USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 648 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 Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= -0.0447 (180deg=-0.43) USER MOD Single : A 18 GLN : amide:sc=-0.000656 K(o=-0.00066,f=-1.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 27:sc= 0.282 USER MOD Single : A 36 MET CE :methyl 151:sc= -0.215 (180deg=-1.21) USER MOD Single : A 37 SER OG : rot 59:sc= 0.71 USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.0169 (180deg=-0.58) USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.364) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.321 K(o=-0.32,f=-2.1!) USER MOD Single : A 59 TYR OH : rot -139:sc= 0.0888 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 69 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.029) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -86:sc= 0.743 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 83 ASN : amide:sc= -3.51! C(o=-3.5!,f=-14!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 91 THR OG1 : rot 90:sc= -2.33! USER MOD Single : A 92 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 170 N LEU A 10 65.753 2.503 -13.859 1.00 0.00 N ATOM 171 CA LEU A 10 66.432 1.504 -14.677 1.00 0.00 C ATOM 172 C LEU A 10 67.916 1.450 -14.328 1.00 0.00 C ATOM 173 O LEU A 10 68.519 2.462 -13.975 1.00 0.00 O ATOM 174 CB LEU A 10 66.270 1.833 -16.164 1.00 0.00 C ATOM 175 CG LEU A 10 64.785 1.975 -16.507 1.00 0.00 C ATOM 176 CD1 LEU A 10 64.628 2.145 -18.019 1.00 0.00 C ATOM 177 CD2 LEU A 10 64.028 0.722 -16.058 1.00 0.00 C ATOM 0 HA LEU A 10 65.981 0.533 -14.473 1.00 0.00 H new ATOM 0 HB2 LEU A 10 66.797 2.757 -16.400 1.00 0.00 H new ATOM 0 HB3 LEU A 10 66.719 1.046 -16.771 1.00 0.00 H new ATOM 0 HG LEU A 10 64.379 2.846 -15.994 1.00 0.00 H new ATOM 0 HD11 LEU A 10 63.571 2.246 -18.266 1.00 0.00 H new ATOM 0 HD12 LEU A 10 65.163 3.038 -18.342 1.00 0.00 H new ATOM 0 HD13 LEU A 10 65.037 1.272 -18.528 1.00 0.00 H new ATOM 0 HD21 LEU A 10 62.971 0.828 -16.304 1.00 0.00 H new ATOM 0 HD22 LEU A 10 64.434 -0.151 -16.569 1.00 0.00 H new ATOM 0 HD23 LEU A 10 64.139 0.596 -14.981 1.00 0.00 H new ATOM 189 N VAL A 11 68.497 0.259 -14.431 1.00 0.00 N ATOM 190 CA VAL A 11 69.912 0.079 -14.125 1.00 0.00 C ATOM 191 C VAL A 11 70.619 -0.626 -15.278 1.00 0.00 C ATOM 192 O VAL A 11 70.049 -1.503 -15.926 1.00 0.00 O ATOM 193 CB VAL A 11 70.069 -0.745 -12.847 1.00 0.00 C ATOM 194 CG1 VAL A 11 69.557 -2.165 -13.084 1.00 0.00 C ATOM 195 CG2 VAL A 11 71.546 -0.798 -12.454 1.00 0.00 C ATOM 0 H VAL A 11 68.014 -0.591 -14.722 1.00 0.00 H new ATOM 0 HA VAL A 11 70.363 1.061 -13.980 1.00 0.00 H new ATOM 0 HB VAL A 11 69.493 -0.281 -12.046 1.00 0.00 H new ATOM 0 HG11 VAL A 11 69.670 -2.750 -12.171 1.00 0.00 H new ATOM 0 HG12 VAL A 11 68.504 -2.130 -13.364 1.00 0.00 H new ATOM 0 HG13 VAL A 11 70.131 -2.630 -13.886 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.659 -1.385 -11.543 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.120 -1.260 -13.257 1.00 0.00 H new ATOM 0 HG23 VAL A 11 71.913 0.214 -12.281 1.00 0.00 H new ATOM 205 N THR A 12 71.866 -0.238 -15.527 1.00 0.00 N ATOM 206 CA THR A 12 72.639 -0.844 -16.605 1.00 0.00 C ATOM 207 C THR A 12 74.002 -1.306 -16.102 1.00 0.00 C ATOM 208 O THR A 12 74.487 -0.840 -15.071 1.00 0.00 O ATOM 209 CB THR A 12 72.832 0.164 -17.741 1.00 0.00 C ATOM 210 OG1 THR A 12 73.815 1.117 -17.362 1.00 0.00 O ATOM 211 CG2 THR A 12 71.509 0.875 -18.024 1.00 0.00 C ATOM 0 H THR A 12 72.358 0.485 -15.003 1.00 0.00 H new ATOM 0 HA THR A 12 72.088 -1.710 -16.972 1.00 0.00 H new ATOM 0 HB THR A 12 73.159 -0.358 -18.640 1.00 0.00 H new ATOM 0 HG1 THR A 12 73.942 1.763 -18.088 1.00 0.00 H new ATOM 0 HG21 THR A 12 71.647 1.592 -18.833 1.00 0.00 H new ATOM 0 HG22 THR A 12 70.757 0.142 -18.314 1.00 0.00 H new ATOM 0 HG23 THR A 12 71.178 1.399 -17.127 1.00 0.00 H new ATOM 219 N ILE A 13 74.620 -2.219 -16.844 1.00 0.00 N ATOM 220 CA ILE A 13 75.933 -2.732 -16.473 1.00 0.00 C ATOM 221 C ILE A 13 76.937 -2.453 -17.587 1.00 0.00 C ATOM 222 O ILE A 13 76.558 -2.296 -18.747 1.00 0.00 O ATOM 223 CB ILE A 13 75.849 -4.238 -16.201 1.00 0.00 C ATOM 224 CG1 ILE A 13 75.504 -4.983 -17.496 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.761 -4.505 -15.160 1.00 0.00 C ATOM 226 CD1 ILE A 13 75.455 -6.488 -17.220 1.00 0.00 C ATOM 0 H ILE A 13 74.235 -2.617 -17.701 1.00 0.00 H new ATOM 0 HA ILE A 13 76.267 -2.229 -15.566 1.00 0.00 H new ATOM 0 HB ILE A 13 76.811 -4.590 -15.828 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.543 -4.641 -17.880 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.249 -4.767 -18.262 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.699 -5.576 -14.965 1.00 0.00 H new ATOM 0 HG22 ILE A 13 75.005 -3.981 -14.236 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.802 -4.149 -15.536 1.00 0.00 H new ATOM 0 HD11 ILE A 13 75.210 -7.019 -18.140 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.426 -6.823 -16.856 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.694 -6.695 -16.468 1.00 0.00 H new ATOM 238 N LYS A 14 78.216 -2.385 -17.231 1.00 0.00 N ATOM 239 CA LYS A 14 79.250 -2.115 -18.223 1.00 0.00 C ATOM 240 C LYS A 14 80.331 -3.190 -18.183 1.00 0.00 C ATOM 241 O LYS A 14 81.016 -3.357 -17.172 1.00 0.00 O ATOM 242 CB LYS A 14 79.876 -0.746 -17.955 1.00 0.00 C ATOM 243 CG LYS A 14 78.795 0.332 -18.052 1.00 0.00 C ATOM 244 CD LYS A 14 79.430 1.712 -17.892 1.00 0.00 C ATOM 245 CE LYS A 14 78.330 2.773 -17.826 1.00 0.00 C ATOM 246 NZ LYS A 14 78.633 3.862 -18.795 1.00 0.00 N ATOM 0 H LYS A 14 78.558 -2.511 -16.278 1.00 0.00 H new ATOM 0 HA LYS A 14 78.791 -2.121 -19.212 1.00 0.00 H new ATOM 0 HB2 LYS A 14 80.334 -0.730 -16.966 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.669 -0.548 -18.677 1.00 0.00 H new ATOM 0 HG2 LYS A 14 78.285 0.265 -19.013 1.00 0.00 H new ATOM 0 HG3 LYS A 14 78.041 0.176 -17.280 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.035 1.743 -16.986 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.098 1.916 -18.729 1.00 0.00 H new ATOM 0 HE2 LYS A 14 77.363 2.325 -18.056 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.261 3.178 -16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 77.748 4.327 -19.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 79.262 4.560 -18.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.101 3.461 -19.633 1.00 0.00 H new ATOM 260 N ILE A 15 80.485 -3.911 -19.290 1.00 0.00 N ATOM 261 CA ILE A 15 81.497 -4.960 -19.366 1.00 0.00 C ATOM 262 C ILE A 15 82.332 -4.815 -20.635 1.00 0.00 C ATOM 263 O ILE A 15 81.804 -4.873 -21.745 1.00 0.00 O ATOM 264 CB ILE A 15 80.828 -6.334 -19.352 1.00 0.00 C ATOM 265 CG1 ILE A 15 79.962 -6.465 -18.097 1.00 0.00 C ATOM 266 CG2 ILE A 15 81.905 -7.421 -19.341 1.00 0.00 C ATOM 267 CD1 ILE A 15 79.205 -7.794 -18.135 1.00 0.00 C ATOM 0 H ILE A 15 79.930 -3.791 -20.137 1.00 0.00 H new ATOM 0 HA ILE A 15 82.153 -4.864 -18.501 1.00 0.00 H new ATOM 0 HB ILE A 15 80.204 -6.446 -20.239 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.586 -6.415 -17.205 1.00 0.00 H new ATOM 0 HG13 ILE A 15 79.258 -5.635 -18.040 1.00 0.00 H new ATOM 0 HG21 ILE A 15 81.431 -8.403 -19.331 1.00 0.00 H new ATOM 0 HG22 ILE A 15 82.526 -7.327 -20.232 1.00 0.00 H new ATOM 0 HG23 ILE A 15 82.526 -7.309 -18.452 1.00 0.00 H new ATOM 0 HD11 ILE A 15 78.588 -7.887 -17.241 1.00 0.00 H new ATOM 0 HD12 ILE A 15 78.569 -7.825 -19.020 1.00 0.00 H new ATOM 0 HD13 ILE A 15 79.918 -8.618 -18.171 1.00 0.00 H new ATOM 279 N GLY A 16 83.637 -4.636 -20.466 1.00 0.00 N ATOM 280 CA GLY A 16 84.531 -4.494 -21.611 1.00 0.00 C ATOM 281 C GLY A 16 84.396 -3.114 -22.243 1.00 0.00 C ATOM 282 O GLY A 16 84.963 -2.849 -23.304 1.00 0.00 O ATOM 0 H GLY A 16 84.097 -4.586 -19.557 1.00 0.00 H new ATOM 0 HA2 GLY A 16 85.562 -4.653 -21.294 1.00 0.00 H new ATOM 0 HA3 GLY A 16 84.303 -5.261 -22.352 1.00 0.00 H new ATOM 286 N GLY A 17 83.641 -2.237 -21.590 1.00 0.00 N ATOM 287 CA GLY A 17 83.438 -0.888 -22.104 1.00 0.00 C ATOM 288 C GLY A 17 82.154 -0.803 -22.923 1.00 0.00 C ATOM 289 O GLY A 17 81.879 0.215 -23.559 1.00 0.00 O ATOM 0 H GLY A 17 83.163 -2.434 -20.711 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.392 -0.182 -21.275 1.00 0.00 H new ATOM 0 HA3 GLY A 17 84.288 -0.599 -22.722 1.00 0.00 H new ATOM 293 N GLN A 18 81.369 -1.876 -22.902 1.00 0.00 N ATOM 294 CA GLN A 18 80.114 -1.907 -23.646 1.00 0.00 C ATOM 295 C GLN A 18 78.929 -1.747 -22.699 1.00 0.00 C ATOM 296 O GLN A 18 79.010 -2.102 -21.522 1.00 0.00 O ATOM 297 CB GLN A 18 79.984 -3.227 -24.408 1.00 0.00 C ATOM 298 CG GLN A 18 81.099 -3.327 -25.452 1.00 0.00 C ATOM 299 CD GLN A 18 80.999 -4.655 -26.194 1.00 0.00 C ATOM 300 OE1 GLN A 18 80.370 -5.595 -25.706 1.00 0.00 O ATOM 301 NE2 GLN A 18 81.582 -4.790 -27.354 1.00 0.00 N ATOM 0 H GLN A 18 81.577 -2.729 -22.383 1.00 0.00 H new ATOM 0 HA GLN A 18 80.116 -1.080 -24.356 1.00 0.00 H new ATOM 0 HB2 GLN A 18 80.044 -4.066 -23.715 1.00 0.00 H new ATOM 0 HB3 GLN A 18 79.010 -3.284 -24.894 1.00 0.00 H new ATOM 0 HG2 GLN A 18 81.023 -2.500 -26.158 1.00 0.00 H new ATOM 0 HG3 GLN A 18 82.072 -3.244 -24.967 1.00 0.00 H new ATOM 0 HE21 GLN A 18 82.102 -4.011 -27.757 1.00 0.00 H new ATOM 0 HE22 GLN A 18 81.517 -5.675 -27.858 1.00 0.00 H new ATOM 310 N LEU A 19 77.830 -1.211 -23.224 1.00 0.00 N ATOM 311 CA LEU A 19 76.635 -1.007 -22.415 1.00 0.00 C ATOM 312 C LEU A 19 75.645 -2.149 -22.625 1.00 0.00 C ATOM 313 O LEU A 19 75.276 -2.465 -23.756 1.00 0.00 O ATOM 314 CB LEU A 19 75.958 0.317 -22.790 1.00 0.00 C ATOM 315 CG LEU A 19 76.954 1.480 -22.680 1.00 0.00 C ATOM 316 CD1 LEU A 19 77.629 1.455 -21.309 1.00 0.00 C ATOM 317 CD2 LEU A 19 78.022 1.366 -23.773 1.00 0.00 C ATOM 0 H LEU A 19 77.743 -0.913 -24.196 1.00 0.00 H new ATOM 0 HA LEU A 19 76.937 -0.979 -21.368 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.569 0.258 -23.807 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.107 0.496 -22.133 1.00 0.00 H new ATOM 0 HG LEU A 19 76.413 2.418 -22.804 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.335 2.282 -21.236 1.00 0.00 H new ATOM 0 HD12 LEU A 19 76.873 1.553 -20.530 1.00 0.00 H new ATOM 0 HD13 LEU A 19 78.161 0.512 -21.182 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.723 2.196 -23.685 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.559 0.424 -23.660 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.545 1.396 -24.753 1.00 0.00 H new ATOM 329 N LYS A 20 75.212 -2.758 -21.526 1.00 0.00 N ATOM 330 CA LYS A 20 74.257 -3.858 -21.594 1.00 0.00 C ATOM 331 C LYS A 20 73.148 -3.659 -20.568 1.00 0.00 C ATOM 332 O LYS A 20 73.343 -2.990 -19.554 1.00 0.00 O ATOM 333 CB LYS A 20 74.963 -5.191 -21.336 1.00 0.00 C ATOM 334 CG LYS A 20 75.956 -5.474 -22.465 1.00 0.00 C ATOM 335 CD LYS A 20 76.561 -6.867 -22.275 1.00 0.00 C ATOM 336 CE LYS A 20 77.610 -7.123 -23.358 1.00 0.00 C ATOM 337 NZ LYS A 20 76.945 -7.673 -24.573 1.00 0.00 N ATOM 0 H LYS A 20 75.506 -2.510 -20.581 1.00 0.00 H new ATOM 0 HA LYS A 20 73.820 -3.874 -22.593 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.484 -5.158 -20.379 1.00 0.00 H new ATOM 0 HB3 LYS A 20 74.230 -5.996 -21.273 1.00 0.00 H new ATOM 0 HG2 LYS A 20 75.453 -5.413 -23.430 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.744 -4.721 -22.468 1.00 0.00 H new ATOM 0 HD2 LYS A 20 77.016 -6.945 -21.288 1.00 0.00 H new ATOM 0 HD3 LYS A 20 75.779 -7.624 -22.326 1.00 0.00 H new ATOM 0 HE2 LYS A 20 78.129 -6.196 -23.603 1.00 0.00 H new ATOM 0 HE3 LYS A 20 78.362 -7.823 -22.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 77.658 -7.847 -25.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 76.469 -8.566 -24.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 76.244 -6.990 -24.924 1.00 0.00 H new ATOM 351 N GLU A 21 71.989 -4.254 -20.829 1.00 0.00 N ATOM 352 CA GLU A 21 70.865 -4.142 -19.908 1.00 0.00 C ATOM 353 C GLU A 21 70.571 -5.496 -19.272 1.00 0.00 C ATOM 354 O GLU A 21 70.588 -6.525 -19.949 1.00 0.00 O ATOM 355 CB GLU A 21 69.624 -3.640 -20.648 1.00 0.00 C ATOM 356 CG GLU A 21 68.497 -3.397 -19.642 1.00 0.00 C ATOM 357 CD GLU A 21 67.226 -2.981 -20.372 1.00 0.00 C ATOM 358 OE1 GLU A 21 67.257 -2.920 -21.591 1.00 0.00 O ATOM 359 OE2 GLU A 21 66.237 -2.729 -19.702 1.00 0.00 O ATOM 0 H GLU A 21 71.804 -4.813 -21.662 1.00 0.00 H new ATOM 0 HA GLU A 21 71.126 -3.429 -19.126 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.854 -2.719 -21.183 1.00 0.00 H new ATOM 0 HB3 GLU A 21 69.310 -4.371 -21.393 1.00 0.00 H new ATOM 0 HG2 GLU A 21 68.314 -4.302 -19.063 1.00 0.00 H new ATOM 0 HG3 GLU A 21 68.791 -2.621 -18.935 1.00 0.00 H new ATOM 366 N ALA A 22 70.308 -5.492 -17.971 1.00 0.00 N ATOM 367 CA ALA A 22 70.016 -6.732 -17.262 1.00 0.00 C ATOM 368 C ALA A 22 68.982 -6.494 -16.167 1.00 0.00 C ATOM 369 O ALA A 22 68.896 -5.401 -15.608 1.00 0.00 O ATOM 370 CB ALA A 22 71.297 -7.295 -16.642 1.00 0.00 C ATOM 0 H ALA A 22 70.291 -4.654 -17.390 1.00 0.00 H new ATOM 0 HA ALA A 22 69.613 -7.449 -17.977 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.069 -8.221 -16.114 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.025 -7.495 -17.429 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.711 -6.570 -15.941 1.00 0.00 H new ATOM 376 N LEU A 23 68.203 -7.526 -15.866 1.00 0.00 N ATOM 377 CA LEU A 23 67.178 -7.421 -14.835 1.00 0.00 C ATOM 378 C LEU A 23 67.598 -8.184 -13.584 1.00 0.00 C ATOM 379 O LEU A 23 68.166 -9.273 -13.670 1.00 0.00 O ATOM 380 CB LEU A 23 65.855 -7.984 -15.358 1.00 0.00 C ATOM 381 CG LEU A 23 65.478 -7.280 -16.662 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.131 -7.807 -17.158 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.374 -5.773 -16.413 1.00 0.00 C ATOM 0 H LEU A 23 68.260 -8.439 -16.317 1.00 0.00 H new ATOM 0 HA LEU A 23 67.050 -6.369 -14.579 1.00 0.00 H new ATOM 0 HB2 LEU A 23 65.946 -9.057 -15.525 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.069 -7.842 -14.616 1.00 0.00 H new ATOM 0 HG LEU A 23 66.242 -7.475 -17.414 1.00 0.00 H new ATOM 0 HD11 LEU A 23 63.864 -7.304 -18.087 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.203 -8.880 -17.334 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.365 -7.612 -16.407 1.00 0.00 H new ATOM 0 HD21 LEU A 23 65.105 -5.269 -17.341 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.609 -5.580 -15.661 1.00 0.00 H new ATOM 0 HD23 LEU A 23 66.334 -5.396 -16.060 1.00 0.00 H new ATOM 395 N LEU A 24 67.308 -7.611 -12.422 1.00 0.00 N ATOM 396 CA LEU A 24 67.654 -8.256 -11.162 1.00 0.00 C ATOM 397 C LEU A 24 66.482 -9.092 -10.665 1.00 0.00 C ATOM 398 O LEU A 24 65.327 -8.680 -10.763 1.00 0.00 O ATOM 399 CB LEU A 24 68.023 -7.206 -10.114 1.00 0.00 C ATOM 400 CG LEU A 24 69.243 -6.416 -10.590 1.00 0.00 C ATOM 401 CD1 LEU A 24 68.786 -5.188 -11.378 1.00 0.00 C ATOM 402 CD2 LEU A 24 70.063 -5.967 -9.378 1.00 0.00 C ATOM 0 H LEU A 24 66.839 -6.710 -12.326 1.00 0.00 H new ATOM 0 HA LEU A 24 68.513 -8.907 -11.327 1.00 0.00 H new ATOM 0 HB2 LEU A 24 67.183 -6.532 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.238 -7.689 -9.161 1.00 0.00 H new ATOM 0 HG LEU A 24 69.855 -7.049 -11.232 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.658 -4.627 -11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 24 68.202 -5.506 -12.242 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.172 -4.554 -10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.933 -5.404 -9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 24 69.448 -5.335 -8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 24 70.392 -6.842 -8.817 1.00 0.00 H new ATOM 414 N ASP A 25 66.786 -10.273 -10.141 1.00 0.00 N ATOM 415 CA ASP A 25 65.746 -11.164 -9.643 1.00 0.00 C ATOM 416 C ASP A 25 66.330 -12.170 -8.659 1.00 0.00 C ATOM 417 O ASP A 25 67.514 -12.113 -8.328 1.00 0.00 O ATOM 418 CB ASP A 25 65.094 -11.907 -10.810 1.00 0.00 C ATOM 419 CG ASP A 25 63.847 -12.643 -10.331 1.00 0.00 C ATOM 420 OD1 ASP A 25 62.793 -12.030 -10.308 1.00 0.00 O ATOM 421 OD2 ASP A 25 63.966 -13.809 -9.994 1.00 0.00 O ATOM 0 H ASP A 25 67.736 -10.634 -10.050 1.00 0.00 H new ATOM 0 HA ASP A 25 64.995 -10.565 -9.129 1.00 0.00 H new ATOM 0 HB2 ASP A 25 64.829 -11.202 -11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 25 65.801 -12.616 -11.241 1.00 0.00 H new ATOM 426 N THR A 26 65.491 -13.087 -8.191 1.00 0.00 N ATOM 427 CA THR A 26 65.931 -14.099 -7.240 1.00 0.00 C ATOM 428 C THR A 26 67.218 -14.765 -7.712 1.00 0.00 C ATOM 429 O THR A 26 68.061 -15.132 -6.894 1.00 0.00 O ATOM 430 CB THR A 26 64.841 -15.158 -7.062 1.00 0.00 C ATOM 431 OG1 THR A 26 63.622 -14.524 -6.704 1.00 0.00 O ATOM 432 CG2 THR A 26 65.253 -16.136 -5.960 1.00 0.00 C ATOM 0 H THR A 26 64.507 -13.150 -8.453 1.00 0.00 H new ATOM 0 HA THR A 26 66.123 -13.609 -6.285 1.00 0.00 H new ATOM 0 HB THR A 26 64.707 -15.703 -7.996 1.00 0.00 H new ATOM 0 HG1 THR A 26 62.922 -15.201 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 26 64.476 -16.890 -5.834 1.00 0.00 H new ATOM 0 HG22 THR A 26 66.189 -16.622 -6.236 1.00 0.00 H new ATOM 0 HG23 THR A 26 65.388 -15.594 -5.024 1.00 0.00 H new ATOM 440 N GLY A 27 67.375 -14.897 -9.032 1.00 0.00 N ATOM 441 CA GLY A 27 68.572 -15.500 -9.613 1.00 0.00 C ATOM 442 C GLY A 27 69.219 -16.496 -8.668 1.00 0.00 C ATOM 443 O GLY A 27 70.442 -16.612 -8.621 1.00 0.00 O ATOM 0 H GLY A 27 66.684 -14.593 -9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 27 68.310 -16.001 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 27 69.289 -14.717 -9.862 1.00 0.00 H new ATOM 447 N ALA A 28 68.397 -17.210 -7.912 1.00 0.00 N ATOM 448 CA ALA A 28 68.919 -18.190 -6.969 1.00 0.00 C ATOM 449 C ALA A 28 70.194 -17.663 -6.317 1.00 0.00 C ATOM 450 O ALA A 28 70.274 -16.492 -5.950 1.00 0.00 O ATOM 451 CB ALA A 28 69.214 -19.506 -7.692 1.00 0.00 C ATOM 0 H ALA A 28 67.380 -17.132 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 28 68.171 -18.366 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.604 -20.233 -6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.296 -19.890 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 28 69.952 -19.333 -8.475 1.00 0.00 H new ATOM 457 N ASP A 29 71.191 -18.532 -6.181 1.00 0.00 N ATOM 458 CA ASP A 29 72.456 -18.133 -5.576 1.00 0.00 C ATOM 459 C ASP A 29 73.509 -17.862 -6.649 1.00 0.00 C ATOM 460 O ASP A 29 74.670 -17.600 -6.335 1.00 0.00 O ATOM 461 CB ASP A 29 72.952 -19.232 -4.634 1.00 0.00 C ATOM 462 CG ASP A 29 72.012 -19.357 -3.441 1.00 0.00 C ATOM 463 OD1 ASP A 29 71.283 -18.411 -3.185 1.00 0.00 O ATOM 464 OD2 ASP A 29 72.036 -20.393 -2.798 1.00 0.00 O ATOM 0 H ASP A 29 71.149 -19.507 -6.478 1.00 0.00 H new ATOM 0 HA ASP A 29 72.292 -17.216 -5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 29 73.006 -20.182 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 29 73.960 -19.001 -4.291 1.00 0.00 H new ATOM 469 N ASP A 30 73.103 -17.938 -7.913 1.00 0.00 N ATOM 470 CA ASP A 30 74.035 -17.709 -9.016 1.00 0.00 C ATOM 471 C ASP A 30 73.463 -16.724 -10.033 1.00 0.00 C ATOM 472 O ASP A 30 72.314 -16.294 -9.926 1.00 0.00 O ATOM 473 CB ASP A 30 74.350 -19.033 -9.713 1.00 0.00 C ATOM 474 CG ASP A 30 75.130 -19.944 -8.770 1.00 0.00 C ATOM 475 OD1 ASP A 30 75.628 -19.446 -7.775 1.00 0.00 O ATOM 476 OD2 ASP A 30 75.217 -21.126 -9.059 1.00 0.00 O ATOM 0 H ASP A 30 72.148 -18.153 -8.198 1.00 0.00 H new ATOM 0 HA ASP A 30 74.947 -17.282 -8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 30 73.425 -19.521 -10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.930 -18.849 -10.617 1.00 0.00 H new ATOM 481 N THR A 31 74.283 -16.373 -11.022 1.00 0.00 N ATOM 482 CA THR A 31 73.869 -15.440 -12.067 1.00 0.00 C ATOM 483 C THR A 31 74.239 -15.988 -13.443 1.00 0.00 C ATOM 484 O THR A 31 75.183 -16.767 -13.576 1.00 0.00 O ATOM 485 CB THR A 31 74.557 -14.090 -11.854 1.00 0.00 C ATOM 486 OG1 THR A 31 73.991 -13.129 -12.731 1.00 0.00 O ATOM 487 CG2 THR A 31 76.055 -14.225 -12.136 1.00 0.00 C ATOM 0 H THR A 31 75.237 -16.720 -11.121 1.00 0.00 H new ATOM 0 HA THR A 31 72.788 -15.312 -12.015 1.00 0.00 H new ATOM 0 HB THR A 31 74.414 -13.769 -10.822 1.00 0.00 H new ATOM 0 HG1 THR A 31 73.066 -13.379 -12.937 1.00 0.00 H new ATOM 0 HG21 THR A 31 76.542 -13.262 -11.983 1.00 0.00 H new ATOM 0 HG22 THR A 31 76.488 -14.962 -11.459 1.00 0.00 H new ATOM 0 HG23 THR A 31 76.204 -14.548 -13.167 1.00 0.00 H new ATOM 495 N VAL A 32 73.498 -15.572 -14.467 1.00 0.00 N ATOM 496 CA VAL A 32 73.775 -16.034 -15.825 1.00 0.00 C ATOM 497 C VAL A 32 73.643 -14.894 -16.831 1.00 0.00 C ATOM 498 O VAL A 32 72.785 -14.024 -16.690 1.00 0.00 O ATOM 499 CB VAL A 32 72.839 -17.188 -16.198 1.00 0.00 C ATOM 500 CG1 VAL A 32 71.383 -16.724 -16.157 1.00 0.00 C ATOM 501 CG2 VAL A 32 73.172 -17.675 -17.608 1.00 0.00 C ATOM 0 H VAL A 32 72.713 -14.926 -14.386 1.00 0.00 H new ATOM 0 HA VAL A 32 74.804 -16.393 -15.856 1.00 0.00 H new ATOM 0 HB VAL A 32 72.975 -17.998 -15.482 1.00 0.00 H new ATOM 0 HG11 VAL A 32 70.729 -17.554 -16.424 1.00 0.00 H new ATOM 0 HG12 VAL A 32 71.139 -16.379 -15.152 1.00 0.00 H new ATOM 0 HG13 VAL A 32 71.241 -15.908 -16.865 1.00 0.00 H new ATOM 0 HG21 VAL A 32 72.507 -18.496 -17.876 1.00 0.00 H new ATOM 0 HG22 VAL A 32 73.041 -16.857 -18.316 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.206 -18.020 -17.639 1.00 0.00 H new ATOM 511 N ILE A 33 74.508 -14.907 -17.844 1.00 0.00 N ATOM 512 CA ILE A 33 74.490 -13.870 -18.871 1.00 0.00 C ATOM 513 C ILE A 33 74.136 -14.465 -20.232 1.00 0.00 C ATOM 514 O ILE A 33 74.522 -15.590 -20.549 1.00 0.00 O ATOM 515 CB ILE A 33 75.861 -13.188 -18.953 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.247 -12.648 -17.576 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.815 -12.026 -19.951 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.591 -11.921 -17.673 1.00 0.00 C ATOM 0 H ILE A 33 75.226 -15.620 -17.974 1.00 0.00 H new ATOM 0 HA ILE A 33 73.733 -13.134 -18.600 1.00 0.00 H new ATOM 0 HB ILE A 33 76.598 -13.919 -19.285 1.00 0.00 H new ATOM 0 HG12 ILE A 33 75.478 -11.967 -17.212 1.00 0.00 H new ATOM 0 HG13 ILE A 33 76.314 -13.466 -16.858 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.794 -11.550 -20.000 1.00 0.00 H new ATOM 0 HG22 ILE A 33 75.545 -12.404 -20.937 1.00 0.00 H new ATOM 0 HG23 ILE A 33 75.073 -11.297 -19.626 1.00 0.00 H new ATOM 0 HD11 ILE A 33 77.868 -11.535 -16.692 1.00 0.00 H new ATOM 0 HD12 ILE A 33 78.356 -12.616 -18.019 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.507 -11.094 -18.378 1.00 0.00 H new ATOM 530 N GLU A 34 73.403 -13.694 -21.032 1.00 0.00 N ATOM 531 CA GLU A 34 73.006 -14.140 -22.362 1.00 0.00 C ATOM 532 C GLU A 34 74.195 -14.748 -23.101 1.00 0.00 C ATOM 533 O GLU A 34 75.337 -14.327 -22.916 1.00 0.00 O ATOM 534 CB GLU A 34 72.463 -12.952 -23.163 1.00 0.00 C ATOM 535 CG GLU A 34 71.979 -13.426 -24.536 1.00 0.00 C ATOM 536 CD GLU A 34 71.560 -12.228 -25.382 1.00 0.00 C ATOM 537 OE1 GLU A 34 71.673 -11.116 -24.895 1.00 0.00 O ATOM 538 OE2 GLU A 34 71.133 -12.442 -26.505 1.00 0.00 O ATOM 0 H GLU A 34 73.074 -12.761 -20.782 1.00 0.00 H new ATOM 0 HA GLU A 34 72.231 -14.899 -22.257 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.643 -12.482 -22.621 1.00 0.00 H new ATOM 0 HB3 GLU A 34 73.240 -12.197 -23.282 1.00 0.00 H new ATOM 0 HG2 GLU A 34 72.772 -13.978 -25.040 1.00 0.00 H new ATOM 0 HG3 GLU A 34 71.139 -14.111 -24.419 1.00 0.00 H new ATOM 545 N GLU A 35 73.914 -15.743 -23.936 1.00 0.00 N ATOM 546 CA GLU A 35 74.963 -16.409 -24.700 1.00 0.00 C ATOM 547 C GLU A 35 75.834 -15.386 -25.421 1.00 0.00 C ATOM 548 O GLU A 35 75.349 -14.341 -25.854 1.00 0.00 O ATOM 549 CB GLU A 35 74.334 -17.366 -25.720 1.00 0.00 C ATOM 550 CG GLU A 35 73.979 -16.608 -27.006 1.00 0.00 C ATOM 551 CD GLU A 35 73.099 -17.480 -27.895 1.00 0.00 C ATOM 552 OE1 GLU A 35 72.833 -18.607 -27.508 1.00 0.00 O ATOM 553 OE2 GLU A 35 72.701 -17.009 -28.948 1.00 0.00 O ATOM 0 H GLU A 35 72.974 -16.104 -24.100 1.00 0.00 H new ATOM 0 HA GLU A 35 75.590 -16.974 -24.010 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.028 -18.176 -25.946 1.00 0.00 H new ATOM 0 HB3 GLU A 35 73.438 -17.822 -25.298 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.459 -15.682 -26.761 1.00 0.00 H new ATOM 0 HG3 GLU A 35 74.889 -16.332 -27.539 1.00 0.00 H new ATOM 560 N MET A 36 77.122 -15.696 -25.546 1.00 0.00 N ATOM 561 CA MET A 36 78.058 -14.799 -26.215 1.00 0.00 C ATOM 562 C MET A 36 77.766 -13.344 -25.855 1.00 0.00 C ATOM 563 O MET A 36 76.866 -12.721 -26.418 1.00 0.00 O ATOM 564 CB MET A 36 77.965 -14.981 -27.731 1.00 0.00 C ATOM 565 CG MET A 36 79.106 -14.219 -28.408 1.00 0.00 C ATOM 566 SD MET A 36 78.920 -14.320 -30.207 1.00 0.00 S ATOM 567 CE MET A 36 77.448 -13.277 -30.353 1.00 0.00 C ATOM 0 H MET A 36 77.539 -16.558 -25.194 1.00 0.00 H new ATOM 0 HA MET A 36 79.066 -15.046 -25.880 1.00 0.00 H new ATOM 0 HB2 MET A 36 78.020 -16.040 -27.985 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.004 -14.616 -28.093 1.00 0.00 H new ATOM 0 HG2 MET A 36 79.100 -13.177 -28.090 1.00 0.00 H new ATOM 0 HG3 MET A 36 80.066 -14.639 -28.107 1.00 0.00 H new ATOM 0 HE1 MET A 36 77.446 -12.785 -31.326 1.00 0.00 H new ATOM 0 HE2 MET A 36 76.554 -13.893 -30.256 1.00 0.00 H new ATOM 0 HE3 MET A 36 77.456 -12.524 -29.565 1.00 0.00 H new ATOM 577 N SER A 37 78.544 -12.806 -24.921 1.00 0.00 N ATOM 578 CA SER A 37 78.369 -11.421 -24.499 1.00 0.00 C ATOM 579 C SER A 37 79.710 -10.807 -24.125 1.00 0.00 C ATOM 580 O SER A 37 79.770 -9.782 -23.447 1.00 0.00 O ATOM 581 CB SER A 37 77.416 -11.350 -23.303 1.00 0.00 C ATOM 582 OG SER A 37 78.150 -10.995 -22.139 1.00 0.00 O ATOM 0 H SER A 37 79.296 -13.304 -24.445 1.00 0.00 H new ATOM 0 HA SER A 37 77.943 -10.858 -25.329 1.00 0.00 H new ATOM 0 HB2 SER A 37 76.632 -10.616 -23.491 1.00 0.00 H new ATOM 0 HB3 SER A 37 76.924 -12.312 -23.158 1.00 0.00 H new ATOM 0 HG SER A 37 78.593 -10.133 -22.282 1.00 0.00 H new ATOM 588 N LEU A 38 80.780 -11.447 -24.576 1.00 0.00 N ATOM 589 CA LEU A 38 82.129 -10.968 -24.291 1.00 0.00 C ATOM 590 C LEU A 38 83.174 -11.904 -24.912 1.00 0.00 C ATOM 591 O LEU A 38 82.997 -13.122 -24.907 1.00 0.00 O ATOM 592 CB LEU A 38 82.355 -10.886 -22.776 1.00 0.00 C ATOM 593 CG LEU A 38 81.943 -12.203 -22.109 1.00 0.00 C ATOM 594 CD1 LEU A 38 83.193 -12.994 -21.727 1.00 0.00 C ATOM 595 CD2 LEU A 38 81.127 -11.899 -20.850 1.00 0.00 C ATOM 0 H LEU A 38 80.743 -12.297 -25.139 1.00 0.00 H new ATOM 0 HA LEU A 38 82.237 -9.974 -24.726 1.00 0.00 H new ATOM 0 HB2 LEU A 38 83.404 -10.677 -22.568 1.00 0.00 H new ATOM 0 HB3 LEU A 38 81.777 -10.062 -22.358 1.00 0.00 H new ATOM 0 HG LEU A 38 81.341 -12.790 -22.802 1.00 0.00 H new ATOM 0 HD11 LEU A 38 82.900 -13.931 -21.253 1.00 0.00 H new ATOM 0 HD12 LEU A 38 83.776 -13.208 -22.623 1.00 0.00 H new ATOM 0 HD13 LEU A 38 83.796 -12.409 -21.033 1.00 0.00 H new ATOM 0 HD21 LEU A 38 80.832 -12.834 -20.373 1.00 0.00 H new ATOM 0 HD22 LEU A 38 81.731 -11.313 -20.157 1.00 0.00 H new ATOM 0 HD23 LEU A 38 80.236 -11.334 -21.122 1.00 0.00 H new ATOM 607 N PRO A 39 84.255 -11.370 -25.439 1.00 0.00 N ATOM 608 CA PRO A 39 85.334 -12.194 -26.063 1.00 0.00 C ATOM 609 C PRO A 39 86.163 -12.946 -25.024 1.00 0.00 C ATOM 610 O PRO A 39 86.146 -12.608 -23.841 1.00 0.00 O ATOM 611 CB PRO A 39 86.192 -11.168 -26.805 1.00 0.00 C ATOM 612 CG PRO A 39 85.987 -9.884 -26.074 1.00 0.00 C ATOM 613 CD PRO A 39 84.572 -9.930 -25.500 1.00 0.00 C ATOM 0 HA PRO A 39 84.929 -12.969 -26.714 1.00 0.00 H new ATOM 0 HB2 PRO A 39 87.243 -11.459 -26.803 1.00 0.00 H new ATOM 0 HB3 PRO A 39 85.887 -11.080 -27.848 1.00 0.00 H new ATOM 0 HG2 PRO A 39 86.724 -9.769 -25.279 1.00 0.00 H new ATOM 0 HG3 PRO A 39 86.106 -9.033 -26.745 1.00 0.00 H new ATOM 0 HD2 PRO A 39 84.527 -9.470 -24.513 1.00 0.00 H new ATOM 0 HD3 PRO A 39 83.867 -9.393 -26.134 1.00 0.00 H new ATOM 621 N GLY A 40 86.896 -13.961 -25.476 1.00 0.00 N ATOM 622 CA GLY A 40 87.737 -14.742 -24.575 1.00 0.00 C ATOM 623 C GLY A 40 87.406 -16.229 -24.649 1.00 0.00 C ATOM 624 O GLY A 40 86.696 -16.676 -25.549 1.00 0.00 O ATOM 0 H GLY A 40 86.924 -14.259 -26.451 1.00 0.00 H new ATOM 0 HA2 GLY A 40 88.786 -14.589 -24.830 1.00 0.00 H new ATOM 0 HA3 GLY A 40 87.603 -14.389 -23.553 1.00 0.00 H new ATOM 628 N ARG A 41 87.929 -16.988 -23.689 1.00 0.00 N ATOM 629 CA ARG A 41 87.693 -18.427 -23.638 1.00 0.00 C ATOM 630 C ARG A 41 86.901 -18.784 -22.384 1.00 0.00 C ATOM 631 O ARG A 41 86.780 -17.969 -21.469 1.00 0.00 O ATOM 632 CB ARG A 41 89.024 -19.180 -23.633 1.00 0.00 C ATOM 633 CG ARG A 41 89.767 -18.916 -24.946 1.00 0.00 C ATOM 634 CD ARG A 41 91.039 -19.766 -24.987 1.00 0.00 C ATOM 635 NE ARG A 41 92.059 -19.134 -25.830 1.00 0.00 N ATOM 636 CZ ARG A 41 91.790 -18.658 -27.046 1.00 0.00 C ATOM 637 NH1 ARG A 41 90.638 -18.894 -27.612 1.00 0.00 N ATOM 638 NH2 ARG A 41 92.706 -17.995 -27.697 1.00 0.00 N ATOM 0 H ARG A 41 88.518 -16.630 -22.937 1.00 0.00 H new ATOM 0 HA ARG A 41 87.121 -18.717 -24.519 1.00 0.00 H new ATOM 0 HB2 ARG A 41 89.632 -18.858 -22.788 1.00 0.00 H new ATOM 0 HB3 ARG A 41 88.849 -20.249 -23.511 1.00 0.00 H new ATOM 0 HG2 ARG A 41 89.127 -19.158 -25.794 1.00 0.00 H new ATOM 0 HG3 ARG A 41 90.019 -17.859 -25.028 1.00 0.00 H new ATOM 0 HD2 ARG A 41 91.426 -19.898 -23.977 1.00 0.00 H new ATOM 0 HD3 ARG A 41 90.806 -20.759 -25.372 1.00 0.00 H new ATOM 0 HE ARG A 41 93.011 -19.056 -25.472 1.00 0.00 H new ATOM 0 HH11 ARG A 41 89.934 -19.447 -27.124 1.00 0.00 H new ATOM 0 HH12 ARG A 41 90.442 -18.525 -28.543 1.00 0.00 H new ATOM 0 HH21 ARG A 41 93.622 -17.843 -27.275 1.00 0.00 H new ATOM 0 HH22 ARG A 41 92.506 -17.629 -28.628 1.00 0.00 H new ATOM 652 N TRP A 42 86.354 -19.995 -22.346 1.00 0.00 N ATOM 653 CA TRP A 42 85.571 -20.420 -21.190 1.00 0.00 C ATOM 654 C TRP A 42 85.901 -21.857 -20.795 1.00 0.00 C ATOM 655 O TRP A 42 86.629 -22.556 -21.499 1.00 0.00 O ATOM 656 CB TRP A 42 84.082 -20.314 -21.511 1.00 0.00 C ATOM 657 CG TRP A 42 83.578 -21.645 -21.964 1.00 0.00 C ATOM 658 CD1 TRP A 42 83.003 -22.562 -21.160 1.00 0.00 C ATOM 659 CD2 TRP A 42 83.596 -22.226 -23.298 1.00 0.00 C ATOM 660 NE1 TRP A 42 82.649 -23.660 -21.916 1.00 0.00 N ATOM 661 CE2 TRP A 42 82.998 -23.505 -23.240 1.00 0.00 C ATOM 662 CE3 TRP A 42 84.063 -21.771 -24.538 1.00 0.00 C ATOM 663 CZ2 TRP A 42 82.868 -24.307 -24.374 1.00 0.00 C ATOM 664 CZ3 TRP A 42 83.937 -22.576 -25.684 1.00 0.00 C ATOM 665 CH2 TRP A 42 83.341 -23.840 -25.601 1.00 0.00 C ATOM 0 H TRP A 42 86.436 -20.689 -23.089 1.00 0.00 H new ATOM 0 HA TRP A 42 85.821 -19.767 -20.354 1.00 0.00 H new ATOM 0 HB2 TRP A 42 83.531 -19.984 -20.630 1.00 0.00 H new ATOM 0 HB3 TRP A 42 83.918 -19.567 -22.288 1.00 0.00 H new ATOM 0 HD1 TRP A 42 82.845 -22.454 -20.097 1.00 0.00 H new ATOM 0 HE1 TRP A 42 82.185 -24.487 -21.540 1.00 0.00 H new ATOM 0 HE3 TRP A 42 84.522 -20.797 -24.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 82.406 -25.280 -24.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 84.302 -22.217 -26.635 1.00 0.00 H new ATOM 0 HH2 TRP A 42 83.247 -24.453 -26.485 1.00 0.00 H new ATOM 676 N LYS A 43 85.359 -22.284 -19.658 1.00 0.00 N ATOM 677 CA LYS A 43 85.597 -23.636 -19.163 1.00 0.00 C ATOM 678 C LYS A 43 84.340 -24.504 -19.325 1.00 0.00 C ATOM 679 O LYS A 43 83.326 -24.245 -18.675 1.00 0.00 O ATOM 680 CB LYS A 43 85.978 -23.577 -17.682 1.00 0.00 C ATOM 681 CG LYS A 43 87.469 -23.881 -17.527 1.00 0.00 C ATOM 682 CD LYS A 43 87.868 -23.746 -16.057 1.00 0.00 C ATOM 683 CE LYS A 43 89.393 -23.723 -15.943 1.00 0.00 C ATOM 684 NZ LYS A 43 89.966 -24.855 -16.725 1.00 0.00 N ATOM 0 H LYS A 43 84.755 -21.716 -19.064 1.00 0.00 H new ATOM 0 HA LYS A 43 86.408 -24.079 -19.742 1.00 0.00 H new ATOM 0 HB2 LYS A 43 85.753 -22.591 -17.277 1.00 0.00 H new ATOM 0 HB3 LYS A 43 85.388 -24.297 -17.115 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.684 -24.889 -17.882 1.00 0.00 H new ATOM 0 HG3 LYS A 43 88.056 -23.196 -18.138 1.00 0.00 H new ATOM 0 HD2 LYS A 43 87.447 -22.832 -15.637 1.00 0.00 H new ATOM 0 HD3 LYS A 43 87.462 -24.578 -15.481 1.00 0.00 H new ATOM 0 HE2 LYS A 43 89.782 -22.776 -16.316 1.00 0.00 H new ATOM 0 HE3 LYS A 43 89.692 -23.801 -14.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 90.937 -25.042 -16.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 89.384 -25.705 -16.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 89.977 -24.609 -17.735 1.00 0.00 H new ATOM 698 N PRO A 44 84.373 -25.523 -20.163 1.00 0.00 N ATOM 699 CA PRO A 44 83.193 -26.416 -20.370 1.00 0.00 C ATOM 700 C PRO A 44 82.601 -26.905 -19.052 1.00 0.00 C ATOM 701 O PRO A 44 83.249 -27.634 -18.302 1.00 0.00 O ATOM 702 CB PRO A 44 83.748 -27.587 -21.182 1.00 0.00 C ATOM 703 CG PRO A 44 84.977 -27.075 -21.855 1.00 0.00 C ATOM 704 CD PRO A 44 85.517 -25.930 -20.999 1.00 0.00 C ATOM 0 HA PRO A 44 82.378 -25.895 -20.873 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.981 -28.434 -20.536 1.00 0.00 H new ATOM 0 HB3 PRO A 44 83.019 -27.935 -21.914 1.00 0.00 H new ATOM 0 HG2 PRO A 44 85.720 -27.866 -21.952 1.00 0.00 H new ATOM 0 HG3 PRO A 44 84.748 -26.727 -22.862 1.00 0.00 H new ATOM 0 HD2 PRO A 44 86.360 -26.254 -20.388 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.870 -25.105 -21.617 1.00 0.00 H new ATOM 712 N LYS A 45 81.362 -26.502 -18.783 1.00 0.00 N ATOM 713 CA LYS A 45 80.683 -26.907 -17.556 1.00 0.00 C ATOM 714 C LYS A 45 79.245 -27.310 -17.861 1.00 0.00 C ATOM 715 O LYS A 45 78.596 -26.715 -18.723 1.00 0.00 O ATOM 716 CB LYS A 45 80.696 -25.761 -16.543 1.00 0.00 C ATOM 717 CG LYS A 45 80.177 -26.267 -15.196 1.00 0.00 C ATOM 718 CD LYS A 45 80.142 -25.110 -14.193 1.00 0.00 C ATOM 719 CE LYS A 45 79.762 -25.638 -12.807 1.00 0.00 C ATOM 720 NZ LYS A 45 78.286 -25.541 -12.625 1.00 0.00 N ATOM 0 H LYS A 45 80.811 -25.899 -19.394 1.00 0.00 H new ATOM 0 HA LYS A 45 81.210 -27.762 -17.132 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.708 -25.371 -16.432 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.075 -24.939 -16.899 1.00 0.00 H new ATOM 0 HG2 LYS A 45 79.179 -26.690 -15.314 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.819 -27.065 -14.824 1.00 0.00 H new ATOM 0 HD2 LYS A 45 81.116 -24.622 -14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.422 -24.358 -14.516 1.00 0.00 H new ATOM 0 HE2 LYS A 45 80.085 -26.674 -12.700 1.00 0.00 H new ATOM 0 HE3 LYS A 45 80.273 -25.063 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 78.072 -24.826 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 77.843 -25.266 -13.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 77.912 -26.463 -12.322 1.00 0.00 H new ATOM 734 N MET A 46 78.751 -28.323 -17.158 1.00 0.00 N ATOM 735 CA MET A 46 77.387 -28.793 -17.373 1.00 0.00 C ATOM 736 C MET A 46 76.584 -28.714 -16.078 1.00 0.00 C ATOM 737 O MET A 46 77.126 -28.907 -14.990 1.00 0.00 O ATOM 738 CB MET A 46 77.412 -30.240 -17.867 1.00 0.00 C ATOM 739 CG MET A 46 78.494 -30.397 -18.937 1.00 0.00 C ATOM 740 SD MET A 46 78.181 -29.235 -20.288 1.00 0.00 S ATOM 741 CE MET A 46 79.343 -29.945 -21.479 1.00 0.00 C ATOM 0 H MET A 46 79.269 -28.831 -16.441 1.00 0.00 H new ATOM 0 HA MET A 46 76.914 -28.157 -18.121 1.00 0.00 H new ATOM 0 HB2 MET A 46 77.608 -30.916 -17.035 1.00 0.00 H new ATOM 0 HB3 MET A 46 76.439 -30.512 -18.276 1.00 0.00 H new ATOM 0 HG2 MET A 46 79.477 -30.212 -18.505 1.00 0.00 H new ATOM 0 HG3 MET A 46 78.500 -31.419 -19.316 1.00 0.00 H new ATOM 0 HE1 MET A 46 79.312 -29.370 -22.405 1.00 0.00 H new ATOM 0 HE2 MET A 46 80.351 -29.914 -21.066 1.00 0.00 H new ATOM 0 HE3 MET A 46 79.067 -30.979 -21.685 1.00 0.00 H new ATOM 751 N ILE A 47 75.285 -28.447 -16.200 1.00 0.00 N ATOM 752 CA ILE A 47 74.423 -28.367 -15.026 1.00 0.00 C ATOM 753 C ILE A 47 73.156 -29.192 -15.232 1.00 0.00 C ATOM 754 O ILE A 47 72.708 -29.388 -16.364 1.00 0.00 O ATOM 755 CB ILE A 47 74.059 -26.909 -14.734 1.00 0.00 C ATOM 756 CG1 ILE A 47 73.217 -26.336 -15.882 1.00 0.00 C ATOM 757 CG2 ILE A 47 75.341 -26.086 -14.584 1.00 0.00 C ATOM 758 CD1 ILE A 47 72.767 -24.918 -15.525 1.00 0.00 C ATOM 0 H ILE A 47 74.812 -28.284 -17.089 1.00 0.00 H new ATOM 0 HA ILE A 47 74.966 -28.773 -14.173 1.00 0.00 H new ATOM 0 HB ILE A 47 73.481 -26.864 -13.811 1.00 0.00 H new ATOM 0 HG12 ILE A 47 73.799 -26.323 -16.803 1.00 0.00 H new ATOM 0 HG13 ILE A 47 72.349 -26.970 -16.062 1.00 0.00 H new ATOM 0 HG21 ILE A 47 75.084 -25.047 -14.376 1.00 0.00 H new ATOM 0 HG22 ILE A 47 75.935 -26.485 -13.762 1.00 0.00 H new ATOM 0 HG23 ILE A 47 75.918 -26.139 -15.507 1.00 0.00 H new ATOM 0 HD11 ILE A 47 72.169 -24.510 -16.340 1.00 0.00 H new ATOM 0 HD12 ILE A 47 72.169 -24.945 -14.614 1.00 0.00 H new ATOM 0 HD13 ILE A 47 73.642 -24.288 -15.366 1.00 0.00 H new ATOM 817 N PHE A 53 69.524 -31.210 -18.683 1.00 0.00 N ATOM 818 CA PHE A 53 70.865 -30.676 -18.481 1.00 0.00 C ATOM 819 C PHE A 53 71.253 -29.739 -19.621 1.00 0.00 C ATOM 820 O PHE A 53 71.079 -30.070 -20.794 1.00 0.00 O ATOM 821 CB PHE A 53 71.875 -31.823 -18.405 1.00 0.00 C ATOM 822 CG PHE A 53 71.978 -32.486 -19.758 1.00 0.00 C ATOM 823 CD1 PHE A 53 71.064 -33.481 -20.122 1.00 0.00 C ATOM 824 CD2 PHE A 53 72.988 -32.102 -20.650 1.00 0.00 C ATOM 825 CE1 PHE A 53 71.160 -34.094 -21.378 1.00 0.00 C ATOM 826 CE2 PHE A 53 73.083 -32.714 -21.905 1.00 0.00 C ATOM 827 CZ PHE A 53 72.168 -33.710 -22.269 1.00 0.00 C ATOM 0 HA PHE A 53 70.871 -30.115 -17.546 1.00 0.00 H new ATOM 0 HB2 PHE A 53 72.850 -31.445 -18.097 1.00 0.00 H new ATOM 0 HB3 PHE A 53 71.563 -32.549 -17.654 1.00 0.00 H new ATOM 0 HD1 PHE A 53 70.285 -33.776 -19.435 1.00 0.00 H new ATOM 0 HD2 PHE A 53 73.693 -31.334 -20.369 1.00 0.00 H new ATOM 0 HE1 PHE A 53 70.456 -34.863 -21.659 1.00 0.00 H new ATOM 0 HE2 PHE A 53 73.862 -32.418 -22.593 1.00 0.00 H new ATOM 0 HZ PHE A 53 72.241 -34.182 -23.238 1.00 0.00 H new ATOM 837 N ILE A 54 71.783 -28.572 -19.271 1.00 0.00 N ATOM 838 CA ILE A 54 72.198 -27.594 -20.272 1.00 0.00 C ATOM 839 C ILE A 54 73.705 -27.401 -20.240 1.00 0.00 C ATOM 840 O ILE A 54 74.321 -27.425 -19.174 1.00 0.00 O ATOM 841 CB ILE A 54 71.526 -26.246 -20.005 1.00 0.00 C ATOM 842 CG1 ILE A 54 70.021 -26.356 -20.243 1.00 0.00 C ATOM 843 CG2 ILE A 54 72.111 -25.192 -20.944 1.00 0.00 C ATOM 844 CD1 ILE A 54 69.309 -25.186 -19.563 1.00 0.00 C ATOM 0 H ILE A 54 71.935 -28.280 -18.306 1.00 0.00 H new ATOM 0 HA ILE A 54 71.900 -27.970 -21.251 1.00 0.00 H new ATOM 0 HB ILE A 54 71.705 -25.957 -18.969 1.00 0.00 H new ATOM 0 HG12 ILE A 54 69.810 -26.352 -21.312 1.00 0.00 H new ATOM 0 HG13 ILE A 54 69.648 -27.301 -19.848 1.00 0.00 H new ATOM 0 HG21 ILE A 54 71.633 -24.231 -20.755 1.00 0.00 H new ATOM 0 HG22 ILE A 54 73.183 -25.105 -20.770 1.00 0.00 H new ATOM 0 HG23 ILE A 54 71.934 -25.488 -21.978 1.00 0.00 H new ATOM 0 HD11 ILE A 54 68.235 -25.265 -19.733 1.00 0.00 H new ATOM 0 HD12 ILE A 54 69.509 -25.211 -18.492 1.00 0.00 H new ATOM 0 HD13 ILE A 54 69.674 -24.247 -19.979 1.00 0.00 H new ATOM 856 N LYS A 55 74.294 -27.184 -21.410 1.00 0.00 N ATOM 857 CA LYS A 55 75.725 -26.958 -21.489 1.00 0.00 C ATOM 858 C LYS A 55 76.012 -25.493 -21.190 1.00 0.00 C ATOM 859 O LYS A 55 75.785 -24.623 -22.029 1.00 0.00 O ATOM 860 CB LYS A 55 76.240 -27.321 -22.882 1.00 0.00 C ATOM 861 CG LYS A 55 75.990 -28.808 -23.145 1.00 0.00 C ATOM 862 CD LYS A 55 76.702 -29.226 -24.432 1.00 0.00 C ATOM 863 CE LYS A 55 76.085 -28.487 -25.621 1.00 0.00 C ATOM 864 NZ LYS A 55 76.340 -29.256 -26.872 1.00 0.00 N ATOM 0 H LYS A 55 73.806 -27.160 -22.306 1.00 0.00 H new ATOM 0 HA LYS A 55 76.235 -27.587 -20.759 1.00 0.00 H new ATOM 0 HB2 LYS A 55 75.736 -26.717 -23.637 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.305 -27.101 -22.957 1.00 0.00 H new ATOM 0 HG2 LYS A 55 76.353 -29.402 -22.307 1.00 0.00 H new ATOM 0 HG3 LYS A 55 74.920 -28.998 -23.231 1.00 0.00 H new ATOM 0 HD2 LYS A 55 77.766 -28.999 -24.362 1.00 0.00 H new ATOM 0 HD3 LYS A 55 76.615 -30.303 -24.575 1.00 0.00 H new ATOM 0 HE2 LYS A 55 75.013 -28.364 -25.469 1.00 0.00 H new ATOM 0 HE3 LYS A 55 76.512 -27.487 -25.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.920 -28.753 -27.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 77.365 -29.351 -27.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 75.912 -30.201 -26.792 1.00 0.00 H new ATOM 878 N VAL A 56 76.486 -25.228 -19.981 1.00 0.00 N ATOM 879 CA VAL A 56 76.773 -23.864 -19.565 1.00 0.00 C ATOM 880 C VAL A 56 78.268 -23.574 -19.615 1.00 0.00 C ATOM 881 O VAL A 56 79.092 -24.417 -19.256 1.00 0.00 O ATOM 882 CB VAL A 56 76.246 -23.642 -18.148 1.00 0.00 C ATOM 883 CG1 VAL A 56 76.712 -22.279 -17.632 1.00 0.00 C ATOM 884 CG2 VAL A 56 74.718 -23.679 -18.169 1.00 0.00 C ATOM 0 H VAL A 56 76.679 -25.937 -19.274 1.00 0.00 H new ATOM 0 HA VAL A 56 76.276 -23.182 -20.254 1.00 0.00 H new ATOM 0 HB VAL A 56 76.626 -24.425 -17.492 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.334 -22.124 -16.621 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.801 -22.247 -17.621 1.00 0.00 H new ATOM 0 HG13 VAL A 56 76.333 -21.493 -18.285 1.00 0.00 H new ATOM 0 HG21 VAL A 56 74.336 -23.521 -17.160 1.00 0.00 H new ATOM 0 HG22 VAL A 56 74.344 -22.893 -18.826 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.383 -24.649 -18.536 1.00 0.00 H new ATOM 894 N ARG A 57 78.606 -22.372 -20.067 1.00 0.00 N ATOM 895 CA ARG A 57 80.000 -21.970 -20.168 1.00 0.00 C ATOM 896 C ARG A 57 80.404 -21.139 -18.952 1.00 0.00 C ATOM 897 O ARG A 57 79.725 -20.178 -18.588 1.00 0.00 O ATOM 898 CB ARG A 57 80.212 -21.155 -21.447 1.00 0.00 C ATOM 899 CG ARG A 57 79.942 -22.039 -22.666 1.00 0.00 C ATOM 900 CD ARG A 57 80.302 -21.275 -23.942 1.00 0.00 C ATOM 901 NE ARG A 57 79.567 -20.018 -24.009 1.00 0.00 N ATOM 902 CZ ARG A 57 79.940 -19.049 -24.838 1.00 0.00 C ATOM 903 NH1 ARG A 57 80.984 -19.214 -25.605 1.00 0.00 N ATOM 904 NH2 ARG A 57 79.266 -17.933 -24.885 1.00 0.00 N ATOM 0 H ARG A 57 77.936 -21.664 -20.367 1.00 0.00 H new ATOM 0 HA ARG A 57 80.621 -22.865 -20.202 1.00 0.00 H new ATOM 0 HB2 ARG A 57 79.546 -20.292 -21.456 1.00 0.00 H new ATOM 0 HB3 ARG A 57 81.232 -20.771 -21.482 1.00 0.00 H new ATOM 0 HG2 ARG A 57 80.529 -22.955 -22.601 1.00 0.00 H new ATOM 0 HG3 ARG A 57 78.893 -22.333 -22.690 1.00 0.00 H new ATOM 0 HD2 ARG A 57 81.374 -21.078 -23.965 1.00 0.00 H new ATOM 0 HD3 ARG A 57 80.071 -21.885 -24.815 1.00 0.00 H new ATOM 0 HE ARG A 57 78.753 -19.880 -23.410 1.00 0.00 H new ATOM 0 HH11 ARG A 57 81.512 -20.086 -25.567 1.00 0.00 H new ATOM 0 HH12 ARG A 57 81.271 -18.471 -26.242 1.00 0.00 H new ATOM 0 HH21 ARG A 57 78.452 -17.803 -24.285 1.00 0.00 H new ATOM 0 HH22 ARG A 57 79.554 -17.190 -25.522 1.00 0.00 H new ATOM 918 N GLN A 58 81.508 -21.524 -18.324 1.00 0.00 N ATOM 919 CA GLN A 58 81.994 -20.823 -17.140 1.00 0.00 C ATOM 920 C GLN A 58 83.126 -19.862 -17.488 1.00 0.00 C ATOM 921 O GLN A 58 84.177 -20.282 -17.970 1.00 0.00 O ATOM 922 CB GLN A 58 82.491 -21.846 -16.113 1.00 0.00 C ATOM 923 CG GLN A 58 83.045 -21.125 -14.880 1.00 0.00 C ATOM 924 CD GLN A 58 83.481 -22.144 -13.833 1.00 0.00 C ATOM 925 OE1 GLN A 58 83.209 -23.336 -13.974 1.00 0.00 O ATOM 926 NE2 GLN A 58 84.149 -21.744 -12.786 1.00 0.00 N ATOM 0 H GLN A 58 82.083 -22.315 -18.613 1.00 0.00 H new ATOM 0 HA GLN A 58 81.171 -20.242 -16.725 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.675 -22.507 -15.822 1.00 0.00 H new ATOM 0 HB3 GLN A 58 83.265 -22.472 -16.557 1.00 0.00 H new ATOM 0 HG2 GLN A 58 83.891 -20.499 -15.164 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.285 -20.465 -14.462 1.00 0.00 H new ATOM 0 HE21 GLN A 58 84.373 -20.756 -12.671 1.00 0.00 H new ATOM 0 HE22 GLN A 58 84.447 -22.420 -12.082 1.00 0.00 H new ATOM 935 N TYR A 59 82.913 -18.573 -17.225 1.00 0.00 N ATOM 936 CA TYR A 59 83.941 -17.577 -17.504 1.00 0.00 C ATOM 937 C TYR A 59 84.577 -17.121 -16.192 1.00 0.00 C ATOM 938 O TYR A 59 83.885 -16.647 -15.291 1.00 0.00 O ATOM 939 CB TYR A 59 83.326 -16.379 -18.228 1.00 0.00 C ATOM 940 CG TYR A 59 84.406 -15.638 -18.977 1.00 0.00 C ATOM 941 CD1 TYR A 59 85.348 -14.879 -18.276 1.00 0.00 C ATOM 942 CD2 TYR A 59 84.465 -15.712 -20.373 1.00 0.00 C ATOM 943 CE1 TYR A 59 86.351 -14.192 -18.971 1.00 0.00 C ATOM 944 CE2 TYR A 59 85.466 -15.026 -21.070 1.00 0.00 C ATOM 945 CZ TYR A 59 86.408 -14.265 -20.368 1.00 0.00 C ATOM 946 OH TYR A 59 87.396 -13.586 -21.054 1.00 0.00 O ATOM 0 H TYR A 59 82.052 -18.200 -16.826 1.00 0.00 H new ATOM 0 HA TYR A 59 84.706 -18.019 -18.142 1.00 0.00 H new ATOM 0 HB2 TYR A 59 82.554 -16.715 -18.920 1.00 0.00 H new ATOM 0 HB3 TYR A 59 82.844 -15.715 -17.511 1.00 0.00 H new ATOM 0 HD1 TYR A 59 85.302 -14.823 -17.198 1.00 0.00 H new ATOM 0 HD2 TYR A 59 83.737 -16.299 -20.913 1.00 0.00 H new ATOM 0 HE1 TYR A 59 87.080 -13.607 -18.430 1.00 0.00 H new ATOM 0 HE2 TYR A 59 85.512 -15.084 -22.147 1.00 0.00 H new ATOM 0 HH TYR A 59 87.014 -13.180 -21.860 1.00 0.00 H new ATOM 956 N ASP A 60 85.892 -17.291 -16.076 1.00 0.00 N ATOM 957 CA ASP A 60 86.591 -16.916 -14.850 1.00 0.00 C ATOM 958 C ASP A 60 87.584 -15.778 -15.077 1.00 0.00 C ATOM 959 O ASP A 60 87.987 -15.498 -16.205 1.00 0.00 O ATOM 960 CB ASP A 60 87.343 -18.131 -14.300 1.00 0.00 C ATOM 961 CG ASP A 60 86.355 -19.224 -13.911 1.00 0.00 C ATOM 962 OD1 ASP A 60 85.181 -18.919 -13.796 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.788 -20.351 -13.733 1.00 0.00 O ATOM 0 H ASP A 60 86.488 -17.681 -16.806 1.00 0.00 H new ATOM 0 HA ASP A 60 85.841 -16.571 -14.138 1.00 0.00 H new ATOM 0 HB2 ASP A 60 88.039 -18.508 -15.050 1.00 0.00 H new ATOM 0 HB3 ASP A 60 87.936 -17.840 -13.433 1.00 0.00 H new ATOM 968 N GLN A 61 87.980 -15.146 -13.972 1.00 0.00 N ATOM 969 CA GLN A 61 88.945 -14.048 -13.998 1.00 0.00 C ATOM 970 C GLN A 61 88.433 -12.843 -14.784 1.00 0.00 C ATOM 971 O GLN A 61 89.198 -12.196 -15.499 1.00 0.00 O ATOM 972 CB GLN A 61 90.265 -14.530 -14.605 1.00 0.00 C ATOM 973 CG GLN A 61 90.829 -15.671 -13.756 1.00 0.00 C ATOM 974 CD GLN A 61 92.113 -16.205 -14.384 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.476 -15.809 -15.491 1.00 0.00 O ATOM 976 NE2 GLN A 61 92.825 -17.090 -13.739 1.00 0.00 N ATOM 0 H GLN A 61 87.643 -15.380 -13.038 1.00 0.00 H new ATOM 0 HA GLN A 61 89.098 -13.729 -12.967 1.00 0.00 H new ATOM 0 HB2 GLN A 61 90.105 -14.869 -15.629 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.979 -13.708 -14.649 1.00 0.00 H new ATOM 0 HG2 GLN A 61 91.029 -15.318 -12.744 1.00 0.00 H new ATOM 0 HG3 GLN A 61 90.094 -16.472 -13.674 1.00 0.00 H new ATOM 0 HE21 GLN A 61 92.523 -17.417 -12.821 1.00 0.00 H new ATOM 0 HE22 GLN A 61 93.683 -17.454 -14.153 1.00 0.00 H new ATOM 985 N ILE A 62 87.146 -12.538 -14.651 1.00 0.00 N ATOM 986 CA ILE A 62 86.571 -11.399 -15.362 1.00 0.00 C ATOM 987 C ILE A 62 86.121 -10.321 -14.381 1.00 0.00 C ATOM 988 O ILE A 62 85.703 -10.620 -13.260 1.00 0.00 O ATOM 989 CB ILE A 62 85.379 -11.849 -16.206 1.00 0.00 C ATOM 990 CG1 ILE A 62 84.827 -10.652 -16.983 1.00 0.00 C ATOM 991 CG2 ILE A 62 84.286 -12.411 -15.296 1.00 0.00 C ATOM 992 CD1 ILE A 62 83.911 -11.149 -18.102 1.00 0.00 C ATOM 0 H ILE A 62 86.489 -13.054 -14.067 1.00 0.00 H new ATOM 0 HA ILE A 62 87.340 -10.984 -16.014 1.00 0.00 H new ATOM 0 HB ILE A 62 85.701 -12.622 -16.903 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.275 -9.993 -16.313 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.646 -10.068 -17.402 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.438 -12.731 -15.901 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.678 -13.263 -14.741 1.00 0.00 H new ATOM 0 HG23 ILE A 62 83.963 -11.640 -14.597 1.00 0.00 H new ATOM 0 HD11 ILE A 62 83.518 -10.297 -18.656 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.477 -11.791 -18.777 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.085 -11.715 -17.672 1.00 0.00 H new ATOM 1004 N ILE A 63 86.218 -9.067 -14.812 1.00 0.00 N ATOM 1005 CA ILE A 63 85.826 -7.944 -13.968 1.00 0.00 C ATOM 1006 C ILE A 63 84.591 -7.254 -14.541 1.00 0.00 C ATOM 1007 O ILE A 63 84.517 -6.986 -15.741 1.00 0.00 O ATOM 1008 CB ILE A 63 86.977 -6.937 -13.876 1.00 0.00 C ATOM 1009 CG1 ILE A 63 86.567 -5.778 -12.962 1.00 0.00 C ATOM 1010 CG2 ILE A 63 87.295 -6.395 -15.271 1.00 0.00 C ATOM 1011 CD1 ILE A 63 87.786 -4.901 -12.664 1.00 0.00 C ATOM 0 H ILE A 63 86.563 -8.804 -15.735 1.00 0.00 H new ATOM 0 HA ILE A 63 85.591 -8.322 -12.973 1.00 0.00 H new ATOM 0 HB ILE A 63 87.859 -7.430 -13.468 1.00 0.00 H new ATOM 0 HG12 ILE A 63 85.787 -5.184 -13.439 1.00 0.00 H new ATOM 0 HG13 ILE A 63 86.149 -6.165 -12.033 1.00 0.00 H new ATOM 0 HG21 ILE A 63 88.114 -5.679 -15.205 1.00 0.00 H new ATOM 0 HG22 ILE A 63 87.585 -7.218 -15.924 1.00 0.00 H new ATOM 0 HG23 ILE A 63 86.413 -5.901 -15.679 1.00 0.00 H new ATOM 0 HD11 ILE A 63 87.491 -4.077 -12.014 1.00 0.00 H new ATOM 0 HD12 ILE A 63 88.552 -5.498 -12.169 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.184 -4.502 -13.597 1.00 0.00 H new ATOM 1023 N ILE A 64 83.625 -6.971 -13.675 1.00 0.00 N ATOM 1024 CA ILE A 64 82.394 -6.315 -14.102 1.00 0.00 C ATOM 1025 C ILE A 64 82.187 -5.008 -13.343 1.00 0.00 C ATOM 1026 O ILE A 64 82.431 -4.934 -12.139 1.00 0.00 O ATOM 1027 CB ILE A 64 81.202 -7.240 -13.860 1.00 0.00 C ATOM 1028 CG1 ILE A 64 81.429 -8.560 -14.602 1.00 0.00 C ATOM 1029 CG2 ILE A 64 79.928 -6.571 -14.380 1.00 0.00 C ATOM 1030 CD1 ILE A 64 80.334 -9.560 -14.224 1.00 0.00 C ATOM 0 H ILE A 64 83.669 -7.184 -12.678 1.00 0.00 H new ATOM 0 HA ILE A 64 82.475 -6.093 -15.166 1.00 0.00 H new ATOM 0 HB ILE A 64 81.098 -7.436 -12.793 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.423 -8.389 -15.678 1.00 0.00 H new ATOM 0 HG13 ILE A 64 82.409 -8.966 -14.350 1.00 0.00 H new ATOM 0 HG21 ILE A 64 79.076 -7.229 -14.209 1.00 0.00 H new ATOM 0 HG22 ILE A 64 79.771 -5.629 -13.854 1.00 0.00 H new ATOM 0 HG23 ILE A 64 80.028 -6.378 -15.448 1.00 0.00 H new ATOM 0 HD11 ILE A 64 80.499 -10.498 -14.754 1.00 0.00 H new ATOM 0 HD12 ILE A 64 80.362 -9.741 -13.149 1.00 0.00 H new ATOM 0 HD13 ILE A 64 79.360 -9.154 -14.499 1.00 0.00 H new ATOM 1042 N GLU A 65 81.722 -3.983 -14.050 1.00 0.00 N ATOM 1043 CA GLU A 65 81.476 -2.691 -13.419 1.00 0.00 C ATOM 1044 C GLU A 65 79.981 -2.498 -13.184 1.00 0.00 C ATOM 1045 O GLU A 65 79.185 -2.548 -14.121 1.00 0.00 O ATOM 1046 CB GLU A 65 82.015 -1.563 -14.301 1.00 0.00 C ATOM 1047 CG GLU A 65 83.530 -1.708 -14.448 1.00 0.00 C ATOM 1048 CD GLU A 65 84.090 -0.547 -15.263 1.00 0.00 C ATOM 1049 OE1 GLU A 65 83.298 0.201 -15.814 1.00 0.00 O ATOM 1050 OE2 GLU A 65 85.302 -0.422 -15.326 1.00 0.00 O ATOM 0 H GLU A 65 81.510 -4.020 -15.047 1.00 0.00 H new ATOM 0 HA GLU A 65 81.991 -2.666 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 65 81.539 -1.595 -15.281 1.00 0.00 H new ATOM 0 HB3 GLU A 65 81.773 -0.596 -13.861 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.998 -1.731 -13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.767 -2.653 -14.936 1.00 0.00 H new ATOM 1057 N ILE A 66 79.608 -2.276 -11.929 1.00 0.00 N ATOM 1058 CA ILE A 66 78.204 -2.076 -11.588 1.00 0.00 C ATOM 1059 C ILE A 66 78.025 -0.822 -10.739 1.00 0.00 C ATOM 1060 O ILE A 66 78.691 -0.653 -9.717 1.00 0.00 O ATOM 1061 CB ILE A 66 77.671 -3.289 -10.824 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.885 -4.552 -11.662 1.00 0.00 C ATOM 1063 CG2 ILE A 66 76.176 -3.103 -10.557 1.00 0.00 C ATOM 1064 CD1 ILE A 66 77.465 -5.780 -10.850 1.00 0.00 C ATOM 0 H ILE A 66 80.250 -2.230 -11.138 1.00 0.00 H new ATOM 0 HA ILE A 66 77.644 -1.954 -12.515 1.00 0.00 H new ATOM 0 HB ILE A 66 78.202 -3.386 -9.877 1.00 0.00 H new ATOM 0 HG12 ILE A 66 77.303 -4.494 -12.582 1.00 0.00 H new ATOM 0 HG13 ILE A 66 78.932 -4.636 -11.953 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.793 -3.966 -10.013 1.00 0.00 H new ATOM 0 HG22 ILE A 66 76.022 -2.202 -9.963 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.646 -3.008 -11.505 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.617 -6.680 -11.446 1.00 0.00 H new ATOM 0 HD12 ILE A 66 78.067 -5.840 -9.943 1.00 0.00 H new ATOM 0 HD13 ILE A 66 76.412 -5.696 -10.582 1.00 0.00 H new ATOM 1076 N ALA A 67 77.119 0.053 -11.161 1.00 0.00 N ATOM 1077 CA ALA A 67 76.859 1.284 -10.424 1.00 0.00 C ATOM 1078 C ALA A 67 78.163 1.949 -9.996 1.00 0.00 C ATOM 1079 O ALA A 67 78.281 2.438 -8.872 1.00 0.00 O ATOM 1080 CB ALA A 67 76.010 0.982 -9.190 1.00 0.00 C ATOM 0 H ALA A 67 76.556 -0.066 -12.003 1.00 0.00 H new ATOM 0 HA ALA A 67 76.320 1.967 -11.081 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.820 1.906 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 67 75.062 0.542 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.542 0.283 -8.545 1.00 0.00 H new ATOM 1086 N GLY A 68 79.133 1.983 -10.903 1.00 0.00 N ATOM 1087 CA GLY A 68 80.416 2.613 -10.615 1.00 0.00 C ATOM 1088 C GLY A 68 81.260 1.776 -9.658 1.00 0.00 C ATOM 1089 O GLY A 68 82.240 2.271 -9.100 1.00 0.00 O ATOM 0 H GLY A 68 79.056 1.584 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 68 80.964 2.763 -11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 68 80.247 3.599 -10.182 1.00 0.00 H new ATOM 1093 N HIS A 69 80.885 0.515 -9.464 1.00 0.00 N ATOM 1094 CA HIS A 69 81.635 -0.357 -8.562 1.00 0.00 C ATOM 1095 C HIS A 69 82.201 -1.552 -9.322 1.00 0.00 C ATOM 1096 O HIS A 69 81.516 -2.157 -10.147 1.00 0.00 O ATOM 1097 CB HIS A 69 80.726 -0.849 -7.434 1.00 0.00 C ATOM 1098 CG HIS A 69 81.547 -1.593 -6.417 1.00 0.00 C ATOM 1099 ND1 HIS A 69 82.494 -0.961 -5.626 1.00 0.00 N ATOM 1100 CD2 HIS A 69 81.574 -2.916 -6.048 1.00 0.00 C ATOM 1101 CE1 HIS A 69 83.045 -1.894 -4.828 1.00 0.00 C ATOM 1102 NE2 HIS A 69 82.521 -3.103 -5.044 1.00 0.00 N ATOM 0 H HIS A 69 80.079 0.078 -9.911 1.00 0.00 H new ATOM 0 HA HIS A 69 82.461 0.214 -8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.223 -0.004 -6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 69 79.949 -1.499 -7.836 1.00 0.00 H new ATOM 0 HD2 HIS A 69 80.955 -3.693 -6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 69 83.817 -1.690 -4.101 1.00 0.00 H new ATOM 0 HE2 HIS A 69 82.762 -3.976 -4.575 1.00 0.00 H new ATOM 1111 N LYS A 70 83.458 -1.883 -9.043 1.00 0.00 N ATOM 1112 CA LYS A 70 84.111 -3.003 -9.712 1.00 0.00 C ATOM 1113 C LYS A 70 83.873 -4.309 -8.958 1.00 0.00 C ATOM 1114 O LYS A 70 83.718 -4.316 -7.737 1.00 0.00 O ATOM 1115 CB LYS A 70 85.615 -2.748 -9.806 1.00 0.00 C ATOM 1116 CG LYS A 70 85.869 -1.455 -10.584 1.00 0.00 C ATOM 1117 CD LYS A 70 87.357 -1.349 -10.924 1.00 0.00 C ATOM 1118 CE LYS A 70 88.175 -1.296 -9.632 1.00 0.00 C ATOM 1119 NZ LYS A 70 89.548 -0.801 -9.937 1.00 0.00 N ATOM 0 H LYS A 70 84.041 -1.395 -8.363 1.00 0.00 H new ATOM 0 HA LYS A 70 83.684 -3.092 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 70 86.045 -2.673 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 70 86.106 -3.585 -10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 70 85.275 -1.445 -11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 70 85.558 -0.594 -9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 70 87.665 -2.204 -11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.542 -0.455 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 70 87.692 -0.639 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 70 88.225 -2.286 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 90.106 -0.764 -9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 90.007 -1.445 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 89.490 0.151 -10.351 1.00 0.00 H new ATOM 1133 N ALA A 71 83.857 -5.413 -9.700 1.00 0.00 N ATOM 1134 CA ALA A 71 83.654 -6.729 -9.105 1.00 0.00 C ATOM 1135 C ALA A 71 84.362 -7.789 -9.942 1.00 0.00 C ATOM 1136 O ALA A 71 84.305 -7.755 -11.171 1.00 0.00 O ATOM 1137 CB ALA A 71 82.159 -7.046 -9.031 1.00 0.00 C ATOM 0 H ALA A 71 83.982 -5.422 -10.712 1.00 0.00 H new ATOM 0 HA ALA A 71 84.069 -6.729 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.017 -8.031 -8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 71 81.658 -6.296 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.735 -7.038 -10.035 1.00 0.00 H new ATOM 1143 N ILE A 72 85.029 -8.729 -9.277 1.00 0.00 N ATOM 1144 CA ILE A 72 85.741 -9.786 -9.988 1.00 0.00 C ATOM 1145 C ILE A 72 85.310 -11.161 -9.491 1.00 0.00 C ATOM 1146 O ILE A 72 85.351 -11.437 -8.292 1.00 0.00 O ATOM 1147 CB ILE A 72 87.246 -9.617 -9.785 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.667 -8.227 -10.268 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.992 -10.686 -10.587 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.133 -7.977 -9.912 1.00 0.00 C ATOM 0 H ILE A 72 85.091 -8.781 -8.260 1.00 0.00 H new ATOM 0 HA ILE A 72 85.501 -9.711 -11.049 1.00 0.00 H new ATOM 0 HB ILE A 72 87.488 -9.725 -8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.527 -8.149 -11.346 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.037 -7.466 -9.808 1.00 0.00 H new ATOM 0 HG21 ILE A 72 89.066 -10.566 -10.443 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.688 -11.675 -10.245 1.00 0.00 H new ATOM 0 HG23 ILE A 72 87.754 -10.579 -11.645 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.428 -6.986 -10.258 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.260 -8.037 -8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.758 -8.730 -10.393 1.00 0.00 H new ATOM 1162 N GLY A 73 84.902 -12.026 -10.416 1.00 0.00 N ATOM 1163 CA GLY A 73 84.475 -13.369 -10.038 1.00 0.00 C ATOM 1164 C GLY A 73 84.026 -14.183 -11.247 1.00 0.00 C ATOM 1165 O GLY A 73 84.063 -13.710 -12.382 1.00 0.00 O ATOM 0 H GLY A 73 84.858 -11.826 -11.415 1.00 0.00 H new ATOM 0 HA2 GLY A 73 85.295 -13.884 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.657 -13.302 -9.321 1.00 0.00 H new ATOM 1169 N THR A 74 83.603 -15.416 -10.983 1.00 0.00 N ATOM 1170 CA THR A 74 83.141 -16.309 -12.040 1.00 0.00 C ATOM 1171 C THR A 74 81.731 -15.932 -12.479 1.00 0.00 C ATOM 1172 O THR A 74 80.889 -15.583 -11.650 1.00 0.00 O ATOM 1173 CB THR A 74 83.151 -17.754 -11.533 1.00 0.00 C ATOM 1174 OG1 THR A 74 84.475 -18.118 -11.171 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.637 -18.694 -12.626 1.00 0.00 C ATOM 0 H THR A 74 83.571 -15.819 -10.047 1.00 0.00 H new ATOM 0 HA THR A 74 83.811 -16.215 -12.895 1.00 0.00 H new ATOM 0 HB THR A 74 82.501 -17.835 -10.662 1.00 0.00 H new ATOM 0 HG1 THR A 74 84.951 -18.449 -11.961 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.647 -19.720 -12.258 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.618 -18.415 -12.896 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.279 -18.617 -13.504 1.00 0.00 H new ATOM 1183 N VAL A 75 81.473 -16.013 -13.779 1.00 0.00 N ATOM 1184 CA VAL A 75 80.150 -15.685 -14.293 1.00 0.00 C ATOM 1185 C VAL A 75 79.726 -16.661 -15.386 1.00 0.00 C ATOM 1186 O VAL A 75 80.269 -16.650 -16.493 1.00 0.00 O ATOM 1187 CB VAL A 75 80.138 -14.259 -14.845 1.00 0.00 C ATOM 1188 CG1 VAL A 75 78.710 -13.880 -15.241 1.00 0.00 C ATOM 1189 CG2 VAL A 75 80.642 -13.292 -13.770 1.00 0.00 C ATOM 0 H VAL A 75 82.151 -16.298 -14.486 1.00 0.00 H new ATOM 0 HA VAL A 75 79.442 -15.762 -13.468 1.00 0.00 H new ATOM 0 HB VAL A 75 80.787 -14.201 -15.719 1.00 0.00 H new ATOM 0 HG11 VAL A 75 78.699 -12.864 -15.635 1.00 0.00 H new ATOM 0 HG12 VAL A 75 78.349 -14.569 -16.005 1.00 0.00 H new ATOM 0 HG13 VAL A 75 78.063 -13.937 -14.366 1.00 0.00 H new ATOM 0 HG21 VAL A 75 80.634 -12.275 -14.163 1.00 0.00 H new ATOM 0 HG22 VAL A 75 79.993 -13.349 -12.896 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.659 -13.563 -13.485 1.00 0.00 H new ATOM 1199 N LEU A 76 78.780 -17.532 -15.050 1.00 0.00 N ATOM 1200 CA LEU A 76 78.307 -18.539 -15.989 1.00 0.00 C ATOM 1201 C LEU A 76 77.473 -17.914 -17.104 1.00 0.00 C ATOM 1202 O LEU A 76 76.754 -16.939 -16.889 1.00 0.00 O ATOM 1203 CB LEU A 76 77.446 -19.567 -15.251 1.00 0.00 C ATOM 1204 CG LEU A 76 78.174 -20.046 -13.996 1.00 0.00 C ATOM 1205 CD1 LEU A 76 77.419 -21.228 -13.384 1.00 0.00 C ATOM 1206 CD2 LEU A 76 79.590 -20.479 -14.367 1.00 0.00 C ATOM 0 H LEU A 76 78.328 -17.560 -14.136 1.00 0.00 H new ATOM 0 HA LEU A 76 79.181 -19.018 -16.431 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.487 -19.125 -14.980 1.00 0.00 H new ATOM 0 HB3 LEU A 76 77.233 -20.413 -15.904 1.00 0.00 H new ATOM 0 HG LEU A 76 78.220 -19.234 -13.270 1.00 0.00 H new ATOM 0 HD11 LEU A 76 77.940 -21.568 -12.489 1.00 0.00 H new ATOM 0 HD12 LEU A 76 76.408 -20.917 -13.120 1.00 0.00 H new ATOM 0 HD13 LEU A 76 77.370 -22.042 -14.107 1.00 0.00 H new ATOM 0 HD21 LEU A 76 80.112 -20.821 -13.473 1.00 0.00 H new ATOM 0 HD22 LEU A 76 79.544 -21.290 -15.093 1.00 0.00 H new ATOM 0 HD23 LEU A 76 80.127 -19.635 -14.800 1.00 0.00 H new ATOM 1218 N VAL A 77 77.570 -18.503 -18.289 1.00 0.00 N ATOM 1219 CA VAL A 77 76.814 -18.025 -19.441 1.00 0.00 C ATOM 1220 C VAL A 77 75.849 -19.114 -19.903 1.00 0.00 C ATOM 1221 O VAL A 77 76.244 -20.263 -20.091 1.00 0.00 O ATOM 1222 CB VAL A 77 77.769 -17.649 -20.576 1.00 0.00 C ATOM 1223 CG1 VAL A 77 76.991 -16.964 -21.700 1.00 0.00 C ATOM 1224 CG2 VAL A 77 78.839 -16.695 -20.041 1.00 0.00 C ATOM 0 H VAL A 77 78.163 -19.311 -18.478 1.00 0.00 H new ATOM 0 HA VAL A 77 76.246 -17.139 -19.158 1.00 0.00 H new ATOM 0 HB VAL A 77 78.242 -18.551 -20.965 1.00 0.00 H new ATOM 0 HG11 VAL A 77 77.675 -16.698 -22.506 1.00 0.00 H new ATOM 0 HG12 VAL A 77 76.228 -17.643 -22.081 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.515 -16.062 -21.316 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.521 -16.425 -20.847 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.363 -15.795 -19.652 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.396 -17.184 -19.242 1.00 0.00 H new ATOM 1234 N GLY A 78 74.578 -18.754 -20.055 1.00 0.00 N ATOM 1235 CA GLY A 78 73.570 -19.730 -20.462 1.00 0.00 C ATOM 1236 C GLY A 78 72.829 -19.307 -21.728 1.00 0.00 C ATOM 1237 O GLY A 78 72.984 -18.186 -22.214 1.00 0.00 O ATOM 0 H GLY A 78 74.224 -17.809 -19.905 1.00 0.00 H new ATOM 0 HA2 GLY A 78 74.049 -20.695 -20.630 1.00 0.00 H new ATOM 0 HA3 GLY A 78 72.853 -19.867 -19.653 1.00 0.00 H new ATOM 1241 N PRO A 79 72.038 -20.202 -22.263 1.00 0.00 N ATOM 1242 CA PRO A 79 71.245 -19.963 -23.507 1.00 0.00 C ATOM 1243 C PRO A 79 70.268 -18.795 -23.380 1.00 0.00 C ATOM 1244 O PRO A 79 69.827 -18.236 -24.385 1.00 0.00 O ATOM 1245 CB PRO A 79 70.487 -21.277 -23.732 1.00 0.00 C ATOM 1246 CG PRO A 79 70.544 -22.012 -22.434 1.00 0.00 C ATOM 1247 CD PRO A 79 71.814 -21.550 -21.727 1.00 0.00 C ATOM 0 HA PRO A 79 71.896 -19.690 -24.337 1.00 0.00 H new ATOM 0 HB2 PRO A 79 69.455 -21.087 -24.028 1.00 0.00 H new ATOM 0 HB3 PRO A 79 70.945 -21.860 -24.531 1.00 0.00 H new ATOM 0 HG2 PRO A 79 69.664 -21.798 -21.828 1.00 0.00 H new ATOM 0 HG3 PRO A 79 70.563 -23.089 -22.599 1.00 0.00 H new ATOM 0 HD2 PRO A 79 71.687 -21.535 -20.645 1.00 0.00 H new ATOM 0 HD3 PRO A 79 72.654 -22.211 -21.940 1.00 0.00 H new ATOM 1255 N THR A 80 69.920 -18.436 -22.148 1.00 0.00 N ATOM 1256 CA THR A 80 68.980 -17.342 -21.922 1.00 0.00 C ATOM 1257 C THR A 80 69.245 -16.196 -22.907 1.00 0.00 C ATOM 1258 O THR A 80 70.399 -15.882 -23.192 1.00 0.00 O ATOM 1259 CB THR A 80 69.124 -16.823 -20.489 1.00 0.00 C ATOM 1260 OG1 THR A 80 68.474 -15.565 -20.377 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.606 -16.666 -20.147 1.00 0.00 C ATOM 0 H THR A 80 70.270 -18.880 -21.299 1.00 0.00 H new ATOM 0 HA THR A 80 67.968 -17.716 -22.077 1.00 0.00 H new ATOM 0 HB THR A 80 68.668 -17.532 -19.798 1.00 0.00 H new ATOM 0 HG1 THR A 80 68.563 -15.231 -19.460 1.00 0.00 H new ATOM 0 HG21 THR A 80 70.707 -16.296 -19.127 1.00 0.00 H new ATOM 0 HG22 THR A 80 71.104 -17.632 -20.234 1.00 0.00 H new ATOM 0 HG23 THR A 80 71.065 -15.958 -20.836 1.00 0.00 H new ATOM 1269 N PRO A 81 68.215 -15.574 -23.436 1.00 0.00 N ATOM 1270 CA PRO A 81 68.370 -14.450 -24.408 1.00 0.00 C ATOM 1271 C PRO A 81 68.795 -13.138 -23.746 1.00 0.00 C ATOM 1272 O PRO A 81 69.189 -12.193 -24.430 1.00 0.00 O ATOM 1273 CB PRO A 81 66.979 -14.314 -25.023 1.00 0.00 C ATOM 1274 CG PRO A 81 66.041 -14.793 -23.968 1.00 0.00 C ATOM 1275 CD PRO A 81 66.791 -15.864 -23.174 1.00 0.00 C ATOM 0 HA PRO A 81 69.156 -14.657 -25.134 1.00 0.00 H new ATOM 0 HB2 PRO A 81 66.769 -13.280 -25.298 1.00 0.00 H new ATOM 0 HB3 PRO A 81 66.889 -14.910 -25.931 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.735 -13.972 -23.319 1.00 0.00 H new ATOM 0 HG3 PRO A 81 65.134 -15.203 -24.412 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.561 -15.806 -22.110 1.00 0.00 H new ATOM 0 HD3 PRO A 81 66.521 -16.867 -23.504 1.00 0.00 H new ATOM 1283 N VAL A 82 68.698 -13.073 -22.421 1.00 0.00 N ATOM 1284 CA VAL A 82 69.062 -11.854 -21.701 1.00 0.00 C ATOM 1285 C VAL A 82 70.050 -12.146 -20.574 1.00 0.00 C ATOM 1286 O VAL A 82 70.741 -13.167 -20.579 1.00 0.00 O ATOM 1287 CB VAL A 82 67.810 -11.191 -21.120 1.00 0.00 C ATOM 1288 CG1 VAL A 82 67.962 -9.668 -21.170 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.583 -11.605 -21.937 1.00 0.00 C ATOM 0 H VAL A 82 68.375 -13.839 -21.829 1.00 0.00 H new ATOM 0 HA VAL A 82 69.540 -11.180 -22.412 1.00 0.00 H new ATOM 0 HB VAL A 82 67.684 -11.510 -20.085 1.00 0.00 H new ATOM 0 HG11 VAL A 82 67.069 -9.199 -20.756 1.00 0.00 H new ATOM 0 HG12 VAL A 82 68.833 -9.370 -20.586 1.00 0.00 H new ATOM 0 HG13 VAL A 82 68.093 -9.349 -22.204 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.693 -11.132 -21.522 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.712 -11.290 -22.972 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.469 -12.688 -21.899 1.00 0.00 H new ATOM 1299 N ASN A 83 70.114 -11.230 -19.610 1.00 0.00 N ATOM 1300 CA ASN A 83 71.019 -11.386 -18.476 1.00 0.00 C ATOM 1301 C ASN A 83 70.264 -11.207 -17.161 1.00 0.00 C ATOM 1302 O ASN A 83 69.513 -10.245 -16.993 1.00 0.00 O ATOM 1303 CB ASN A 83 72.151 -10.358 -18.560 1.00 0.00 C ATOM 1304 CG ASN A 83 72.866 -10.476 -19.902 1.00 0.00 C ATOM 1305 OD1 ASN A 83 72.707 -11.475 -20.605 1.00 0.00 O ATOM 1306 ND2 ASN A 83 73.647 -9.511 -20.303 1.00 0.00 N ATOM 0 H ASN A 83 69.554 -10.378 -19.592 1.00 0.00 H new ATOM 0 HA ASN A 83 71.440 -12.391 -18.509 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.749 -9.352 -18.440 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.859 -10.517 -17.747 1.00 0.00 H new ATOM 0 HD21 ASN A 83 74.127 -9.583 -21.200 1.00 0.00 H new ATOM 0 HD22 ASN A 83 73.777 -8.685 -19.720 1.00 0.00 H new ATOM 1313 N ILE A 84 70.469 -12.135 -16.231 1.00 0.00 N ATOM 1314 CA ILE A 84 69.803 -12.063 -14.933 1.00 0.00 C ATOM 1315 C ILE A 84 70.830 -12.081 -13.803 1.00 0.00 C ATOM 1316 O ILE A 84 71.824 -12.807 -13.861 1.00 0.00 O ATOM 1317 CB ILE A 84 68.834 -13.236 -14.772 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.140 -13.142 -13.411 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.604 -14.553 -14.858 1.00 0.00 C ATOM 1320 CD1 ILE A 84 66.980 -14.139 -13.359 1.00 0.00 C ATOM 0 H ILE A 84 71.085 -12.939 -16.349 1.00 0.00 H new ATOM 0 HA ILE A 84 69.244 -11.129 -14.884 1.00 0.00 H new ATOM 0 HB ILE A 84 68.088 -13.199 -15.566 1.00 0.00 H new ATOM 0 HG12 ILE A 84 68.851 -13.354 -12.613 1.00 0.00 H new ATOM 0 HG13 ILE A 84 67.771 -12.129 -13.248 1.00 0.00 H new ATOM 0 HG21 ILE A 84 68.912 -15.387 -14.743 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.099 -14.623 -15.827 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.351 -14.590 -14.066 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.486 -14.072 -12.390 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.265 -13.906 -14.148 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.362 -15.150 -13.502 1.00 0.00 H new ATOM 1332 N ILE A 85 70.585 -11.272 -12.774 1.00 0.00 N ATOM 1333 CA ILE A 85 71.499 -11.201 -11.637 1.00 0.00 C ATOM 1334 C ILE A 85 70.873 -11.833 -10.399 1.00 0.00 C ATOM 1335 O ILE A 85 69.660 -11.763 -10.199 1.00 0.00 O ATOM 1336 CB ILE A 85 71.861 -9.744 -11.344 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.497 -9.117 -12.587 1.00 0.00 C ATOM 1338 CG2 ILE A 85 72.854 -9.695 -10.182 1.00 0.00 C ATOM 1339 CD1 ILE A 85 72.701 -7.616 -12.359 1.00 0.00 C ATOM 0 H ILE A 85 69.770 -10.663 -12.704 1.00 0.00 H new ATOM 0 HA ILE A 85 72.403 -11.754 -11.892 1.00 0.00 H new ATOM 0 HB ILE A 85 70.961 -9.189 -11.079 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.453 -9.596 -12.800 1.00 0.00 H new ATOM 0 HG13 ILE A 85 71.859 -9.280 -13.456 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.115 -8.658 -9.970 1.00 0.00 H new ATOM 0 HG22 ILE A 85 72.402 -10.144 -9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 85 73.754 -10.248 -10.449 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.154 -7.172 -13.245 1.00 0.00 H new ATOM 0 HD12 ILE A 85 71.738 -7.143 -12.168 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.357 -7.464 -11.502 1.00 0.00 H new ATOM 1351 N GLY A 86 71.708 -12.463 -9.575 1.00 0.00 N ATOM 1352 CA GLY A 86 71.220 -13.118 -8.367 1.00 0.00 C ATOM 1353 C GLY A 86 71.937 -12.615 -7.112 1.00 0.00 C ATOM 1354 O GLY A 86 72.759 -11.697 -7.167 1.00 0.00 O ATOM 0 H GLY A 86 72.715 -12.533 -9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.149 -12.943 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.360 -14.195 -8.457 1.00 0.00 H new ATOM 1358 N ARG A 87 71.596 -13.226 -5.982 1.00 0.00 N ATOM 1359 CA ARG A 87 72.172 -12.860 -4.691 1.00 0.00 C ATOM 1360 C ARG A 87 73.700 -12.883 -4.715 1.00 0.00 C ATOM 1361 O ARG A 87 74.345 -12.202 -3.918 1.00 0.00 O ATOM 1362 CB ARG A 87 71.668 -13.830 -3.619 1.00 0.00 C ATOM 1363 CG ARG A 87 72.168 -13.396 -2.240 1.00 0.00 C ATOM 1364 CD ARG A 87 71.687 -14.405 -1.195 1.00 0.00 C ATOM 1365 NE ARG A 87 71.927 -13.908 0.165 1.00 0.00 N ATOM 1366 CZ ARG A 87 73.126 -13.510 0.584 1.00 0.00 C ATOM 1367 NH1 ARG A 87 74.184 -13.712 -0.151 1.00 0.00 N ATOM 1368 NH2 ARG A 87 73.251 -12.965 1.762 1.00 0.00 N ATOM 0 H ARG A 87 70.916 -13.985 -5.934 1.00 0.00 H new ATOM 0 HA ARG A 87 71.859 -11.841 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.578 -13.859 -3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 87 72.015 -14.840 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 87 73.256 -13.339 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 87 71.796 -12.400 -2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.623 -14.598 -1.333 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.204 -15.354 -1.336 1.00 0.00 H new ATOM 0 HE ARG A 87 71.143 -13.866 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 87 74.096 -14.178 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 87 75.099 -13.404 0.177 1.00 0.00 H new ATOM 0 HH21 ARG A 87 72.432 -12.845 2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 87 74.168 -12.658 2.087 1.00 0.00 H new ATOM 1382 N ASN A 88 74.275 -13.670 -5.615 1.00 0.00 N ATOM 1383 CA ASN A 88 75.729 -13.766 -5.700 1.00 0.00 C ATOM 1384 C ASN A 88 76.361 -12.384 -5.857 1.00 0.00 C ATOM 1385 O ASN A 88 77.329 -12.056 -5.171 1.00 0.00 O ATOM 1386 CB ASN A 88 76.123 -14.640 -6.892 1.00 0.00 C ATOM 1387 CG ASN A 88 77.608 -14.980 -6.820 1.00 0.00 C ATOM 1388 OD1 ASN A 88 78.072 -15.525 -5.819 1.00 0.00 O ATOM 1389 ND2 ASN A 88 78.384 -14.692 -7.828 1.00 0.00 N ATOM 0 H ASN A 88 73.767 -14.244 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 88 76.094 -14.214 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 88 75.531 -15.555 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 88 75.906 -14.118 -7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 88 79.378 -14.919 -7.788 1.00 0.00 H new ATOM 0 HD22 ASN A 88 77.997 -14.240 -8.657 1.00 0.00 H new ATOM 1396 N LEU A 89 75.812 -11.580 -6.760 1.00 0.00 N ATOM 1397 CA LEU A 89 76.338 -10.240 -6.989 1.00 0.00 C ATOM 1398 C LEU A 89 75.841 -9.258 -5.933 1.00 0.00 C ATOM 1399 O LEU A 89 76.590 -8.391 -5.481 1.00 0.00 O ATOM 1400 CB LEU A 89 75.936 -9.745 -8.380 1.00 0.00 C ATOM 1401 CG LEU A 89 77.010 -10.145 -9.395 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.303 -11.640 -9.272 1.00 0.00 C ATOM 1403 CD2 LEU A 89 76.513 -9.840 -10.810 1.00 0.00 C ATOM 0 H LEU A 89 75.011 -11.829 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 89 77.424 -10.295 -6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 89 74.974 -10.171 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 89 75.815 -8.662 -8.371 1.00 0.00 H new ATOM 0 HG LEU A 89 77.921 -9.580 -9.197 1.00 0.00 H new ATOM 0 HD11 LEU A 89 78.068 -11.922 -9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 89 77.658 -11.860 -8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 89 76.392 -12.206 -9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 89 77.277 -10.125 -11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 89 75.601 -10.404 -11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 89 76.306 -8.774 -10.901 1.00 0.00 H new ATOM 1415 N LEU A 90 74.573 -9.382 -5.554 1.00 0.00 N ATOM 1416 CA LEU A 90 74.000 -8.475 -4.562 1.00 0.00 C ATOM 1417 C LEU A 90 74.810 -8.501 -3.269 1.00 0.00 C ATOM 1418 O LEU A 90 75.014 -7.467 -2.635 1.00 0.00 O ATOM 1419 CB LEU A 90 72.554 -8.870 -4.259 1.00 0.00 C ATOM 1420 CG LEU A 90 71.753 -8.935 -5.561 1.00 0.00 C ATOM 1421 CD1 LEU A 90 70.296 -9.286 -5.250 1.00 0.00 C ATOM 1422 CD2 LEU A 90 71.811 -7.574 -6.259 1.00 0.00 C ATOM 0 H LEU A 90 73.930 -10.089 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 90 74.025 -7.466 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.529 -9.837 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.104 -8.146 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 90 72.178 -9.699 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 90 69.727 -9.332 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 90 70.254 -10.254 -4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 90 69.869 -8.523 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 90 71.241 -7.617 -7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 90 71.385 -6.812 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 90 72.848 -7.323 -6.481 1.00 0.00 H new ATOM 1434 N THR A 91 75.262 -9.689 -2.877 1.00 0.00 N ATOM 1435 CA THR A 91 76.037 -9.831 -1.648 1.00 0.00 C ATOM 1436 C THR A 91 77.302 -8.977 -1.695 1.00 0.00 C ATOM 1437 O THR A 91 77.633 -8.295 -0.726 1.00 0.00 O ATOM 1438 CB THR A 91 76.420 -11.298 -1.445 1.00 0.00 C ATOM 1439 OG1 THR A 91 75.248 -12.097 -1.493 1.00 0.00 O ATOM 1440 CG2 THR A 91 77.103 -11.468 -0.087 1.00 0.00 C ATOM 0 H THR A 91 75.107 -10.559 -3.386 1.00 0.00 H new ATOM 0 HA THR A 91 75.421 -9.491 -0.816 1.00 0.00 H new ATOM 0 HB THR A 91 77.107 -11.609 -2.232 1.00 0.00 H new ATOM 0 HG1 THR A 91 75.084 -12.382 -2.416 1.00 0.00 H new ATOM 0 HG21 THR A 91 77.375 -12.514 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 91 78.001 -10.852 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 91 76.420 -11.160 0.705 1.00 0.00 H new ATOM 1448 N GLN A 92 78.004 -9.017 -2.823 1.00 0.00 N ATOM 1449 CA GLN A 92 79.229 -8.240 -2.971 1.00 0.00 C ATOM 1450 C GLN A 92 78.931 -6.747 -2.878 1.00 0.00 C ATOM 1451 O GLN A 92 79.694 -5.986 -2.283 1.00 0.00 O ATOM 1452 CB GLN A 92 79.892 -8.548 -4.313 1.00 0.00 C ATOM 1453 CG GLN A 92 81.273 -7.891 -4.359 1.00 0.00 C ATOM 1454 CD GLN A 92 81.981 -8.245 -5.662 1.00 0.00 C ATOM 1455 OE1 GLN A 92 81.482 -9.060 -6.439 1.00 0.00 O ATOM 1456 NE2 GLN A 92 83.120 -7.679 -5.947 1.00 0.00 N ATOM 0 H GLN A 92 77.749 -9.573 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 92 79.908 -8.516 -2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.985 -9.626 -4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.273 -8.178 -5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.172 -6.809 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 92 81.870 -8.223 -3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 92 83.530 -7.005 -5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 92 83.601 -7.911 -6.816 1.00 0.00 H new