.630 8.873 1.00 22.34 H new ATOM 1685 N VAL A 104 2.390 -8.077 5.789 1.00 22.14 N ATOM 1686 CA VAL A 104 3.266 -8.505 4.689 1.00 62.13 C ATOM 1687 C VAL A 104 2.532 -8.410 3.336 1.00 61.23 C ATOM 1688 O VAL A 104 1.323 -8.624 3.263 1.00 72.35 O ATOM 1689 CB VAL A 104 3.760 -9.959 4.911 1.00 23.51 C ATOM 1690 CG1 VAL A 104 4.693 -10.403 3.784 1.00 33.43 C ATOM 1691 CG2 VAL A 104 4.448 -10.091 6.269 1.00 54.21 C ATOM 0 H VAL A 104 1.678 -8.761 6.046 1.00 22.14 H new ATOM 0 HA VAL A 104 4.127 -7.837 4.673 1.00 62.13 H new ATOM 0 HB VAL A 104 2.890 -10.616 4.901 1.00 23.51 H new ATOM 0 HG11 VAL A 104 5.023 -11.426 3.967 1.00 33.43 H new ATOM 0 HG12 VAL A 104 4.162 -10.357 2.833 1.00 33.43 H new ATOM 0 HG13 VAL A 104 5.560 -9.743 3.748 1.00 33.43 H new ATOM 0 HG21 VAL A 104 4.788 -11.118 6.407 1.00 54.21 H new ATOM 0 HG22 VAL A 104 5.304 -9.417 6.310 1.00 54.21 H new ATOM 0 HG23 VAL A 104 3.744 -9.833 7.060 1.00 54.21 H new ATOM 1701 N LEU A 105 3.268 -8.091 2.268 1.00 44.12 N ATOM 1702 CA LEU A 105 2.667 -7.946 0.932 1.00 44.33 C ATOM 1703 C LEU A 105 2.713 -9.259 0.133 1.00 44.42 C ATOM 1704 O LEU A 105 3.791 -9.763 -0.197 1.00 63.52 O ATOM 1705 CB LEU A 105 3.382 -6.840 0.140 1.00 5.02 C ATOM 1706 CG LEU A 105 3.309 -5.433 0.748 1.00 63.44 C ATOM 1707 CD1 LEU A 105 3.988 -4.416 -0.168 1.00 2.13 C ATOM 1708 CD2 LEU A 105 1.860 -5.032 1.018 1.00 13.32 C ATOM 0 H LEU A 105 4.275 -7.928 2.298 1.00 44.12 H new ATOM 0 HA LEU A 105 1.621 -7.677 1.080 1.00 44.33 H new ATOM 0 HB2 LEU A 105 4.431 -7.116 0.033 1.00 5.02 H new ATOM 0 HB3 LEU A 105 2.958 -6.805 -0.863 1.00 5.02 H new ATOM 0 HG LEU A 105 3.840 -5.446 1.700 1.00 63.44 H new ATOM 0 HD11 LEU A 105 3.926 -3.424 0.280 1.00 2.13 H new ATOM 0 HD12 LEU A 105 5.035 -4.689 -0.302 1.00 2.13 H new ATOM 0 HD13 LEU A 105 3.488 -4.408 -1.137 1.00 2.13 H new ATOM 0 HD21 LEU A 105 1.834 -4.031 1.449 1.00 13.32 H new ATOM 0 HD22 LEU A 105 1.300 -5.039 0.083 1.00 13.32 H new ATOM 0 HD23 LEU A 105 1.411 -5.739 1.715 1.00 13.32 H new ATOM 1720 N LEU A 106 1.537 -9.809 -0.165 1.00 34.53 N ATOM 1721 CA LEU A 106 1.415 -11.001 -1.017 1.00 44.22 C ATOM 1722 C LEU A 106 0.171 -10.905 -1.921 1.00 3.41 C ATOM 1723 O LEU A 106 -0.699 -10.071 -1.690 1.00 5.40 O ATOM 1724 CB LEU A 106 1.378 -12.295 -0.175 1.00 11.11 C ATOM 1725 CG LEU A 106 0.270 -12.395 0.893 1.00 31.20 C ATOM 1726 CD1 LEU A 106 0.140 -13.834 1.392 1.00 64.24 C ATOM 1727 CD2 LEU A 106 0.549 -11.462 2.070 1.00 72.01 C ATOM 0 H LEU A 106 0.645 -9.447 0.172 1.00 34.53 H new ATOM 0 HA LEU A 106 2.299 -11.042 -1.653 1.00 44.22 H new ATOM 0 HB2 LEU A 106 1.273 -13.140 -0.855 1.00 11.11 H new ATOM 0 HB3 LEU A 106 2.341 -12.405 0.323 1.00 11.11 H new ATOM 0 HG LEU A 106 -0.668 -12.090 0.428 1.00 31.20 H new ATOM 0 HD11 LEU A 106 -0.646 -13.888 2.145 1.00 64.24 H new ATOM 0 HD12 LEU A 106 -0.112 -14.487 0.557 1.00 64.24 H new ATOM 0 HD13 LEU A 106 1.085 -14.154 1.830 1.00 64.24 H new ATOM 0 HD21 LEU A 106 -0.250 -11.556 2.806 1.00 72.01 H new ATOM 0 HD22 LEU A 106 1.500 -11.731 2.530 1.00 72.01 H new ATOM 0 HD23 LEU A 106 0.596 -10.433 1.715 1.00 72.01 H new ATOM 1739 N ASN A 107 0.110 -11.774 -2.943 1.00 21.21 N ATOM 1740 CA ASN A 107 -0.970 -11.786 -3.963 1.00 54.11 C ATOM 1741 C ASN A 107 -1.595 -10.395 -4.247 1.00 65.22 C ATOM 1742 O ASN A 107 -2.623 -10.026 -3.683 1.00 72.43 O ATOM 1743 CB ASN A 107 -2.050 -12.851 -3.637 1.00 72.31 C ATOM 1744 CG ASN A 107 -2.593 -12.833 -2.206 1.00 22.51 C ATOM 1745 OD1 ASN A 107 -2.885 -13.882 -1.642 1.00 1.22 O ATOM 1746 ND2 ASN A 107 -2.771 -11.673 -1.613 1.00 33.42 N ATOM 0 H ASN A 107 0.813 -12.498 -3.093 1.00 21.21 H new ATOM 0 HA ASN A 107 -0.484 -12.071 -4.896 1.00 54.11 H new ATOM 0 HB2 ASN A 107 -2.885 -12.716 -4.324 1.00 72.31 H new ATOM 0 HB3 ASN A 107 -1.631 -13.838 -3.834 1.00 72.31 H new ATOM 0 HD21 ASN A 107 -3.157 -11.636 -0.670 1.00 33.42 H new ATOM 0 HD22 ASN A 107 -2.523 -10.810 -2.096 1.00 33.42 H new ATOM 1753 N PRO A 108 -0.982 -9.610 -5.155 1.00 42.24 N ATOM 1754 CA PRO A 108 -1.446 -8.243 -5.466 1.00 53.22 C ATOM 1755 C PRO A 108 -2.801 -8.210 -6.193 1.00 71.30 C ATOM 1756 O PRO A 108 -3.166 -9.153 -6.903 1.00 71.23 O ATOM 1757 CB PRO A 108 -0.335 -7.692 -6.371 1.00 73.14 C ATOM 1758 CG PRO A 108 0.269 -8.902 -7.003 1.00 54.00 C ATOM 1759 CD PRO A 108 0.194 -9.989 -5.963 1.00 11.15 C ATOM 0 HA PRO A 108 -1.613 -7.662 -4.559 1.00 53.22 H new ATOM 0 HB2 PRO A 108 -0.736 -7.011 -7.122 1.00 73.14 H new ATOM 0 HB3 PRO A 108 0.404 -7.134 -5.797 1.00 73.14 H new ATOM 0 HG2 PRO A 108 -0.275 -9.185 -7.904 1.00 54.00 H new ATOM 0 HG3 PRO A 108 1.301 -8.715 -7.299 1.00 54.00 H new ATOM 0 HD2 PRO A 108 0.069 -10.972 -6.418 1.00 11.15 H new ATOM 0 HD3 PRO A 108 1.100 -10.030 -5.359 1.00 11.15 H new ATOM 1767 N ILE A 109 -3.548 -7.121 -6.001 1.00 33.33 N ATOM 1768 CA ILE A 109 -4.826 -6.922 -6.692 1.00 21.44 C ATOM 1769 C ILE A 109 -4.678 -5.892 -7.823 1.00 23.41 C ATOM 1770 O ILE A 109 -4.483 -4.705 -7.564 1.00 22.40 O ATOM 1771 CB ILE A 109 -5.934 -6.452 -5.710 1.00 4.25 C ATOM 1772 CG1 ILE A 109 -6.127 -7.485 -4.586 1.00 72.44 C ATOM 1773 CG2 ILE A 109 -7.250 -6.207 -6.451 1.00 31.22 C ATOM 1774 CD1 ILE A 109 -6.529 -8.863 -5.075 1.00 60.04 C ATOM 0 H ILE A 109 -3.290 -6.361 -5.371 1.00 33.33 H new ATOM 0 HA ILE A 109 -5.118 -7.883 -7.114 1.00 21.44 H new ATOM 0 HB ILE A 109 -5.619 -5.509 -5.263 1.00 4.25 H new ATOM 0 HG12 ILE A 109 -5.199 -7.568 -4.020 1.00 72.44 H new ATOM 0 HG13 ILE A 109 -6.888 -7.119 -3.897 1.00 72.44 H new ATOM 0 HG21 ILE A 109 -8.011 -5.879 -5.743 1.00 31.22 H new ATOM 0 HG22 ILE A 109 -7.103 -5.437 -7.209 1.00 31.22 H new ATOM 0 HG23 ILE A 109 -7.575 -7.130 -6.930 1.00 31.22 H new ATOM 0 HD11 ILE A 109 -6.645 -9.532 -4.222 1.00 60.04 H new ATOM 0 HD12 ILE A 109 -7.473 -8.796 -5.615 1.00 60.04 H new ATOM 0 HD13 ILE A 109 -5.758 -9.253 -5.740 1.00 60.04 H new ATOM 1786 N PRO A 110 -4.764 -6.333 -9.093 1.00 70.31 N ATOM 1787 CA PRO A 110 -4.597 -5.443 -10.256 1.00 24.32 C ATOM 1788 C PRO A 110 -5.825 -4.557 -10.543 1.00 12.22 C ATOM 1789 O PRO A 110 -6.850 -4.643 -9.861 1.00 24.13 O ATOM 1790 CB PRO A 110 -4.366 -6.430 -11.404 1.00 30.01 C ATOM 1791 CG PRO A 110 -5.126 -7.651 -11.004 1.00 44.42 C ATOM 1792 CD PRO A 110 -5.015 -7.733 -9.501 1.00 62.33 C ATOM 0 HA PRO A 110 -3.790 -4.727 -10.100 1.00 24.32 H new ATOM 0 HB2 PRO A 110 -4.728 -6.029 -12.351 1.00 30.01 H new ATOM 0 HB3 PRO A 110 -3.306 -6.647 -11.534 1.00 30.01 H new ATOM 0 HG2 PRO A 110 -6.168 -7.582 -11.316 1.00 44.42 H new ATOM 0 HG3 PRO A 110 -4.711 -8.542 -11.476 1.00 44.42 H new ATOM 0 HD2 PRO A 110 -5.928 -8.124 -9.052 1.00 62.33 H new ATOM 0 HD3 PRO A 110 -4.202 -8.392 -9.194 1.00 62.33 H new