USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 13 SER OG : rot 180:sc= -0.942 USER MOD Single : A 17 LYS NZ :NH3+ -131:sc= 0.0195 (180deg=-1.78!) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 1.29 (180deg=0.882) USER MOD Single : A 25 CYS SG : rot -19:sc= 0.362 USER MOD Single : A 26 LYS NZ :NH3+ -162:sc=0.000972 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.805 K(o=-0.8,f=-0.006) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -57:sc= -1.08 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.41! C(o=-3.4!,f=-8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 80 THR OG1 : rot -120:sc= -3.47! USER MOD Single : A 81 SER OG : rot 180:sc= -0.199 USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00108) USER MOD Single : A 98 HIS : no HD1:sc= -4.97! C(o=-5!,f=-5.9!) USER MOD Single : A 102 CYS SG : rot 180:sc= -0.169 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.791 -2.178 2.274 1.00 0.00 N ATOM 130 CA TRP A 12 -7.420 -1.050 1.426 1.00 0.00 C ATOM 131 C TRP A 12 -8.489 -0.787 0.372 1.00 0.00 C ATOM 132 O TRP A 12 -9.516 -1.465 0.332 1.00 0.00 O ATOM 133 CB TRP A 12 -6.074 -1.315 0.751 1.00 0.00 C ATOM 134 CG TRP A 12 -4.946 -1.493 1.722 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.345 -0.520 2.468 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.285 -2.720 2.052 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.349 -1.067 3.240 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.293 -2.415 3.005 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.436 -4.046 1.637 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.458 -3.389 3.545 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.606 -5.010 2.174 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.627 -4.678 3.121 1.00 0.00 C ATOM 0 HA TRP A 12 -7.334 -0.165 2.057 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.156 -2.209 0.133 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.841 -0.486 0.083 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.613 0.526 2.453 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.748 -0.552 3.884 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.188 -4.312 0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.703 -3.135 4.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.713 -6.038 1.859 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.994 -5.455 3.523 1.00 0.00 H new ATOM 153 N SER A 13 -8.241 0.202 -0.482 1.00 0.00 N ATOM 154 CA SER A 13 -9.185 0.557 -1.535 1.00 0.00 C ATOM 155 C SER A 13 -8.657 0.135 -2.903 1.00 0.00 C ATOM 156 O SER A 13 -7.461 0.214 -3.186 1.00 0.00 O ATOM 157 CB SER A 13 -9.454 2.063 -1.522 1.00 0.00 C ATOM 158 OG SER A 13 -10.716 2.360 -2.095 1.00 0.00 O ATOM 0 H SER A 13 -7.395 0.771 -0.465 1.00 0.00 H new ATOM 0 HA SER A 13 -10.118 0.027 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.420 2.433 -0.497 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.669 2.581 -2.074 1.00 0.00 H new ATOM 0 HG SER A 13 -10.865 3.328 -2.073 1.00 0.00 H new ATOM 164 N PRO A 14 -9.568 -0.324 -3.773 1.00 0.00 N ATOM 165 CA PRO A 14 -9.219 -0.768 -5.126 1.00 0.00 C ATOM 166 C PRO A 14 -8.801 0.391 -6.025 1.00 0.00 C ATOM 167 O PRO A 14 -8.525 0.200 -7.209 1.00 0.00 O ATOM 168 CB PRO A 14 -10.515 -1.401 -5.637 1.00 0.00 C ATOM 169 CG PRO A 14 -11.596 -0.735 -4.857 1.00 0.00 C ATOM 170 CD PRO A 14 -11.011 -0.446 -3.503 1.00 0.00 C ATOM 0 HA PRO A 14 -8.368 -1.449 -5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.640 -1.237 -6.707 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.519 -2.479 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.921 0.183 -5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.471 -1.379 -4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.419 0.470 -3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.221 -1.248 -2.795 1.00 0.00 H new ATOM 178 N GLU A 15 -8.756 1.591 -5.455 1.00 0.00 N ATOM 179 CA GLU A 15 -8.371 2.779 -6.207 1.00 0.00 C ATOM 180 C GLU A 15 -6.993 3.273 -5.776 1.00 0.00 C ATOM 181 O GLU A 15 -6.810 3.733 -4.649 1.00 0.00 O ATOM 182 CB GLU A 15 -9.406 3.889 -6.014 1.00 0.00 C ATOM 183 CG GLU A 15 -9.255 4.641 -4.702 1.00 0.00 C ATOM 184 CD GLU A 15 -10.471 5.483 -4.368 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.576 4.911 -4.258 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.319 6.713 -4.217 1.00 0.00 O ATOM 0 H GLU A 15 -8.981 1.766 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.328 2.511 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.326 4.596 -6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.405 3.455 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.080 3.927 -3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.376 5.284 -4.755 1.00 0.00 H new ATOM 193 N VAL A 16 -6.026 3.174 -6.683 1.00 0.00 N ATOM 194 CA VAL A 16 -4.664 3.611 -6.398 1.00 0.00 C ATOM 195 C VAL A 16 -4.460 5.069 -6.794 1.00 0.00 C ATOM 196 O VAL A 16 -4.971 5.523 -7.819 1.00 0.00 O ATOM 197 CB VAL A 16 -3.630 2.741 -7.137 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.976 2.637 -8.614 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.229 3.302 -6.947 1.00 0.00 C ATOM 0 H VAL A 16 -6.160 2.795 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.516 3.505 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.656 1.738 -6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.234 2.019 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.962 2.185 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.981 3.633 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.511 2.675 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.186 4.316 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.984 3.317 -5.885 1.00 0.00 H new ATOM 209 N LYS A 17 -3.710 5.799 -5.977 1.00 0.00 N ATOM 210 CA LYS A 17 -3.436 7.207 -6.241 1.00 0.00 C ATOM 211 C LYS A 17 -1.941 7.444 -6.428 1.00 0.00 C ATOM 212 O LYS A 17 -1.125 6.977 -5.633 1.00 0.00 O ATOM 213 CB LYS A 17 -3.961 8.074 -5.095 1.00 0.00 C ATOM 214 CG LYS A 17 -3.455 7.648 -3.728 1.00 0.00 C ATOM 215 CD LYS A 17 -3.560 8.778 -2.717 1.00 0.00 C ATOM 216 CE LYS A 17 -3.759 8.246 -1.306 1.00 0.00 C ATOM 217 NZ LYS A 17 -2.462 8.006 -0.616 1.00 0.00 N ATOM 0 H LYS A 17 -3.280 5.439 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.948 7.485 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.673 9.110 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.051 8.042 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.029 6.791 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.417 7.325 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.656 9.386 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.393 9.429 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.351 8.957 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.327 7.317 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.465 7.057 -0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.685 8.075 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.329 8.718 0.130 1.00 0.00 H new ATOM 231 N ILE A 18 -1.589 8.173 -7.482 1.00 0.00 N ATOM 232 CA ILE A 18 -0.192 8.474 -7.770 1.00 0.00 C ATOM 233 C ILE A 18 0.247 9.759 -7.078 1.00 0.00 C ATOM 234 O ILE A 18 -0.176 10.854 -7.450 1.00 0.00 O ATOM 235 CB ILE A 18 0.053 8.609 -9.285 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.352 7.323 -10.006 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.513 8.939 -9.557 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.528 6.139 -9.671 1.00 0.00 C ATOM 0 H ILE A 18 -2.252 8.566 -8.150 1.00 0.00 H new ATOM 0 HA ILE A 18 0.397 7.640 -7.388 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.561 9.425 -9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.384 7.082 -9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.322 7.495 -11.082 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.671 9.031 -10.632 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.770 9.880 -9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.145 8.143 -9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.182 5.262 -10.218 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.558 6.360 -9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.479 5.941 -8.600 1.00 0.00 H new ATOM 250 N VAL A 19 1.102 9.619 -6.070 1.00 0.00 N ATOM 251 CA VAL A 19 1.602 10.770 -5.326 1.00 0.00 C ATOM 252 C VAL A 19 2.936 11.248 -5.888 1.00 0.00 C ATOM 253 O VAL A 19 3.865 10.460 -6.065 1.00 0.00 O ATOM 254 CB VAL A 19 1.776 10.440 -3.832 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.411 11.611 -3.097 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.437 10.072 -3.209 1.00 0.00 C ATOM 0 H VAL A 19 1.463 8.720 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 19 0.861 11.562 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 19 2.442 9.581 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.526 11.360 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.389 11.824 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.773 12.490 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.578 9.842 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.253 10.910 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.026 9.201 -3.719 1.00 0.00 H new ATOM 266 N GLU A 20 3.024 12.546 -6.165 1.00 0.00 N ATOM 267 CA GLU A 20 4.246 13.129 -6.707 1.00 0.00 C ATOM 268 C GLU A 20 5.213 13.504 -5.588 1.00 0.00 C ATOM 269 O GLU A 20 5.018 14.500 -4.891 1.00 0.00 O ATOM 270 CB GLU A 20 3.917 14.366 -7.547 1.00 0.00 C ATOM 271 CG GLU A 20 3.651 14.054 -9.010 1.00 0.00 C ATOM 272 CD GLU A 20 2.893 15.163 -9.714 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.673 15.287 -9.484 1.00 0.00 O ATOM 274 OE2 GLU A 20 3.523 15.907 -10.496 1.00 0.00 O ATOM 0 H GLU A 20 2.265 13.212 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 20 4.724 12.383 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.042 14.860 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.745 15.072 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.599 13.886 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.082 13.127 -9.082 1.00 0.00 H new ATOM 281 N LEU A 21 6.256 12.698 -5.421 1.00 0.00 N ATOM 282 CA LEU A 21 7.254 12.943 -4.386 1.00 0.00 C ATOM 283 C LEU A 21 8.579 13.383 -5.001 1.00 0.00 C ATOM 284 O LEU A 21 9.131 12.701 -5.866 1.00 0.00 O ATOM 285 CB LEU A 21 7.463 11.683 -3.543 1.00 0.00 C ATOM 286 CG LEU A 21 6.412 11.414 -2.466 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.938 10.419 -1.444 1.00 0.00 C ATOM 288 CD2 LEU A 21 6.000 12.712 -1.787 1.00 0.00 C ATOM 0 H LEU A 21 6.432 11.869 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 21 6.888 13.745 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.496 10.824 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.439 11.750 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 21 5.532 10.982 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.176 10.240 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.182 9.481 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.833 10.822 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.251 12.501 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.872 13.173 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.581 13.393 -2.528 1.00 0.00 H new ATOM 300 N VAL A 22 9.086 14.525 -4.548 1.00 0.00 N ATOM 301 CA VAL A 22 10.347 15.055 -5.051 1.00 0.00 C ATOM 302 C VAL A 22 11.524 14.551 -4.223 1.00 0.00 C ATOM 303 O VAL A 22 11.789 15.055 -3.131 1.00 0.00 O ATOM 304 CB VAL A 22 10.351 16.595 -5.046 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.726 17.126 -5.422 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.287 17.133 -5.990 1.00 0.00 C ATOM 0 H VAL A 22 8.642 15.101 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 22 10.451 14.703 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 22 10.118 16.939 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.710 18.216 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.463 16.768 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.991 16.775 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.304 18.223 -5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.487 16.782 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.306 16.781 -5.671 1.00 0.00 H new ATOM 316 N LYS A 23 12.227 13.554 -4.748 1.00 0.00 N ATOM 317 CA LYS A 23 13.378 12.982 -4.059 1.00 0.00 C ATOM 318 C LYS A 23 14.523 13.987 -3.985 1.00 0.00 C ATOM 319 O LYS A 23 14.861 14.631 -4.979 1.00 0.00 O ATOM 320 CB LYS A 23 13.846 11.712 -4.772 1.00 0.00 C ATOM 321 CG LYS A 23 15.133 11.136 -4.207 1.00 0.00 C ATOM 322 CD LYS A 23 15.330 9.690 -4.632 1.00 0.00 C ATOM 323 CE LYS A 23 16.797 9.291 -4.585 1.00 0.00 C ATOM 324 NZ LYS A 23 16.969 7.843 -4.287 1.00 0.00 N ATOM 0 H LYS A 23 12.020 13.125 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 23 13.073 12.730 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.061 10.958 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.990 11.931 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.979 11.734 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.113 11.197 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.753 9.036 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.946 9.551 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.267 9.523 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.310 9.881 -3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.976 7.638 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.428 7.598 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.623 7.280 -5.090 1.00 0.00 H new ATOM 338 N ASP A 24 15.116 14.116 -2.804 1.00 0.00 N ATOM 339 CA ASP A 24 16.225 15.041 -2.601 1.00 0.00 C ATOM 340 C ASP A 24 17.563 14.319 -2.720 1.00 0.00 C ATOM 341 O ASP A 24 17.616 13.089 -2.748 1.00 0.00 O ATOM 342 CB ASP A 24 16.113 15.713 -1.232 1.00 0.00 C ATOM 343 CG ASP A 24 17.320 16.572 -0.908 1.00 0.00 C ATOM 344 OD1 ASP A 24 17.639 17.475 -1.710 1.00 0.00 O ATOM 345 OD2 ASP A 24 17.946 16.340 0.147 1.00 0.00 O ATOM 0 H ASP A 24 14.847 13.591 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 24 16.175 15.805 -3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.214 16.329 -1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.998 14.949 -0.464 1.00 0.00 H new ATOM 350 N CYS A 25 18.642 15.091 -2.790 1.00 0.00 N ATOM 351 CA CYS A 25 19.981 14.524 -2.907 1.00 0.00 C ATOM 352 C CYS A 25 20.162 13.352 -1.949 1.00 0.00 C ATOM 353 O CYS A 25 20.859 12.385 -2.257 1.00 0.00 O ATOM 354 CB CYS A 25 21.037 15.595 -2.627 1.00 0.00 C ATOM 355 SG CYS A 25 20.923 16.330 -0.979 1.00 0.00 S ATOM 0 H CYS A 25 18.616 16.110 -2.768 1.00 0.00 H new ATOM 0 HA CYS A 25 20.105 14.158 -3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.027 15.155 -2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.945 16.385 -3.373 1.00 0.00 H new ATOM 0 HG CYS A 25 19.737 16.118 -0.490 1.00 0.00 H new ATOM 361 N LYS A 26 19.530 13.444 -0.783 1.00 0.00 N ATOM 362 CA LYS A 26 19.620 12.392 0.222 1.00 0.00 C ATOM 363 C LYS A 26 18.719 11.216 -0.140 1.00 0.00 C ATOM 364 O LYS A 26 19.148 10.063 -0.114 1.00 0.00 O ATOM 365 CB LYS A 26 19.234 12.939 1.598 1.00 0.00 C ATOM 366 CG LYS A 26 17.799 13.430 1.677 1.00 0.00 C ATOM 367 CD LYS A 26 17.521 14.132 2.996 1.00 0.00 C ATOM 368 CE LYS A 26 17.219 13.136 4.105 1.00 0.00 C ATOM 369 NZ LYS A 26 15.811 12.653 4.048 1.00 0.00 N ATOM 0 H LYS A 26 18.950 14.237 -0.511 1.00 0.00 H new ATOM 0 HA LYS A 26 20.651 12.041 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.384 12.159 2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.904 13.759 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.602 14.114 0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.118 12.587 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.383 14.739 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.678 14.812 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.898 12.287 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.404 13.603 5.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.551 12.231 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.178 13.452 3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.719 11.938 3.299 1.00 0.00 H new ATOM 383 N GLY A 27 17.468 11.515 -0.478 1.00 0.00 N ATOM 384 CA GLY A 27 16.528 10.471 -0.842 1.00 0.00 C ATOM 385 C GLY A 27 15.109 10.798 -0.421 1.00 0.00 C ATOM 386 O GLY A 27 14.685 11.953 -0.484 1.00 0.00 O ATOM 0 H GLY A 27 17.089 12.462 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.558 10.319 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.834 9.533 -0.379 1.00 0.00 H new ATOM 390 N LEU A 28 14.371 9.779 0.006 1.00 0.00 N ATOM 391 CA LEU A 28 12.989 9.963 0.437 1.00 0.00 C ATOM 392 C LEU A 28 12.924 10.326 1.917 1.00 0.00 C ATOM 393 O LEU A 28 13.952 10.515 2.566 1.00 0.00 O ATOM 394 CB LEU A 28 12.180 8.692 0.176 1.00 0.00 C ATOM 395 CG LEU A 28 11.789 8.432 -1.280 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.343 9.722 -1.951 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.949 7.806 -2.040 1.00 0.00 C ATOM 0 H LEU A 28 14.706 8.817 0.063 1.00 0.00 H new ATOM 0 HA LEU A 28 12.561 10.784 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.756 7.839 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.269 8.736 0.774 1.00 0.00 H new ATOM 0 HG LEU A 28 10.953 7.732 -1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.069 9.518 -2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.482 10.129 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.158 10.445 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.653 7.628 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.805 8.481 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.222 6.860 -1.573 1.00 0.00 H new ATOM 409 N GLY A 29 11.707 10.420 2.445 1.00 0.00 N ATOM 410 CA GLY A 29 11.531 10.757 3.846 1.00 0.00 C ATOM 411 C GLY A 29 10.512 9.869 4.532 1.00 0.00 C ATOM 412 O GLY A 29 9.840 10.295 5.472 1.00 0.00 O ATOM 0 H GLY A 29 10.841 10.269 1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.488 10.671 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.217 11.797 3.930 1.00 0.00 H new ATOM 416 N PHE A 30 10.395 8.632 4.061 1.00 0.00 N ATOM 417 CA PHE A 30 9.449 7.682 4.634 1.00 0.00 C ATOM 418 C PHE A 30 10.078 6.298 4.762 1.00 0.00 C ATOM 419 O PHE A 30 11.236 6.095 4.400 1.00 0.00 O ATOM 420 CB PHE A 30 8.187 7.604 3.773 1.00 0.00 C ATOM 421 CG PHE A 30 8.465 7.297 2.329 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.525 5.986 1.885 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.668 8.319 1.416 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.780 5.699 0.557 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.923 8.039 0.087 1.00 0.00 C ATOM 426 CZ PHE A 30 8.981 6.728 -0.343 1.00 0.00 C ATOM 0 H PHE A 30 10.944 8.264 3.284 1.00 0.00 H new ATOM 0 HA PHE A 30 9.179 8.032 5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.527 6.837 4.179 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.653 8.552 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.371 5.178 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.626 9.346 1.747 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.822 4.673 0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.077 8.845 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.183 6.507 -1.381 1.00 0.00 H new ATOM 436 N SER A 31 9.305 5.349 5.280 1.00 0.00 N ATOM 437 CA SER A 31 9.786 3.984 5.461 1.00 0.00 C ATOM 438 C SER A 31 8.754 2.974 4.968 1.00 0.00 C ATOM 439 O SER A 31 7.616 3.332 4.662 1.00 0.00 O ATOM 440 CB SER A 31 10.107 3.724 6.934 1.00 0.00 C ATOM 441 OG SER A 31 11.340 4.320 7.300 1.00 0.00 O ATOM 0 H SER A 31 8.343 5.500 5.582 1.00 0.00 H new ATOM 0 HA SER A 31 10.695 3.865 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.308 4.121 7.559 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.150 2.650 7.116 1.00 0.00 H new ATOM 0 HG SER A 31 11.522 4.141 8.246 1.00 0.00 H new ATOM 447 N ILE A 32 9.160 1.711 4.893 1.00 0.00 N ATOM 448 CA ILE A 32 8.272 0.649 4.438 1.00 0.00 C ATOM 449 C ILE A 32 8.518 -0.642 5.211 1.00 0.00 C ATOM 450 O ILE A 32 9.595 -0.846 5.774 1.00 0.00 O ATOM 451 CB ILE A 32 8.446 0.375 2.933 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.916 0.518 2.533 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.576 1.320 2.118 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.304 -0.332 1.343 1.00 0.00 C ATOM 0 H ILE A 32 10.099 1.398 5.142 1.00 0.00 H new ATOM 0 HA ILE A 32 7.253 0.990 4.621 1.00 0.00 H new ATOM 0 HB ILE A 32 8.130 -0.648 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.122 1.564 2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.543 0.248 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.710 1.114 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.530 1.174 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.864 2.350 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.359 -0.180 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.130 -1.383 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.702 -0.046 0.480 1.00 0.00 H new ATOM 466 N LEU A 33 7.515 -1.513 5.233 1.00 0.00 N ATOM 467 CA LEU A 33 7.623 -2.787 5.935 1.00 0.00 C ATOM 468 C LEU A 33 6.912 -3.895 5.165 1.00 0.00 C ATOM 469 O LEU A 33 6.235 -3.637 4.169 1.00 0.00 O ATOM 470 CB LEU A 33 7.033 -2.668 7.341 1.00 0.00 C ATOM 471 CG LEU A 33 5.539 -2.969 7.470 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.145 -3.099 8.933 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.716 -1.886 6.788 1.00 0.00 C ATOM 0 H LEU A 33 6.618 -1.360 4.773 1.00 0.00 H new ATOM 0 HA LEU A 33 8.680 -3.043 6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.578 -3.344 8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.212 -1.656 7.704 1.00 0.00 H new ATOM 0 HG LEU A 33 5.335 -3.918 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.079 -3.313 9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.710 -3.911 9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.364 -2.166 9.453 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.656 -2.117 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.924 -0.923 7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.978 -1.842 5.731 1.00 0.00 H new ATOM 485 N ASP A 34 7.068 -5.128 5.633 1.00 0.00 N ATOM 486 CA ASP A 34 6.438 -6.276 4.990 1.00 0.00 C ATOM 487 C ASP A 34 5.180 -6.697 5.743 1.00 0.00 C ATOM 488 O ASP A 34 5.224 -6.969 6.943 1.00 0.00 O ATOM 489 CB ASP A 34 7.419 -7.447 4.915 1.00 0.00 C ATOM 490 CG ASP A 34 7.825 -7.951 6.287 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.581 -7.240 6.980 1.00 0.00 O ATOM 492 OD2 ASP A 34 7.387 -9.058 6.665 1.00 0.00 O ATOM 0 H ASP A 34 7.625 -5.359 6.455 1.00 0.00 H new ATOM 0 HA ASP A 34 6.154 -5.985 3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.965 -8.262 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.309 -7.137 4.367 1.00 0.00 H new ATOM 497 N TYR A 35 4.060 -6.748 5.030 1.00 0.00 N ATOM 498 CA TYR A 35 2.789 -7.133 5.631 1.00 0.00 C ATOM 499 C TYR A 35 2.316 -8.479 5.090 1.00 0.00 C ATOM 500 O TYR A 35 2.760 -8.925 4.033 1.00 0.00 O ATOM 501 CB TYR A 35 1.730 -6.062 5.364 1.00 0.00 C ATOM 502 CG TYR A 35 0.675 -5.971 6.444 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.342 -6.914 6.530 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.695 -4.941 7.377 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.308 -6.835 7.515 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.267 -4.855 8.365 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.266 -5.803 8.430 1.00 0.00 C ATOM 508 OH TYR A 35 -2.226 -5.720 9.412 1.00 0.00 O ATOM 0 H TYR A 35 4.007 -6.528 4.036 1.00 0.00 H new ATOM 0 HA TYR A 35 2.938 -7.227 6.707 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.221 -5.094 5.265 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.245 -6.272 4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.378 -7.722 5.815 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.475 -4.196 7.329 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.091 -7.577 7.568 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.237 -4.049 9.083 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.052 -4.937 9.974 1.00 0.00 H new ATOM 518 N GLN A 36 1.411 -9.119 5.824 1.00 0.00 N ATOM 519 CA GLN A 36 0.876 -10.413 5.418 1.00 0.00 C ATOM 520 C GLN A 36 -0.648 -10.393 5.406 1.00 0.00 C ATOM 521 O GLN A 36 -1.282 -10.030 6.397 1.00 0.00 O ATOM 522 CB GLN A 36 1.377 -11.512 6.357 1.00 0.00 C ATOM 523 CG GLN A 36 2.666 -12.169 5.893 1.00 0.00 C ATOM 524 CD GLN A 36 2.960 -13.462 6.627 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.026 -13.624 7.221 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.012 -14.392 6.591 1.00 0.00 N ATOM 0 H GLN A 36 1.033 -8.763 6.702 1.00 0.00 H new ATOM 0 HA GLN A 36 1.225 -10.621 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.532 -11.088 7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.605 -12.275 6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.602 -12.369 4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.495 -11.477 6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.143 -14.215 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.153 -15.283 7.068 1.00 0.00 H new ATOM 535 N ASP A 37 -1.231 -10.785 4.278 1.00 0.00 N ATOM 536 CA ASP A 37 -2.683 -10.813 4.137 1.00 0.00 C ATOM 537 C ASP A 37 -3.331 -11.517 5.326 1.00 0.00 C ATOM 538 O ASP A 37 -2.835 -12.526 5.827 1.00 0.00 O ATOM 539 CB ASP A 37 -3.077 -11.515 2.837 1.00 0.00 C ATOM 540 CG ASP A 37 -4.508 -11.223 2.432 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.419 -11.920 2.928 1.00 0.00 O ATOM 542 OD2 ASP A 37 -4.718 -10.297 1.621 1.00 0.00 O ATOM 0 H ASP A 37 -0.721 -11.088 3.448 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.040 -9.784 4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.405 -11.199 2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.948 -12.591 2.955 1.00 0.00 H new ATOM 547 N PRO A 38 -4.465 -10.972 5.790 1.00 0.00 N ATOM 548 CA PRO A 38 -5.205 -11.531 6.925 1.00 0.00 C ATOM 549 C PRO A 38 -5.867 -12.862 6.587 1.00 0.00 C ATOM 550 O PRO A 38 -6.318 -13.586 7.475 1.00 0.00 O ATOM 551 CB PRO A 38 -6.265 -10.465 7.217 1.00 0.00 C ATOM 552 CG PRO A 38 -6.454 -9.755 5.921 1.00 0.00 C ATOM 553 CD PRO A 38 -5.113 -9.769 5.241 1.00 0.00 C ATOM 0 HA PRO A 38 -4.552 -11.746 7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.196 -10.916 7.561 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.934 -9.781 7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.207 -10.253 5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.799 -8.734 6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.213 -9.825 4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.541 -8.868 5.462 1.00 0.00 H new ATOM 561 N LEU A 39 -5.922 -13.179 5.298 1.00 0.00 N ATOM 562 CA LEU A 39 -6.529 -14.425 4.842 1.00 0.00 C ATOM 563 C LEU A 39 -5.567 -15.206 3.954 1.00 0.00 C ATOM 564 O LEU A 39 -5.798 -16.377 3.650 1.00 0.00 O ATOM 565 CB LEU A 39 -7.824 -14.136 4.080 1.00 0.00 C ATOM 566 CG LEU A 39 -8.731 -13.061 4.682 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.816 -12.665 3.693 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.346 -13.550 5.984 1.00 0.00 C ATOM 0 H LEU A 39 -5.554 -12.591 4.550 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.758 -15.031 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.565 -13.838 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.393 -15.063 4.005 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.126 -12.181 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.452 -11.900 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.356 -12.273 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.419 -13.539 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.988 -12.772 6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.938 -14.445 5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.554 -13.783 6.696 1.00 0.00 H new ATOM 580 N ASP A 40 -4.487 -14.552 3.542 1.00 0.00 N ATOM 581 CA ASP A 40 -3.487 -15.187 2.691 1.00 0.00 C ATOM 582 C ASP A 40 -2.099 -15.087 3.316 1.00 0.00 C ATOM 583 O ASP A 40 -1.389 -14.094 3.158 1.00 0.00 O ATOM 584 CB ASP A 40 -3.482 -14.541 1.304 1.00 0.00 C ATOM 585 CG ASP A 40 -4.384 -15.266 0.325 1.00 0.00 C ATOM 586 OD1 ASP A 40 -5.440 -15.775 0.756 1.00 0.00 O ATOM 587 OD2 ASP A 40 -4.035 -15.322 -0.872 1.00 0.00 O ATOM 0 H ASP A 40 -4.281 -13.583 3.783 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.747 -16.241 2.592 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.803 -13.503 1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.464 -14.529 0.915 1.00 0.00 H new ATOM 592 N PRO A 41 -1.701 -16.141 4.045 1.00 0.00 N ATOM 593 CA PRO A 41 -0.396 -16.196 4.710 1.00 0.00 C ATOM 594 C PRO A 41 0.755 -16.324 3.718 1.00 0.00 C ATOM 595 O PRO A 41 1.893 -15.967 4.021 1.00 0.00 O ATOM 596 CB PRO A 41 -0.494 -17.452 5.580 1.00 0.00 C ATOM 597 CG PRO A 41 -1.507 -18.306 4.900 1.00 0.00 C ATOM 598 CD PRO A 41 -2.495 -17.359 4.276 1.00 0.00 C ATOM 0 HA PRO A 41 -0.187 -15.286 5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.468 -17.960 5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.801 -17.206 6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.041 -18.938 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.998 -18.970 5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.900 -17.757 3.346 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.341 -17.168 4.936 1.00 0.00 H new ATOM 606 N THR A 42 0.451 -16.836 2.529 1.00 0.00 N ATOM 607 CA THR A 42 1.460 -17.012 1.492 1.00 0.00 C ATOM 608 C THR A 42 1.616 -15.747 0.656 1.00 0.00 C ATOM 609 O THR A 42 2.357 -15.728 -0.326 1.00 0.00 O ATOM 610 CB THR A 42 1.111 -18.189 0.562 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.162 -17.965 -0.055 1.00 0.00 O ATOM 612 CG2 THR A 42 1.082 -19.499 1.335 1.00 0.00 C ATOM 0 H THR A 42 -0.486 -17.136 2.261 1.00 0.00 H new ATOM 0 HA THR A 42 2.400 -17.227 2.000 1.00 0.00 H new ATOM 0 HB THR A 42 1.880 -18.256 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.376 -18.717 -0.646 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.833 -20.316 0.657 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.061 -19.681 1.779 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.331 -19.440 2.123 1.00 0.00 H new ATOM 620 N ARG A 43 0.912 -14.692 1.052 1.00 0.00 N ATOM 621 CA ARG A 43 0.972 -13.422 0.338 1.00 0.00 C ATOM 622 C ARG A 43 1.572 -12.330 1.219 1.00 0.00 C ATOM 623 O ARG A 43 1.455 -12.373 2.444 1.00 0.00 O ATOM 624 CB ARG A 43 -0.426 -13.007 -0.126 1.00 0.00 C ATOM 625 CG ARG A 43 -0.957 -13.841 -1.280 1.00 0.00 C ATOM 626 CD ARG A 43 -1.984 -13.072 -2.096 1.00 0.00 C ATOM 627 NE ARG A 43 -1.364 -12.304 -3.173 1.00 0.00 N ATOM 628 CZ ARG A 43 -2.049 -11.738 -4.160 1.00 0.00 C ATOM 629 NH1 ARG A 43 -3.369 -11.853 -4.207 1.00 0.00 N ATOM 630 NH2 ARG A 43 -1.413 -11.055 -5.104 1.00 0.00 N ATOM 0 H ARG A 43 0.294 -14.691 1.863 1.00 0.00 H new ATOM 0 HA ARG A 43 1.613 -13.554 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.116 -13.084 0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.404 -11.959 -0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.130 -14.142 -1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.408 -14.755 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.707 -13.769 -2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.536 -12.398 -1.441 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.350 -12.197 -3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.861 -12.377 -3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.892 -11.417 -4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.398 -10.965 -5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.940 -10.621 -5.862 1.00 0.00 H new ATOM 644 N SER A 44 2.215 -11.354 0.587 1.00 0.00 N ATOM 645 CA SER A 44 2.838 -10.253 1.314 1.00 0.00 C ATOM 646 C SER A 44 2.718 -8.949 0.531 1.00 0.00 C ATOM 647 O SER A 44 2.793 -8.940 -0.698 1.00 0.00 O ATOM 648 CB SER A 44 4.311 -10.563 1.588 1.00 0.00 C ATOM 649 OG SER A 44 4.956 -11.045 0.421 1.00 0.00 O ATOM 0 H SER A 44 2.319 -11.303 -0.426 1.00 0.00 H new ATOM 0 HA SER A 44 2.316 -10.136 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.816 -9.664 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.388 -11.305 2.383 1.00 0.00 H new ATOM 0 HG SER A 44 5.896 -11.234 0.621 1.00 0.00 H new ATOM 655 N VAL A 45 2.531 -7.848 1.253 1.00 0.00 N ATOM 656 CA VAL A 45 2.402 -6.537 0.628 1.00 0.00 C ATOM 657 C VAL A 45 3.185 -5.481 1.399 1.00 0.00 C ATOM 658 O VAL A 45 3.255 -5.520 2.628 1.00 0.00 O ATOM 659 CB VAL A 45 0.927 -6.102 0.536 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.099 -7.166 -0.169 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.370 -5.814 1.922 1.00 0.00 C ATOM 0 H VAL A 45 2.466 -7.838 2.271 1.00 0.00 H new ATOM 0 HA VAL A 45 2.811 -6.625 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 45 0.873 -5.185 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.940 -6.841 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.486 -7.319 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.157 -8.101 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.673 -5.508 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.437 -6.713 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.947 -5.014 2.387 1.00 0.00 H new ATOM 671 N ILE A 46 3.772 -4.538 0.670 1.00 0.00 N ATOM 672 CA ILE A 46 4.548 -3.469 1.287 1.00 0.00 C ATOM 673 C ILE A 46 3.653 -2.307 1.702 1.00 0.00 C ATOM 674 O ILE A 46 2.899 -1.770 0.890 1.00 0.00 O ATOM 675 CB ILE A 46 5.640 -2.946 0.335 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.652 -4.052 0.027 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.337 -1.737 0.941 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.346 -4.595 1.257 1.00 0.00 C ATOM 0 H ILE A 46 3.725 -4.492 -0.348 1.00 0.00 H new ATOM 0 HA ILE A 46 5.021 -3.894 2.173 1.00 0.00 H new ATOM 0 HB ILE A 46 5.170 -2.639 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.141 -4.869 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.402 -3.665 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.106 -1.379 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.608 -0.945 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.797 -2.019 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.049 -5.375 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.885 -3.790 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.605 -5.012 1.939 1.00 0.00 H new ATOM 690 N VAL A 47 3.741 -1.923 2.971 1.00 0.00 N ATOM 691 CA VAL A 47 2.941 -0.823 3.495 1.00 0.00 C ATOM 692 C VAL A 47 3.815 0.378 3.837 1.00 0.00 C ATOM 693 O VAL A 47 5.043 0.302 3.778 1.00 0.00 O ATOM 694 CB VAL A 47 2.156 -1.247 4.751 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.837 -0.495 4.835 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.924 -2.750 4.751 1.00 0.00 C ATOM 0 H VAL A 47 4.359 -2.358 3.656 1.00 0.00 H new ATOM 0 HA VAL A 47 2.236 -0.544 2.712 1.00 0.00 H new ATOM 0 HB VAL A 47 2.747 -0.994 5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.296 -0.807 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.032 0.576 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.236 -0.714 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.368 -3.032 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.353 -3.030 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.884 -3.266 4.742 1.00 0.00 H new ATOM 706 N ILE A 48 3.175 1.487 4.193 1.00 0.00 N ATOM 707 CA ILE A 48 3.895 2.704 4.546 1.00 0.00 C ATOM 708 C ILE A 48 4.218 2.739 6.036 1.00 0.00 C ATOM 709 O ILE A 48 3.427 3.228 6.842 1.00 0.00 O ATOM 710 CB ILE A 48 3.087 3.963 4.178 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.838 4.012 2.669 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.817 5.215 4.641 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.073 4.349 1.864 1.00 0.00 C ATOM 0 H ILE A 48 2.159 1.568 4.245 1.00 0.00 H new ATOM 0 HA ILE A 48 4.824 2.698 3.975 1.00 0.00 H new ATOM 0 HB ILE A 48 2.123 3.920 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.452 3.047 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.065 4.752 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.234 6.096 4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.948 5.181 5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.793 5.266 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.822 4.366 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.447 5.328 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.841 3.596 2.043 1.00 0.00 H new ATOM 725 N ARG A 49 5.388 2.219 6.394 1.00 0.00 N ATOM 726 CA ARG A 49 5.817 2.191 7.787 1.00 0.00 C ATOM 727 C ARG A 49 5.454 3.494 8.494 1.00 0.00 C ATOM 728 O ARG A 49 4.663 3.500 9.438 1.00 0.00 O ATOM 729 CB ARG A 49 7.326 1.955 7.874 1.00 0.00 C ATOM 730 CG ARG A 49 7.867 1.991 9.293 1.00 0.00 C ATOM 731 CD ARG A 49 7.472 0.746 10.072 1.00 0.00 C ATOM 732 NE ARG A 49 8.327 0.534 11.237 1.00 0.00 N ATOM 733 CZ ARG A 49 8.158 -0.460 12.101 1.00 0.00 C ATOM 734 NH1 ARG A 49 7.172 -1.330 11.932 1.00 0.00 N ATOM 735 NH2 ARG A 49 8.978 -0.587 13.137 1.00 0.00 N ATOM 0 H ARG A 49 6.055 1.812 5.739 1.00 0.00 H new ATOM 0 HA ARG A 49 5.299 1.371 8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.560 0.988 7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.838 2.711 7.280 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.953 2.076 9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.490 2.877 9.805 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.435 0.835 10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.529 -0.124 9.418 1.00 0.00 H new ATOM 0 HE ARG A 49 9.096 1.185 11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.541 -1.237 11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.045 -2.092 12.598 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.739 0.079 13.270 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.847 -1.351 13.800 1.00 0.00 H new ATOM 749 N SER A 50 6.037 4.595 8.031 1.00 0.00 N ATOM 750 CA SER A 50 5.778 5.903 8.621 1.00 0.00 C ATOM 751 C SER A 50 6.472 7.005 7.826 1.00 0.00 C ATOM 752 O SER A 50 7.433 6.751 7.099 1.00 0.00 O ATOM 753 CB SER A 50 6.253 5.933 10.075 1.00 0.00 C ATOM 754 OG SER A 50 5.487 6.845 10.844 1.00 0.00 O ATOM 0 H SER A 50 6.692 4.607 7.249 1.00 0.00 H new ATOM 0 HA SER A 50 4.703 6.080 8.593 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.176 4.935 10.506 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.305 6.216 10.111 1.00 0.00 H new ATOM 0 HG SER A 50 5.809 6.844 11.769 1.00 0.00 H new ATOM 760 N LEU A 51 5.976 8.229 7.968 1.00 0.00 N ATOM 761 CA LEU A 51 6.547 9.372 7.263 1.00 0.00 C ATOM 762 C LEU A 51 7.466 10.173 8.179 1.00 0.00 C ATOM 763 O LEU A 51 7.020 10.757 9.167 1.00 0.00 O ATOM 764 CB LEU A 51 5.434 10.272 6.724 1.00 0.00 C ATOM 765 CG LEU A 51 4.129 9.571 6.344 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.072 10.590 5.948 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.366 8.579 5.214 1.00 0.00 C ATOM 0 H LEU A 51 5.180 8.456 8.564 1.00 0.00 H new ATOM 0 HA LEU A 51 7.137 8.995 6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.211 11.029 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.811 10.796 5.846 1.00 0.00 H new ATOM 0 HG LEU A 51 3.767 9.022 7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.150 10.073 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.882 11.261 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.425 11.167 5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.427 8.089 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.751 9.107 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.090 7.830 5.534 1.00 0.00 H new ATOM 779 N VAL A 52 8.752 10.199 7.844 1.00 0.00 N ATOM 780 CA VAL A 52 9.734 10.932 8.634 1.00 0.00 C ATOM 781 C VAL A 52 9.305 12.381 8.838 1.00 0.00 C ATOM 782 O VAL A 52 8.591 12.949 8.012 1.00 0.00 O ATOM 783 CB VAL A 52 11.122 10.908 7.967 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.119 11.721 8.779 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.605 9.476 7.794 1.00 0.00 C ATOM 0 H VAL A 52 9.138 9.720 7.030 1.00 0.00 H new ATOM 0 HA VAL A 52 9.796 10.435 9.602 1.00 0.00 H new ATOM 0 HB VAL A 52 11.039 11.361 6.979 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.094 11.692 8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.777 12.754 8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.201 11.300 9.781 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.587 9.478 7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.673 8.995 8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.902 8.928 7.167 1.00 0.00 H new ATOM 795 N ALA A 53 9.745 12.973 9.943 1.00 0.00 N ATOM 796 CA ALA A 53 9.409 14.357 10.254 1.00 0.00 C ATOM 797 C ALA A 53 9.802 15.287 9.112 1.00 0.00 C ATOM 798 O ALA A 53 10.985 15.457 8.816 1.00 0.00 O ATOM 799 CB ALA A 53 10.088 14.787 11.546 1.00 0.00 C ATOM 0 H ALA A 53 10.335 12.516 10.638 1.00 0.00 H new ATOM 0 HA ALA A 53 8.329 14.423 10.385 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.828 15.822 11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.754 14.147 12.363 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.169 14.699 11.436 1.00 0.00 H new ATOM 805 N ASP A 54 8.804 15.888 8.475 1.00 0.00 N ATOM 806 CA ASP A 54 9.045 16.803 7.365 1.00 0.00 C ATOM 807 C ASP A 54 9.745 16.087 6.213 1.00 0.00 C ATOM 808 O ASP A 54 10.506 16.694 5.462 1.00 0.00 O ATOM 809 CB ASP A 54 9.888 17.991 7.829 1.00 0.00 C ATOM 810 CG ASP A 54 9.189 18.815 8.893 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.587 18.216 9.808 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.246 20.060 8.811 1.00 0.00 O ATOM 0 H ASP A 54 7.819 15.758 8.708 1.00 0.00 H new ATOM 0 HA ASP A 54 8.081 17.168 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.838 17.628 8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.117 18.626 6.974 1.00 0.00 H new ATOM 817 N GLY A 55 9.481 14.790 6.082 1.00 0.00 N ATOM 818 CA GLY A 55 10.094 14.012 5.021 1.00 0.00 C ATOM 819 C GLY A 55 9.384 14.183 3.693 1.00 0.00 C ATOM 820 O GLY A 55 8.191 14.483 3.652 1.00 0.00 O ATOM 0 H GLY A 55 8.854 14.265 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.137 14.309 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.090 12.958 5.299 1.00 0.00 H new ATOM 824 N VAL A 56 10.119 13.992 2.601 1.00 0.00 N ATOM 825 CA VAL A 56 9.553 14.127 1.265 1.00 0.00 C ATOM 826 C VAL A 56 8.103 13.655 1.232 1.00 0.00 C ATOM 827 O VAL A 56 7.257 14.261 0.575 1.00 0.00 O ATOM 828 CB VAL A 56 10.365 13.329 0.228 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.680 13.366 -1.130 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.784 13.868 0.134 1.00 0.00 C ATOM 0 H VAL A 56 11.108 13.743 2.617 1.00 0.00 H new ATOM 0 HA VAL A 56 9.593 15.186 1.010 1.00 0.00 H new ATOM 0 HB VAL A 56 10.417 12.290 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.268 12.797 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.685 12.929 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.595 14.399 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.344 13.293 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.756 14.915 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.271 13.783 1.106 1.00 0.00 H new ATOM 840 N ALA A 57 7.824 12.570 1.946 1.00 0.00 N ATOM 841 CA ALA A 57 6.476 12.018 2.001 1.00 0.00 C ATOM 842 C ALA A 57 5.491 13.031 2.574 1.00 0.00 C ATOM 843 O ALA A 57 4.588 13.493 1.877 1.00 0.00 O ATOM 844 CB ALA A 57 6.462 10.741 2.828 1.00 0.00 C ATOM 0 H ALA A 57 8.513 12.056 2.494 1.00 0.00 H new ATOM 0 HA ALA A 57 6.165 11.783 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.449 10.340 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.129 10.007 2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.798 10.960 3.841 1.00 0.00 H new ATOM 850 N GLU A 58 5.670 13.371 3.846 1.00 0.00 N ATOM 851 CA GLU A 58 4.795 14.329 4.511 1.00 0.00 C ATOM 852 C GLU A 58 4.784 15.662 3.769 1.00 0.00 C ATOM 853 O GLU A 58 3.730 16.269 3.577 1.00 0.00 O ATOM 854 CB GLU A 58 5.242 14.542 5.959 1.00 0.00 C ATOM 855 CG GLU A 58 4.153 15.107 6.856 1.00 0.00 C ATOM 856 CD GLU A 58 4.710 15.868 8.042 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.365 15.236 8.897 1.00 0.00 O ATOM 858 OE2 GLU A 58 4.492 17.095 8.116 1.00 0.00 O ATOM 0 H GLU A 58 6.413 12.997 4.437 1.00 0.00 H new ATOM 0 HA GLU A 58 3.784 13.922 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.582 13.591 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.097 15.218 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.514 15.769 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.524 14.292 7.215 1.00 0.00 H new ATOM 865 N ARG A 59 5.964 16.112 3.355 1.00 0.00 N ATOM 866 CA ARG A 59 6.091 17.374 2.636 1.00 0.00 C ATOM 867 C ARG A 59 5.062 17.466 1.513 1.00 0.00 C ATOM 868 O ARG A 59 4.261 18.400 1.466 1.00 0.00 O ATOM 869 CB ARG A 59 7.501 17.519 2.062 1.00 0.00 C ATOM 870 CG ARG A 59 8.555 17.840 3.110 1.00 0.00 C ATOM 871 CD ARG A 59 9.887 18.197 2.470 1.00 0.00 C ATOM 872 NE ARG A 59 9.930 19.591 2.036 1.00 0.00 N ATOM 873 CZ ARG A 59 10.928 20.110 1.330 1.00 0.00 C ATOM 874 NH1 ARG A 59 11.960 19.355 0.979 1.00 0.00 N ATOM 875 NH2 ARG A 59 10.895 21.388 0.973 1.00 0.00 N ATOM 0 H ARG A 59 6.846 15.621 3.505 1.00 0.00 H new ATOM 0 HA ARG A 59 5.908 18.185 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.775 16.594 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.498 18.307 1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.213 18.670 3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.686 16.983 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.692 18.014 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.064 17.545 1.614 1.00 0.00 H new ATOM 0 HE ARG A 59 9.151 20.199 2.289 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.989 18.372 1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.725 19.757 0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.103 21.972 1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.662 21.786 0.431 1.00 0.00 H new ATOM 889 N SER A 60 5.090 16.490 0.611 1.00 0.00 N ATOM 890 CA SER A 60 4.163 16.463 -0.515 1.00 0.00 C ATOM 891 C SER A 60 2.717 16.487 -0.028 1.00 0.00 C ATOM 892 O SER A 60 1.891 17.243 -0.539 1.00 0.00 O ATOM 893 CB SER A 60 4.403 15.219 -1.371 1.00 0.00 C ATOM 894 OG SER A 60 3.790 14.078 -0.797 1.00 0.00 O ATOM 0 H SER A 60 5.744 15.708 0.638 1.00 0.00 H new ATOM 0 HA SER A 60 4.340 17.352 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.008 15.382 -2.374 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.474 15.046 -1.475 1.00 0.00 H new ATOM 0 HG SER A 60 4.134 13.944 0.111 1.00 0.00 H new ATOM 900 N GLY A 61 2.419 15.654 0.964 1.00 0.00 N ATOM 901 CA GLY A 61 1.073 15.595 1.504 1.00 0.00 C ATOM 902 C GLY A 61 0.187 14.625 0.748 1.00 0.00 C ATOM 903 O GLY A 61 -0.955 14.943 0.420 1.00 0.00 O ATOM 0 H GLY A 61 3.085 15.019 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.118 15.300 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.628 16.590 1.472 1.00 0.00 H new ATOM 907 N GLY A 62 0.715 13.437 0.468 1.00 0.00 N ATOM 908 CA GLY A 62 -0.049 12.437 -0.255 1.00 0.00 C ATOM 909 C GLY A 62 0.084 11.055 0.354 1.00 0.00 C ATOM 910 O GLY A 62 -0.838 10.242 0.274 1.00 0.00 O ATOM 0 H GLY A 62 1.658 13.149 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.100 12.726 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.286 12.408 -1.292 1.00 0.00 H new ATOM 914 N LEU A 63 1.233 10.787 0.963 1.00 0.00 N ATOM 915 CA LEU A 63 1.484 9.492 1.587 1.00 0.00 C ATOM 916 C LEU A 63 1.087 9.511 3.060 1.00 0.00 C ATOM 917 O LEU A 63 1.030 10.571 3.685 1.00 0.00 O ATOM 918 CB LEU A 63 2.960 9.115 1.450 1.00 0.00 C ATOM 919 CG LEU A 63 3.382 8.535 0.099 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.320 9.602 -0.983 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.781 7.942 0.187 1.00 0.00 C ATOM 0 H LEU A 63 2.006 11.448 1.038 1.00 0.00 H new ATOM 0 HA LEU A 63 0.876 8.746 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.561 10.003 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.203 8.389 2.226 1.00 0.00 H new ATOM 0 HG LEU A 63 2.687 7.738 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.624 9.171 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.301 9.980 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.991 10.421 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.065 7.534 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.488 8.720 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.793 7.147 0.933 1.00 0.00 H new ATOM 933 N LEU A 64 0.816 8.333 3.610 1.00 0.00 N ATOM 934 CA LEU A 64 0.427 8.213 5.010 1.00 0.00 C ATOM 935 C LEU A 64 0.785 6.836 5.560 1.00 0.00 C ATOM 936 O LEU A 64 0.873 5.851 4.826 1.00 0.00 O ATOM 937 CB LEU A 64 -1.075 8.462 5.166 1.00 0.00 C ATOM 938 CG LEU A 64 -1.550 9.890 4.897 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.065 9.933 4.766 1.00 0.00 C ATOM 940 CD2 LEU A 64 -1.082 10.825 6.003 1.00 0.00 C ATOM 0 H LEU A 64 0.859 7.447 3.107 1.00 0.00 H new ATOM 0 HA LEU A 64 0.975 8.964 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.606 7.791 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.365 8.189 6.181 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.115 10.226 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.385 10.957 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.377 9.295 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.520 9.577 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.429 11.837 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.488 10.491 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.007 10.817 6.049 1.00 0.00 H new ATOM 952 N PRO A 65 0.996 6.763 6.882 1.00 0.00 N ATOM 953 CA PRO A 65 1.346 5.511 7.560 1.00 0.00 C ATOM 954 C PRO A 65 0.183 4.525 7.592 1.00 0.00 C ATOM 955 O PRO A 65 -0.864 4.804 8.173 1.00 0.00 O ATOM 956 CB PRO A 65 1.702 5.963 8.978 1.00 0.00 C ATOM 957 CG PRO A 65 0.955 7.237 9.169 1.00 0.00 C ATOM 958 CD PRO A 65 0.909 7.896 7.818 1.00 0.00 C ATOM 0 HA PRO A 65 2.153 4.983 7.051 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.408 5.217 9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.776 6.114 9.087 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.050 7.047 9.545 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.453 7.876 9.898 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.012 8.462 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.736 8.593 7.683 1.00 0.00 H new ATOM 966 N GLY A 66 0.376 3.369 6.963 1.00 0.00 N ATOM 967 CA GLY A 66 -0.666 2.359 6.931 1.00 0.00 C ATOM 968 C GLY A 66 -1.106 2.024 5.520 1.00 0.00 C ATOM 969 O GLY A 66 -1.616 0.933 5.265 1.00 0.00 O ATOM 0 H GLY A 66 1.235 3.114 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.306 1.454 7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.525 2.710 7.503 1.00 0.00 H new ATOM 973 N ASP A 67 -0.912 2.965 4.603 1.00 0.00 N ATOM 974 CA ASP A 67 -1.294 2.764 3.210 1.00 0.00 C ATOM 975 C ASP A 67 -0.371 1.756 2.533 1.00 0.00 C ATOM 976 O ASP A 67 0.822 1.694 2.831 1.00 0.00 O ATOM 977 CB ASP A 67 -1.260 4.093 2.453 1.00 0.00 C ATOM 978 CG ASP A 67 -2.174 5.134 3.070 1.00 0.00 C ATOM 979 OD1 ASP A 67 -3.101 4.745 3.812 1.00 0.00 O ATOM 980 OD2 ASP A 67 -1.962 6.337 2.811 1.00 0.00 O ATOM 0 H ASP A 67 -0.493 3.874 4.799 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.310 2.369 3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.239 4.473 2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.553 3.925 1.417 1.00 0.00 H new ATOM 985 N ARG A 68 -0.931 0.967 1.622 1.00 0.00 N ATOM 986 CA ARG A 68 -0.159 -0.041 0.905 1.00 0.00 C ATOM 987 C ARG A 68 0.468 0.550 -0.355 1.00 0.00 C ATOM 988 O ARG A 68 -0.226 1.119 -1.199 1.00 0.00 O ATOM 989 CB ARG A 68 -1.049 -1.229 0.535 1.00 0.00 C ATOM 990 CG ARG A 68 -0.298 -2.367 -0.137 1.00 0.00 C ATOM 991 CD ARG A 68 -1.192 -3.132 -1.100 1.00 0.00 C ATOM 992 NE ARG A 68 -0.452 -4.149 -1.842 1.00 0.00 N ATOM 993 CZ ARG A 68 -1.030 -5.048 -2.631 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.347 -5.056 -2.780 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.289 -5.942 -3.274 1.00 0.00 N ATOM 0 H ARG A 68 -1.917 1.006 1.363 1.00 0.00 H new ATOM 0 HA ARG A 68 0.640 -0.385 1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.531 -1.606 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.841 -0.885 -0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.562 -1.969 -0.675 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.088 -3.048 0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.002 -3.606 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.651 -2.434 -1.800 1.00 0.00 H new ATOM 0 HE ARG A 68 0.564 -4.170 -1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.920 -4.370 -2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.787 -5.748 -3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.725 -5.939 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.733 -6.632 -3.880 1.00 0.00 H new ATOM 1009 N LEU A 69 1.784 0.411 -0.475 1.00 0.00 N ATOM 1010 CA LEU A 69 2.505 0.931 -1.632 1.00 0.00 C ATOM 1011 C LEU A 69 2.438 -0.047 -2.800 1.00 0.00 C ATOM 1012 O LEU A 69 2.943 -1.166 -2.716 1.00 0.00 O ATOM 1013 CB LEU A 69 3.964 1.207 -1.266 1.00 0.00 C ATOM 1014 CG LEU A 69 4.883 1.603 -2.422 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.388 2.878 -3.086 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.313 1.775 -1.932 1.00 0.00 C ATOM 0 H LEU A 69 2.373 -0.057 0.214 1.00 0.00 H new ATOM 0 HA LEU A 69 2.030 1.864 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.987 2.003 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.374 0.315 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 69 4.868 0.803 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.055 3.144 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.382 2.719 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.372 3.686 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.953 2.057 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.346 2.555 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.667 0.837 -1.505 1.00 0.00 H new ATOM 1028 N VAL A 70 1.813 0.384 -3.891 1.00 0.00 N ATOM 1029 CA VAL A 70 1.683 -0.452 -5.079 1.00 0.00 C ATOM 1030 C VAL A 70 3.011 -0.566 -5.819 1.00 0.00 C ATOM 1031 O VAL A 70 3.499 -1.667 -6.074 1.00 0.00 O ATOM 1032 CB VAL A 70 0.617 0.104 -6.042 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.429 -0.831 -7.227 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.699 0.323 -5.311 1.00 0.00 C ATOM 0 H VAL A 70 1.389 1.308 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 70 1.375 -1.440 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 70 0.960 1.067 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.328 -0.422 -7.897 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.372 -0.932 -7.764 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.108 -1.810 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.441 0.716 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.051 -0.625 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.550 1.035 -4.499 1.00 0.00 H new ATOM 1044 N SER A 71 3.592 0.580 -6.161 1.00 0.00 N ATOM 1045 CA SER A 71 4.863 0.609 -6.875 1.00 0.00 C ATOM 1046 C SER A 71 5.570 1.945 -6.671 1.00 0.00 C ATOM 1047 O SER A 71 4.983 2.900 -6.162 1.00 0.00 O ATOM 1048 CB SER A 71 4.640 0.359 -8.367 1.00 0.00 C ATOM 1049 OG SER A 71 3.382 0.860 -8.786 1.00 0.00 O ATOM 0 H SER A 71 3.203 1.500 -5.955 1.00 0.00 H new ATOM 0 HA SER A 71 5.496 -0.182 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.434 0.836 -8.941 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.696 -0.710 -8.572 1.00 0.00 H new ATOM 0 HG SER A 71 3.264 0.689 -9.744 1.00 0.00 H new ATOM 1055 N VAL A 72 6.835 2.006 -7.073 1.00 0.00 N ATOM 1056 CA VAL A 72 7.624 3.225 -6.937 1.00 0.00 C ATOM 1057 C VAL A 72 8.387 3.532 -8.221 1.00 0.00 C ATOM 1058 O VAL A 72 9.339 2.835 -8.570 1.00 0.00 O ATOM 1059 CB VAL A 72 8.624 3.119 -5.771 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.463 4.383 -5.670 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.893 2.849 -4.465 1.00 0.00 C ATOM 0 H VAL A 72 7.336 1.225 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 72 6.923 4.034 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 72 9.294 2.282 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.164 4.289 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.016 4.527 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.811 5.240 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.615 2.777 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.198 3.664 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.341 1.912 -4.544 1.00 0.00 H new ATOM 1071 N ASN A 73 7.962 4.580 -8.919 1.00 0.00 N ATOM 1072 CA ASN A 73 8.606 4.980 -10.164 1.00 0.00 C ATOM 1073 C ASN A 73 8.487 3.881 -11.216 1.00 0.00 C ATOM 1074 O ASN A 73 9.452 3.571 -11.914 1.00 0.00 O ATOM 1075 CB ASN A 73 10.080 5.309 -9.919 1.00 0.00 C ATOM 1076 CG ASN A 73 10.297 6.770 -9.574 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.375 7.460 -9.138 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.520 7.249 -9.770 1.00 0.00 N ATOM 0 H ASN A 73 7.175 5.167 -8.644 1.00 0.00 H new ATOM 0 HA ASN A 73 8.099 5.871 -10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.458 4.687 -9.108 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.658 5.059 -10.809 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.726 8.225 -9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.254 6.641 -10.133 1.00 0.00 H new ATOM 1085 N GLU A 74 7.298 3.297 -11.322 1.00 0.00 N ATOM 1086 CA GLU A 74 7.054 2.232 -12.288 1.00 0.00 C ATOM 1087 C GLU A 74 7.805 0.962 -11.899 1.00 0.00 C ATOM 1088 O GLU A 74 8.526 0.382 -12.711 1.00 0.00 O ATOM 1089 CB GLU A 74 7.475 2.679 -13.689 1.00 0.00 C ATOM 1090 CG GLU A 74 6.740 1.955 -14.805 1.00 0.00 C ATOM 1091 CD GLU A 74 7.239 2.347 -16.182 1.00 0.00 C ATOM 1092 OE1 GLU A 74 7.420 3.559 -16.424 1.00 0.00 O ATOM 1093 OE2 GLU A 74 7.448 1.443 -17.018 1.00 0.00 O ATOM 0 H GLU A 74 6.489 3.543 -10.751 1.00 0.00 H new ATOM 0 HA GLU A 74 5.986 2.015 -12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.302 3.751 -13.787 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.547 2.517 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.856 0.879 -14.673 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.674 2.172 -14.734 1.00 0.00 H new ATOM 1100 N TYR A 75 7.631 0.537 -10.653 1.00 0.00 N ATOM 1101 CA TYR A 75 8.295 -0.662 -10.154 1.00 0.00 C ATOM 1102 C TYR A 75 7.311 -1.558 -9.408 1.00 0.00 C ATOM 1103 O TYR A 75 6.895 -1.247 -8.291 1.00 0.00 O ATOM 1104 CB TYR A 75 9.456 -0.282 -9.234 1.00 0.00 C ATOM 1105 CG TYR A 75 10.769 -0.096 -9.961 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.132 1.144 -10.473 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.646 -1.159 -10.134 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.329 1.318 -11.139 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.847 -0.993 -10.797 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.184 0.247 -11.298 1.00 0.00 C ATOM 1111 OH TYR A 75 14.379 0.418 -11.959 1.00 0.00 O ATOM 0 H TYR A 75 7.036 1.005 -9.969 1.00 0.00 H new ATOM 0 HA TYR A 75 8.685 -1.214 -11.009 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.206 0.641 -8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.576 -1.056 -8.476 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.467 1.986 -10.348 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.385 -2.132 -9.744 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.595 2.288 -11.533 1.00 0.00 H new ATOM 0 HE2 TYR A 75 13.518 -1.830 -10.922 1.00 0.00 H new ATOM 0 HH TYR A 75 14.864 -0.433 -11.984 1.00 0.00 H new ATOM 1121 N CYS A 76 6.945 -2.672 -10.032 1.00 0.00 N ATOM 1122 CA CYS A 76 6.010 -3.615 -9.428 1.00 0.00 C ATOM 1123 C CYS A 76 6.559 -4.157 -8.113 1.00 0.00 C ATOM 1124 O CYS A 76 7.465 -4.992 -8.102 1.00 0.00 O ATOM 1125 CB CYS A 76 5.725 -4.769 -10.390 1.00 0.00 C ATOM 1126 SG CYS A 76 5.011 -4.254 -11.970 1.00 0.00 S ATOM 0 H CYS A 76 7.281 -2.945 -10.956 1.00 0.00 H new ATOM 0 HA CYS A 76 5.080 -3.085 -9.222 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.654 -5.306 -10.581 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.045 -5.471 -9.907 1.00 0.00 H new ATOM 0 HG CYS A 76 4.808 -5.299 -12.716 1.00 0.00 H new ATOM 1132 N LEU A 77 6.006 -3.676 -7.004 1.00 0.00 N ATOM 1133 CA LEU A 77 6.441 -4.111 -5.682 1.00 0.00 C ATOM 1134 C LEU A 77 5.511 -5.186 -5.129 1.00 0.00 C ATOM 1135 O LEU A 77 5.610 -5.567 -3.962 1.00 0.00 O ATOM 1136 CB LEU A 77 6.491 -2.921 -4.722 1.00 0.00 C ATOM 1137 CG LEU A 77 7.439 -1.786 -5.109 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.496 -0.738 -4.008 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.830 -2.329 -5.403 1.00 0.00 C ATOM 0 H LEU A 77 5.256 -2.985 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 77 7.441 -4.535 -5.777 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.485 -2.512 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.778 -3.287 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 77 7.057 -1.313 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.176 0.062 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.500 -0.326 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.853 -1.198 -3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.491 -1.507 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.220 -2.829 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.776 -3.041 -6.227 1.00 0.00 H new ATOM 1151 N ASP A 78 4.609 -5.672 -5.974 1.00 0.00 N ATOM 1152 CA ASP A 78 3.662 -6.706 -5.572 1.00 0.00 C ATOM 1153 C ASP A 78 4.393 -7.935 -5.041 1.00 0.00 C ATOM 1154 O ASP A 78 5.333 -8.428 -5.664 1.00 0.00 O ATOM 1155 CB ASP A 78 2.769 -7.097 -6.750 1.00 0.00 C ATOM 1156 CG ASP A 78 1.669 -6.086 -7.004 1.00 0.00 C ATOM 1157 OD1 ASP A 78 0.594 -6.209 -6.381 1.00 0.00 O ATOM 1158 OD2 ASP A 78 1.884 -5.170 -7.826 1.00 0.00 O ATOM 0 H ASP A 78 4.513 -5.367 -6.942 1.00 0.00 H new ATOM 0 HA ASP A 78 3.039 -6.303 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.380 -7.198 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.324 -8.073 -6.556 1.00 0.00 H new ATOM 1163 N ASN A 79 3.956 -8.425 -3.886 1.00 0.00 N ATOM 1164 CA ASN A 79 4.570 -9.596 -3.270 1.00 0.00 C ATOM 1165 C ASN A 79 6.092 -9.498 -3.313 1.00 0.00 C ATOM 1166 O ASN A 79 6.776 -10.440 -3.714 1.00 0.00 O ATOM 1167 CB ASN A 79 4.110 -10.871 -3.980 1.00 0.00 C ATOM 1168 CG ASN A 79 2.756 -11.349 -3.491 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.627 -12.458 -2.973 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.739 -10.510 -3.654 1.00 0.00 N ATOM 0 H ASN A 79 3.179 -8.029 -3.357 1.00 0.00 H new ATOM 0 HA ASN A 79 4.255 -9.635 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.062 -10.689 -5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.848 -11.657 -3.823 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.804 -10.776 -3.344 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.893 -9.600 -4.089 1.00 0.00 H new ATOM 1177 N THR A 80 6.617 -8.350 -2.895 1.00 0.00 N ATOM 1178 CA THR A 80 8.058 -8.127 -2.885 1.00 0.00 C ATOM 1179 C THR A 80 8.619 -8.221 -1.471 1.00 0.00 C ATOM 1180 O THR A 80 7.934 -7.903 -0.499 1.00 0.00 O ATOM 1181 CB THR A 80 8.417 -6.752 -3.478 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.736 -6.562 -4.723 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.918 -6.631 -3.693 1.00 0.00 C ATOM 0 H THR A 80 6.066 -7.560 -2.559 1.00 0.00 H new ATOM 0 HA THR A 80 8.503 -8.908 -3.502 1.00 0.00 H new ATOM 0 HB THR A 80 8.103 -5.984 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.393 -6.429 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.148 -5.652 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.433 -6.747 -2.739 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.251 -7.408 -4.382 1.00 0.00 H new ATOM 1191 N SER A 81 9.870 -8.658 -1.364 1.00 0.00 N ATOM 1192 CA SER A 81 10.522 -8.796 -0.067 1.00 0.00 C ATOM 1193 C SER A 81 11.018 -7.445 0.439 1.00 0.00 C ATOM 1194 O SER A 81 11.637 -6.680 -0.303 1.00 0.00 O ATOM 1195 CB SER A 81 11.692 -9.778 -0.163 1.00 0.00 C ATOM 1196 OG SER A 81 12.692 -9.294 -1.043 1.00 0.00 O ATOM 0 H SER A 81 10.452 -8.922 -2.159 1.00 0.00 H new ATOM 0 HA SER A 81 9.789 -9.182 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.120 -9.937 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.332 -10.745 -0.513 1.00 0.00 H new ATOM 0 HG SER A 81 13.429 -9.938 -1.086 1.00 0.00 H new ATOM 1202 N LEU A 82 10.741 -7.157 1.706 1.00 0.00 N ATOM 1203 CA LEU A 82 11.158 -5.897 2.313 1.00 0.00 C ATOM 1204 C LEU A 82 12.515 -5.457 1.775 1.00 0.00 C ATOM 1205 O LEU A 82 12.680 -4.321 1.331 1.00 0.00 O ATOM 1206 CB LEU A 82 11.220 -6.038 3.834 1.00 0.00 C ATOM 1207 CG LEU A 82 11.948 -4.920 4.583 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.200 -3.604 4.436 1.00 0.00 C ATOM 1209 CD2 LEU A 82 12.112 -5.281 6.052 1.00 0.00 C ATOM 0 H LEU A 82 10.230 -7.778 2.333 1.00 0.00 H new ATOM 0 HA LEU A 82 10.422 -5.136 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.201 -6.099 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.707 -6.984 4.072 1.00 0.00 H new ATOM 0 HG LEU A 82 12.939 -4.802 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.733 -2.821 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.135 -3.338 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.196 -3.709 4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.632 -4.474 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.130 -5.427 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.692 -6.200 6.138 1.00 0.00 H new ATOM 1221 N ALA A 83 13.485 -6.365 1.817 1.00 0.00 N ATOM 1222 CA ALA A 83 14.828 -6.071 1.331 1.00 0.00 C ATOM 1223 C ALA A 83 14.791 -5.550 -0.102 1.00 0.00 C ATOM 1224 O ALA A 83 15.462 -4.574 -0.433 1.00 0.00 O ATOM 1225 CB ALA A 83 15.704 -7.312 1.421 1.00 0.00 C ATOM 0 H ALA A 83 13.366 -7.310 2.182 1.00 0.00 H new ATOM 0 HA ALA A 83 15.254 -5.291 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.704 -7.079 1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.765 -7.640 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.272 -8.107 0.814 1.00 0.00 H new ATOM 1231 N GLU A 84 14.003 -6.208 -0.946 1.00 0.00 N ATOM 1232 CA GLU A 84 13.881 -5.811 -2.344 1.00 0.00 C ATOM 1233 C GLU A 84 13.225 -4.438 -2.464 1.00 0.00 C ATOM 1234 O GLU A 84 13.678 -3.586 -3.228 1.00 0.00 O ATOM 1235 CB GLU A 84 13.068 -6.847 -3.123 1.00 0.00 C ATOM 1236 CG GLU A 84 13.914 -7.952 -3.732 1.00 0.00 C ATOM 1237 CD GLU A 84 13.270 -8.572 -4.957 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.632 -7.828 -5.731 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.404 -9.799 -5.141 1.00 0.00 O ATOM 0 H GLU A 84 13.440 -7.018 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 84 14.884 -5.754 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.329 -7.292 -2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.518 -6.342 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.890 -7.550 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.086 -8.727 -2.985 1.00 0.00 H new ATOM 1246 N ALA A 85 12.154 -4.232 -1.704 1.00 0.00 N ATOM 1247 CA ALA A 85 11.436 -2.964 -1.723 1.00 0.00 C ATOM 1248 C ALA A 85 12.356 -1.807 -1.350 1.00 0.00 C ATOM 1249 O ALA A 85 12.382 -0.778 -2.026 1.00 0.00 O ATOM 1250 CB ALA A 85 10.243 -3.019 -0.780 1.00 0.00 C ATOM 0 H ALA A 85 11.765 -4.927 -1.067 1.00 0.00 H new ATOM 0 HA ALA A 85 11.075 -2.794 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.716 -2.065 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.568 -3.815 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.590 -3.216 0.234 1.00 0.00 H new ATOM 1256 N VAL A 86 13.109 -1.981 -0.268 1.00 0.00 N ATOM 1257 CA VAL A 86 14.031 -0.950 0.195 1.00 0.00 C ATOM 1258 C VAL A 86 15.088 -0.644 -0.860 1.00 0.00 C ATOM 1259 O VAL A 86 15.393 0.518 -1.127 1.00 0.00 O ATOM 1260 CB VAL A 86 14.731 -1.370 1.501 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.767 -0.333 1.909 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.711 -1.581 2.609 1.00 0.00 C ATOM 0 H VAL A 86 13.099 -2.826 0.304 1.00 0.00 H new ATOM 0 HA VAL A 86 13.438 -0.054 0.381 1.00 0.00 H new ATOM 0 HB VAL A 86 15.246 -2.315 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.251 -0.647 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.515 -0.237 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.278 0.629 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.224 -1.877 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.165 -0.653 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.012 -2.364 2.315 1.00 0.00 H new ATOM 1272 N GLU A 87 15.642 -1.694 -1.457 1.00 0.00 N ATOM 1273 CA GLU A 87 16.666 -1.536 -2.484 1.00 0.00 C ATOM 1274 C GLU A 87 16.128 -0.743 -3.671 1.00 0.00 C ATOM 1275 O GLU A 87 16.839 0.073 -4.259 1.00 0.00 O ATOM 1276 CB GLU A 87 17.163 -2.905 -2.954 1.00 0.00 C ATOM 1277 CG GLU A 87 18.192 -3.530 -2.027 1.00 0.00 C ATOM 1278 CD GLU A 87 18.695 -4.869 -2.532 1.00 0.00 C ATOM 1279 OE1 GLU A 87 19.477 -4.880 -3.505 1.00 0.00 O ATOM 1280 OE2 GLU A 87 18.306 -5.905 -1.953 1.00 0.00 O ATOM 0 H GLU A 87 15.400 -2.662 -1.248 1.00 0.00 H new ATOM 0 HA GLU A 87 17.499 -0.984 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.312 -3.579 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.597 -2.803 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 87 19.035 -2.849 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.753 -3.661 -1.038 1.00 0.00 H new ATOM 1287 N ILE A 88 14.869 -0.989 -4.018 1.00 0.00 N ATOM 1288 CA ILE A 88 14.236 -0.298 -5.134 1.00 0.00 C ATOM 1289 C ILE A 88 14.080 1.191 -4.842 1.00 0.00 C ATOM 1290 O ILE A 88 14.209 2.027 -5.737 1.00 0.00 O ATOM 1291 CB ILE A 88 12.852 -0.894 -5.454 1.00 0.00 C ATOM 1292 CG1 ILE A 88 13.003 -2.274 -6.096 1.00 0.00 C ATOM 1293 CG2 ILE A 88 12.071 0.039 -6.367 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.851 -3.208 -5.801 1.00 0.00 C ATOM 0 H ILE A 88 14.268 -1.662 -3.542 1.00 0.00 H new ATOM 0 HA ILE A 88 14.888 -0.431 -5.997 1.00 0.00 H new ATOM 0 HB ILE A 88 12.297 -1.006 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.096 -2.155 -7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.929 -2.730 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.096 -0.396 -6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.937 1.002 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.620 0.181 -7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.026 -4.167 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.770 -3.357 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.925 -2.774 -6.178 1.00 0.00 H new ATOM 1306 N LEU A 89 13.805 1.515 -3.584 1.00 0.00 N ATOM 1307 CA LEU A 89 13.634 2.904 -3.171 1.00 0.00 C ATOM 1308 C LEU A 89 14.982 3.611 -3.067 1.00 0.00 C ATOM 1309 O LEU A 89 15.058 4.839 -3.127 1.00 0.00 O ATOM 1310 CB LEU A 89 12.905 2.972 -1.829 1.00 0.00 C ATOM 1311 CG LEU A 89 11.379 3.041 -1.897 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.771 2.789 -0.525 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.930 4.390 -2.440 1.00 0.00 C ATOM 0 H LEU A 89 13.696 0.835 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 89 13.036 3.411 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.183 2.097 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.264 3.847 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 89 11.030 2.263 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.684 2.842 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.065 1.800 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.128 3.544 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.841 4.421 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.291 5.184 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.336 4.532 -3.442 1.00 0.00 H new ATOM 1325 N LYS A 90 16.044 2.829 -2.913 1.00 0.00 N ATOM 1326 CA LYS A 90 17.391 3.378 -2.805 1.00 0.00 C ATOM 1327 C LYS A 90 18.047 3.485 -4.177 1.00 0.00 C ATOM 1328 O LYS A 90 18.892 4.350 -4.406 1.00 0.00 O ATOM 1329 CB LYS A 90 18.247 2.506 -1.884 1.00 0.00 C ATOM 1330 CG LYS A 90 17.984 2.739 -0.407 1.00 0.00 C ATOM 1331 CD LYS A 90 18.230 1.481 0.409 1.00 0.00 C ATOM 1332 CE LYS A 90 19.695 1.344 0.794 1.00 0.00 C ATOM 1333 NZ LYS A 90 20.470 0.593 -0.232 1.00 0.00 N ATOM 0 H LYS A 90 15.999 1.811 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 90 17.315 4.379 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.062 1.457 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.300 2.698 -2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.627 3.541 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.954 3.069 -0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.617 1.505 1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.920 0.608 -0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.130 2.335 0.925 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.772 0.833 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.460 0.506 0.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 20.060 -0.355 -0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 20.432 1.103 -1.138 1.00 0.00 H new ATOM 1347 N ALA A 91 17.652 2.600 -5.087 1.00 0.00 N ATOM 1348 CA ALA A 91 18.200 2.598 -6.438 1.00 0.00 C ATOM 1349 C ALA A 91 17.477 3.605 -7.326 1.00 0.00 C ATOM 1350 O ALA A 91 17.978 3.990 -8.382 1.00 0.00 O ATOM 1351 CB ALA A 91 18.114 1.203 -7.040 1.00 0.00 C ATOM 0 H ALA A 91 16.955 1.876 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 91 19.248 2.893 -6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.527 1.216 -8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.682 0.505 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.072 0.887 -7.078 1.00 0.00 H new ATOM 1357 N VAL A 92 16.294 4.028 -6.891 1.00 0.00 N ATOM 1358 CA VAL A 92 15.501 4.991 -7.646 1.00 0.00 C ATOM 1359 C VAL A 92 16.217 6.334 -7.745 1.00 0.00 C ATOM 1360 O VAL A 92 16.775 6.841 -6.772 1.00 0.00 O ATOM 1361 CB VAL A 92 14.118 5.205 -7.005 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.242 6.016 -5.724 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.175 5.885 -7.986 1.00 0.00 C ATOM 0 H VAL A 92 15.864 3.719 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 92 15.369 4.578 -8.646 1.00 0.00 H new ATOM 0 HB VAL A 92 13.701 4.231 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.254 6.157 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.880 5.485 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.681 6.988 -5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.202 6.028 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.585 6.853 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.061 5.262 -8.873 1.00 0.00 H new ATOM 1373 N PRO A 93 16.200 6.926 -8.949 1.00 0.00 N ATOM 1374 CA PRO A 93 16.841 8.219 -9.204 1.00 0.00 C ATOM 1375 C PRO A 93 16.116 9.371 -8.519 1.00 0.00 C ATOM 1376 O PRO A 93 14.927 9.291 -8.208 1.00 0.00 O ATOM 1377 CB PRO A 93 16.756 8.363 -10.726 1.00 0.00 C ATOM 1378 CG PRO A 93 15.586 7.529 -11.120 1.00 0.00 C ATOM 1379 CD PRO A 93 15.553 6.378 -10.153 1.00 0.00 C ATOM 0 HA PRO A 93 17.859 8.253 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.617 9.404 -11.018 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.670 8.016 -11.208 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.662 8.105 -11.072 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.687 7.174 -12.146 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.533 6.054 -9.949 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.091 5.513 -10.540 1.00 0.00 H new ATOM 1387 N PRO A 94 16.845 10.471 -8.277 1.00 0.00 N ATOM 1388 CA PRO A 94 16.290 11.662 -7.626 1.00 0.00 C ATOM 1389 C PRO A 94 15.296 12.398 -8.517 1.00 0.00 C ATOM 1390 O PRO A 94 15.145 12.076 -9.695 1.00 0.00 O ATOM 1391 CB PRO A 94 17.523 12.531 -7.368 1.00 0.00 C ATOM 1392 CG PRO A 94 18.511 12.103 -8.397 1.00 0.00 C ATOM 1393 CD PRO A 94 18.268 10.636 -8.620 1.00 0.00 C ATOM 0 HA PRO A 94 15.732 11.412 -6.724 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.287 13.591 -7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.910 12.379 -6.360 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.380 12.665 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.531 12.282 -8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.469 10.347 -9.652 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.908 10.022 -7.987 1.00 0.00 H new ATOM 1401 N GLY A 95 14.619 13.391 -7.946 1.00 0.00 N ATOM 1402 CA GLY A 95 13.648 14.158 -8.704 1.00 0.00 C ATOM 1403 C GLY A 95 12.226 13.684 -8.471 1.00 0.00 C ATOM 1404 O GLY A 95 11.935 13.044 -7.460 1.00 0.00 O ATOM 0 H GLY A 95 14.726 13.677 -6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.727 15.210 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.882 14.087 -9.766 1.00 0.00 H new ATOM 1408 N LEU A 96 11.339 14.001 -9.407 1.00 0.00 N ATOM 1409 CA LEU A 96 9.939 13.605 -9.298 1.00 0.00 C ATOM 1410 C LEU A 96 9.813 12.099 -9.098 1.00 0.00 C ATOM 1411 O LEU A 96 10.409 11.312 -9.833 1.00 0.00 O ATOM 1412 CB LEU A 96 9.170 14.031 -10.551 1.00 0.00 C ATOM 1413 CG LEU A 96 7.645 14.037 -10.432 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.098 12.619 -10.504 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.213 14.712 -9.139 1.00 0.00 C ATOM 0 H LEU A 96 11.564 14.531 -10.249 1.00 0.00 H new ATOM 0 HA LEU A 96 9.512 14.105 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.497 15.033 -10.831 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.448 13.365 -11.368 1.00 0.00 H new ATOM 0 HG LEU A 96 7.237 14.605 -11.268 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.012 12.643 -10.418 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.376 12.170 -11.457 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.514 12.027 -9.689 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.125 14.707 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.632 14.172 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.572 15.741 -9.128 1.00 0.00 H new ATOM 1427 N VAL A 97 9.031 11.703 -8.098 1.00 0.00 N ATOM 1428 CA VAL A 97 8.823 10.291 -7.802 1.00 0.00 C ATOM 1429 C VAL A 97 7.349 9.917 -7.912 1.00 0.00 C ATOM 1430 O VAL A 97 6.547 10.248 -7.039 1.00 0.00 O ATOM 1431 CB VAL A 97 9.328 9.933 -6.392 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.043 8.472 -6.077 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.814 10.233 -6.266 1.00 0.00 C ATOM 0 H VAL A 97 8.531 12.341 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 97 9.394 9.726 -8.539 1.00 0.00 H new ATOM 0 HB VAL A 97 8.794 10.547 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.407 8.238 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.969 8.293 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.549 7.838 -6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.154 9.974 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.367 9.646 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.987 11.294 -6.445 1.00 0.00 H new ATOM 1443 N HIS A 98 6.999 9.224 -8.991 1.00 0.00 N ATOM 1444 CA HIS A 98 5.621 8.804 -9.216 1.00 0.00 C ATOM 1445 C HIS A 98 5.379 7.409 -8.646 1.00 0.00 C ATOM 1446 O HIS A 98 5.807 6.409 -9.223 1.00 0.00 O ATOM 1447 CB HIS A 98 5.297 8.820 -10.710 1.00 0.00 C ATOM 1448 CG HIS A 98 4.931 10.177 -11.229 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.547 10.759 -12.316 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.003 11.066 -10.804 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.016 11.948 -12.537 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.076 12.158 -11.633 1.00 0.00 N ATOM 0 H HIS A 98 7.651 8.942 -9.723 1.00 0.00 H new ATOM 0 HA HIS A 98 4.965 9.507 -8.703 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.159 8.448 -11.264 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.474 8.132 -10.902 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.330 10.940 -9.968 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.302 12.632 -13.323 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.498 12.996 -11.562 1.00 0.00 H new ATOM 1461 N LEU A 99 4.691 7.351 -7.511 1.00 0.00 N ATOM 1462 CA LEU A 99 4.393 6.079 -6.862 1.00 0.00 C ATOM 1463 C LEU A 99 2.913 5.983 -6.506 1.00 0.00 C ATOM 1464 O LEU A 99 2.296 6.968 -6.103 1.00 0.00 O ATOM 1465 CB LEU A 99 5.244 5.914 -5.602 1.00 0.00 C ATOM 1466 CG LEU A 99 5.204 7.076 -4.609 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.012 6.941 -3.676 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.501 7.143 -3.815 1.00 0.00 C ATOM 0 H LEU A 99 4.329 8.169 -7.021 1.00 0.00 H new ATOM 0 HA LEU A 99 4.632 5.278 -7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.922 5.010 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.279 5.756 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 99 5.096 8.004 -5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.001 7.777 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.091 6.943 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.088 6.006 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.455 7.976 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.640 6.212 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.338 7.289 -4.497 1.00 0.00 H new ATOM 1480 N GLY A 100 2.349 4.788 -6.656 1.00 0.00 N ATOM 1481 CA GLY A 100 0.946 4.586 -6.344 1.00 0.00 C ATOM 1482 C GLY A 100 0.728 4.155 -4.907 1.00 0.00 C ATOM 1483 O GLY A 100 1.484 3.343 -4.374 1.00 0.00 O ATOM 0 H GLY A 100 2.838 3.957 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.399 5.510 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.533 3.831 -7.013 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.307 4.702 -4.278 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.621 4.370 -2.894 1.00 0.00 C ATOM 1489 C ILE A 101 -2.046 3.842 -2.765 1.00 0.00 C ATOM 1490 O ILE A 101 -2.874 4.036 -3.656 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.453 5.590 -1.970 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.924 6.225 -2.173 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.646 5.185 -0.516 1.00 0.00 C ATOM 1494 CD1 ILE A 101 2.069 5.338 -1.738 1.00 0.00 C ATOM 0 H ILE A 101 -0.942 5.377 -4.705 1.00 0.00 H new ATOM 0 HA ILE A 101 0.081 3.594 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.214 6.327 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.048 6.474 -3.227 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.969 7.161 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.524 6.059 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.647 4.774 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.094 4.432 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.014 5.853 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.969 5.109 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.050 4.412 -2.312 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.325 3.174 -1.651 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.651 2.618 -1.404 1.00 0.00 C ATOM 1508 C CYS A 102 -4.146 2.992 -0.011 1.00 0.00 C ATOM 1509 O CYS A 102 -3.624 2.510 0.994 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.625 1.097 -1.559 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.383 0.531 -3.259 1.00 0.00 S ATOM 0 H CYS A 102 -1.651 3.004 -0.905 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.338 3.039 -2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.827 0.693 -0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.562 0.688 -1.181 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.373 -0.769 -3.286 1.00 0.00 H new ATOM 1517 N SER A 103 -5.156 3.854 0.040 1.00 0.00 N ATOM 1518 CA SER A 103 -5.719 4.297 1.310 1.00 0.00 C ATOM 1519 C SER A 103 -5.931 3.116 2.252 1.00 0.00 C ATOM 1520 O SER A 103 -6.672 2.184 1.940 1.00 0.00 O ATOM 1521 CB SER A 103 -7.045 5.024 1.079 1.00 0.00 C ATOM 1522 OG SER A 103 -6.832 6.310 0.524 1.00 0.00 O ATOM 0 H SER A 103 -5.601 4.260 -0.783 1.00 0.00 H new ATOM 0 HA SER A 103 -5.011 4.985 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.674 4.436 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.582 5.116 2.023 1.00 0.00 H new ATOM 0 HG SER A 103 -7.695 6.753 0.384 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.275 3.162 3.407 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.404 2.091 4.378 1.00 0.00 C ATOM 1530 C GLY A 104 -5.844 2.592 5.739 1.00 0.00 C ATOM 1531 O GLY A 104 -6.525 3.610 5.859 1.00 0.00 O ATOM 0 H GLY A 104 -4.656 3.922 3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.125 1.359 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.448 1.576 4.475 1.00 0.00 H new