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 68 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 71 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Set 2.1: A 36 GLN : amide:sc= 0.346 K(o=1.8,f=1.1) USER MOD Set 2.2: A 57 SER OG : rot -76:sc= 1.44 USER MOD Set 3.1: A 54 SER OG : rot -140:sc= -0.116 USER MOD Set 3.2: A 63 HIS : no HE2:sc= -0.783 X(o=-0.9,f=-0.55!) USER MOD Set 4.1: A 35 LYS NZ :NH3+ -111:sc= -1.55 (180deg=0.126) USER MOD Set 4.2: A 107 ASN : amide:sc= -2.93 K(o=-4.5,f=-1.3) USER MOD Single : A 17 GLN : amide:sc= -0.035 X(o=-0.035,f=-0.36) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0536 USER MOD Single : A 21 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -160:sc= -0.892! (180deg=-3.24!) USER MOD Single : A 44 SER OG : rot 83:sc= 0.027 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.306 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.935 K(o=-0.93,f=-2.1) USER MOD Single : A 72 MET CE :methyl -163:sc= -0.082 (180deg=-0.498) 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 85 GLN : amide:sc= -0.735 X(o=-0.74,f=-0.24) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HE2:sc= 0.567 K(o=0.62,f=-2.9!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.831 USER MOD Single : A 93 THR OG1 : rot -80:sc= 0.305 USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= -0.0413 (180deg=-0.21) USER MOD Single : A 95 GLN : amide:sc= -0.619 K(o=-0.62,f=-1.3) USER MOD Single : A 98 THR OG1 : rot -137:sc= 0.918 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 110:sc= -0.843 USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 5.625 3.798 -14.316 1.00 62.11 N ATOM 204 CA PRO A 13 5.177 4.831 -13.364 1.00 33.51 C ATOM 205 C PRO A 13 3.998 4.354 -12.493 1.00 52.11 C ATOM 206 O PRO A 13 3.432 3.281 -12.722 1.00 5.51 O ATOM 207 CB PRO A 13 4.762 5.998 -14.273 1.00 40.31 C ATOM 208 CG PRO A 13 4.446 5.367 -15.585 1.00 72.32 C ATOM 209 CD PRO A 13 5.387 4.197 -15.715 1.00 32.11 C ATOM 0 HA PRO A 13 5.955 5.097 -12.649 1.00 33.51 H new ATOM 0 HB2 PRO A 13 3.897 6.525 -13.870 1.00 40.31 H new ATOM 0 HB3 PRO A 13 5.565 6.729 -14.369 1.00 40.31 H new ATOM 0 HG2 PRO A 13 3.407 5.039 -15.621 1.00 72.32 H new ATOM 0 HG3 PRO A 13 4.586 6.074 -16.403 1.00 72.32 H new ATOM 0 HD2 PRO A 13 4.944 3.387 -16.295 1.00 32.11 H new ATOM 0 HD3 PRO A 13 6.313 4.479 -16.216 1.00 32.11 H new ATOM 217 N LEU A 14 3.627 5.160 -11.501 1.00 30.02 N ATOM 218 CA LEU A 14 2.585 4.781 -10.537 1.00 3.41 C ATOM 219 C LEU A 14 1.260 4.385 -11.219 1.00 52.41 C ATOM 220 O LEU A 14 0.643 3.385 -10.852 1.00 71.10 O ATOM 221 CB LEU A 14 2.346 5.930 -9.549 1.00 11.41 C ATOM 222 CG LEU A 14 1.321 5.648 -8.439 1.00 52.23 C ATOM 223 CD1 LEU A 14 1.730 4.426 -7.616 1.00 54.42 C ATOM 224 CD2 LEU A 14 1.149 6.873 -7.546 1.00 40.04 C ATOM 0 H LEU A 14 4.031 6.083 -11.340 1.00 30.02 H new ATOM 0 HA LEU A 14 2.944 3.901 -10.004 1.00 3.41 H new ATOM 0 HB2 LEU A 14 3.297 6.189 -9.084 1.00 11.41 H new ATOM 0 HB3 LEU A 14 2.017 6.805 -10.109 1.00 11.41 H new ATOM 0 HG LEU A 14 0.362 5.429 -8.908 1.00 52.23 H new ATOM 0 HD11 LEU A 14 0.989 4.247 -6.837 1.00 54.42 H new ATOM 0 HD12 LEU A 14 1.791 3.553 -8.266 1.00 54.42 H new ATOM 0 HD13 LEU A 14 2.702 4.605 -7.157 1.00 54.42 H new ATOM 0 HD21 LEU A 14 0.420 6.655 -6.766 1.00 40.04 H new ATOM 0 HD22 LEU A 14 2.105 7.127 -7.088 1.00 40.04 H new ATOM 0 HD23 LEU A 14 0.799 7.714 -8.145 1.00 40.04 H new ATOM 236 N ALA A 15 0.838 5.156 -12.219 1.00 41.02 N ATOM 237 CA ALA A 15 -0.437 4.899 -12.911 1.00 42.34 C ATOM 238 C ALA A 15 -0.449 3.553 -13.667 1.00 53.45 C ATOM 239 O ALA A 15 -1.516 3.032 -14.002 1.00 54.22 O ATOM 240 CB ALA A 15 -0.746 6.040 -13.869 1.00 45.23 C ATOM 0 H ALA A 15 1.353 5.962 -12.572 1.00 41.02 H new ATOM 0 HA ALA A 15 -1.209 4.837 -12.144 1.00 42.34 H new ATOM 0 HB1 ALA A 15 -1.690 5.843 -14.377 1.00 45.23 H new ATOM 0 HB2 ALA A 15 -0.822 6.973 -13.311 1.00 45.23 H new ATOM 0 HB3 ALA A 15 0.052 6.122 -14.606 1.00 45.23 H new ATOM 246 N GLU A 16 0.733 2.999 -13.935 1.00 50.41 N ATOM 247 CA GLU A 16 0.855 1.722 -14.659 1.00 55.45 C ATOM 248 C GLU A 16 0.924 0.520 -13.699 1.00 31.53 C ATOM 249 O GLU A 16 0.938 -0.637 -14.136 1.00 41.54 O ATOM 250 CB GLU A 16 2.106 1.741 -15.547 1.00 30.54 C ATOM 251 CG GLU A 16 2.061 2.767 -16.674 1.00 23.43 C ATOM 252 CD GLU A 16 0.996 2.455 -17.713 1.00 52.12 C ATOM 253 OE1 GLU A 16 1.184 1.496 -18.491 1.00 52.20 O ATOM 254 OE2 GLU A 16 -0.024 3.169 -17.766 1.00 71.30 O ATOM 0 H GLU A 16 1.625 3.411 -13.663 1.00 50.41 H new ATOM 0 HA GLU A 16 -0.037 1.609 -15.275 1.00 55.45 H new ATOM 0 HB2 GLU A 16 2.977 1.942 -14.923 1.00 30.54 H new ATOM 0 HB3 GLU A 16 2.245 0.750 -15.979 1.00 30.54 H new ATOM 0 HG2 GLU A 16 1.873 3.755 -16.253 1.00 23.43 H new ATOM 0 HG3 GLU A 16 3.036 2.808 -17.160 1.00 23.43 H new ATOM 261 N GLN A 17 0.975 0.797 -12.400 1.00 65.23 N ATOM 262 CA GLN A 17 1.071 -0.258 -11.384 1.00 45.31 C ATOM 263 C GLN A 17 -0.290 -0.929 -11.149 1.00 52.35 C ATOM 264 O GLN A 17 -1.277 -0.263 -10.846 1.00 61.15 O ATOM 265 CB GLN A 17 1.610 0.328 -10.072 1.00 64.53 C ATOM 266 CG GLN A 17 2.988 0.968 -10.210 1.00 2.25 C ATOM 267 CD GLN A 17 4.076 -0.029 -10.591 1.00 20.21 C ATOM 268 OE1 GLN A 17 4.033 -1.196 -10.210 1.00 3.52 O ATOM 269 NE2 GLN A 17 5.058 0.419 -11.350 1.00 64.11 N ATOM 0 H GLN A 17 0.952 1.743 -12.020 1.00 65.23 H new ATOM 0 HA GLN A 17 1.761 -1.020 -11.747 1.00 45.31 H new ATOM 0 HB2 GLN A 17 0.907 1.074 -9.701 1.00 64.53 H new ATOM 0 HB3 GLN A 17 1.659 -0.463 -9.324 1.00 64.53 H new ATOM 0 HG2 GLN A 17 2.943 1.753 -10.965 1.00 2.25 H new ATOM 0 HG3 GLN A 17 3.256 1.446 -9.268 1.00 2.25 H new ATOM 0 HE21 GLN A 17 5.066 1.394 -11.651 1.00 64.11 H new ATOM 0 HE22 GLN A 17 5.809 -0.209 -11.636 1.00 64.11 H new ATOM 278 N ASP A 18 -0.329 -2.255 -11.273 1.00 75.31 N ATOM 279 CA ASP A 18 -1.585 -3.009 -11.162 1.00 65.41 C ATOM 280 C ASP A 18 -2.190 -2.940 -9.746 1.00 52.33 C ATOM 281 O ASP A 18 -3.405 -3.046 -9.575 1.00 31.43 O ATOM 282 CB ASP A 18 -1.359 -4.463 -11.584 1.00 75.55 C ATOM 283 CG ASP A 18 -0.995 -4.581 -13.053 1.00 43.41 C ATOM 284 OD1 ASP A 18 -1.916 -4.593 -13.898 1.00 23.21 O ATOM 285 OD2 ASP A 18 0.211 -4.667 -13.372 1.00 45.32 O ATOM 0 H ASP A 18 0.493 -2.833 -11.450 1.00 75.31 H new ATOM 0 HA ASP A 18 -2.307 -2.545 -11.834 1.00 65.41 H new ATOM 0 HB2 ASP A 18 -0.564 -4.897 -10.978 1.00 75.55 H new ATOM 0 HB3 ASP A 18 -2.261 -5.042 -11.387 1.00 75.55 H new ATOM 290 N TRP A 19 -1.343 -2.762 -8.738 1.00 33.53 N ATOM 291 CA TRP A 19 -1.815 -2.622 -7.351 1.00 42.24 C ATOM 292 C TRP A 19 -2.308 -1.192 -7.054 1.00 14.13 C ATOM 293 O TRP A 19 -2.848 -0.916 -5.981 1.00 62.10 O ATOM 294 CB TRP A 19 -0.712 -3.041 -6.362 1.00 71.31 C ATOM 295 CG TRP A 19 0.658 -2.520 -6.697 1.00 60.51 C ATOM 296 CD1 TRP A 19 1.661 -3.203 -7.330 1.00 3.21 C ATOM 297 CD2 TRP A 19 1.181 -1.210 -6.423 1.00 40.33 C ATOM 298 NE1 TRP A 19 2.767 -2.404 -7.462 1.00 73.33 N ATOM 299 CE2 TRP A 19 2.499 -1.179 -6.915 1.00 65.42 C ATOM 300 CE3 TRP A 19 0.663 -0.061 -5.815 1.00 30.14 C ATOM 301 CZ2 TRP A 19 3.306 -0.048 -6.811 1.00 54.31 C ATOM 302 CZ3 TRP A 19 1.465 1.060 -5.713 1.00 22.34 C ATOM 303 CH2 TRP A 19 2.772 1.060 -6.211 1.00 24.24 C ATOM 0 H TRP A 19 -0.330 -2.710 -8.847 1.00 33.53 H new ATOM 0 HA TRP A 19 -2.668 -3.288 -7.223 1.00 42.24 H new ATOM 0 HB2 TRP A 19 -0.985 -2.694 -5.365 1.00 71.31 H new ATOM 0 HB3 TRP A 19 -0.673 -4.130 -6.321 1.00 71.31 H new ATOM 0 HD1 TRP A 19 1.591 -4.224 -7.676 1.00 3.21 H new ATOM 0 HE1 TRP A 19 3.648 -2.678 -7.898 1.00 73.33 H new ATOM 0 HE3 TRP A 19 -0.347 -0.050 -5.432 1.00 30.14 H new ATOM 0 HZ2 TRP A 19 4.317 -0.046 -7.190 1.00 54.31 H new ATOM 0 HZ3 TRP A 19 1.076 1.950 -5.241 1.00 22.34 H new ATOM 0 HH2 TRP A 19 3.372 1.953 -6.120 1.00 24.24 H new ATOM 314 N TYR A 20 -2.135 -0.288 -8.016 1.00 60.34 N ATOM 315 CA TYR A 20 -2.602 1.096 -7.884 1.00 64.10 C ATOM 316 C TYR A 20 -3.971 1.276 -8.564 1.00 70.22 C ATOM 317 O TYR A 20 -4.126 0.998 -9.750 1.00 31.02 O ATOM 318 CB TYR A 20 -1.568 2.052 -8.494 1.00 63.00 C ATOM 319 CG TYR A 20 -2.008 3.502 -8.504 1.00 74.00 C ATOM 320 CD1 TYR A 20 -2.068 4.240 -7.328 1.00 14.44 C ATOM 321 CD2 TYR A 20 -2.371 4.130 -9.693 1.00 2.11 C ATOM 322 CE1 TYR A 20 -2.476 5.556 -7.335 1.00 44.43 C ATOM 323 CE2 TYR A 20 -2.781 5.447 -9.705 1.00 71.41 C ATOM 324 CZ TYR A 20 -2.831 6.156 -8.525 1.00 73.14 C ATOM 325 OH TYR A 20 -3.247 7.465 -8.533 1.00 34.43 O ATOM 0 H TYR A 20 -1.672 -0.488 -8.902 1.00 60.34 H new ATOM 0 HA TYR A 20 -2.719 1.328 -6.825 1.00 64.10 H new ATOM 0 HB2 TYR A 20 -0.636 1.969 -7.935 1.00 63.00 H new ATOM 0 HB3 TYR A 20 -1.356 1.739 -9.516 1.00 63.00 H new ATOM 0 HD1 TYR A 20 -1.790 3.775 -6.394 1.00 14.44 H new ATOM 0 HD2 TYR A 20 -2.331 3.577 -10.620 1.00 2.11 H new ATOM 0 HE1 TYR A 20 -2.518 6.116 -6.412 1.00 44.43 H new ATOM 0 HE2 TYR A 20 -3.061 5.920 -10.635 1.00 71.41 H new ATOM 0 HH TYR A 20 -3.459 7.735 -9.451 1.00 34.43 H new ATOM 335 N HIS A 21 -4.970 1.740 -7.810 1.00 11.14 N ATOM 336 CA HIS A 21 -6.339 1.876 -8.341 1.00 24.21 C ATOM 337 C HIS A 21 -6.839 3.335 -8.356 1.00 53.12 C ATOM 338 O HIS A 21 -8.034 3.581 -8.523 1.00 2.30 O ATOM 339 CB HIS A 21 -7.300 0.991 -7.535 1.00 62.32 C ATOM 340 CG HIS A 21 -7.103 -0.481 -7.771 1.00 73.22 C ATOM 341 ND1 HIS A 21 -8.036 -1.273 -8.405 1.00 42.54 N ATOM 342 CD2 HIS A 21 -6.072 -1.304 -7.459 1.00 4.35 C ATOM 343 CE1 HIS A 21 -7.592 -2.511 -8.470 1.00 25.31 C ATOM 344 NE2 HIS A 21 -6.403 -2.560 -7.904 1.00 71.32 N ATOM 0 H HIS A 21 -4.864 2.027 -6.837 1.00 11.14 H new ATOM 0 HA HIS A 21 -6.313 1.547 -9.380 1.00 24.21 H new ATOM 0 HB2 HIS A 21 -7.170 1.201 -6.473 1.00 62.32 H new ATOM 0 HB3 HIS A 21 -8.326 1.257 -7.789 1.00 62.32 H new ATOM 0 HD2 HIS A 21 -5.159 -1.024 -6.954 1.00 4.35 H new ATOM 0 HE1 HIS A 21 -8.115 -3.346 -8.913 1.00 25.31 H new ATOM 0 HE2 HIS A 21 -5.824 -3.394 -7.812 1.00 71.32 H new ATOM 353 N GLY A 22 -5.926 4.290 -8.201 1.00 74.02 N ATOM 354 CA GLY A 22 -6.292 5.706 -8.284 1.00 52.12 C ATOM 355 C GLY A 22 -6.930 6.263 -7.011 1.00 72.42 C ATOM 356 O GLY A 22 -6.942 5.608 -5.966 1.00 21.11 O ATOM 0 H GLY A 22 -4.938 4.115 -8.019 1.00 74.02 H new ATOM 0 HA2 GLY A 22 -5.399 6.288 -8.514 1.00 52.12 H new ATOM 0 HA3 GLY A 22 -6.985 5.843 -9.114 1.00 52.12 H new ATOM 360 N ALA A 23 -7.447 7.488 -7.095 1.00 63.24 N ATOM 361 CA ALA A 23 -8.110 8.133 -5.954 1.00 44.31 C ATOM 362 C ALA A 23 -9.550 7.631 -5.767 1.00 14.35 C ATOM 363 O ALA A 23 -10.510 8.267 -6.209 1.00 51.04 O ATOM 364 CB ALA A 23 -8.089 9.652 -6.115 1.00 44.20 C ATOM 0 H ALA A 23 -7.421 8.057 -7.941 1.00 63.24 H new ATOM 0 HA ALA A 23 -7.553 7.863 -5.057 1.00 44.31 H new ATOM 0 HB1 ALA A 23 -8.584 10.115 -5.262 1.00 44.20 H new ATOM 0 HB2 ALA A 23 -7.057 9.998 -6.167 1.00 44.20 H new ATOM 0 HB3 ALA A 23 -8.611 9.928 -7.031 1.00 44.20 H new ATOM 370 N ILE A 24 -9.690 6.476 -5.123 1.00 55.31 N ATOM 371 CA ILE A 24 -11.008 5.882 -4.854 1.00 1.34 C ATOM 372 C ILE A 24 -11.383 5.991 -3.364 1.00 75.12 C ATOM 373 O ILE A 24 -10.507 6.018 -2.500 1.00 54.33 O ATOM 374 CB ILE A 24 -11.053 4.391 -5.285 1.00 63.31 C ATOM 375 CG1 ILE A 24 -9.984 3.577 -4.536 1.00 13.13 C ATOM 376 CG2 ILE A 24 -10.870 4.268 -6.797 1.00 60.11 C ATOM 377 CD1 ILE A 24 -9.981 2.099 -4.876 1.00 42.34 C ATOM 0 H ILE A 24 -8.906 5.925 -4.774 1.00 55.31 H new ATOM 0 HA ILE A 24 -11.732 6.446 -5.442 1.00 1.34 H new ATOM 0 HB ILE A 24 -12.030 3.985 -5.024 1.00 63.31 H new ATOM 0 HG12 ILE A 24 -9.002 3.993 -4.761 1.00 13.13 H new ATOM 0 HG13 ILE A 24 -10.140 3.692 -3.463 1.00 13.13 H new ATOM 0 HG21 ILE A 24 -10.904 3.217 -7.083 1.00 60.11 H new ATOM 0 HG22 ILE A 24 -11.669 4.808 -7.305 1.00 60.11 H new ATOM 0 HG23 ILE A 24 -9.907 4.691 -7.083 1.00 60.11 H new ATOM 0 HD11 ILE A 24 -9.199 1.596 -4.307 1.00 42.34 H new ATOM 0 HD12 ILE A 24 -10.949 1.666 -4.624 1.00 42.34 H new ATOM 0 HD13 ILE A 24 -9.793 1.971 -5.942 1.00 42.34 H new ATOM 389 N PRO A 25 -12.695 6.066 -3.045 1.00 63.35 N ATOM 390 CA PRO A 25 -13.176 6.139 -1.648 1.00 64.14 C ATOM 391 C PRO A 25 -12.791 4.910 -0.801 1.00 74.53 C ATOM 392 O PRO A 25 -12.477 3.839 -1.334 1.00 10.33 O ATOM 393 CB PRO A 25 -14.707 6.229 -1.796 1.00 64.50 C ATOM 394 CG PRO A 25 -14.939 6.685 -3.199 1.00 12.34 C ATOM 395 CD PRO A 25 -13.808 6.113 -4.011 1.00 33.40 C ATOM 0 HA PRO A 25 -12.728 6.982 -1.123 1.00 64.14 H new ATOM 0 HB2 PRO A 25 -15.178 5.263 -1.613 1.00 64.50 H new ATOM 0 HB3 PRO A 25 -15.131 6.931 -1.078 1.00 64.50 H new ATOM 0 HG2 PRO A 25 -15.902 6.334 -3.569 1.00 12.34 H new ATOM 0 HG3 PRO A 25 -14.952 7.773 -3.259 1.00 12.34 H new ATOM 0 HD2 PRO A 25 -14.049 5.123 -4.397 1.00 33.40 H new ATOM 0 HD3 PRO A 25 -13.570 6.741 -4.870 1.00 33.40 H new ATOM 403 N ARG A 26 -12.846 5.066 0.525 1.00 31.12 N ATOM 404 CA ARG A 26 -12.509 3.979 1.456 1.00 2.43 C ATOM 405 C ARG A 26 -13.330 2.713 1.156 1.00 44.31 C ATOM 406 O ARG A 26 -12.819 1.595 1.238 1.00 42.42 O ATOM 407 CB ARG A 26 -12.755 4.422 2.908 1.00 32.42 C ATOM 408 CG ARG A 26 -12.206 3.449 3.953 1.00 3.04 C ATOM 409 CD ARG A 26 -12.706 3.772 5.360 1.00 42.03 C ATOM 410 NE ARG A 26 -14.145 3.544 5.485 1.00 24.33 N ATOM 411 CZ ARG A 26 -14.789 3.459 6.619 1.00 64.42 C ATOM 412 NH1 ARG A 26 -14.176 3.608 7.750 1.00 15.20 N ATOM 413 NH2 ARG A 26 -16.057 3.220 6.614 1.00 43.32 N ATOM 0 H ARG A 26 -13.121 5.936 0.981 1.00 31.12 H new ATOM 0 HA ARG A 26 -11.453 3.745 1.323 1.00 2.43 H new ATOM 0 HB2 ARG A 26 -12.299 5.400 3.061 1.00 32.42 H new ATOM 0 HB3 ARG A 26 -13.827 4.542 3.065 1.00 32.42 H new ATOM 0 HG2 ARG A 26 -12.498 2.432 3.690 1.00 3.04 H new ATOM 0 HG3 ARG A 26 -11.117 3.481 3.940 1.00 3.04 H new ATOM 0 HD2 ARG A 26 -12.175 3.156 6.086 1.00 42.03 H new ATOM 0 HD3 ARG A 26 -12.480 4.811 5.598 1.00 42.03 H new ATOM 0 HE ARG A 26 -14.685 3.444 4.625 1.00 24.33 H new ATOM 0 HH11 ARG A 26 -13.173 3.795 7.766 1.00 15.20 H new ATOM 0 HH12 ARG A 26 -14.696 3.538 8.625 1.00 15.20 H new ATOM 0 HH21 ARG A 26 -16.550 3.099 5.729 1.00 43.32 H new ATOM 0 HH22 ARG A 26 -16.567 3.152 7.495 1.00 43.32 H new ATOM 427 N ILE A 27 -14.603 2.907 0.798 1.00 45.32 N ATOM 428 CA ILE A 27 -15.493 1.793 0.445 1.00 72.21 C ATOM 429 C ILE A 27 -14.889 0.930 -0.678 1.00 24.34 C ATOM 430 O ILE A 27 -14.663 -0.263 -0.503 1.00 31.03 O ATOM 431 CB ILE A 27 -16.884 2.312 -0.010 1.00 71.21 C ATOM 432 CG1 ILE A 27 -17.501 3.228 1.063 1.00 75.03 C ATOM 433 CG2 ILE A 27 -17.824 1.146 -0.322 1.00 13.44 C ATOM 434 CD1 ILE A 27 -18.842 3.818 0.671 1.00 4.33 C ATOM 0 H ILE A 27 -15.042 3.826 0.745 1.00 45.32 H new ATOM 0 HA ILE A 27 -15.610 1.183 1.341 1.00 72.21 H new ATOM 0 HB ILE A 27 -16.746 2.894 -0.921 1.00 71.21 H new ATOM 0 HG12 ILE A 27 -17.621 2.660 1.986 1.00 75.03 H new ATOM 0 HG13 ILE A 27 -16.806 4.040 1.276 1.00 75.03 H new ATOM 0 HG21 ILE A 27 -18.792 1.534 -0.639 1.00 13.44 H new ATOM 0 HG22 ILE A 27 -17.398 0.539 -1.120 1.00 13.44 H new ATOM 0 HG23 ILE A 27 -17.953 0.534 0.570 1.00 13.44 H new ATOM 0 HD11 ILE A 27 -19.211 4.451 1.478 1.00 4.33 H new ATOM 0 HD12 ILE A 27 -18.727 4.415 -0.234 1.00 4.33 H new ATOM 0 HD13 ILE A 27 -19.554 3.013 0.487 1.00 4.33 H new ATOM 446 N GLU A 28 -14.597 1.555 -1.816 1.00 62.41 N ATOM 447 CA GLU A 28 -14.021 0.848 -2.969 1.00 31.41 C ATOM 448 C GLU A 28 -12.715 0.125 -2.607 1.00 44.15 C ATOM 449 O GLU A 28 -12.395 -0.924 -3.171 1.00 15.31 O ATOM 450 CB GLU A 28 -13.777 1.836 -4.117 1.00 44.40 C ATOM 451 CG GLU A 28 -15.057 2.426 -4.701 1.00 72.25 C ATOM 452 CD GLU A 28 -15.933 1.378 -5.374 1.00 22.21 C ATOM 453 OE1 GLU A 28 -15.602 0.958 -6.503 1.00 44.50 O ATOM 454 OE2 GLU A 28 -16.956 0.978 -4.782 1.00 43.42 O ATOM 0 H GLU A 28 -14.748 2.552 -1.970 1.00 62.41 H new ATOM 0 HA GLU A 28 -14.737 0.089 -3.284 1.00 31.41 H new ATOM 0 HB2 GLU A 28 -13.144 2.648 -3.758 1.00 44.40 H new ATOM 0 HB3 GLU A 28 -13.226 1.329 -4.910 1.00 44.40 H new ATOM 0 HG2 GLU A 28 -15.624 2.912 -3.907 1.00 72.25 H new ATOM 0 HG3 GLU A 28 -14.799 3.198 -5.426 1.00 72.25 H new ATOM 461 N ALA A 29 -11.971 0.686 -1.660 1.00 3.33 N ATOM 462 CA ALA A 29 -10.711 0.084 -1.209 1.00 71.44 C ATOM 463 C ALA A 29 -10.932 -1.203 -0.386 1.00 60.03 C ATOM 464 O ALA A 29 -10.128 -2.134 -0.452 1.00 54.45 O ATOM 465 CB ALA A 29 -9.912 1.096 -0.398 1.00 13.35 C ATOM 0 H ALA A 29 -12.214 1.556 -1.187 1.00 3.33 H new ATOM 0 HA ALA A 29 -10.150 -0.199 -2.100 1.00 71.44 H new ATOM 0 HB1 ALA A 29 -8.978 0.641 -0.067 1.00 13.35 H new ATOM 0 HB2 ALA A 29 -9.693 1.966 -1.017 1.00 13.35 H new ATOM 0 HB3 ALA A 29 -10.493 1.406 0.471 1.00 13.35 H new ATOM 471 N GLN A 30 -12.008 -1.243 0.404 1.00 64.21 N ATOM 472 CA GLN A 30 -12.299 -2.410 1.258 1.00 61.44 C ATOM 473 C GLN A 30 -13.128 -3.486 0.531 1.00 53.14 C ATOM 474 O GLN A 30 -12.955 -4.679 0.790 1.00 62.12 O ATOM 475 CB GLN A 30 -13.026 -1.974 2.543 1.00 42.34 C ATOM 476 CG GLN A 30 -14.377 -1.311 2.306 1.00 32.22 C ATOM 477 CD GLN A 30 -15.124 -1.022 3.595 1.00 33.34 C ATOM 478 OE1 GLN A 30 -14.974 0.037 4.196 1.00 74.22 O ATOM 479 NE2 GLN A 30 -15.936 -1.960 4.028 1.00 2.35 N ATOM 0 H GLN A 30 -12.691 -0.489 0.474 1.00 64.21 H new ATOM 0 HA GLN A 30 -11.337 -2.855 1.514 1.00 61.44 H new ATOM 0 HB2 GLN A 30 -13.170 -2.847 3.179 1.00 42.34 H new ATOM 0 HB3 GLN A 30 -12.386 -1.282 3.091 1.00 42.34 H new ATOM 0 HG2 GLN A 30 -14.229 -0.379 1.761 1.00 32.22 H new ATOM 0 HG3 GLN A 30 -14.988 -1.956 1.674 1.00 32.22 H new ATOM 0 HE21 GLN A 30 -16.037 -2.829 3.504 1.00 2.35 H new ATOM 0 HE22 GLN A 30 -16.465 -1.819 4.889 1.00 2.35 H new ATOM 488 N GLU A 31 -14.017 -3.064 -0.369 1.00 12.12 N ATOM 489 CA GLU A 31 -14.955 -3.982 -1.043 1.00 20.21 C ATOM 490 C GLU A 31 -14.246 -5.087 -1.846 1.00 63.40 C ATOM 491 O GLU A 31 -14.651 -6.250 -1.802 1.00 63.22 O ATOM 492 CB GLU A 31 -15.895 -3.201 -1.972 1.00 61.41 C ATOM 493 CG GLU A 31 -16.822 -2.228 -1.250 1.00 12.42 C ATOM 494 CD GLU A 31 -17.731 -2.912 -0.240 1.00 54.54 C ATOM 495 OE1 GLU A 31 -18.646 -3.654 -0.664 1.00 44.51 O ATOM 496 OE2 GLU A 31 -17.538 -2.716 0.977 1.00 20.13 O ATOM 0 H GLU A 31 -14.112 -2.089 -0.654 1.00 12.12 H new ATOM 0 HA GLU A 31 -15.526 -4.469 -0.253 1.00 20.21 H new ATOM 0 HB2 GLU A 31 -15.296 -2.646 -2.694 1.00 61.41 H new ATOM 0 HB3 GLU A 31 -16.500 -3.910 -2.538 1.00 61.41 H new ATOM 0 HG2 GLU A 31 -16.222 -1.475 -0.739 1.00 12.42 H new ATOM 0 HG3 GLU A 31 -17.434 -1.704 -1.985 1.00 12.42 H new ATOM 503 N LEU A 32 -13.198 -4.723 -2.582 1.00 60.11 N ATOM 504 CA LEU A 32 -12.504 -5.680 -3.458 1.00 44.24 C ATOM 505 C LEU A 32 -11.687 -6.710 -2.654 1.00 53.42 C ATOM 506 O LEU A 32 -11.407 -7.811 -3.140 1.00 34.43 O ATOM 507 CB LEU A 32 -11.611 -4.924 -4.463 1.00 63.43 C ATOM 508 CG LEU A 32 -10.447 -4.101 -3.868 1.00 25.54 C ATOM 509 CD1 LEU A 32 -9.206 -4.969 -3.664 1.00 3.53 C ATOM 510 CD2 LEU A 32 -10.128 -2.901 -4.757 1.00 64.01 C ATOM 0 H LEU A 32 -12.809 -3.780 -2.594 1.00 60.11 H new ATOM 0 HA LEU A 32 -13.259 -6.240 -4.010 1.00 44.24 H new ATOM 0 HB2 LEU A 32 -11.194 -5.649 -5.161 1.00 63.43 H new ATOM 0 HB3 LEU A 32 -12.243 -4.251 -5.042 1.00 63.43 H new ATOM 0 HG LEU A 32 -10.760 -3.732 -2.891 1.00 25.54 H new ATOM 0 HD11 LEU A 32 -8.403 -4.363 -3.244 1.00 3.53 H new ATOM 0 HD12 LEU A 32 -9.441 -5.784 -2.980 1.00 3.53 H new ATOM 0 HD13 LEU A 32 -8.888 -5.380 -4.622 1.00 3.53 H new ATOM 0 HD21 LEU A 32 -9.306 -2.334 -4.321 1.00 64.01 H new ATOM 0 HD22 LEU A 32 -9.843 -3.249 -5.750 1.00 64.01 H new ATOM 0 HD23 LEU A 32 -11.008 -2.262 -4.836 1.00 64.01 H new ATOM 522 N LEU A 33 -11.319 -6.349 -1.426 1.00 42.04 N ATOM 523 CA LEU A 33 -10.550 -7.234 -0.546 1.00 32.55 C ATOM 524 C LEU A 33 -11.388 -8.457 -0.136 1.00 33.23 C ATOM 525 O LEU A 33 -12.354 -8.334 0.621 1.00 63.45 O ATOM 526 CB LEU A 33 -10.098 -6.455 0.697 1.00 0.55 C ATOM 527 CG LEU A 33 -9.296 -5.173 0.405 1.00 63.13 C ATOM 528 CD1 LEU A 33 -9.002 -4.413 1.692 1.00 73.11 C ATOM 529 CD2 LEU A 33 -8.001 -5.498 -0.337 1.00 1.32 C ATOM 0 H LEU A 33 -11.542 -5.443 -1.013 1.00 42.04 H new ATOM 0 HA LEU A 33 -9.673 -7.592 -1.085 1.00 32.55 H new ATOM 0 HB2 LEU A 33 -10.979 -6.189 1.281 1.00 0.55 H new ATOM 0 HB3 LEU A 33 -9.490 -7.113 1.318 1.00 0.55 H new ATOM 0 HG LEU A 33 -9.904 -4.535 -0.236 1.00 63.13 H new ATOM 0 HD11 LEU A 33 -8.435 -3.511 1.461 1.00 73.11 H new ATOM 0 HD12 LEU A 33 -9.940 -4.138 2.174 1.00 73.11 H new ATOM 0 HD13 LEU A 33 -8.421 -5.045 2.363 1.00 73.11 H new ATOM 0 HD21 LEU A 33 -7.452 -4.577 -0.532 1.00 1.32 H new ATOM 0 HD22 LEU A 33 -7.389 -6.163 0.273 1.00 1.32 H new ATOM 0 HD23 LEU A 33 -8.236 -5.987 -1.282 1.00 1.32 H new ATOM 541 N LYS A 34 -11.021 -9.636 -0.643 1.00 44.10 N ATOM 542 CA LYS A 34 -11.828 -10.851 -0.438 1.00 5.34 C ATOM 543 C LYS A 34 -11.068 -11.941 0.340 1.00 13.14 C ATOM 544 O LYS A 34 -11.683 -12.815 0.962 1.00 35.12 O ATOM 545 CB LYS A 34 -12.295 -11.387 -1.800 1.00 4.13 C ATOM 546 CG LYS A 34 -11.154 -11.748 -2.749 1.00 71.15 C ATOM 547 CD LYS A 34 -11.632 -11.930 -4.191 1.00 54.23 C ATOM 548 CE LYS A 34 -11.795 -10.599 -4.930 1.00 23.12 C ATOM 549 NZ LYS A 34 -12.827 -9.717 -4.320 1.00 14.14 N ATOM 0 H LYS A 34 -10.176 -9.780 -1.196 1.00 44.10 H new ATOM 0 HA LYS A 34 -12.691 -10.580 0.171 1.00 5.34 H new ATOM 0 HB2 LYS A 34 -12.913 -12.270 -1.639 1.00 4.13 H new ATOM 0 HB3 LYS A 34 -12.927 -10.638 -2.277 1.00 4.13 H new ATOM 0 HG2 LYS A 34 -10.396 -10.965 -2.716 1.00 71.15 H new ATOM 0 HG3 LYS A 34 -10.678 -12.667 -2.408 1.00 71.15 H new ATOM 0 HD2 LYS A 34 -10.920 -12.555 -4.730 1.00 54.23 H new ATOM 0 HD3 LYS A 34 -12.585 -12.460 -4.190 1.00 54.23 H new ATOM 0 HE2 LYS A 34 -10.839 -10.076 -4.941 1.00 23.12 H new ATOM 0 HE3 LYS A 34 -12.062 -10.797 -5.968 1.00 23.12 H new ATOM 0 HZ1 LYS A 34 -13.137 -9.011 -5.018 1.00 14.14 H new ATOM 0 HZ2 LYS A 34 -13.642 -10.291 -4.022 1.00 14.14 H new ATOM 0 HZ3 LYS A 34 -12.424 -9.232 -3.493 1.00 14.14 H new ATOM 563 N LYS A 35 -9.741 -11.897 0.300 1.00 5.41 N ATOM 564 CA LYS A 35 -8.896 -12.860 1.024 1.00 22.32 C ATOM 565 C LYS A 35 -7.655 -12.172 1.608 1.00 3.54 C ATOM 566 O LYS A 35 -7.309 -11.061 1.211 1.00 55.41 O ATOM 567 CB LYS A 35 -8.482 -14.013 0.094 1.00 5.14 C ATOM 568 CG LYS A 35 -8.161 -13.564 -1.329 1.00 53.14 C ATOM 569 CD LYS A 35 -7.438 -14.643 -2.125 1.00 43.53 C ATOM 570 CE LYS A 35 -5.996 -14.803 -1.665 1.00 65.51 C ATOM 571 NZ LYS A 35 -5.212 -13.558 -1.883 1.00 63.55 N ATOM 0 H LYS A 35 -9.216 -11.201 -0.229 1.00 5.41 H new ATOM 0 HA LYS A 35 -9.478 -13.268 1.851 1.00 22.32 H new ATOM 0 HB2 LYS A 35 -7.609 -14.512 0.514 1.00 5.14 H new ATOM 0 HB3 LYS A 35 -9.285 -14.749 0.062 1.00 5.14 H new ATOM 0 HG2 LYS A 35 -9.085 -13.296 -1.841 1.00 53.14 H new ATOM 0 HG3 LYS A 35 -7.544 -12.666 -1.294 1.00 53.14 H new ATOM 0 HD2 LYS A 35 -7.964 -15.592 -2.015 1.00 43.53 H new ATOM 0 HD3 LYS A 35 -7.457 -14.389 -3.185 1.00 43.53 H new ATOM 0 HE2 LYS A 35 -5.978 -15.065 -0.607 1.00 65.51 H new ATOM 0 HE3 LYS A 35 -5.530 -15.627 -2.206 1.00 65.51 H new ATOM 0 HZ1 LYS A 35 -4.511 -13.717 -2.634 1.00 63.55 H new ATOM 0 HZ2 LYS A 35 -5.853 -12.789 -2.164 1.00 63.55 H new ATOM 0 HZ3 LYS A 35 -4.723 -13.297 -1.003 1.00 63.55 H new ATOM 585 N GLN A 36 -6.988 -12.824 2.563 1.00 4.40 N ATOM 586 CA GLN A 36 -5.807 -12.231 3.197 1.00 50.03 C ATOM 587 C GLN A 36 -4.674 -12.008 2.182 1.00 32.53 C ATOM 588 O GLN A 36 -4.458 -12.818 1.275 1.00 22.41 O ATOM 589 CB GLN A 36 -5.310 -13.090 4.369 1.00 33.10 C ATOM 590 CG GLN A 36 -4.124 -12.471 5.112 1.00 11.22 C ATOM 591 CD GLN A 36 -3.727 -13.233 6.365 1.00 52.35 C ATOM 592 OE1 GLN A 36 -3.893 -14.444 6.455 1.00 1.14 O ATOM 593 NE2 GLN A 36 -3.187 -12.529 7.343 1.00 60.35 N ATOM 0 H GLN A 36 -7.240 -13.749 2.911 1.00 4.40 H new ATOM 0 HA GLN A 36 -6.109 -11.260 3.588 1.00 50.03 H new ATOM 0 HB2 GLN A 36 -6.130 -13.244 5.071 1.00 33.10 H new ATOM 0 HB3 GLN A 36 -5.023 -14.072 3.994 1.00 33.10 H new ATOM 0 HG2 GLN A 36 -3.268 -12.425 4.439 1.00 11.22 H new ATOM 0 HG3 GLN A 36 -4.372 -11.445 5.384 1.00 11.22 H new ATOM 0 HE21 GLN A 36 -3.062 -11.522 7.238 1.00 60.35 H new ATOM 0 HE22 GLN A 36 -2.895 -12.992 8.204 1.00 60.35 H new ATOM 602 N GLY A 37 -3.966 -10.896 2.339 1.00 22.14 N ATOM 603 CA GLY A 37 -2.883 -10.550 1.433 1.00 22.43 C ATOM 604 C GLY A 37 -3.276 -9.469 0.438 1.00 5.41 C ATOM 605 O GLY A 37 -2.469 -8.599 0.114 1.00 13.13 O ATOM 0 H GLY A 37 -4.124 -10.220 3.086 1.00 22.14 H new ATOM 0 HA2 GLY A 37 -2.024 -10.211 2.012 1.00 22.43 H new ATOM 0 HA3 GLY A 37 -2.569 -11.442 0.890 1.00 22.43 H new ATOM 609 N ASP A 38 -4.524 -9.518 -0.028 1.00 61.51 N ATOM 610 CA ASP A 38 -5.032 -8.554 -1.009 1.00 75.04 C ATOM 611 C ASP A 38 -4.738 -7.109 -0.572 1.00 44.31 C ATOM 612 O ASP A 38 -5.191 -6.663 0.488 1.00 30.11 O ATOM 613 CB ASP A 38 -6.547 -8.731 -1.186 1.00 43.14 C ATOM 614 CG ASP A 38 -6.958 -10.130 -1.623 1.00 12.43 C ATOM 615 OD1 ASP A 38 -6.070 -10.986 -1.862 1.00 51.10 O ATOM 616 OD2 ASP A 38 -8.182 -10.380 -1.730 1.00 74.35 O ATOM 0 H ASP A 38 -5.207 -10.219 0.259 1.00 61.51 H new ATOM 0 HA ASP A 38 -4.525 -8.742 -1.955 1.00 75.04 H new ATOM 0 HB2 ASP A 38 -7.043 -8.495 -0.244 1.00 43.14 H new ATOM 0 HB3 ASP A 38 -6.903 -8.011 -1.923 1.00 43.14 H new ATOM 621 N PHE A 39 -3.977 -6.378 -1.385 1.00 12.00 N ATOM 622 CA PHE A 39 -3.644 -4.988 -1.070 1.00 71.14 C ATOM 623 C PHE A 39 -3.698 -4.089 -2.311 1.00 73.25 C ATOM 624 O PHE A 39 -3.489 -4.545 -3.439 1.00 72.41 O ATOM 625 CB PHE A 39 -2.256 -4.889 -0.410 1.00 65.12 C ATOM 626 CG PHE A 39 -1.094 -5.267 -1.302 1.00 15.43 C ATOM 627 CD1 PHE A 39 -0.663 -6.584 -1.390 1.00 50.02 C ATOM 628 CD2 PHE A 39 -0.425 -4.299 -2.043 1.00 32.41 C ATOM 629 CE1 PHE A 39 0.409 -6.927 -2.193 1.00 44.33 C ATOM 630 CE2 PHE A 39 0.645 -4.639 -2.849 1.00 41.51 C ATOM 631 CZ PHE A 39 1.062 -5.954 -2.923 1.00 74.20 C ATOM 0 H PHE A 39 -3.582 -6.721 -2.260 1.00 12.00 H new ATOM 0 HA PHE A 39 -4.398 -4.635 -0.366 1.00 71.14 H new ATOM 0 HB2 PHE A 39 -2.109 -3.867 -0.061 1.00 65.12 H new ATOM 0 HB3 PHE A 39 -2.243 -5.532 0.470 1.00 65.12 H new ATOM 0 HD1 PHE A 39 -1.172 -7.350 -0.824 1.00 50.02 H new ATOM 0 HD2 PHE A 39 -0.745 -3.269 -1.988 1.00 32.41 H new ATOM 0 HE1 PHE A 39 0.735 -7.955 -2.249 1.00 44.33 H new ATOM 0 HE2 PHE A 39 1.155 -3.877 -3.420 1.00 41.51 H new ATOM 0 HZ PHE A 39 1.899 -6.221 -3.552 1.00 74.20 H new ATOM 641 N LEU A 40 -3.988 -2.812 -2.082 1.00 31.11 N ATOM 642 CA LEU A 40 -3.973 -1.801 -3.142 1.00 52.44 C ATOM 643 C LEU A 40 -3.578 -0.428 -2.579 1.00 41.23 C ATOM 644 O LEU A 40 -3.758 -0.153 -1.390 1.00 15.14 O ATOM 645 CB LEU A 40 -5.349 -1.687 -3.824 1.00 22.21 C ATOM 646 CG LEU A 40 -6.477 -1.096 -2.953 1.00 12.03 C ATOM 647 CD1 LEU A 40 -7.590 -0.521 -3.822 1.00 43.44 C ATOM 648 CD2 LEU A 40 -7.037 -2.145 -1.995 1.00 14.44 C ATOM 0 H LEU A 40 -4.239 -2.447 -1.163 1.00 31.11 H new ATOM 0 HA LEU A 40 -3.236 -2.118 -3.880 1.00 52.44 H new ATOM 0 HB2 LEU A 40 -5.242 -1.070 -4.716 1.00 22.21 H new ATOM 0 HB3 LEU A 40 -5.653 -2.679 -4.157 1.00 22.21 H new ATOM 0 HG LEU A 40 -6.050 -0.287 -2.361 1.00 12.03 H new ATOM 0 HD11 LEU A 40 -8.374 -0.110 -3.185 1.00 43.44 H new ATOM 0 HD12 LEU A 40 -7.186 0.269 -4.455 1.00 43.44 H new ATOM 0 HD13 LEU A 40 -8.007 -1.310 -4.448 1.00 43.44 H new ATOM 0 HD21 LEU A 40 -7.830 -1.702 -1.393 1.00 14.44 H new ATOM 0 HD22 LEU A 40 -7.439 -2.982 -2.566 1.00 14.44 H new ATOM 0 HD23 LEU A 40 -6.242 -2.502 -1.341 1.00 14.44 H new ATOM 660 N VAL A 41 -3.040 0.429 -3.437 1.00 34.32 N ATOM 661 CA VAL A 41 -2.717 1.807 -3.056 1.00 15.12 C ATOM 662 C VAL A 41 -3.668 2.799 -3.735 1.00 31.43 C ATOM 663 O VAL A 41 -3.897 2.738 -4.947 1.00 51.43 O ATOM 664 CB VAL A 41 -1.253 2.173 -3.410 1.00 33.34 C ATOM 665 CG1 VAL A 41 -0.955 3.639 -3.086 1.00 24.33 C ATOM 666 CG2 VAL A 41 -0.283 1.251 -2.675 1.00 32.33 C ATOM 0 H VAL A 41 -2.816 0.198 -4.405 1.00 34.32 H new ATOM 0 HA VAL A 41 -2.837 1.873 -1.975 1.00 15.12 H new ATOM 0 HB VAL A 41 -1.120 2.036 -4.483 1.00 33.34 H new ATOM 0 HG11 VAL A 41 0.079 3.866 -3.345 1.00 24.33 H new ATOM 0 HG12 VAL A 41 -1.622 4.281 -3.660 1.00 24.33 H new ATOM 0 HG13 VAL A 41 -1.109 3.815 -2.021 1.00 24.33 H new ATOM 0 HG21 VAL A 41 0.741 1.520 -2.933 1.00 32.33 H new ATOM 0 HG22 VAL A 41 -0.425 1.356 -1.599 1.00 32.33 H new ATOM 0 HG23 VAL A 41 -0.471 0.218 -2.967 1.00 32.33 H new ATOM 676 N ARG A 42 -4.232 3.701 -2.940 1.00 20.01 N ATOM 677 CA ARG A 42 -5.149 4.724 -3.449 1.00 52.15 C ATOM 678 C ARG A 42 -4.717 6.119 -2.981 1.00 32.53 C ATOM 679 O ARG A 42 -4.046 6.256 -1.961 1.00 50.42 O ATOM 680 CB ARG A 42 -6.577 4.441 -2.960 1.00 54.34 C ATOM 681 CG ARG A 42 -6.757 4.620 -1.452 1.00 32.15 C ATOM 682 CD ARG A 42 -8.214 4.473 -1.024 1.00 42.13 C ATOM 683 NE ARG A 42 -8.419 4.906 0.359 1.00 63.31 N ATOM 684 CZ ARG A 42 -9.049 6.003 0.698 1.00 21.33 C ATOM 685 NH1 ARG A 42 -9.556 6.781 -0.204 1.00 61.21 N ATOM 686 NH2 ARG A 42 -9.175 6.318 1.944 1.00 21.32 N ATOM 0 H ARG A 42 -4.071 3.748 -1.934 1.00 20.01 H new ATOM 0 HA ARG A 42 -5.124 4.694 -4.538 1.00 52.15 H new ATOM 0 HB2 ARG A 42 -7.268 5.104 -3.481 1.00 54.34 H new ATOM 0 HB3 ARG A 42 -6.849 3.421 -3.231 1.00 54.34 H new ATOM 0 HG2 ARG A 42 -6.149 3.884 -0.925 1.00 32.15 H new ATOM 0 HG3 ARG A 42 -6.391 5.604 -1.158 1.00 32.15 H new ATOM 0 HD2 ARG A 42 -8.849 5.061 -1.687 1.00 42.13 H new ATOM 0 HD3 ARG A 42 -8.521 3.432 -1.129 1.00 42.13 H new ATOM 0 HE ARG A 42 -8.048 4.317 1.105 1.00 63.31 H new ATOM 0 HH11 ARG A 42 -9.467 6.542 -1.192 1.00 61.21 H new ATOM 0 HH12 ARG A 42 -10.044 7.633 0.073 1.00 61.21 H new ATOM 0 HH21 ARG A 42 -8.784 5.712 2.665 1.00 21.32 H new ATOM 0 HH22 ARG A 42 -9.666 7.173 2.207 1.00 21.32 H new ATOM 700 N GLU A 43 -5.102 7.150 -3.723 1.00 13.42 N ATOM 701 CA GLU A 43 -4.858 8.532 -3.298 1.00 43.41 C ATOM 702 C GLU A 43 -6.077 9.079 -2.543 1.00 10.02 C ATOM 703 O GLU A 43 -7.218 8.838 -2.940 1.00 65.21 O ATOM 704 CB GLU A 43 -4.537 9.427 -4.506 1.00 15.40 C ATOM 705 CG GLU A 43 -4.342 10.900 -4.145 1.00 13.34 C ATOM 706 CD GLU A 43 -3.955 11.761 -5.340 1.00 11.52 C ATOM 707 OE1 GLU A 43 -4.736 11.831 -6.311 1.00 61.23 O ATOM 708 OE2 GLU A 43 -2.866 12.374 -5.316 1.00 5.03 O ATOM 0 H GLU A 43 -5.582 7.061 -4.618 1.00 13.42 H new ATOM 0 HA GLU A 43 -3.997 8.536 -2.630 1.00 43.41 H new ATOM 0 HB2 GLU A 43 -3.633 9.058 -4.990 1.00 15.40 H new ATOM 0 HB3 GLU A 43 -5.345 9.344 -5.233 1.00 15.40 H new ATOM 0 HG2 GLU A 43 -5.263 11.286 -3.709 1.00 13.34 H new ATOM 0 HG3 GLU A 43 -3.569 10.981 -3.380 1.00 13.34 H new ATOM 715 N SER A 44 -5.836 9.797 -1.450 1.00 43.33 N ATOM 716 CA SER A 44 -6.930 10.410 -0.685 1.00 44.31 C ATOM 717 C SER A 44 -7.620 11.496 -1.525 1.00 21.05 C ATOM 718 O SER A 44 -7.017 12.516 -1.852 1.00 15.33 O ATOM 719 CB SER A 44 -6.395 11.010 0.622 1.00 24.24 C ATOM 720 OG SER A 44 -5.741 10.031 1.413 1.00 14.15 O ATOM 0 H SER A 44 -4.904 9.971 -1.073 1.00 43.33 H new ATOM 0 HA SER A 44 -7.660 9.639 -0.441 1.00 44.31 H new ATOM 0 HB2 SER A 44 -5.701 11.819 0.395 1.00 24.24 H new ATOM 0 HB3 SER A 44 -7.219 11.446 1.188 1.00 24.24 H new ATOM 0 HG SER A 44 -4.820 9.917 1.098 1.00 14.15 H new ATOM 794 N GLU A 50 -1.306 12.706 -1.134 1.00 23.22 N ATOM 795 CA GLU A 50 -1.127 11.773 -0.013 1.00 40.20 C ATOM 796 C GLU A 50 -1.867 10.450 -0.265 1.00 4.22 C ATOM 797 O GLU A 50 -3.097 10.407 -0.365 1.00 34.02 O ATOM 798 CB GLU A 50 -1.588 12.411 1.304 1.00 12.31 C ATOM 799 CG GLU A 50 -1.385 11.514 2.526 1.00 74.40 C ATOM 800 CD GLU A 50 -1.427 12.284 3.835 1.00 23.30 C ATOM 801 OE1 GLU A 50 -2.534 12.575 4.331 1.00 15.40 O ATOM 802 OE2 GLU A 50 -0.347 12.617 4.369 1.00 13.32 O ATOM 0 HA GLU A 50 -0.063 11.550 0.068 1.00 40.20 H new ATOM 0 HB2 GLU A 50 -1.045 13.344 1.455 1.00 12.31 H new ATOM 0 HB3 GLU A 50 -2.645 12.666 1.223 1.00 12.31 H new ATOM 0 HG2 GLU A 50 -2.156 10.744 2.538 1.00 74.40 H new ATOM 0 HG3 GLU A 50 -0.426 11.003 2.441 1.00 74.40 H new ATOM 809 N TYR A 51 -1.099 9.369 -0.357 1.00 31.41 N ATOM 810 CA TYR A 51 -1.634 8.052 -0.712 1.00 12.40 C ATOM 811 C TYR A 51 -1.782 7.145 0.519 1.00 62.24 C ATOM 812 O TYR A 51 -0.978 7.198 1.449 1.00 72.20 O ATOM 813 CB TYR A 51 -0.724 7.389 -1.758 1.00 64.44 C ATOM 814 CG TYR A 51 -0.722 8.110 -3.097 1.00 10.23 C ATOM 815 CD1 TYR A 51 -0.152 9.376 -3.234 1.00 64.04 C ATOM 816 CD2 TYR A 51 -1.308 7.536 -4.217 1.00 52.21 C ATOM 817 CE1 TYR A 51 -0.166 10.040 -4.446 1.00 50.34 C ATOM 818 CE2 TYR A 51 -1.328 8.196 -5.431 1.00 15.33 C ATOM 819 CZ TYR A 51 -0.759 9.446 -5.540 1.00 50.15 C ATOM 820 OH TYR A 51 -0.785 10.101 -6.750 1.00 24.42 O ATOM 0 H TYR A 51 -0.093 9.377 -0.189 1.00 31.41 H new ATOM 0 HA TYR A 51 -2.630 8.194 -1.132 1.00 12.40 H new ATOM 0 HB2 TYR A 51 0.295 7.352 -1.372 1.00 64.44 H new ATOM 0 HB3 TYR A 51 -1.046 6.359 -1.909 1.00 64.44 H new ATOM 0 HD1 TYR A 51 0.309 9.846 -2.377 1.00 64.04 H new ATOM 0 HD2 TYR A 51 -1.756 6.557 -4.138 1.00 52.21 H new ATOM 0 HE1 TYR A 51 0.284 11.017 -4.536 1.00 50.34 H new ATOM 0 HE2 TYR A 51 -1.788 7.733 -6.292 1.00 15.33 H new ATOM 0 HH TYR A 51 -1.239 9.542 -7.415 1.00 24.42 H new ATOM 830 N VAL A 52 -2.825 6.316 0.517 1.00 73.11 N ATOM 831 CA VAL A 52 -3.083 5.383 1.617 1.00 75.32 C ATOM 832 C VAL A 52 -3.089 3.925 1.126 1.00 12.23 C ATOM 833 O VAL A 52 -3.699 3.601 0.101 1.00 21.35 O ATOM 834 CB VAL A 52 -4.436 5.690 2.314 1.00 52.23 C ATOM 835 CG1 VAL A 52 -4.680 4.735 3.485 1.00 53.53 C ATOM 836 CG2 VAL A 52 -4.485 7.146 2.783 1.00 33.51 C ATOM 0 H VAL A 52 -3.509 6.270 -0.238 1.00 73.11 H new ATOM 0 HA VAL A 52 -2.274 5.514 2.336 1.00 75.32 H new ATOM 0 HB VAL A 52 -5.232 5.538 1.585 1.00 52.23 H new ATOM 0 HG11 VAL A 52 -5.634 4.972 3.955 1.00 53.53 H new ATOM 0 HG12 VAL A 52 -4.701 3.708 3.119 1.00 53.53 H new ATOM 0 HG13 VAL A 52 -3.879 4.843 4.216 1.00 53.53 H new ATOM 0 HG21 VAL A 52 -5.441 7.340 3.269 1.00 33.51 H new ATOM 0 HG22 VAL A 52 -3.676 7.328 3.490 1.00 33.51 H new ATOM 0 HG23 VAL A 52 -4.373 7.809 1.925 1.00 33.51 H new ATOM 846 N LEU A 53 -2.416 3.055 1.871 1.00 60.50 N ATOM 847 CA LEU A 53 -2.376 1.625 1.563 1.00 62.42 C ATOM 848 C LEU A 53 -3.569 0.898 2.202 1.00 73.25 C ATOM 849 O LEU A 53 -3.912 1.142 3.362 1.00 33.31 O ATOM 850 CB LEU A 53 -1.064 1.012 2.073 1.00 4.22 C ATOM 851 CG LEU A 53 -0.887 -0.497 1.807 1.00 62.22 C ATOM 852 CD1 LEU A 53 -0.780 -0.780 0.310 1.00 23.53 C ATOM 853 CD2 LEU A 53 0.337 -1.034 2.546 1.00 3.31 C ATOM 0 H LEU A 53 -1.885 3.316 2.702 1.00 60.50 H new ATOM 0 HA LEU A 53 -2.433 1.507 0.481 1.00 62.42 H new ATOM 0 HB2 LEU A 53 -0.232 1.544 1.612 1.00 4.22 H new ATOM 0 HB3 LEU A 53 -0.997 1.184 3.147 1.00 4.22 H new ATOM 0 HG LEU A 53 -1.770 -1.012 2.185 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -0.656 -1.851 0.150 1.00 23.53 H new ATOM 0 HD12 LEU A 53 -1.687 -0.441 -0.190 1.00 23.53 H new ATOM 0 HD13 LEU A 53 0.080 -0.250 -0.100 1.00 23.53 H new ATOM 0 HD21 LEU A 53 0.444 -2.100 2.345 1.00 3.31 H new ATOM 0 HD22 LEU A 53 1.228 -0.509 2.203 1.00 3.31 H new ATOM 0 HD23 LEU A 53 0.213 -0.877 3.617 1.00 3.31 H new ATOM 865 N SER A 54 -4.199 0.015 1.438 1.00 61.12 N ATOM 866 CA SER A 54 -5.338 -0.770 1.933 1.00 52.12 C ATOM 867 C SER A 54 -5.089 -2.269 1.732 1.00 24.14 C ATOM 868 O SER A 54 -5.166 -2.773 0.611 1.00 30.12 O ATOM 869 CB SER A 54 -6.630 -0.349 1.214 1.00 51.11 C ATOM 870 OG SER A 54 -7.766 -1.001 1.763 1.00 43.43 O ATOM 0 H SER A 54 -3.945 -0.181 0.470 1.00 61.12 H new ATOM 0 HA SER A 54 -5.449 -0.576 3.000 1.00 52.12 H new ATOM 0 HB2 SER A 54 -6.756 0.731 1.292 1.00 51.11 H new ATOM 0 HB3 SER A 54 -6.551 -0.585 0.153 1.00 51.11 H new ATOM 0 HG SER A 54 -8.376 -1.260 1.041 1.00 43.43 H new ATOM 876 N VAL A 55 -4.778 -2.972 2.817 1.00 74.13 N ATOM 877 CA VAL A 55 -4.467 -4.406 2.756 1.00 64.14 C ATOM 878 C VAL A 55 -5.351 -5.219 3.720 1.00 65.55 C ATOM 879 O VAL A 55 -5.597 -4.811 4.857 1.00 73.11 O ATOM 880 CB VAL A 55 -2.966 -4.668 3.066 1.00 53.00 C ATOM 881 CG1 VAL A 55 -2.566 -4.060 4.406 1.00 14.32 C ATOM 882 CG2 VAL A 55 -2.653 -6.167 3.031 1.00 15.22 C ATOM 0 H VAL A 55 -4.733 -2.574 3.755 1.00 74.13 H new ATOM 0 HA VAL A 55 -4.678 -4.735 1.738 1.00 64.14 H new ATOM 0 HB VAL A 55 -2.376 -4.181 2.289 1.00 53.00 H new ATOM 0 HG11 VAL A 55 -1.511 -4.259 4.596 1.00 14.32 H new ATOM 0 HG12 VAL A 55 -2.733 -2.983 4.381 1.00 14.32 H new ATOM 0 HG13 VAL A 55 -3.167 -4.502 5.200 1.00 14.32 H new ATOM 0 HG21 VAL A 55 -1.597 -6.323 3.251 1.00 15.22 H new ATOM 0 HG22 VAL A 55 -3.259 -6.683 3.776 1.00 15.22 H new ATOM 0 HG23 VAL A 55 -2.880 -6.563 2.041 1.00 15.22 H new ATOM 892 N TYR A 56 -5.835 -6.366 3.255 1.00 21.52 N ATOM 893 CA TYR A 56 -6.698 -7.234 4.063 1.00 22.04 C ATOM 894 C TYR A 56 -5.879 -8.331 4.764 1.00 72.33 C ATOM 895 O TYR A 56 -5.310 -9.204 4.116 1.00 12.01 O ATOM 896 CB TYR A 56 -7.775 -7.862 3.167 1.00 51.12 C ATOM 897 CG TYR A 56 -8.836 -8.641 3.921 1.00 0.31 C ATOM 898 CD1 TYR A 56 -9.798 -7.982 4.675 1.00 4.43 C ATOM 899 CD2 TYR A 56 -8.886 -10.028 3.866 1.00 65.23 C ATOM 900 CE1 TYR A 56 -10.775 -8.682 5.353 1.00 50.04 C ATOM 901 CE2 TYR A 56 -9.859 -10.734 4.542 1.00 71.33 C ATOM 902 CZ TYR A 56 -10.801 -10.057 5.285 1.00 43.45 C ATOM 903 OH TYR A 56 -11.772 -10.759 5.960 1.00 65.24 O ATOM 0 H TYR A 56 -5.645 -6.721 2.318 1.00 21.52 H new ATOM 0 HA TYR A 56 -7.175 -6.631 4.835 1.00 22.04 H new ATOM 0 HB2 TYR A 56 -8.260 -7.072 2.593 1.00 51.12 H new ATOM 0 HB3 TYR A 56 -7.293 -8.527 2.450 1.00 51.12 H new ATOM 0 HD1 TYR A 56 -9.781 -6.904 4.732 1.00 4.43 H new ATOM 0 HD2 TYR A 56 -8.150 -10.563 3.284 1.00 65.23 H new ATOM 0 HE1 TYR A 56 -11.516 -8.154 5.934 1.00 50.04 H new ATOM 0 HE2 TYR A 56 -9.882 -11.812 4.489 1.00 71.33 H new ATOM 0 HH TYR A 56 -11.648 -11.719 5.806 1.00 65.24 H new ATOM 913 N SER A 57 -5.823 -8.286 6.094 1.00 4.14 N ATOM 914 CA SER A 57 -5.034 -9.257 6.866 1.00 62.42 C ATOM 915 C SER A 57 -5.701 -9.579 8.203 1.00 21.30 C ATOM 916 O SER A 57 -6.294 -8.701 8.830 1.00 3.54 O ATOM 917 CB SER A 57 -3.613 -8.732 7.116 1.00 33.55 C ATOM 918 OG SER A 57 -2.819 -9.706 7.781 1.00 22.15 O ATOM 0 H SER A 57 -6.311 -7.593 6.662 1.00 4.14 H new ATOM 0 HA SER A 57 -4.979 -10.171 6.274 1.00 62.42 H new ATOM 0 HB2 SER A 57 -3.148 -8.465 6.167 1.00 33.55 H new ATOM 0 HB3 SER A 57 -3.658 -7.823 7.716 1.00 33.55 H new ATOM 0 HG SER A 57 -3.067 -9.738 8.729 1.00 22.15 H new ATOM 924 N ASP A 58 -5.633 -10.849 8.615 1.00 23.01 N ATOM 925 CA ASP A 58 -6.215 -11.296 9.891 1.00 24.13 C ATOM 926 C ASP A 58 -7.743 -11.116 9.915 1.00 1.05 C ATOM 927 O ASP A 58 -8.354 -11.052 10.983 1.00 54.45 O ATOM 928 CB ASP A 58 -5.572 -10.542 11.066 1.00 63.13 C ATOM 929 CG ASP A 58 -4.094 -10.855 11.219 1.00 13.14 C ATOM 930 OD1 ASP A 58 -3.262 -10.160 10.597 1.00 12.43 O ATOM 931 OD2 ASP A 58 -3.760 -11.793 11.976 1.00 51.22 O ATOM 0 H ASP A 58 -5.179 -11.591 8.082 1.00 23.01 H new ATOM 0 HA ASP A 58 -6.005 -12.361 9.992 1.00 24.13 H new ATOM 0 HB2 ASP A 58 -5.700 -9.470 10.919 1.00 63.13 H new ATOM 0 HB3 ASP A 58 -6.092 -10.801 11.988 1.00 63.13 H new ATOM 936 N GLY A 59 -8.358 -11.072 8.734 1.00 23.13 N ATOM 937 CA GLY A 59 -9.790 -10.815 8.643 1.00 5.24 C ATOM 938 C GLY A 59 -10.156 -9.364 8.951 1.00 51.13 C ATOM 939 O GLY A 59 -11.300 -9.058 9.294 1.00 13.32 O ATOM 0 H GLY A 59 -7.891 -11.210 7.838 1.00 23.13 H new ATOM 0 HA2 GLY A 59 -10.136 -11.066 7.640 1.00 5.24 H new ATOM 0 HA3 GLY A 59 -10.316 -11.472 9.336 1.00 5.24 H new ATOM 943 N GLN A 60 -9.175 -8.471 8.834 1.00 74.22 N ATOM 944 CA GLN A 60 -9.369 -7.042 9.108 1.00 4.05 C ATOM 945 C GLN A 60 -8.804 -6.175 7.967 1.00 53.45 C ATOM 946 O GLN A 60 -7.855 -6.570 7.282 1.00 32.31 O ATOM 947 CB GLN A 60 -8.673 -6.666 10.428 1.00 15.34 C ATOM 948 CG GLN A 60 -9.160 -7.463 11.638 1.00 31.11 C ATOM 949 CD GLN A 60 -8.345 -7.191 12.893 1.00 64.32 C ATOM 950 OE1 GLN A 60 -7.355 -7.866 13.167 1.00 30.44 O ATOM 951 NE2 GLN A 60 -8.750 -6.206 13.666 1.00 3.43 N ATOM 0 H GLN A 60 -8.226 -8.713 8.548 1.00 74.22 H new ATOM 0 HA GLN A 60 -10.440 -6.855 9.186 1.00 4.05 H new ATOM 0 HB2 GLN A 60 -7.599 -6.816 10.316 1.00 15.34 H new ATOM 0 HB3 GLN A 60 -8.829 -5.604 10.619 1.00 15.34 H new ATOM 0 HG2 GLN A 60 -10.205 -7.220 11.830 1.00 31.11 H new ATOM 0 HG3 GLN A 60 -9.117 -8.527 11.407 1.00 31.11 H new ATOM 0 HE21 GLN A 60 -9.576 -5.664 13.411 1.00 3.43 H new ATOM 0 HE22 GLN A 60 -8.238 -5.984 14.520 1.00 3.43 H new ATOM 960 N ARG A 61 -9.391 -4.998 7.760 1.00 43.50 N ATOM 961 CA ARG A 61 -8.873 -4.039 6.775 1.00 53.43 C ATOM 962 C ARG A 61 -7.791 -3.131 7.391 1.00 1.03 C ATOM 963 O ARG A 61 -8.099 -2.180 8.110 1.00 75.12 O ATOM 964 CB ARG A 61 -10.013 -3.173 6.197 1.00 10.44 C ATOM 965 CG ARG A 61 -10.650 -3.724 4.919 1.00 72.24 C ATOM 966 CD ARG A 61 -11.536 -4.945 5.154 1.00 51.33 C ATOM 967 NE ARG A 61 -12.166 -5.385 3.905 1.00 2.20 N ATOM 968 CZ ARG A 61 -13.143 -6.251 3.829 1.00 34.54 C ATOM 969 NH1 ARG A 61 -13.591 -6.842 4.888 1.00 65.11 N ATOM 970 NH2 ARG A 61 -13.659 -6.534 2.679 1.00 51.43 N ATOM 0 H ARG A 61 -10.224 -4.682 8.257 1.00 43.50 H new ATOM 0 HA ARG A 61 -8.422 -4.616 5.968 1.00 53.43 H new ATOM 0 HB2 ARG A 61 -10.788 -3.064 6.955 1.00 10.44 H new ATOM 0 HB3 ARG A 61 -9.625 -2.175 5.992 1.00 10.44 H new ATOM 0 HG2 ARG A 61 -11.244 -2.939 4.452 1.00 72.24 H new ATOM 0 HG3 ARG A 61 -9.861 -3.988 4.215 1.00 72.24 H new ATOM 0 HD2 ARG A 61 -10.940 -5.757 5.570 1.00 51.33 H new ATOM 0 HD3 ARG A 61 -12.305 -4.705 5.888 1.00 51.33 H new ATOM 0 HE ARG A 61 -11.817 -4.987 3.033 1.00 2.20 H new ATOM 0 HH11 ARG A 61 -13.182 -6.635 5.799 1.00 65.11 H new ATOM 0 HH12 ARG A 61 -14.354 -7.515 4.812 1.00 65.11 H new ATOM 0 HH21 ARG A 61 -13.304 -6.083 1.836 1.00 51.43 H new ATOM 0 HH22 ARG A 61 -14.421 -7.209 2.614 1.00 51.43 H new ATOM 984 N ARG A 62 -6.531 -3.417 7.079 1.00 45.11 N ATOM 985 CA ARG A 62 -5.397 -2.611 7.557 1.00 3.12 C ATOM 986 C ARG A 62 -5.146 -1.416 6.619 1.00 3.40 C ATOM 987 O ARG A 62 -5.057 -1.578 5.400 1.00 3.00 O ATOM 988 CB ARG A 62 -4.138 -3.493 7.644 1.00 45.11 C ATOM 989 CG ARG A 62 -4.226 -4.621 8.676 1.00 4.33 C ATOM 990 CD ARG A 62 -3.860 -4.149 10.084 1.00 5.05 C ATOM 991 NE ARG A 62 -4.248 -5.118 11.111 1.00 54.40 N ATOM 992 CZ ARG A 62 -3.619 -6.236 11.369 1.00 54.11 C ATOM 993 NH1 ARG A 62 -2.511 -6.527 10.771 1.00 20.32 N ATOM 994 NH2 ARG A 62 -4.092 -7.053 12.257 1.00 74.35 N ATOM 0 H ARG A 62 -6.261 -4.207 6.492 1.00 45.11 H new ATOM 0 HA ARG A 62 -5.634 -2.222 8.547 1.00 3.12 H new ATOM 0 HB2 ARG A 62 -3.946 -3.928 6.663 1.00 45.11 H new ATOM 0 HB3 ARG A 62 -3.283 -2.862 7.886 1.00 45.11 H new ATOM 0 HG2 ARG A 62 -5.238 -5.026 8.683 1.00 4.33 H new ATOM 0 HG3 ARG A 62 -3.560 -5.432 8.382 1.00 4.33 H new ATOM 0 HD2 ARG A 62 -2.785 -3.975 10.139 1.00 5.05 H new ATOM 0 HD3 ARG A 62 -4.348 -3.195 10.284 1.00 5.05 H new ATOM 0 HE ARG A 62 -5.074 -4.904 11.670 1.00 54.40 H new ATOM 0 HH11 ARG A 62 -2.115 -5.881 10.088 1.00 20.32 H new ATOM 0 HH12 ARG A 62 -2.032 -7.402 10.982 1.00 20.32 H new ATOM 0 HH21 ARG A 62 -4.953 -6.824 12.753 1.00 74.35 H new ATOM 0 HH22 ARG A 62 -3.603 -7.925 12.459 1.00 74.35 H new ATOM 1008 N HIS A 63 -5.048 -0.214 7.188 1.00 54.30 N ATOM 1009 CA HIS A 63 -4.832 1.002 6.393 1.00 34.10 C ATOM 1010 C HIS A 63 -3.625 1.805 6.903 1.00 42.35 C ATOM 1011 O HIS A 63 -3.579 2.207 8.065 1.00 4.54 O ATOM 1012 CB HIS A 63 -6.087 1.882 6.417 1.00 53.44 C ATOM 1013 CG HIS A 63 -7.309 1.193 5.893 1.00 71.13 C ATOM 1014 ND1 HIS A 63 -7.463 0.827 4.570 1.00 12.44 N ATOM 1015 CD2 HIS A 63 -8.443 0.796 6.521 1.00 63.04 C ATOM 1016 CE1 HIS A 63 -8.634 0.242 4.408 1.00 13.12 C ATOM 1017 NE2 HIS A 63 -9.245 0.211 5.573 1.00 45.04 N ATOM 0 H HIS A 63 -5.114 -0.053 8.193 1.00 54.30 H new ATOM 0 HA HIS A 63 -4.624 0.692 5.369 1.00 34.10 H new ATOM 0 HB2 HIS A 63 -6.274 2.207 7.440 1.00 53.44 H new ATOM 0 HB3 HIS A 63 -5.904 2.779 5.826 1.00 53.44 H new ATOM 0 HD1 HIS A 63 -6.777 0.985 3.832 1.00 12.44 H new ATOM 0 HD2 HIS A 63 -8.672 0.917 7.569 1.00 63.04 H new ATOM 0 HE1 HIS A 63 -9.024 -0.145 3.478 1.00 13.12 H new ATOM 1026 N PHE A 64 -2.653 2.042 6.024 1.00 60.11 N ATOM 1027 CA PHE A 64 -1.434 2.777 6.393 1.00 5.15 C ATOM 1028 C PHE A 64 -1.208 3.981 5.464 1.00 62.03 C ATOM 1029 O PHE A 64 -1.202 3.841 4.244 1.00 62.52 O ATOM 1030 CB PHE A 64 -0.222 1.833 6.349 1.00 41.32 C ATOM 1031 CG PHE A 64 -0.431 0.556 7.127 1.00 4.24 C ATOM 1032 CD1 PHE A 64 -0.566 0.582 8.508 1.00 0.31 C ATOM 1033 CD2 PHE A 64 -0.507 -0.667 6.474 1.00 33.23 C ATOM 1034 CE1 PHE A 64 -0.771 -0.586 9.219 1.00 74.23 C ATOM 1035 CE2 PHE A 64 -0.712 -1.835 7.181 1.00 71.45 C ATOM 1036 CZ PHE A 64 -0.844 -1.795 8.554 1.00 42.31 C ATOM 0 H PHE A 64 -2.681 1.738 5.051 1.00 60.11 H new ATOM 0 HA PHE A 64 -1.556 3.157 7.407 1.00 5.15 H new ATOM 0 HB2 PHE A 64 -0.000 1.586 5.311 1.00 41.32 H new ATOM 0 HB3 PHE A 64 0.650 2.353 6.746 1.00 41.32 H new ATOM 0 HD1 PHE A 64 -0.510 1.524 9.033 1.00 0.31 H new ATOM 0 HD2 PHE A 64 -0.404 -0.705 5.400 1.00 33.23 H new ATOM 0 HE1 PHE A 64 -0.874 -0.553 10.294 1.00 74.23 H new ATOM 0 HE2 PHE A 64 -0.769 -2.779 6.660 1.00 71.45 H new ATOM 0 HZ PHE A 64 -1.004 -2.708 9.108 1.00 42.31 H new ATOM 1046 N ILE A 65 -1.017 5.159 6.049 1.00 51.04 N ATOM 1047 CA ILE A 65 -0.864 6.397 5.275 1.00 1.14 C ATOM 1048 C ILE A 65 0.602 6.634 4.868 1.00 43.33 C ATOM 1049 O ILE A 65 1.517 6.423 5.662 1.00 13.22 O ATOM 1050 CB ILE A 65 -1.381 7.615 6.083 1.00 21.54 C ATOM 1051 CG1 ILE A 65 -2.848 7.395 6.502 1.00 44.31 C ATOM 1052 CG2 ILE A 65 -1.240 8.904 5.276 1.00 70.43 C ATOM 1053 CD1 ILE A 65 -3.434 8.523 7.332 1.00 41.44 C ATOM 0 H ILE A 65 -0.964 5.288 7.059 1.00 51.04 H new ATOM 0 HA ILE A 65 -1.459 6.286 4.368 1.00 1.14 H new ATOM 0 HB ILE A 65 -0.773 7.713 6.982 1.00 21.54 H new ATOM 0 HG12 ILE A 65 -3.455 7.265 5.606 1.00 44.31 H new ATOM 0 HG13 ILE A 65 -2.917 6.467 7.070 1.00 44.31 H new ATOM 0 HG21 ILE A 65 -1.609 9.744 5.864 1.00 70.43 H new ATOM 0 HG22 ILE A 65 -0.191 9.067 5.031 1.00 70.43 H new ATOM 0 HG23 ILE A 65 -1.819 8.823 4.356 1.00 70.43 H new ATOM 0 HD11 ILE A 65 -4.468 8.289 7.585 1.00 41.44 H new ATOM 0 HD12 ILE A 65 -2.854 8.640 8.248 1.00 41.44 H new ATOM 0 HD13 ILE A 65 -3.401 9.451 6.760 1.00 41.44 H new ATOM 1065 N ILE A 66 0.813 7.069 3.624 1.00 12.11 N ATOM 1066 CA ILE A 66 2.158 7.332 3.100 1.00 33.30 C ATOM 1067 C ILE A 66 2.541 8.817 3.244 1.00 3.02 C ATOM 1068 O ILE A 66 1.966 9.688 2.580 1.00 53.22 O ATOM 1069 CB ILE A 66 2.258 6.931 1.603 1.00 33.22 C ATOM 1070 CG1 ILE A 66 1.847 5.461 1.410 1.00 62.23 C ATOM 1071 CG2 ILE A 66 3.672 7.170 1.073 1.00 14.11 C ATOM 1072 CD1 ILE A 66 1.833 5.013 -0.038 1.00 43.24 C ATOM 0 H ILE A 66 0.064 7.248 2.955 1.00 12.11 H new ATOM 0 HA ILE A 66 2.850 6.729 3.688 1.00 33.30 H new ATOM 0 HB ILE A 66 1.571 7.557 1.034 1.00 33.22 H new ATOM 0 HG12 ILE A 66 2.533 4.826 1.970 1.00 62.23 H new ATOM 0 HG13 ILE A 66 0.855 5.312 1.836 1.00 62.23 H new ATOM 0 HG21 ILE A 66 3.720 6.883 0.023 1.00 14.11 H new ATOM 0 HG22 ILE A 66 3.924 8.226 1.172 1.00 14.11 H new ATOM 0 HG23 ILE A 66 4.381 6.572 1.646 1.00 14.11 H new ATOM 0 HD11 ILE A 66 1.534 3.966 -0.092 1.00 43.24 H new ATOM 0 HD12 ILE A 66 1.126 5.622 -0.601 1.00 43.24 H new ATOM 0 HD13 ILE A 66 2.830 5.128 -0.464 1.00 43.24 H new ATOM 1084 N GLN A 67 3.508 9.107 4.110 1.00 25.13 N ATOM 1085 CA GLN A 67 4.008 10.475 4.275 1.00 23.21 C ATOM 1086 C GLN A 67 5.162 10.774 3.302 1.00 24.34 C ATOM 1087 O GLN A 67 6.157 10.044 3.246 1.00 40.12 O ATOM 1088 CB GLN A 67 4.467 10.729 5.721 1.00 53.14 C ATOM 1089 CG GLN A 67 3.334 10.739 6.746 1.00 63.21 C ATOM 1090 CD GLN A 67 2.735 9.364 6.985 1.00 21.25 C ATOM 1091 OE1 GLN A 67 3.420 8.355 6.914 1.00 0.02 O ATOM 1092 NE2 GLN A 67 1.451 9.313 7.270 1.00 25.41 N ATOM 0 H GLN A 67 3.962 8.417 4.709 1.00 25.13 H new ATOM 0 HA GLN A 67 3.180 11.147 4.047 1.00 23.21 H new ATOM 0 HB2 GLN A 67 5.188 9.961 6.001 1.00 53.14 H new ATOM 0 HB3 GLN A 67 4.987 11.686 5.762 1.00 53.14 H new ATOM 0 HG2 GLN A 67 3.709 11.134 7.690 1.00 63.21 H new ATOM 0 HG3 GLN A 67 2.550 11.416 6.406 1.00 63.21 H new ATOM 0 HE21 GLN A 67 0.906 10.173 7.322 1.00 25.41 H new ATOM 0 HE22 GLN A 67 1.001 8.413 7.439 1.00 25.41 H new ATOM 1101 N TYR A 68 5.016 11.848 2.529 1.00 71.14 N ATOM 1102 CA TYR A 68 6.065 12.298 1.610 1.00 25.11 C ATOM 1103 C TYR A 68 7.088 13.181 2.349 1.00 61.41 C ATOM 1104 O TYR A 68 6.858 14.372 2.562 1.00 51.10 O ATOM 1105 CB TYR A 68 5.440 13.066 0.435 1.00 14.21 C ATOM 1106 CG TYR A 68 6.449 13.646 -0.544 1.00 32.00 C ATOM 1107 CD1 TYR A 68 7.323 12.823 -1.243 1.00 24.13 C ATOM 1108 CD2 TYR A 68 6.515 15.016 -0.780 1.00 70.42 C ATOM 1109 CE1 TYR A 68 8.233 13.345 -2.143 1.00 12.50 C ATOM 1110 CE2 TYR A 68 7.423 15.546 -1.677 1.00 51.43 C ATOM 1111 CZ TYR A 68 8.277 14.706 -2.357 1.00 5.24 C ATOM 1112 OH TYR A 68 9.183 15.227 -3.253 1.00 42.22 O ATOM 0 H TYR A 68 4.177 12.428 2.520 1.00 71.14 H new ATOM 0 HA TYR A 68 6.588 11.425 1.220 1.00 25.11 H new ATOM 0 HB2 TYR A 68 4.771 12.397 -0.106 1.00 14.21 H new ATOM 0 HB3 TYR A 68 4.829 13.877 0.831 1.00 14.21 H new ATOM 0 HD1 TYR A 68 7.291 11.756 -1.080 1.00 24.13 H new ATOM 0 HD2 TYR A 68 5.844 15.677 -0.252 1.00 70.42 H new ATOM 0 HE1 TYR A 68 8.906 12.690 -2.676 1.00 12.50 H new ATOM 0 HE2 TYR A 68 7.463 16.612 -1.844 1.00 51.43 H new ATOM 0 HH TYR A 68 9.085 16.201 -3.289 1.00 42.22 H new ATOM 1122 N VAL A 69 8.205 12.580 2.754 1.00 1.02 N ATOM 1123 CA VAL A 69 9.221 13.277 3.551 1.00 71.11 C ATOM 1124 C VAL A 69 10.605 13.231 2.880 1.00 23.44 C ATOM 1125 O VAL A 69 11.125 12.153 2.581 1.00 34.14 O ATOM 1126 CB VAL A 69 9.325 12.663 4.972 1.00 53.31 C ATOM 1127 CG1 VAL A 69 10.340 13.421 5.823 1.00 0.11 C ATOM 1128 CG2 VAL A 69 7.954 12.636 5.652 1.00 64.31 C ATOM 0 H VAL A 69 8.433 11.608 2.544 1.00 1.02 H new ATOM 0 HA VAL A 69 8.904 14.317 3.624 1.00 71.11 H new ATOM 0 HB VAL A 69 9.675 11.636 4.871 1.00 53.31 H new ATOM 0 HG11 VAL A 69 10.393 12.970 6.814 1.00 0.11 H new ATOM 0 HG12 VAL A 69 11.320 13.373 5.349 1.00 0.11 H new ATOM 0 HG13 VAL A 69 10.032 14.463 5.915 1.00 0.11 H new ATOM 0 HG21 VAL A 69 8.050 12.202 6.647 1.00 64.31 H new ATOM 0 HG22 VAL A 69 7.569 13.652 5.735 1.00 64.31 H new ATOM 0 HG23 VAL A 69 7.265 12.035 5.059 1.00 64.31 H new ATOM 1138 N ASP A 70 11.186 14.407 2.642 1.00 22.22 N ATOM 1139 CA ASP A 70 12.537 14.526 2.073 1.00 72.34 C ATOM 1140 C ASP A 70 12.688 13.748 0.753 1.00 1.31 C ATOM 1141 O ASP A 70 13.648 12.997 0.564 1.00 13.44 O ATOM 1142 CB ASP A 70 13.580 14.058 3.096 1.00 33.21 C ATOM 1143 CG ASP A 70 13.499 14.838 4.397 1.00 61.14 C ATOM 1144 OD1 ASP A 70 13.374 16.081 4.343 1.00 24.22 O ATOM 1145 OD2 ASP A 70 13.563 14.219 5.478 1.00 61.32 O ATOM 0 H ASP A 70 10.739 15.303 2.836 1.00 22.22 H new ATOM 0 HA ASP A 70 12.703 15.578 1.841 1.00 72.34 H new ATOM 0 HB2 ASP A 70 13.435 12.997 3.301 1.00 33.21 H new ATOM 0 HB3 ASP A 70 14.578 14.167 2.671 1.00 33.21 H new ATOM 1150 N ASN A 71 11.729 13.947 -0.154 1.00 32.32 N ATOM 1151 CA ASN A 71 11.726 13.292 -1.473 1.00 64.24 C ATOM 1152 C ASN A 71 11.532 11.767 -1.369 1.00 61.13 C ATOM 1153 O ASN A 71 11.643 11.054 -2.369 1.00 71.42 O ATOM 1154 CB ASN A 71 13.015 13.603 -2.249 1.00 0.44 C ATOM 1155 CG ASN A 71 13.207 15.089 -2.491 1.00 41.21 C ATOM 1156 OD1 ASN A 71 12.249 15.848 -2.574 1.00 12.45 O ATOM 1157 ND2 ASN A 71 14.447 15.513 -2.615 1.00 15.23 N ATOM 0 H ASN A 71 10.932 14.565 0.000 1.00 32.32 H new ATOM 0 HA ASN A 71 10.875 13.700 -2.018 1.00 64.24 H new ATOM 0 HB2 ASN A 71 13.870 13.215 -1.695 1.00 0.44 H new ATOM 0 HB3 ASN A 71 12.993 13.083 -3.207 1.00 0.44 H new ATOM 0 HD21 ASN A 71 14.633 16.501 -2.786 1.00 15.23 H new ATOM 0 HD22 ASN A 71 15.221 14.853 -2.540 1.00 15.23 H new ATOM 1164 N MET A 72 11.229 11.272 -0.169 1.00 52.24 N ATOM 1165 CA MET A 72 11.031 9.836 0.049 1.00 50.41 C ATOM 1166 C MET A 72 9.651 9.543 0.659 1.00 42.22 C ATOM 1167 O MET A 72 9.228 10.191 1.616 1.00 24.24 O ATOM 1168 CB MET A 72 12.138 9.285 0.962 1.00 3.44 C ATOM 1169 CG MET A 72 13.539 9.466 0.395 1.00 12.45 C ATOM 1170 SD MET A 72 14.817 8.730 1.436 1.00 13.05 S ATOM 1171 CE MET A 72 14.634 9.693 2.940 1.00 43.10 C ATOM 0 H MET A 72 11.115 11.843 0.668 1.00 52.24 H new ATOM 0 HA MET A 72 11.080 9.340 -0.921 1.00 50.41 H new ATOM 0 HB2 MET A 72 12.080 9.781 1.931 1.00 3.44 H new ATOM 0 HB3 MET A 72 11.960 8.224 1.136 1.00 3.44 H new ATOM 0 HG2 MET A 72 13.584 9.019 -0.598 1.00 12.45 H new ATOM 0 HG3 MET A 72 13.743 10.530 0.275 1.00 12.45 H new ATOM 0 HE1 MET A 72 15.525 9.576 3.557 1.00 43.10 H new ATOM 0 HE2 MET A 72 14.504 10.745 2.685 1.00 43.10 H new ATOM 0 HE3 MET A 72 13.762 9.343 3.492 1.00 43.10 H new ATOM 1181 N TYR A 73 8.954 8.567 0.087 1.00 15.54 N ATOM 1182 CA TYR A 73 7.635 8.154 0.576 1.00 14.22 C ATOM 1183 C TYR A 73 7.772 7.067 1.655 1.00 1.54 C ATOM 1184 O TYR A 73 8.300 5.983 1.396 1.00 41.34 O ATOM 1185 CB TYR A 73 6.790 7.639 -0.599 1.00 34.10 C ATOM 1186 CG TYR A 73 6.685 8.626 -1.751 1.00 75.35 C ATOM 1187 CD1 TYR A 73 5.670 9.576 -1.796 1.00 61.20 C ATOM 1188 CD2 TYR A 73 7.608 8.607 -2.791 1.00 45.42 C ATOM 1189 CE1 TYR A 73 5.577 10.474 -2.846 1.00 73.33 C ATOM 1190 CE2 TYR A 73 7.524 9.502 -3.841 1.00 73.24 C ATOM 1191 CZ TYR A 73 6.510 10.433 -3.864 1.00 44.35 C ATOM 1192 OH TYR A 73 6.431 11.327 -4.910 1.00 54.21 O ATOM 0 H TYR A 73 9.281 8.041 -0.723 1.00 15.54 H new ATOM 0 HA TYR A 73 7.139 9.014 1.025 1.00 14.22 H new ATOM 0 HB2 TYR A 73 7.223 6.709 -0.967 1.00 34.10 H new ATOM 0 HB3 TYR A 73 5.788 7.404 -0.240 1.00 34.10 H new ATOM 0 HD1 TYR A 73 4.942 9.614 -0.999 1.00 61.20 H new ATOM 0 HD2 TYR A 73 8.406 7.879 -2.778 1.00 45.42 H new ATOM 0 HE1 TYR A 73 4.780 11.202 -2.869 1.00 73.33 H new ATOM 0 HE2 TYR A 73 8.250 9.471 -4.640 1.00 73.24 H new ATOM 0 HH TYR A 73 7.165 11.161 -5.538 1.00 54.21 H new ATOM 1202 N ARG A 74 7.295 7.360 2.866 1.00 41.40 N ATOM 1203 CA ARG A 74 7.465 6.461 4.018 1.00 1.13 C ATOM 1204 C ARG A 74 6.144 6.238 4.775 1.00 13.22 C ATOM 1205 O ARG A 74 5.289 7.119 4.822 1.00 22.50 O ATOM 1206 CB ARG A 74 8.528 7.042 4.967 1.00 13.34 C ATOM 1207 CG ARG A 74 8.288 8.508 5.322 1.00 33.23 C ATOM 1208 CD ARG A 74 9.427 9.105 6.145 1.00 13.12 C ATOM 1209 NE ARG A 74 9.453 8.603 7.522 1.00 4.12 N ATOM 1210 CZ ARG A 74 9.849 9.309 8.550 1.00 1.31 C ATOM 1211 NH1 ARG A 74 10.276 10.521 8.386 1.00 44.13 N ATOM 1212 NH2 ARG A 74 9.814 8.802 9.740 1.00 10.21 N ATOM 0 H ARG A 74 6.785 8.217 3.079 1.00 41.40 H new ATOM 0 HA ARG A 74 7.791 5.491 3.644 1.00 1.13 H new ATOM 0 HB2 ARG A 74 8.547 6.452 5.884 1.00 13.34 H new ATOM 0 HB3 ARG A 74 9.510 6.944 4.504 1.00 13.34 H new ATOM 0 HG2 ARG A 74 8.165 9.085 4.405 1.00 33.23 H new ATOM 0 HG3 ARG A 74 7.356 8.595 5.881 1.00 33.23 H new ATOM 0 HD2 ARG A 74 10.377 8.878 5.662 1.00 13.12 H new ATOM 0 HD3 ARG A 74 9.329 10.190 6.160 1.00 13.12 H new ATOM 0 HE ARG A 74 9.144 7.645 7.689 1.00 4.12 H new ATOM 0 HH11 ARG A 74 10.305 10.930 7.452 1.00 44.13 H new ATOM 0 HH12 ARG A 74 10.583 11.067 9.191 1.00 44.13 H new ATOM 0 HH21 ARG A 74 9.477 7.849 9.879 1.00 10.21 H new ATOM 0 HH22 ARG A 74 10.123 9.355 10.539 1.00 10.21 H new ATOM 1226 N PHE A 75 5.988 5.047 5.362 1.00 64.11 N ATOM 1227 CA PHE A 75 4.795 4.715 6.161 1.00 3.55 C ATOM 1228 C PHE A 75 4.950 5.152 7.631 1.00 74.42 C ATOM 1229 O PHE A 75 4.025 5.711 8.221 1.00 11.33 O ATOM 1230 CB PHE A 75 4.505 3.209 6.099 1.00 1.23 C ATOM 1231 CG PHE A 75 3.960 2.746 4.770 1.00 33.31 C ATOM 1232 CD1 PHE A 75 2.623 2.945 4.451 1.00 12.10 C ATOM 1233 CD2 PHE A 75 4.774 2.102 3.847 1.00 63.11 C ATOM 1234 CE1 PHE A 75 2.112 2.514 3.243 1.00 72.12 C ATOM 1235 CE2 PHE A 75 4.264 1.672 2.635 1.00 32.20 C ATOM 1236 CZ PHE A 75 2.932 1.878 2.334 1.00 32.23 C ATOM 0 H PHE A 75 6.672 4.293 5.301 1.00 64.11 H new ATOM 0 HA PHE A 75 3.958 5.264 5.730 1.00 3.55 H new ATOM 0 HB2 PHE A 75 5.423 2.663 6.314 1.00 1.23 H new ATOM 0 HB3 PHE A 75 3.791 2.954 6.882 1.00 1.23 H new ATOM 0 HD1 PHE A 75 1.975 3.443 5.157 1.00 12.10 H new ATOM 0 HD2 PHE A 75 5.816 1.935 4.078 1.00 63.11 H new ATOM 0 HE1 PHE A 75 1.070 2.675 3.010 1.00 72.12 H new ATOM 0 HE2 PHE A 75 4.908 1.175 1.924 1.00 32.20 H new ATOM 0 HZ PHE A 75 2.533 1.542 1.388 1.00 32.23 H new ATOM 1246 N GLU A 76 6.105 4.863 8.230 1.00 32.24 N ATOM 1247 CA GLU A 76 6.407 5.340 9.588 1.00 25.32 C ATOM 1248 C GLU A 76 7.900 5.687 9.745 1.00 61.12 C ATOM 1249 O GLU A 76 8.248 6.724 10.317 1.00 20.22 O ATOM 1250 CB GLU A 76 5.979 4.310 10.656 1.00 25.04 C ATOM 1251 CG GLU A 76 6.739 2.984 10.617 1.00 31.11 C ATOM 1252 CD GLU A 76 6.521 2.146 11.872 1.00 51.31 C ATOM 1253 OE1 GLU A 76 7.240 2.369 12.871 1.00 1.41 O ATOM 1254 OE2 GLU A 76 5.638 1.265 11.868 1.00 34.21 O ATOM 0 H GLU A 76 6.845 4.305 7.804 1.00 32.24 H new ATOM 0 HA GLU A 76 5.829 6.251 9.742 1.00 25.32 H new ATOM 0 HB2 GLU A 76 6.108 4.757 11.642 1.00 25.04 H new ATOM 0 HB3 GLU A 76 4.915 4.105 10.536 1.00 25.04 H new ATOM 0 HG2 GLU A 76 6.422 2.413 9.744 1.00 31.11 H new ATOM 0 HG3 GLU A 76 7.804 3.183 10.498 1.00 31.11 H new ATOM 1261 N GLY A 77 8.780 4.826 9.239 1.00 53.01 N ATOM 1262 CA GLY A 77 10.218 5.082 9.312 1.00 40.14 C ATOM 1263 C GLY A 77 10.907 5.003 7.953 1.00 64.30 C ATOM 1264 O GLY A 77 11.133 6.028 7.305 1.00 14.30 O ATOM 0 H GLY A 77 8.527 3.952 8.778 1.00 53.01 H new ATOM 0 HA2 GLY A 77 10.384 6.070 9.741 1.00 40.14 H new ATOM 0 HA3 GLY A 77 10.676 4.360 9.988 1.00 40.14 H new ATOM 1268 N THR A 78 11.223 3.786 7.513 1.00 45.25 N ATOM 1269 CA THR A 78 11.916 3.569 6.235 1.00 44.11 C ATOM 1270 C THR A 78 11.015 3.901 5.036 1.00 24.11 C ATOM 1271 O THR A 78 9.868 3.455 4.961 1.00 22.20 O ATOM 1272 CB THR A 78 12.409 2.104 6.102 1.00 32.13 C ATOM 1273 OG1 THR A 78 13.250 1.759 7.216 1.00 10.10 O ATOM 1274 CG2 THR A 78 13.184 1.898 4.804 1.00 0.21 C ATOM 0 H THR A 78 11.011 2.928 8.023 1.00 45.25 H new ATOM 0 HA THR A 78 12.774 4.242 6.231 1.00 44.11 H new ATOM 0 HB THR A 78 11.531 1.459 6.091 1.00 32.13 H new ATOM 0 HG1 THR A 78 13.554 0.832 7.122 1.00 10.10 H new ATOM 0 HG21 THR A 78 13.516 0.862 4.739 1.00 0.21 H new ATOM 0 HG22 THR A 78 12.539 2.126 3.955 1.00 0.21 H new ATOM 0 HG23 THR A 78 14.051 2.559 4.789 1.00 0.21 H new ATOM 1282 N GLY A 79 11.541 4.688 4.099 1.00 41.23 N ATOM 1283 CA GLY A 79 10.780 5.060 2.910 1.00 2.13 C ATOM 1284 C GLY A 79 11.604 5.023 1.628 1.00 73.11 C ATOM 1285 O GLY A 79 12.835 5.002 1.670 1.00 13.13 O ATOM 0 H GLY A 79 12.483 5.077 4.140 1.00 41.23 H new ATOM 0 HA2 GLY A 79 9.930 4.386 2.806 1.00 2.13 H new ATOM 0 HA3 GLY A 79 10.377 6.064 3.045 1.00 2.13 H new ATOM 1289 N PHE A 80 10.921 5.017 0.483 1.00 72.12 N ATOM 1290 CA PHE A 80 11.585 4.975 -0.828 1.00 74.20 C ATOM 1291 C PHE A 80 11.252 6.223 -1.657 1.00 63.23 C ATOM 1292 O PHE A 80 10.141 6.742 -1.592 1.00 2.21 O ATOM 1293 CB PHE A 80 11.170 3.710 -1.599 1.00 63.24 C ATOM 1294 CG PHE A 80 11.682 2.424 -0.991 1.00 2.03 C ATOM 1295 CD1 PHE A 80 11.067 1.869 0.124 1.00 14.12 C ATOM 1296 CD2 PHE A 80 12.777 1.769 -1.540 1.00 54.34 C ATOM 1297 CE1 PHE A 80 11.533 0.691 0.678 1.00 14.33 C ATOM 1298 CE2 PHE A 80 13.246 0.591 -0.987 1.00 53.34 C ATOM 1299 CZ PHE A 80 12.623 0.053 0.123 1.00 64.50 C ATOM 0 H PHE A 80 9.902 5.041 0.433 1.00 72.12 H new ATOM 0 HA PHE A 80 12.661 4.953 -0.656 1.00 74.20 H new ATOM 0 HB2 PHE A 80 10.082 3.668 -1.649 1.00 63.24 H new ATOM 0 HB3 PHE A 80 11.534 3.786 -2.624 1.00 63.24 H new ATOM 0 HD1 PHE A 80 10.214 2.364 0.564 1.00 14.12 H new ATOM 0 HD2 PHE A 80 13.268 2.184 -2.408 1.00 54.34 H new ATOM 0 HE1 PHE A 80 11.044 0.271 1.544 1.00 14.33 H new ATOM 0 HE2 PHE A 80 14.099 0.092 -1.423 1.00 53.34 H new ATOM 0 HZ PHE A 80 12.989 -0.866 0.556 1.00 64.50 H new ATOM 1309 N SER A 81 12.215 6.688 -2.453 1.00 15.43 N ATOM 1310 CA SER A 81 12.047 7.916 -3.256 1.00 14.22 C ATOM 1311 C SER A 81 10.910 7.807 -4.288 1.00 64.43 C ATOM 1312 O SER A 81 10.418 8.816 -4.790 1.00 40.22 O ATOM 1313 CB SER A 81 13.354 8.265 -3.979 1.00 54.12 C ATOM 1314 OG SER A 81 14.409 8.486 -3.056 1.00 51.45 O ATOM 0 H SER A 81 13.123 6.238 -2.564 1.00 15.43 H new ATOM 0 HA SER A 81 11.781 8.707 -2.555 1.00 14.22 H new ATOM 0 HB2 SER A 81 13.625 7.456 -4.657 1.00 54.12 H new ATOM 0 HB3 SER A 81 13.208 9.157 -4.589 1.00 54.12 H new ATOM 0 HG SER A 81 15.230 8.705 -3.544 1.00 51.45 H new ATOM 1320 N ASN A 82 10.501 6.582 -4.607 1.00 54.23 N ATOM 1321 CA ASN A 82 9.415 6.345 -5.572 1.00 43.55 C ATOM 1322 C ASN A 82 8.275 5.541 -4.930 1.00 4.45 C ATOM 1323 O ASN A 82 8.524 4.524 -4.279 1.00 32.03 O ATOM 1324 CB ASN A 82 9.945 5.587 -6.798 1.00 12.13 C ATOM 1325 CG ASN A 82 10.965 6.387 -7.592 1.00 53.44 C ATOM 1326 OD1 ASN A 82 10.612 7.133 -8.499 1.00 1.43 O ATOM 1327 ND2 ASN A 82 12.233 6.239 -7.268 1.00 14.44 N ATOM 0 H ASN A 82 10.903 5.731 -4.213 1.00 54.23 H new ATOM 0 HA ASN A 82 9.029 7.315 -5.884 1.00 43.55 H new ATOM 0 HB2 ASN A 82 10.399 4.651 -6.472 1.00 12.13 H new ATOM 0 HB3 ASN A 82 9.109 5.327 -7.448 1.00 12.13 H new ATOM 0 HD21 ASN A 82 12.953 6.753 -7.777 1.00 14.44 H new ATOM 0 HD22 ASN A 82 12.495 5.611 -6.508 1.00 14.44 H new ATOM 1334 N ILE A 83 7.026 5.981 -5.131 1.00 42.12 N ATOM 1335 CA ILE A 83 5.857 5.245 -4.614 1.00 73.15 C ATOM 1336 C ILE A 83 5.830 3.794 -5.143 1.00 50.34 C ATOM 1337 O ILE A 83 5.649 2.855 -4.364 1.00 51.23 O ATOM 1338 CB ILE A 83 4.510 5.942 -4.959 1.00 10.34 C ATOM 1339 CG1 ILE A 83 4.480 7.378 -4.416 1.00 71.43 C ATOM 1340 CG2 ILE A 83 3.329 5.135 -4.406 1.00 13.30 C ATOM 1341 CD1 ILE A 83 3.189 8.121 -4.705 1.00 3.01 C ATOM 0 H ILE A 83 6.797 6.833 -5.642 1.00 42.12 H new ATOM 0 HA ILE A 83 5.965 5.236 -3.529 1.00 73.15 H new ATOM 0 HB ILE A 83 4.421 5.987 -6.044 1.00 10.34 H new ATOM 0 HG12 ILE A 83 4.638 7.351 -3.338 1.00 71.43 H new ATOM 0 HG13 ILE A 83 5.312 7.935 -4.846 1.00 71.43 H new ATOM 0 HG21 ILE A 83 2.395 5.638 -4.657 1.00 13.30 H new ATOM 0 HG22 ILE A 83 3.333 4.137 -4.845 1.00 13.30 H new ATOM 0 HG23 ILE A 83 3.418 5.055 -3.323 1.00 13.30 H new ATOM 0 HD11 ILE A 83 3.247 9.127 -4.289 1.00 3.01 H new ATOM 0 HD12 ILE A 83 3.038 8.182 -5.783 1.00 3.01 H new ATOM 0 HD13 ILE A 83 2.353 7.589 -4.251 1.00 3.01 H new ATOM 1353 N PRO A 84 6.006 3.576 -6.475 1.00 33.22 N ATOM 1354 CA PRO A 84 6.104 2.220 -7.037 1.00 31.24 C ATOM 1355 C PRO A 84 7.148 1.355 -6.313 1.00 3.10 C ATOM 1356 O PRO A 84 6.847 0.249 -5.883 1.00 22.00 O ATOM 1357 CB PRO A 84 6.499 2.448 -8.512 1.00 3.23 C ATOM 1358 CG PRO A 84 6.873 3.893 -8.610 1.00 61.15 C ATOM 1359 CD PRO A 84 6.090 4.598 -7.537 1.00 0.15 C ATOM 0 HA PRO A 84 5.167 1.674 -6.927 1.00 31.24 H new ATOM 0 HB2 PRO A 84 7.333 1.807 -8.798 1.00 3.23 H new ATOM 0 HB3 PRO A 84 5.671 2.211 -9.180 1.00 3.23 H new ATOM 0 HG2 PRO A 84 7.945 4.029 -8.464 1.00 61.15 H new ATOM 0 HG3 PRO A 84 6.632 4.292 -9.595 1.00 61.15 H new ATOM 0 HD2 PRO A 84 6.596 5.500 -7.192 1.00 0.15 H new ATOM 0 HD3 PRO A 84 5.103 4.900 -7.888 1.00 0.15 H new ATOM 1367 N GLN A 85 8.369 1.880 -6.153 1.00 73.11 N ATOM 1368 CA GLN A 85 9.458 1.142 -5.485 1.00 43.22 C ATOM 1369 C GLN A 85 9.172 0.889 -3.994 1.00 43.12 C ATOM 1370 O GLN A 85 9.602 -0.122 -3.442 1.00 4.41 O ATOM 1371 CB GLN A 85 10.796 1.882 -5.659 1.00 14.33 C ATOM 1372 CG GLN A 85 11.465 1.625 -7.008 1.00 40.41 C ATOM 1373 CD GLN A 85 11.924 0.180 -7.158 1.00 35.11 C ATOM 1374 OE1 GLN A 85 13.050 -0.162 -6.815 1.00 42.00 O ATOM 1375 NE2 GLN A 85 11.061 -0.680 -7.662 1.00 52.33 N ATOM 0 H GLN A 85 8.631 2.812 -6.475 1.00 73.11 H new ATOM 0 HA GLN A 85 9.523 0.166 -5.966 1.00 43.22 H new ATOM 0 HB2 GLN A 85 10.627 2.953 -5.545 1.00 14.33 H new ATOM 0 HB3 GLN A 85 11.475 1.579 -4.862 1.00 14.33 H new ATOM 0 HG2 GLN A 85 10.767 1.868 -7.809 1.00 40.41 H new ATOM 0 HG3 GLN A 85 12.322 2.290 -7.119 1.00 40.41 H new ATOM 0 HE21 GLN A 85 10.131 -0.366 -7.939 1.00 52.33 H new ATOM 0 HE22 GLN A 85 11.324 -1.659 -7.775 1.00 52.33 H new ATOM 1384 N LEU A 86 8.462 1.806 -3.347 1.00 72.23 N ATOM 1385 CA LEU A 86 8.054 1.620 -1.947 1.00 42.44 C ATOM 1386 C LEU A 86 7.299 0.288 -1.767 1.00 71.35 C ATOM 1387 O LEU A 86 7.702 -0.579 -0.976 1.00 4.11 O ATOM 1388 CB LEU A 86 7.177 2.802 -1.501 1.00 54.52 C ATOM 1389 CG LEU A 86 6.615 2.722 -0.069 1.00 41.04 C ATOM 1390 CD1 LEU A 86 7.739 2.687 0.968 1.00 53.42 C ATOM 1391 CD2 LEU A 86 5.667 3.891 0.199 1.00 4.11 C ATOM 0 H LEU A 86 8.154 2.685 -3.762 1.00 72.23 H new ATOM 0 HA LEU A 86 8.948 1.584 -1.324 1.00 42.44 H new ATOM 0 HB2 LEU A 86 7.762 3.717 -1.590 1.00 54.52 H new ATOM 0 HB3 LEU A 86 6.340 2.890 -2.194 1.00 54.52 H new ATOM 0 HG LEU A 86 6.053 1.792 0.021 1.00 41.04 H new ATOM 0 HD11 LEU A 86 7.310 2.631 1.968 1.00 53.42 H new ATOM 0 HD12 LEU A 86 8.368 1.814 0.793 1.00 53.42 H new ATOM 0 HD13 LEU A 86 8.341 3.591 0.882 1.00 53.42 H new ATOM 0 HD21 LEU A 86 5.279 3.819 1.215 1.00 4.11 H new ATOM 0 HD22 LEU A 86 6.206 4.831 0.082 1.00 4.11 H new ATOM 0 HD23 LEU A 86 4.839 3.857 -0.509 1.00 4.11 H new ATOM 1403 N ILE A 87 6.217 0.126 -2.524 1.00 5.12 N ATOM 1404 CA ILE A 87 5.408 -1.095 -2.483 1.00 73.11 C ATOM 1405 C ILE A 87 6.124 -2.271 -3.173 1.00 65.24 C ATOM 1406 O ILE A 87 6.211 -3.366 -2.619 1.00 5.12 O ATOM 1407 CB ILE A 87 4.029 -0.861 -3.156 1.00 22.34 C ATOM 1408 CG1 ILE A 87 3.254 0.249 -2.421 1.00 31.24 C ATOM 1409 CG2 ILE A 87 3.212 -2.152 -3.205 1.00 53.25 C ATOM 1410 CD1 ILE A 87 2.963 -0.061 -0.966 1.00 72.22 C ATOM 0 H ILE A 87 5.876 0.830 -3.179 1.00 5.12 H new ATOM 0 HA ILE A 87 5.260 -1.349 -1.434 1.00 73.11 H new ATOM 0 HB ILE A 87 4.203 -0.540 -4.183 1.00 22.34 H new ATOM 0 HG12 ILE A 87 3.826 1.175 -2.477 1.00 31.24 H new ATOM 0 HG13 ILE A 87 2.312 0.424 -2.940 1.00 31.24 H new ATOM 0 HG21 ILE A 87 2.251 -1.957 -3.682 1.00 53.25 H new ATOM 0 HG22 ILE A 87 3.755 -2.905 -3.777 1.00 53.25 H new ATOM 0 HG23 ILE A 87 3.047 -2.517 -2.191 1.00 53.25 H new ATOM 0 HD11 ILE A 87 2.415 0.769 -0.520 1.00 72.22 H new ATOM 0 HD12 ILE A 87 2.363 -0.969 -0.900 1.00 72.22 H new ATOM 0 HD13 ILE A 87 3.901 -0.206 -0.430 1.00 72.22 H new ATOM 1422 N ASP A 88 6.641 -2.021 -4.374 1.00 5.31 N ATOM 1423 CA ASP A 88 7.347 -3.040 -5.167 1.00 11.20 C ATOM 1424 C ASP A 88 8.476 -3.705 -4.365 1.00 41.40 C ATOM 1425 O ASP A 88 8.518 -4.928 -4.226 1.00 45.20 O ATOM 1426 CB ASP A 88 7.915 -2.391 -6.440 1.00 10.11 C ATOM 1427 CG ASP A 88 8.657 -3.369 -7.338 1.00 32.35 C ATOM 1428 OD1 ASP A 88 9.883 -3.534 -7.166 1.00 44.44 O ATOM 1429 OD2 ASP A 88 8.018 -3.958 -8.234 1.00 61.30 O ATOM 0 H ASP A 88 6.586 -1.110 -4.829 1.00 5.31 H new ATOM 0 HA ASP A 88 6.633 -3.819 -5.433 1.00 11.20 H new ATOM 0 HB2 ASP A 88 7.099 -1.939 -7.004 1.00 10.11 H new ATOM 0 HB3 ASP A 88 8.591 -1.584 -6.157 1.00 10.11 H new ATOM 1434 N HIS A 89 9.376 -2.893 -3.814 1.00 70.31 N ATOM 1435 CA HIS A 89 10.535 -3.418 -3.090 1.00 0.02 C ATOM 1436 C HIS A 89 10.128 -4.009 -1.731 1.00 45.35 C ATOM 1437 O HIS A 89 10.816 -4.874 -1.197 1.00 35.45 O ATOM 1438 CB HIS A 89 11.607 -2.335 -2.917 1.00 15.23 C ATOM 1439 CG HIS A 89 12.984 -2.890 -2.699 1.00 73.42 C ATOM 1440 ND1 HIS A 89 13.776 -3.350 -3.730 1.00 33.52 N ATOM 1441 CD2 HIS A 89 13.712 -3.065 -1.568 1.00 2.10 C ATOM 1442 CE1 HIS A 89 14.922 -3.782 -3.246 1.00 23.41 C ATOM 1443 NE2 HIS A 89 14.910 -3.619 -1.942 1.00 0.12 N ATOM 0 H HIS A 89 9.327 -1.875 -3.854 1.00 70.31 H new ATOM 0 HA HIS A 89 10.959 -4.226 -3.687 1.00 0.02 H new ATOM 0 HB2 HIS A 89 11.616 -1.698 -3.802 1.00 15.23 H new ATOM 0 HB3 HIS A 89 11.340 -1.702 -2.071 1.00 15.23 H new ATOM 0 HD2 HIS A 89 13.406 -2.815 -0.563 1.00 2.10 H new ATOM 0 HE1 HIS A 89 15.734 -4.199 -3.823 1.00 23.41 H new ATOM 0 HE2 HIS A 89 15.671 -3.865 -1.309 1.00 0.12 H new ATOM 1452 N HIS A 90 9.019 -3.531 -1.155 1.00 53.01 N ATOM 1453 CA HIS A 90 8.439 -4.193 0.025 1.00 54.20 C ATOM 1454 C HIS A 90 7.946 -5.607 -0.332 1.00 23.11 C ATOM 1455 O HIS A 90 8.156 -6.560 0.421 1.00 72.31 O ATOM 1456 CB HIS A 90 7.286 -3.365 0.615 1.00 51.21 C ATOM 1457 CG HIS A 90 7.674 -2.556 1.815 1.00 24.01 C ATOM 1458 ND1 HIS A 90 7.936 -1.203 1.770 1.00 62.05 N ATOM 1459 CD2 HIS A 90 7.823 -2.920 3.111 1.00 43.34 C ATOM 1460 CE1 HIS A 90 8.229 -0.771 2.984 1.00 61.13 C ATOM 1461 NE2 HIS A 90 8.167 -1.793 3.816 1.00 35.02 N ATOM 0 H HIS A 90 8.512 -2.706 -1.476 1.00 53.01 H new ATOM 0 HA HIS A 90 9.223 -4.274 0.778 1.00 54.20 H new ATOM 0 HB2 HIS A 90 6.902 -2.695 -0.154 1.00 51.21 H new ATOM 0 HB3 HIS A 90 6.472 -4.036 0.889 1.00 51.21 H new ATOM 0 HD1 HIS A 90 7.908 -0.625 0.930 1.00 62.05 H new ATOM 0 HD2 HIS A 90 7.695 -3.913 3.515 1.00 43.34 H new ATOM 0 HE1 HIS A 90 8.477 0.246 3.250 1.00 61.13 H new ATOM 1470 N TYR A 91 7.304 -5.725 -1.491 1.00 45.11 N ATOM 1471 CA TYR A 91 6.798 -7.008 -1.989 1.00 20.34 C ATOM 1472 C TYR A 91 7.950 -7.978 -2.301 1.00 10.15 C ATOM 1473 O TYR A 91 7.911 -9.147 -1.915 1.00 3.43 O ATOM 1474 CB TYR A 91 5.944 -6.761 -3.245 1.00 14.12 C ATOM 1475 CG TYR A 91 5.360 -8.017 -3.868 1.00 74.53 C ATOM 1476 CD1 TYR A 91 4.177 -8.573 -3.390 1.00 42.42 C ATOM 1477 CD2 TYR A 91 5.988 -8.639 -4.944 1.00 23.41 C ATOM 1478 CE1 TYR A 91 3.640 -9.707 -3.966 1.00 5.25 C ATOM 1479 CE2 TYR A 91 5.455 -9.776 -5.522 1.00 72.45 C ATOM 1480 CZ TYR A 91 4.282 -10.306 -5.032 1.00 32.31 C ATOM 1481 OH TYR A 91 3.746 -11.435 -5.611 1.00 23.33 O ATOM 0 H TYR A 91 7.118 -4.938 -2.113 1.00 45.11 H new ATOM 0 HA TYR A 91 6.184 -7.469 -1.215 1.00 20.34 H new ATOM 0 HB2 TYR A 91 5.128 -6.086 -2.987 1.00 14.12 H new ATOM 0 HB3 TYR A 91 6.555 -6.252 -3.990 1.00 14.12 H new ATOM 0 HD1 TYR A 91 3.671 -8.110 -2.556 1.00 42.42 H new ATOM 0 HD2 TYR A 91 6.907 -8.226 -5.333 1.00 23.41 H new ATOM 0 HE1 TYR A 91 2.720 -10.125 -3.584 1.00 5.25 H new ATOM 0 HE2 TYR A 91 5.956 -10.247 -6.355 1.00 72.45 H new ATOM 0 HH TYR A 91 4.321 -11.729 -6.348 1.00 23.33 H new ATOM 1491 N THR A 92 8.977 -7.483 -2.989 1.00 73.53 N ATOM 1492 CA THR A 92 10.146 -8.302 -3.355 1.00 5.44 C ATOM 1493 C THR A 92 10.909 -8.795 -2.117 1.00 53.33 C ATOM 1494 O THR A 92 11.350 -9.943 -2.062 1.00 2.33 O ATOM 1495 CB THR A 92 11.132 -7.522 -4.256 1.00 71.54 C ATOM 1496 OG1 THR A 92 11.644 -6.381 -3.553 1.00 60.41 O ATOM 1497 CG2 THR A 92 10.464 -7.065 -5.548 1.00 23.21 C ATOM 0 H THR A 92 9.029 -6.516 -3.308 1.00 73.53 H new ATOM 0 HA THR A 92 9.751 -9.158 -3.902 1.00 5.44 H new ATOM 0 HB THR A 92 11.950 -8.195 -4.512 1.00 71.54 H new ATOM 0 HG1 THR A 92 12.268 -5.894 -4.130 1.00 60.41 H new ATOM 0 HG21 THR A 92 11.185 -6.520 -6.157 1.00 23.21 H new ATOM 0 HG22 THR A 92 10.106 -7.934 -6.100 1.00 23.21 H new ATOM 0 HG23 THR A 92 9.623 -6.413 -5.312 1.00 23.21 H new ATOM 1505 N THR A 93 11.083 -7.916 -1.132 1.00 24.12 N ATOM 1506 CA THR A 93 11.756 -8.287 0.124 1.00 24.14 C ATOM 1507 C THR A 93 10.833 -9.088 1.051 1.00 24.55 C ATOM 1508 O THR A 93 11.299 -9.732 1.997 1.00 32.44 O ATOM 1509 CB THR A 93 12.260 -7.047 0.900 1.00 64.14 C ATOM 1510 OG1 THR A 93 11.155 -6.197 1.248 1.00 61.12 O ATOM 1511 CG2 THR A 93 13.274 -6.255 0.077 1.00 72.03 C ATOM 0 H THR A 93 10.771 -6.946 -1.173 1.00 24.12 H new ATOM 0 HA THR A 93 12.606 -8.903 -0.169 1.00 24.14 H new ATOM 0 HB THR A 93 12.750 -7.398 1.808 1.00 64.14 H new ATOM 0 HG1 THR A 93 10.907 -5.650 0.474 1.00 61.12 H new ATOM 0 HG21 THR A 93 13.610 -5.390 0.648 1.00 72.03 H new ATOM 0 HG22 THR A 93 14.129 -6.890 -0.156 1.00 72.03 H new ATOM 0 HG23 THR A 93 12.808 -5.919 -0.849 1.00 72.03 H new ATOM 1519 N LYS A 94 9.525 -9.039 0.774 1.00 73.23 N ATOM 1520 CA LYS A 94 8.513 -9.712 1.600 1.00 51.24 C ATOM 1521 C LYS A 94 8.574 -9.196 3.053 1.00 35.13 C ATOM 1522 O LYS A 94 8.308 -9.928 4.013 1.00 22.22 O ATOM 1523 CB LYS A 94 8.714 -11.241 1.542 1.00 43.33 C ATOM 1524 CG LYS A 94 7.481 -12.053 1.941 1.00 24.30 C ATOM 1525 CD LYS A 94 6.339 -11.889 0.935 1.00 13.03 C ATOM 1526 CE LYS A 94 5.105 -12.696 1.336 1.00 23.21 C ATOM 1527 NZ LYS A 94 5.402 -14.150 1.460 1.00 2.13 N ATOM 0 H LYS A 94 9.139 -8.535 -0.024 1.00 73.23 H new ATOM 0 HA LYS A 94 7.523 -9.483 1.206 1.00 51.24 H new ATOM 0 HB2 LYS A 94 9.006 -11.519 0.529 1.00 43.33 H new ATOM 0 HB3 LYS A 94 9.541 -11.512 2.198 1.00 43.33 H new ATOM 0 HG2 LYS A 94 7.749 -13.107 2.017 1.00 24.30 H new ATOM 0 HG3 LYS A 94 7.143 -11.738 2.928 1.00 24.30 H new ATOM 0 HD2 LYS A 94 6.073 -10.835 0.856 1.00 13.03 H new ATOM 0 HD3 LYS A 94 6.676 -12.207 -0.052 1.00 13.03 H new ATOM 0 HE2 LYS A 94 4.721 -12.323 2.285 1.00 23.21 H new ATOM 0 HE3 LYS A 94 4.320 -12.549 0.595 1.00 23.21 H new ATOM 0 HZ1 LYS A 94 4.511 -14.681 1.531 1.00 2.13 H new ATOM 0 HZ2 LYS A 94 5.929 -14.469 0.622 1.00 2.13 H new ATOM 0 HZ3 LYS A 94 5.973 -14.316 2.313 1.00 2.13 H new ATOM 1541 N GLN A 95 8.906 -7.914 3.198 1.00 74.23 N ATOM 1542 CA GLN A 95 9.076 -7.290 4.518 1.00 25.14 C ATOM 1543 C GLN A 95 7.807 -6.543 4.968 1.00 45.00 C ATOM 1544 O GLN A 95 6.927 -6.234 4.161 1.00 4.15 O ATOM 1545 CB GLN A 95 10.283 -6.328 4.494 1.00 72.40 C ATOM 1546 CG GLN A 95 11.375 -6.681 5.503 1.00 52.24 C ATOM 1547 CD GLN A 95 10.923 -6.528 6.948 1.00 75.14 C ATOM 1548 OE1 GLN A 95 10.373 -7.449 7.543 1.00 32.25 O ATOM 1549 NE2 GLN A 95 11.153 -5.367 7.526 1.00 63.14 N ATOM 0 H GLN A 95 9.064 -7.280 2.415 1.00 74.23 H new ATOM 0 HA GLN A 95 9.260 -8.085 5.241 1.00 25.14 H new ATOM 0 HB2 GLN A 95 10.714 -6.326 3.493 1.00 72.40 H new ATOM 0 HB3 GLN A 95 9.932 -5.315 4.692 1.00 72.40 H new ATOM 0 HG2 GLN A 95 11.697 -7.709 5.336 1.00 52.24 H new ATOM 0 HG3 GLN A 95 12.242 -6.043 5.330 1.00 52.24 H new ATOM 0 HE21 GLN A 95 11.612 -4.620 7.005 1.00 63.14 H new ATOM 0 HE22 GLN A 95 10.872 -5.215 8.495 1.00 63.14 H new ATOM 1558 N VAL A 96 7.733 -6.248 6.265 1.00 24.42 N ATOM 1559 CA VAL A 96 6.572 -5.570 6.851 1.00 4.33 C ATOM 1560 C VAL A 96 6.429 -4.111 6.372 1.00 62.04 C ATOM 1561 O VAL A 96 7.416 -3.440 6.054 1.00 35.14 O ATOM 1562 CB VAL A 96 6.647 -5.580 8.401 1.00 3.33 C ATOM 1563 CG1 VAL A 96 6.711 -7.011 8.933 1.00 75.42 C ATOM 1564 CG2 VAL A 96 7.841 -4.760 8.895 1.00 15.45 C ATOM 0 H VAL A 96 8.468 -6.469 6.937 1.00 24.42 H new ATOM 0 HA VAL A 96 5.699 -6.128 6.514 1.00 4.33 H new ATOM 0 HB VAL A 96 5.738 -5.117 8.786 1.00 3.33 H new ATOM 0 HG11 VAL A 96 6.763 -6.992 10.022 1.00 75.42 H new ATOM 0 HG12 VAL A 96 5.819 -7.555 8.622 1.00 75.42 H new ATOM 0 HG13 VAL A 96 7.596 -7.508 8.536 1.00 75.42 H new ATOM 0 HG21 VAL A 96 7.872 -4.782 9.984 1.00 15.45 H new ATOM 0 HG22 VAL A 96 8.763 -5.184 8.497 1.00 15.45 H new ATOM 0 HG23 VAL A 96 7.740 -3.729 8.556 1.00 15.45 H new ATOM 1574 N ILE A 97 5.189 -3.632 6.325 1.00 40.54 N ATOM 1575 CA ILE A 97 4.902 -2.235 5.990 1.00 21.32 C ATOM 1576 C ILE A 97 5.177 -1.313 7.189 1.00 11.41 C ATOM 1577 O ILE A 97 6.055 -0.449 7.136 1.00 63.54 O ATOM 1578 CB ILE A 97 3.430 -2.074 5.526 1.00 53.12 C ATOM 1579 CG1 ILE A 97 3.210 -2.810 4.196 1.00 44.41 C ATOM 1580 CG2 ILE A 97 3.043 -0.602 5.398 1.00 54.00 C ATOM 1581 CD1 ILE A 97 4.043 -2.267 3.051 1.00 44.04 C ATOM 0 H ILE A 97 4.359 -4.194 6.516 1.00 40.54 H new ATOM 0 HA ILE A 97 5.563 -1.947 5.173 1.00 21.32 H new ATOM 0 HB ILE A 97 2.786 -2.518 6.285 1.00 53.12 H new ATOM 0 HG12 ILE A 97 3.442 -3.866 4.333 1.00 44.41 H new ATOM 0 HG13 ILE A 97 2.155 -2.748 3.927 1.00 44.41 H new ATOM 0 HG21 ILE A 97 2.006 -0.526 5.071 1.00 54.00 H new ATOM 0 HG22 ILE A 97 3.156 -0.111 6.364 1.00 54.00 H new ATOM 0 HG23 ILE A 97 3.690 -0.118 4.667 1.00 54.00 H new ATOM 0 HD11 ILE A 97 3.833 -2.837 2.146 1.00 44.04 H new ATOM 0 HD12 ILE A 97 3.794 -1.219 2.885 1.00 44.04 H new ATOM 0 HD13 ILE A 97 5.101 -2.354 3.298 1.00 44.04 H new ATOM 1593 N THR A 98 4.410 -1.497 8.261 1.00 43.55 N ATOM 1594 CA THR A 98 4.625 -0.765 9.515 1.00 11.44 C ATOM 1595 C THR A 98 4.877 -1.734 10.673 1.00 53.13 C ATOM 1596 O THR A 98 4.159 -2.722 10.838 1.00 25.21 O ATOM 1597 CB THR A 98 3.419 0.131 9.884 1.00 73.02 C ATOM 1598 OG1 THR A 98 2.224 -0.660 9.988 1.00 42.33 O ATOM 1599 CG2 THR A 98 3.211 1.240 8.859 1.00 1.33 C ATOM 0 H THR A 98 3.628 -2.151 8.290 1.00 43.55 H new ATOM 0 HA THR A 98 5.497 -0.132 9.354 1.00 11.44 H new ATOM 0 HB THR A 98 3.636 0.593 10.847 1.00 73.02 H new ATOM 0 HG1 THR A 98 1.481 -0.189 9.555 1.00 42.33 H new ATOM 0 HG21 THR A 98 2.356 1.849 9.151 1.00 1.33 H new ATOM 0 HG22 THR A 98 4.103 1.865 8.813 1.00 1.33 H new ATOM 0 HG23 THR A 98 3.026 0.800 7.879 1.00 1.33 H new ATOM 1607 N LYS A 99 5.884 -1.437 11.486 1.00 74.41 N ATOM 1608 CA LYS A 99 6.251 -2.287 12.623 1.00 54.31 C ATOM 1609 C LYS A 99 5.133 -2.350 13.680 1.00 13.13 C ATOM 1610 O LYS A 99 5.036 -3.314 14.440 1.00 62.25 O ATOM 1611 CB LYS A 99 7.542 -1.760 13.261 1.00 62.24 C ATOM 1612 CG LYS A 99 8.788 -1.980 12.407 1.00 42.14 C ATOM 1613 CD LYS A 99 9.205 -3.450 12.387 1.00 5.10 C ATOM 1614 CE LYS A 99 10.437 -3.684 11.523 1.00 11.10 C ATOM 1615 NZ LYS A 99 10.959 -5.068 11.665 1.00 65.14 N ATOM 0 H LYS A 99 6.468 -0.607 11.381 1.00 74.41 H new ATOM 0 HA LYS A 99 6.405 -3.299 12.248 1.00 54.31 H new ATOM 0 HB2 LYS A 99 7.430 -0.693 13.456 1.00 62.24 H new ATOM 0 HB3 LYS A 99 7.684 -2.247 14.226 1.00 62.24 H new ATOM 0 HG2 LYS A 99 8.596 -1.642 11.389 1.00 42.14 H new ATOM 0 HG3 LYS A 99 9.607 -1.374 12.795 1.00 42.14 H new ATOM 0 HD2 LYS A 99 9.408 -3.783 13.405 1.00 5.10 H new ATOM 0 HD3 LYS A 99 8.380 -4.055 12.012 1.00 5.10 H new ATOM 0 HE2 LYS A 99 10.189 -3.495 10.479 1.00 11.10 H new ATOM 0 HE3 LYS A 99 11.215 -2.972 11.800 1.00 11.10 H new ATOM 0 HZ1 LYS A 99 11.797 -5.187 11.061 1.00 65.14 H new ATOM 0 HZ2 LYS A 99 11.220 -5.241 12.657 1.00 65.14 H new ATOM 0 HZ3 LYS A 99 10.226 -5.747 11.377 1.00 65.14 H new ATOM 1629 N LYS A 100 4.291 -1.320 13.715 1.00 73.51 N ATOM 1630 CA LYS A 100 3.191 -1.246 14.688 1.00 4.45 C ATOM 1631 C LYS A 100 2.112 -2.325 14.458 1.00 13.34 C ATOM 1632 O LYS A 100 1.401 -2.700 15.391 1.00 44.41 O ATOM 1633 CB LYS A 100 2.560 0.153 14.661 1.00 70.34 C ATOM 1634 CG LYS A 100 2.059 0.588 13.286 1.00 0.03 C ATOM 1635 CD LYS A 100 1.534 2.022 13.309 1.00 64.43 C ATOM 1636 CE LYS A 100 2.611 3.011 13.750 1.00 12.11 C ATOM 1637 NZ LYS A 100 2.067 4.378 13.940 1.00 35.23 N ATOM 0 H LYS A 100 4.345 -0.522 13.082 1.00 73.51 H new ATOM 0 HA LYS A 100 3.621 -1.438 15.671 1.00 4.45 H new ATOM 0 HB2 LYS A 100 1.727 0.177 15.363 1.00 70.34 H new ATOM 0 HB3 LYS A 100 3.294 0.877 15.013 1.00 70.34 H new ATOM 0 HG2 LYS A 100 2.869 0.507 12.561 1.00 0.03 H new ATOM 0 HG3 LYS A 100 1.267 -0.085 12.956 1.00 0.03 H new ATOM 0 HD2 LYS A 100 1.175 2.294 12.316 1.00 64.43 H new ATOM 0 HD3 LYS A 100 0.682 2.087 13.985 1.00 64.43 H new ATOM 0 HE2 LYS A 100 3.059 2.667 14.682 1.00 12.11 H new ATOM 0 HE3 LYS A 100 3.406 3.038 13.005 1.00 12.11 H new ATOM 0 HZ1 LYS A 100 2.831 5.017 14.239 1.00 35.23 H new ATOM 0 HZ2 LYS A 100 1.662 4.718 13.045 1.00 35.23 H new ATOM 0 HZ3 LYS A 100 1.326 4.359 14.670 1.00 35.23 H new ATOM 1651 N SER A 101 1.985 -2.828 13.226 1.00 61.21 N ATOM 1652 CA SER A 101 1.012 -3.902 12.933 1.00 53.04 C ATOM 1653 C SER A 101 1.703 -5.150 12.363 1.00 13.00 C ATOM 1654 O SER A 101 1.291 -6.277 12.634 1.00 14.14 O ATOM 1655 CB SER A 101 -0.083 -3.419 11.967 1.00 53.12 C ATOM 1656 OG SER A 101 -1.013 -4.453 11.682 1.00 21.21 O ATOM 0 H SER A 101 2.532 -2.519 12.422 1.00 61.21 H new ATOM 0 HA SER A 101 0.544 -4.172 13.880 1.00 53.04 H new ATOM 0 HB2 SER A 101 -0.605 -2.567 12.403 1.00 53.12 H new ATOM 0 HB3 SER A 101 0.374 -3.072 11.040 1.00 53.12 H new ATOM 0 HG SER A 101 -1.873 -4.245 12.104 1.00 21.21 H new ATOM 1662 N GLY A 102 2.755 -4.943 11.577 1.00 50.40 N ATOM 1663 CA GLY A 102 3.530 -6.059 11.036 1.00 72.42 C ATOM 1664 C GLY A 102 2.865 -6.758 9.847 1.00 75.44 C ATOM 1665 O GLY A 102 2.918 -7.983 9.725 1.00 14.11 O ATOM 0 H GLY A 102 3.090 -4.020 11.301 1.00 50.40 H new ATOM 0 HA2 GLY A 102 4.509 -5.693 10.728 1.00 72.42 H new ATOM 0 HA3 GLY A 102 3.697 -6.790 11.827 1.00 72.42 H new ATOM 1669 N VAL A 103 2.248 -5.978 8.960 1.00 40.44 N ATOM 1670 CA VAL A 103 1.583 -6.535 7.773 1.00 40.21 C ATOM 1671 C VAL A 103 2.550 -6.640 6.582 1.00 23.15 C ATOM 1672 O VAL A 103 3.274 -5.692 6.271 1.00 64.11 O ATOM 1673 CB VAL A 103 0.361 -5.678 7.360 1.00 62.31 C ATOM 1674 CG1 VAL A 103 -0.383 -6.320 6.188 1.00 1.20 C ATOM 1675 CG2 VAL A 103 -0.572 -5.464 8.549 1.00 71.10 C ATOM 0 H VAL A 103 2.192 -4.962 9.036 1.00 40.44 H new ATOM 0 HA VAL A 103 1.245 -7.535 8.044 1.00 40.21 H new ATOM 0 HB VAL A 103 0.722 -4.703 7.033 1.00 62.31 H new ATOM 0 HG11 VAL A 103 -1.237 -5.700 5.916 1.00 1.20 H new ATOM 0 HG12 VAL A 103 0.289 -6.407 5.334 1.00 1.20 H new ATOM 0 HG13 VAL A 103 -0.732 -7.311 6.478 1.00 1.20 H new ATOM 0 HG21 VAL A 103 -1.424 -4.860 8.239 1.00 71.10 H new ATOM 0 HG22 VAL A 103 -0.925 -6.429 8.913 1.00 71.10 H new ATOM 0 HG23 VAL A 103 -0.034 -4.950 9.346 1.00 71.10 H new ATOM 1685 N VAL A 104 2.558 -7.799 5.926 1.00 42.34 N ATOM 1686 CA VAL A 104 3.423 -8.041 4.765 1.00 33.22 C ATOM 1687 C VAL A 104 2.619 -8.013 3.451 1.00 32.34 C ATOM 1688 O VAL A 104 1.422 -8.302 3.438 1.00 31.10 O ATOM 1689 CB VAL A 104 4.151 -9.401 4.903 1.00 0.41 C ATOM 1690 CG1 VAL A 104 5.090 -9.651 3.727 1.00 53.12 C ATOM 1691 CG2 VAL A 104 4.909 -9.472 6.231 1.00 61.20 C ATOM 0 H VAL A 104 1.971 -8.594 6.179 1.00 42.34 H new ATOM 0 HA VAL A 104 4.162 -7.240 4.734 1.00 33.22 H new ATOM 0 HB VAL A 104 3.396 -10.188 4.894 1.00 0.41 H new ATOM 0 HG11 VAL A 104 5.585 -10.614 3.855 1.00 53.12 H new ATOM 0 HG12 VAL A 104 4.518 -9.658 2.799 1.00 53.12 H new ATOM 0 HG13 VAL A 104 5.839 -8.860 3.685 1.00 53.12 H new ATOM 0 HG21 VAL A 104 5.414 -10.435 6.311 1.00 61.20 H new ATOM 0 HG22 VAL A 104 5.647 -8.670 6.272 1.00 61.20 H new ATOM 0 HG23 VAL A 104 4.207 -9.362 7.057 1.00 61.20 H new ATOM 1701 N LEU A 105 3.282 -7.658 2.347 1.00 51.33 N ATOM 1702 CA LEU A 105 2.626 -7.577 1.034 1.00 55.45 C ATOM 1703 C LEU A 105 2.707 -8.906 0.265 1.00 50.11 C ATOM 1704 O LEU A 105 3.796 -9.403 -0.035 1.00 33.21 O ATOM 1705 CB LEU A 105 3.262 -6.461 0.193 1.00 32.12 C ATOM 1706 CG LEU A 105 3.163 -5.045 0.782 1.00 65.40 C ATOM 1707 CD1 LEU A 105 3.791 -4.028 -0.168 1.00 12.53 C ATOM 1708 CD2 LEU A 105 1.710 -4.681 1.082 1.00 74.53 C ATOM 0 H LEU A 105 4.274 -7.421 2.334 1.00 51.33 H new ATOM 0 HA LEU A 105 1.574 -7.355 1.212 1.00 55.45 H new ATOM 0 HB2 LEU A 105 4.315 -6.699 0.043 1.00 32.12 H new ATOM 0 HB3 LEU A 105 2.792 -6.459 -0.790 1.00 32.12 H new ATOM 0 HG LEU A 105 3.715 -5.025 1.722 1.00 65.40 H new ATOM 0 HD11 LEU A 105 3.713 -3.030 0.264 1.00 12.53 H new ATOM 0 HD12 LEU A 105 4.841 -4.275 -0.323 1.00 12.53 H new ATOM 0 HD13 LEU A 105 3.268 -4.052 -1.124 1.00 12.53 H new ATOM 0 HD21 LEU A 105 1.666 -3.674 1.498 1.00 74.53 H new ATOM 0 HD22 LEU A 105 1.128 -4.719 0.161 1.00 74.53 H new ATOM 0 HD23 LEU A 105 1.298 -5.389 1.801 1.00 74.53 H new ATOM 1720 N LEU A 106 1.547 -9.482 -0.036 1.00 65.53 N ATOM 1721 CA LEU A 106 1.460 -10.696 -0.856 1.00 11.31 C ATOM 1722 C LEU A 106 0.223 -10.652 -1.773 1.00 61.14 C ATOM 1723 O LEU A 106 -0.784 -10.049 -1.420 1.00 62.11 O ATOM 1724 CB LEU A 106 1.434 -11.963 0.025 1.00 44.14 C ATOM 1725 CG LEU A 106 0.312 -12.043 1.082 1.00 11.21 C ATOM 1726 CD1 LEU A 106 0.175 -13.467 1.615 1.00 33.12 C ATOM 1727 CD2 LEU A 106 0.569 -11.076 2.238 1.00 13.14 C ATOM 0 H LEU A 106 0.644 -9.127 0.277 1.00 65.53 H new ATOM 0 HA LEU A 106 2.351 -10.737 -1.482 1.00 11.31 H new ATOM 0 HB2 LEU A 106 1.350 -12.831 -0.628 1.00 44.14 H new ATOM 0 HB3 LEU A 106 2.392 -12.042 0.538 1.00 44.14 H new ATOM 0 HG LEU A 106 -0.620 -11.755 0.595 1.00 11.21 H new ATOM 0 HD11 LEU A 106 -0.621 -13.502 2.359 1.00 33.12 H new ATOM 0 HD12 LEU A 106 -0.066 -14.141 0.793 1.00 33.12 H new ATOM 0 HD13 LEU A 106 1.114 -13.776 2.074 1.00 33.12 H new ATOM 0 HD21 LEU A 106 -0.239 -11.156 2.966 1.00 13.14 H new ATOM 0 HD22 LEU A 106 1.516 -11.326 2.717 1.00 13.14 H new ATOM 0 HD23 LEU A 106 0.614 -10.056 1.856 1.00 13.14 H new ATOM 1739 N ASN A 107 0.315 -11.300 -2.943 1.00 24.21 N ATOM 1740 CA ASN A 107 -0.779 -11.351 -3.944 1.00 4.12 C ATOM 1741 C ASN A 107 -1.560 -10.020 -4.094 1.00 22.40 C ATOM 1742 O ASN A 107 -2.623 -9.837 -3.496 1.00 45.42 O ATOM 1743 CB ASN A 107 -1.746 -12.525 -3.667 1.00 73.41 C ATOM 1744 CG ASN A 107 -2.113 -12.683 -2.199 1.00 33.03 C ATOM 1745 OD1 ASN A 107 -1.525 -13.491 -1.485 1.00 21.44 O ATOM 1746 ND2 ASN A 107 -3.076 -11.915 -1.730 1.00 30.12 N ATOM 0 H ASN A 107 1.151 -11.808 -3.230 1.00 24.21 H new ATOM 0 HA ASN A 107 -0.284 -11.520 -4.900 1.00 4.12 H new ATOM 0 HB2 ASN A 107 -2.658 -12.377 -4.246 1.00 73.41 H new ATOM 0 HB3 ASN A 107 -1.290 -13.450 -4.020 1.00 73.41 H new ATOM 0 HD21 ASN A 107 -3.351 -11.983 -0.750 1.00 30.12 H new ATOM 0 HD22 ASN A 107 -3.547 -11.253 -2.347 1.00 30.12 H new ATOM 1753 N PRO A 108 -1.041 -9.081 -4.916 1.00 43.44 N ATOM 1754 CA PRO A 108 -1.703 -7.788 -5.169 1.00 41.44 C ATOM 1755 C PRO A 108 -2.907 -7.900 -6.123 1.00 51.05 C ATOM 1756 O PRO A 108 -2.918 -8.732 -7.035 1.00 13.40 O ATOM 1757 CB PRO A 108 -0.592 -6.952 -5.813 1.00 20.04 C ATOM 1758 CG PRO A 108 0.280 -7.950 -6.499 1.00 31.23 C ATOM 1759 CD PRO A 108 0.233 -9.202 -5.654 1.00 11.20 C ATOM 0 HA PRO A 108 -2.116 -7.362 -4.255 1.00 41.44 H new ATOM 0 HB2 PRO A 108 -0.999 -6.229 -6.520 1.00 20.04 H new ATOM 0 HB3 PRO A 108 -0.036 -6.388 -5.064 1.00 20.04 H new ATOM 0 HG2 PRO A 108 -0.076 -8.149 -7.510 1.00 31.23 H new ATOM 0 HG3 PRO A 108 1.301 -7.579 -6.588 1.00 31.23 H new ATOM 0 HD2 PRO A 108 0.255 -10.101 -6.270 1.00 11.20 H new ATOM 0 HD3 PRO A 108 1.084 -9.259 -4.976 1.00 11.20 H new ATOM 1767 N ILE A 109 -3.907 -7.043 -5.919 1.00 15.35 N ATOM 1768 CA ILE A 109 -5.101 -7.021 -6.776 1.00 72.43 C ATOM 1769 C ILE A 109 -4.899 -6.089 -7.988 1.00 1.44 C ATOM 1770 O ILE A 109 -4.801 -4.868 -7.826 1.00 55.12 O ATOM 1771 CB ILE A 109 -6.354 -6.566 -5.980 1.00 75.11 C ATOM 1772 CG1 ILE A 109 -6.615 -7.517 -4.800 1.00 34.20 C ATOM 1773 CG2 ILE A 109 -7.580 -6.490 -6.891 1.00 43.53 C ATOM 1774 CD1 ILE A 109 -6.884 -8.953 -5.210 1.00 34.35 C ATOM 0 H ILE A 109 -3.918 -6.353 -5.168 1.00 15.35 H new ATOM 0 HA ILE A 109 -5.258 -8.039 -7.133 1.00 72.43 H new ATOM 0 HB ILE A 109 -6.164 -5.568 -5.585 1.00 75.11 H new ATOM 0 HG12 ILE A 109 -5.753 -7.496 -4.133 1.00 34.20 H new ATOM 0 HG13 ILE A 109 -7.468 -7.147 -4.231 1.00 34.20 H new ATOM 0 HG21 ILE A 109 -8.445 -6.169 -6.311 1.00 43.53 H new ATOM 0 HG22 ILE A 109 -7.394 -5.774 -7.692 1.00 43.53 H new ATOM 0 HG23 ILE A 109 -7.775 -7.472 -7.321 1.00 43.53 H new ATOM 0 HD11 ILE A 109 -7.058 -9.559 -4.321 1.00 34.35 H new ATOM 0 HD12 ILE A 109 -7.764 -8.989 -5.852 1.00 34.35 H new ATOM 0 HD13 ILE A 109 -6.023 -9.344 -5.752 1.00 34.35 H new ATOM 1786 N PRO A 110 -4.832 -6.652 -9.216 1.00 22.34 N ATOM 1787 CA PRO A 110 -4.573 -5.867 -10.439 1.00 5.34 C ATOM 1788 C PRO A 110 -5.751 -4.963 -10.859 1.00 23.24 C ATOM 1789 O PRO A 110 -6.835 -5.015 -10.276 1.00 71.05 O ATOM 1790 CB PRO A 110 -4.313 -6.950 -11.499 1.00 51.44 C ATOM 1791 CG PRO A 110 -5.070 -8.140 -11.015 1.00 73.40 C ATOM 1792 CD PRO A 110 -4.996 -8.092 -9.511 1.00 64.23 C ATOM 0 HA PRO A 110 -3.748 -5.170 -10.296 1.00 5.34 H new ATOM 0 HB2 PRO A 110 -4.659 -6.633 -12.483 1.00 51.44 H new ATOM 0 HB3 PRO A 110 -3.249 -7.168 -11.591 1.00 51.44 H new ATOM 0 HG2 PRO A 110 -6.105 -8.110 -11.356 1.00 73.40 H new ATOM 0 HG3 PRO A 110 -4.634 -9.063 -11.398 1.00 73.40 H new ATOM 0 HD2 PRO A 110 -5.899 -8.495 -9.052 1.00 64.23 H new ATOM 0 HD3 PRO A 110 -4.158 -8.677 -9.132 1.00 64.23 H new