USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ -123:sc= 0.11 (180deg=0) USER MOD Set 1.2: A 103 CYS SG : rot -36:sc= -0.736 USER MOD Set 1.3: A 104 GLN : amide:sc= -0.0359 K(o=-0.66,f=-3.4!) USER MOD Set 2.1: A 87 THR OG1 : rot -152:sc= 0.882 USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= 1.02 F(o=0.59,f=1.9) USER MOD Set 3.1: A 58 THR OG1 : rot 150:sc= -0.516 USER MOD Set 3.2: A 60 GLN : amide:sc= -0.352 K(o=-0.87,f=-2.1) USER MOD Set 4.1: A 47 LYS NZ :NH3+ 177:sc= 0.412 (180deg=0.402) USER MOD Set 4.2: A 71 SER OG : rot 93:sc= -1.43 USER MOD Set 5.1: A 43 SER OG : rot 180:sc= 0.509 USER MOD Set 5.2: A 45 SER OG : rot -11:sc= 0.524 USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= 0.379 (180deg=-0.01) USER MOD Single : A 18 THR OG1 : rot -63:sc= 0.521 USER MOD Single : A 20 SER OG : rot 150:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= 0.352 (180deg=-0.315) USER MOD Single : A 27 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.75) USER MOD Single : A 32 MET CE :methyl -166:sc= -0.0238 (180deg=-0.498) USER MOD Single : A 33 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -70:sc= 0.622 USER MOD Single : A 46 ASN : amide:sc= 0.176 K(o=0.18,f=-7.7!) USER MOD Single : A 51 SER OG : rot -170:sc= 0 USER MOD Single : A 53 SER OG : rot -141:sc= 0.673 USER MOD Single : A 55 LYS NZ :NH3+ 175:sc= -5.02! (180deg=-5.03!) USER MOD Single : A 59 THR OG1 : rot -16:sc= 0.555 USER MOD Single : A 66 HIS : no HE2:sc=-0.00718 K(o=-0.0072,f=-1.5) USER MOD Single : A 67 TYR OH : rot 122:sc= 0.59 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.0481 X(o=0.048,f=-0.27) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.36) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 95 TYR OH : rot 130:sc= -0.38 USER MOD Single : A 96 SER OG : rot 63:sc= 1.26 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -101:sc= 0.85 (180deg=-0.98) USER MOD Single : A 105 LYS NZ :NH3+ 162:sc= -0.0139 (180deg=-0.14) USER MOD Single : A 107 THR OG1 : rot -130:sc= -0.0643 USER MOD Single : A 110 CYS SG : rot 52:sc= -6.02! USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -8.665 -1.089 -7.829 1.00 0.00 N ATOM 172 CA LYS A 13 -7.483 -1.922 -7.910 1.00 0.00 C ATOM 173 C LYS A 13 -6.195 -1.117 -7.968 1.00 0.00 C ATOM 174 O LYS A 13 -5.387 -1.261 -7.058 1.00 0.00 O ATOM 175 CB LYS A 13 -7.626 -3.005 -8.982 1.00 0.00 C ATOM 176 CG LYS A 13 -8.710 -4.024 -8.603 1.00 0.00 C ATOM 177 CD LYS A 13 -8.383 -4.742 -7.282 1.00 0.00 C ATOM 178 CE LYS A 13 -9.122 -6.057 -7.109 1.00 0.00 C ATOM 179 NZ LYS A 13 -10.550 -5.870 -6.885 1.00 0.00 N ATOM 0 HA LYS A 13 -7.397 -2.468 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.876 -2.544 -9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.673 -3.517 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.670 -3.516 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.812 -4.760 -9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.310 -4.928 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.629 -4.084 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.974 -6.672 -7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.694 -6.603 -6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.786 -6.137 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.798 -4.872 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.086 -6.467 -7.546 1.00 0.00 H new ATOM 193 N TRP A 14 -5.989 -0.280 -9.023 1.00 0.00 N ATOM 194 CA TRP A 14 -4.719 0.444 -9.014 1.00 0.00 C ATOM 195 C TRP A 14 -4.680 1.366 -7.802 1.00 0.00 C ATOM 196 O TRP A 14 -3.735 1.337 -7.030 1.00 0.00 O ATOM 197 CB TRP A 14 -4.280 1.116 -10.336 1.00 0.00 C ATOM 198 CG TRP A 14 -4.684 2.557 -10.638 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.442 2.965 -11.743 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.179 3.777 -10.032 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.404 4.317 -11.847 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.640 4.859 -10.821 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.396 4.040 -8.936 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.294 6.145 -10.490 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.063 5.350 -8.597 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.515 6.406 -9.372 1.00 0.00 C ATOM 0 H TRP A 14 -6.620 -0.109 -9.806 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.941 -0.314 -8.923 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.192 1.071 -10.375 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.654 0.498 -11.152 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.975 2.304 -12.410 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.870 4.859 -12.575 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.034 3.223 -8.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.632 6.964 -11.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.451 5.543 -7.728 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.263 7.423 -9.108 1.00 0.00 H new ATOM 217 N PHE A 15 -5.778 2.145 -7.656 1.00 0.00 N ATOM 218 CA PHE A 15 -5.838 3.057 -6.523 1.00 0.00 C ATOM 219 C PHE A 15 -6.625 2.430 -5.366 1.00 0.00 C ATOM 220 O PHE A 15 -7.846 2.478 -5.301 1.00 0.00 O ATOM 221 CB PHE A 15 -6.371 4.431 -6.946 1.00 0.00 C ATOM 222 CG PHE A 15 -6.025 5.500 -5.941 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.709 5.683 -5.509 1.00 0.00 C ATOM 224 CD2 PHE A 15 -7.024 6.321 -5.427 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.408 6.670 -4.580 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.721 7.310 -4.501 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.412 7.484 -4.076 1.00 0.00 C ATOM 0 H PHE A 15 -6.586 2.154 -8.279 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.827 3.229 -6.153 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.956 4.698 -7.918 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.453 4.380 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.923 5.054 -5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.045 6.188 -5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.389 6.804 -4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.504 7.944 -4.112 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.175 8.252 -3.354 1.00 0.00 H new ATOM 237 N PHE A 16 -5.810 1.837 -4.469 1.00 0.00 N ATOM 238 CA PHE A 16 -6.268 1.168 -3.257 1.00 0.00 C ATOM 239 C PHE A 16 -5.699 1.930 -2.052 1.00 0.00 C ATOM 240 O PHE A 16 -4.979 2.911 -2.176 1.00 0.00 O ATOM 241 CB PHE A 16 -5.814 -0.322 -3.284 1.00 0.00 C ATOM 242 CG PHE A 16 -6.942 -1.295 -3.545 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.032 -0.978 -4.354 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.901 -2.556 -2.953 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.068 -1.883 -4.545 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.932 -3.467 -3.145 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.018 -3.130 -3.940 1.00 0.00 C ATOM 0 H PHE A 16 -4.796 1.815 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.356 1.169 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.052 -0.447 -4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.347 -0.568 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.071 -0.014 -4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.057 -2.828 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.912 -1.616 -5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.888 -4.438 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.822 -3.836 -4.087 1.00 0.00 H new ATOM 257 N ARG A 17 -6.109 1.415 -0.880 1.00 0.00 N ATOM 258 CA ARG A 17 -5.681 1.945 0.410 1.00 0.00 C ATOM 259 C ARG A 17 -4.789 0.908 1.088 1.00 0.00 C ATOM 260 O ARG A 17 -4.400 -0.078 0.478 1.00 0.00 O ATOM 261 CB ARG A 17 -6.923 2.306 1.244 1.00 0.00 C ATOM 262 CG ARG A 17 -7.438 3.694 0.857 1.00 0.00 C ATOM 263 CD ARG A 17 -8.658 4.143 1.669 1.00 0.00 C ATOM 264 NE ARG A 17 -9.758 3.183 1.610 1.00 0.00 N ATOM 265 CZ ARG A 17 -10.560 3.017 0.536 1.00 0.00 C ATOM 266 NH1 ARG A 17 -10.359 3.688 -0.593 1.00 0.00 N ATOM 267 NH2 ARG A 17 -11.576 2.166 0.613 1.00 0.00 N ATOM 0 H ARG A 17 -6.745 0.621 -0.809 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.097 2.858 0.295 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.705 1.563 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.675 2.286 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.636 4.420 0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.696 3.695 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.364 4.289 2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.002 5.108 1.296 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.931 2.602 2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.584 4.347 -0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.980 3.544 -1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.743 1.648 1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.190 2.031 -0.190 1.00 0.00 H new ATOM 281 N THR A 18 -4.493 1.221 2.363 1.00 0.00 N ATOM 282 CA THR A 18 -3.665 0.456 3.280 1.00 0.00 C ATOM 283 C THR A 18 -4.307 -0.871 3.671 1.00 0.00 C ATOM 284 O THR A 18 -4.740 -1.103 4.794 1.00 0.00 O ATOM 285 CB THR A 18 -3.336 1.203 4.608 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.700 0.393 5.657 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.555 2.060 5.082 1.00 0.00 C ATOM 0 H THR A 18 -4.854 2.071 2.796 1.00 0.00 H new ATOM 0 HA THR A 18 -2.745 0.296 2.717 1.00 0.00 H new ATOM 0 HB THR A 18 -2.531 1.899 4.370 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.311 -0.321 5.935 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.301 2.572 6.010 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.801 2.797 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.414 1.410 5.249 1.00 0.00 H new ATOM 295 N ILE A 19 -4.313 -1.725 2.647 1.00 0.00 N ATOM 296 CA ILE A 19 -4.766 -3.094 2.781 1.00 0.00 C ATOM 297 C ILE A 19 -3.513 -3.786 3.307 1.00 0.00 C ATOM 298 O ILE A 19 -2.426 -3.227 3.190 1.00 0.00 O ATOM 299 CB ILE A 19 -5.177 -3.608 1.394 1.00 0.00 C ATOM 300 CG1 ILE A 19 -6.147 -4.784 1.448 1.00 0.00 C ATOM 301 CG2 ILE A 19 -4.009 -3.887 0.450 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.493 -5.315 0.045 1.00 0.00 C ATOM 0 H ILE A 19 -4.003 -1.480 1.707 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.629 -3.250 3.429 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.716 -2.767 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.710 -5.587 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.062 -4.476 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.391 -4.246 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.441 -2.970 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.360 -4.645 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.186 -6.152 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.956 -4.521 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.582 -5.649 -0.452 1.00 0.00 H new ATOM 314 N SER A 20 -3.656 -4.986 3.892 1.00 0.00 N ATOM 315 CA SER A 20 -2.394 -5.567 4.367 1.00 0.00 C ATOM 316 C SER A 20 -1.508 -5.885 3.155 1.00 0.00 C ATOM 317 O SER A 20 -1.973 -6.070 2.038 1.00 0.00 O ATOM 318 CB SER A 20 -2.557 -6.884 5.180 1.00 0.00 C ATOM 319 OG SER A 20 -1.364 -7.714 5.515 1.00 0.00 O ATOM 0 H SER A 20 -4.515 -5.517 4.036 1.00 0.00 H new ATOM 0 HA SER A 20 -1.957 -4.824 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.044 -6.625 6.120 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.248 -7.521 4.628 1.00 0.00 H new ATOM 0 HG SER A 20 -1.519 -8.183 6.362 1.00 0.00 H new ATOM 325 N ARG A 21 -0.203 -5.923 3.458 1.00 0.00 N ATOM 326 CA ARG A 21 0.796 -6.235 2.446 1.00 0.00 C ATOM 327 C ARG A 21 0.423 -7.551 1.730 1.00 0.00 C ATOM 328 O ARG A 21 0.375 -7.607 0.514 1.00 0.00 O ATOM 329 CB ARG A 21 2.194 -6.254 3.088 1.00 0.00 C ATOM 330 CG ARG A 21 3.308 -5.851 2.112 1.00 0.00 C ATOM 331 CD ARG A 21 4.639 -5.607 2.834 1.00 0.00 C ATOM 332 NE ARG A 21 5.614 -5.013 1.922 1.00 0.00 N ATOM 333 CZ ARG A 21 6.800 -4.521 2.345 1.00 0.00 C ATOM 334 NH1 ARG A 21 7.151 -4.589 3.624 1.00 0.00 N ATOM 335 NH2 ARG A 21 7.630 -3.961 1.478 1.00 0.00 N ATOM 0 H ARG A 21 0.175 -5.743 4.388 1.00 0.00 H new ATOM 0 HA ARG A 21 0.819 -5.463 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.205 -5.577 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.398 -7.254 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.438 -6.635 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.014 -4.948 1.578 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.481 -4.947 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.025 -6.548 3.226 1.00 0.00 H new ATOM 0 HE ARG A 21 5.391 -4.968 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.522 -5.017 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.049 -4.213 3.927 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.374 -3.901 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.525 -3.589 1.796 1.00 0.00 H new ATOM 349 N LYS A 22 0.088 -8.583 2.540 1.00 0.00 N ATOM 350 CA LYS A 22 -0.283 -9.839 1.898 1.00 0.00 C ATOM 351 C LYS A 22 -1.632 -9.823 1.183 1.00 0.00 C ATOM 352 O LYS A 22 -1.927 -10.713 0.396 1.00 0.00 O ATOM 353 CB LYS A 22 -0.268 -11.041 2.841 1.00 0.00 C ATOM 354 CG LYS A 22 -1.220 -11.107 4.041 1.00 0.00 C ATOM 355 CD LYS A 22 -2.571 -10.430 3.984 1.00 0.00 C ATOM 356 CE LYS A 22 -3.287 -10.567 5.335 1.00 0.00 C ATOM 357 NZ LYS A 22 -4.646 -10.042 5.364 1.00 0.00 N ATOM 0 H LYS A 22 0.069 -8.569 3.560 1.00 0.00 H new ATOM 0 HA LYS A 22 0.503 -9.947 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.455 -11.927 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.746 -11.130 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.397 -12.161 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.688 -10.693 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.448 -9.376 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.177 -10.876 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.314 -11.621 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.698 -10.054 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.153 -10.435 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.616 -9.005 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.141 -10.310 4.489 1.00 0.00 H new ATOM 371 N ASP A 23 -2.431 -8.786 1.491 1.00 0.00 N ATOM 372 CA ASP A 23 -3.767 -8.752 0.933 1.00 0.00 C ATOM 373 C ASP A 23 -3.749 -8.295 -0.527 1.00 0.00 C ATOM 374 O ASP A 23 -4.385 -8.843 -1.410 1.00 0.00 O ATOM 375 CB ASP A 23 -4.711 -7.792 1.686 1.00 0.00 C ATOM 376 CG ASP A 23 -5.416 -8.413 2.899 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.787 -9.585 2.839 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.608 -7.708 3.888 1.00 0.00 O ATOM 0 H ASP A 23 -2.180 -8.003 2.094 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.134 -9.774 1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.138 -6.926 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.467 -7.426 0.991 1.00 0.00 H new ATOM 383 N ALA A 24 -2.989 -7.220 -0.697 1.00 0.00 N ATOM 384 CA ALA A 24 -2.820 -6.615 -2.011 1.00 0.00 C ATOM 385 C ALA A 24 -2.142 -7.597 -2.981 1.00 0.00 C ATOM 386 O ALA A 24 -2.385 -7.630 -4.181 1.00 0.00 O ATOM 387 CB ALA A 24 -1.960 -5.375 -1.796 1.00 0.00 C ATOM 0 H ALA A 24 -2.483 -6.752 0.055 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.780 -6.355 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.797 -4.875 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.467 -4.695 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.000 -5.667 -1.371 1.00 0.00 H new ATOM 393 N GLU A 25 -1.307 -8.422 -2.336 1.00 0.00 N ATOM 394 CA GLU A 25 -0.521 -9.428 -2.993 1.00 0.00 C ATOM 395 C GLU A 25 -1.427 -10.607 -3.379 1.00 0.00 C ATOM 396 O GLU A 25 -1.213 -11.245 -4.400 1.00 0.00 O ATOM 397 CB GLU A 25 0.557 -9.881 -1.983 1.00 0.00 C ATOM 398 CG GLU A 25 1.837 -9.023 -1.785 1.00 0.00 C ATOM 399 CD GLU A 25 1.772 -7.476 -1.821 1.00 0.00 C ATOM 400 OE1 GLU A 25 0.863 -6.917 -2.411 1.00 0.00 O ATOM 401 OE2 GLU A 25 2.649 -6.836 -1.239 1.00 0.00 O ATOM 0 H GLU A 25 -1.169 -8.394 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.056 -9.047 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.073 -9.973 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.878 -10.881 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.263 -9.303 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.550 -9.331 -2.550 1.00 0.00 H new ATOM 408 N ARG A 26 -2.464 -10.836 -2.532 1.00 0.00 N ATOM 409 CA ARG A 26 -3.385 -11.951 -2.745 1.00 0.00 C ATOM 410 C ARG A 26 -4.175 -11.771 -4.051 1.00 0.00 C ATOM 411 O ARG A 26 -4.498 -12.724 -4.748 1.00 0.00 O ATOM 412 CB ARG A 26 -4.353 -12.111 -1.537 1.00 0.00 C ATOM 413 CG ARG A 26 -5.707 -11.356 -1.564 1.00 0.00 C ATOM 414 CD ARG A 26 -6.252 -10.911 -0.196 1.00 0.00 C ATOM 415 NE ARG A 26 -7.702 -10.752 -0.250 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.289 -9.598 -0.632 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.555 -8.561 -1.012 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.611 -9.498 -0.636 1.00 0.00 N ATOM 0 H ARG A 26 -2.670 -10.266 -1.712 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.792 -12.862 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.569 -13.173 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.818 -11.798 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.597 -10.474 -2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.450 -11.997 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.989 -11.647 0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.788 -9.970 0.098 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.293 -11.541 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.537 -8.631 -1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.008 -7.693 -1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.183 -10.293 -0.351 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.056 -8.627 -0.924 1.00 0.00 H new ATOM 432 N GLN A 27 -4.439 -10.474 -4.328 1.00 0.00 N ATOM 433 CA GLN A 27 -5.229 -10.117 -5.511 1.00 0.00 C ATOM 434 C GLN A 27 -4.432 -10.161 -6.829 1.00 0.00 C ATOM 435 O GLN A 27 -5.005 -10.362 -7.893 1.00 0.00 O ATOM 436 CB GLN A 27 -5.940 -8.767 -5.300 1.00 0.00 C ATOM 437 CG GLN A 27 -6.730 -8.744 -3.977 1.00 0.00 C ATOM 438 CD GLN A 27 -8.041 -7.943 -4.033 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.147 -6.832 -3.527 1.00 0.00 O ATOM 440 NE2 GLN A 27 -9.038 -8.603 -4.643 1.00 0.00 N ATOM 0 H GLN A 27 -4.125 -9.685 -3.764 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.989 -10.890 -5.624 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.204 -7.963 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.617 -8.578 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.957 -9.770 -3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.095 -8.324 -3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.870 -9.527 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.964 -8.180 -4.709 1.00 0.00 H new ATOM 449 N LEU A 28 -3.098 -9.981 -6.708 1.00 0.00 N ATOM 450 CA LEU A 28 -2.247 -10.010 -7.897 1.00 0.00 C ATOM 451 C LEU A 28 -1.852 -11.451 -8.250 1.00 0.00 C ATOM 452 O LEU A 28 -1.903 -11.848 -9.406 1.00 0.00 O ATOM 453 CB LEU A 28 -1.051 -9.076 -7.682 1.00 0.00 C ATOM 454 CG LEU A 28 -1.532 -7.641 -7.518 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.388 -6.793 -6.981 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.040 -7.136 -8.871 1.00 0.00 C ATOM 0 H LEU A 28 -2.609 -9.820 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.793 -9.639 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.493 -9.384 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.369 -9.145 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.354 -7.579 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.724 -5.763 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.066 -7.185 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.447 -6.823 -7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.388 -6.108 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.231 -7.174 -9.601 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.863 -7.766 -9.209 1.00 0.00 H new ATOM 468 N LEU A 29 -1.499 -12.209 -7.184 1.00 0.00 N ATOM 469 CA LEU A 29 -1.088 -13.608 -7.286 1.00 0.00 C ATOM 470 C LEU A 29 -2.204 -14.498 -7.884 1.00 0.00 C ATOM 471 O LEU A 29 -1.957 -15.648 -8.225 1.00 0.00 O ATOM 472 CB LEU A 29 -0.681 -14.129 -5.895 1.00 0.00 C ATOM 473 CG LEU A 29 0.635 -13.535 -5.347 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.636 -13.596 -3.815 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.860 -14.308 -5.875 1.00 0.00 C ATOM 0 H LEU A 29 -1.495 -11.853 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.236 -13.659 -7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.484 -13.911 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.583 -15.214 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 29 0.699 -12.500 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.567 -13.176 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.206 -13.023 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.548 -14.633 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.771 -13.866 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.794 -15.351 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.882 -14.255 -6.963 1.00 0.00 H new ATOM 487 N ALA A 30 -3.429 -13.935 -7.989 1.00 0.00 N ATOM 488 CA ALA A 30 -4.533 -14.684 -8.574 1.00 0.00 C ATOM 489 C ALA A 30 -4.265 -14.911 -10.084 1.00 0.00 C ATOM 490 O ALA A 30 -3.757 -14.030 -10.771 1.00 0.00 O ATOM 491 CB ALA A 30 -5.833 -13.885 -8.411 1.00 0.00 C ATOM 0 H ALA A 30 -3.662 -12.991 -7.682 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.624 -15.646 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.661 -14.444 -8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.027 -13.718 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.736 -12.925 -8.918 1.00 0.00 H new ATOM 497 N PRO A 31 -4.651 -16.124 -10.581 1.00 0.00 N ATOM 498 CA PRO A 31 -4.476 -16.497 -11.989 1.00 0.00 C ATOM 499 C PRO A 31 -5.399 -15.737 -12.970 1.00 0.00 C ATOM 500 O PRO A 31 -5.368 -15.942 -14.177 1.00 0.00 O ATOM 501 CB PRO A 31 -4.789 -17.999 -12.016 1.00 0.00 C ATOM 502 CG PRO A 31 -5.702 -18.215 -10.813 1.00 0.00 C ATOM 503 CD PRO A 31 -5.243 -17.193 -9.786 1.00 0.00 C ATOM 0 HA PRO A 31 -3.471 -16.242 -12.325 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.281 -18.286 -12.945 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.880 -18.596 -11.938 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.748 -18.065 -11.079 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.613 -19.230 -10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.078 -16.828 -9.188 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.518 -17.622 -9.094 1.00 0.00 H new ATOM 511 N MET A 32 -6.218 -14.853 -12.363 1.00 0.00 N ATOM 512 CA MET A 32 -7.164 -14.014 -13.054 1.00 0.00 C ATOM 513 C MET A 32 -6.478 -12.829 -13.768 1.00 0.00 C ATOM 514 O MET A 32 -7.021 -12.266 -14.712 1.00 0.00 O ATOM 515 CB MET A 32 -8.120 -13.528 -11.964 1.00 0.00 C ATOM 516 CG MET A 32 -9.022 -14.643 -11.421 1.00 0.00 C ATOM 517 SD MET A 32 -10.320 -13.998 -10.346 1.00 0.00 S ATOM 518 CE MET A 32 -9.521 -14.214 -8.747 1.00 0.00 C ATOM 0 H MET A 32 -6.224 -14.715 -11.352 1.00 0.00 H new ATOM 0 HA MET A 32 -7.679 -14.559 -13.845 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.542 -13.103 -11.143 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.742 -12.727 -12.364 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.475 -15.181 -12.254 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.417 -15.362 -10.868 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.260 -14.104 -7.953 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.077 -15.208 -8.694 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.742 -13.461 -8.625 1.00 0.00 H new ATOM 528 N ASN A 33 -5.262 -12.495 -13.262 1.00 0.00 N ATOM 529 CA ASN A 33 -4.464 -11.386 -13.799 1.00 0.00 C ATOM 530 C ASN A 33 -3.038 -11.846 -14.163 1.00 0.00 C ATOM 531 O ASN A 33 -2.753 -13.032 -14.265 1.00 0.00 O ATOM 532 CB ASN A 33 -4.440 -10.226 -12.786 1.00 0.00 C ATOM 533 CG ASN A 33 -5.831 -9.932 -12.224 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.072 -9.976 -11.027 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.725 -9.626 -13.172 1.00 0.00 N ATOM 0 H ASN A 33 -4.822 -12.984 -12.483 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.928 -11.034 -14.720 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.762 -10.472 -11.968 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.046 -9.331 -13.268 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.687 -9.408 -12.914 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.444 -9.611 -14.152 1.00 0.00 H new ATOM 542 N LYS A 34 -2.173 -10.826 -14.362 1.00 0.00 N ATOM 543 CA LYS A 34 -0.778 -11.050 -14.733 1.00 0.00 C ATOM 544 C LYS A 34 -0.008 -9.728 -14.704 1.00 0.00 C ATOM 545 O LYS A 34 -0.585 -8.654 -14.809 1.00 0.00 O ATOM 546 CB LYS A 34 -0.659 -11.728 -16.113 1.00 0.00 C ATOM 547 CG LYS A 34 -1.477 -11.058 -17.229 1.00 0.00 C ATOM 548 CD LYS A 34 -0.783 -9.852 -17.868 1.00 0.00 C ATOM 549 CE LYS A 34 -1.692 -9.089 -18.838 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.042 -9.860 -20.028 1.00 0.00 N ATOM 0 H LYS A 34 -2.427 -9.843 -14.269 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.338 -11.729 -14.002 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.390 -11.741 -16.408 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.977 -12.767 -16.021 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.689 -11.795 -18.003 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.436 -10.739 -16.821 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.446 -9.174 -17.083 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.106 -10.190 -18.400 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.606 -8.801 -18.318 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.195 -8.168 -19.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.657 -9.290 -20.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.176 -10.114 -20.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.543 -10.727 -19.745 1.00 0.00 H new ATOM 564 N ALA A 35 1.325 -9.901 -14.564 1.00 0.00 N ATOM 565 CA ALA A 35 2.353 -8.860 -14.522 1.00 0.00 C ATOM 566 C ALA A 35 1.896 -7.578 -15.235 1.00 0.00 C ATOM 567 O ALA A 35 1.745 -7.534 -16.450 1.00 0.00 O ATOM 568 CB ALA A 35 3.615 -9.425 -15.185 1.00 0.00 C ATOM 0 H ALA A 35 1.728 -10.834 -14.472 1.00 0.00 H new ATOM 0 HA ALA A 35 2.551 -8.585 -13.486 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.402 -8.671 -15.170 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.948 -10.309 -14.640 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.393 -9.697 -16.217 1.00 0.00 H new ATOM 574 N GLY A 36 1.661 -6.564 -14.376 1.00 0.00 N ATOM 575 CA GLY A 36 1.181 -5.272 -14.826 1.00 0.00 C ATOM 576 C GLY A 36 -0.068 -4.856 -14.039 1.00 0.00 C ATOM 577 O GLY A 36 -0.343 -3.682 -13.830 1.00 0.00 O ATOM 0 H GLY A 36 1.801 -6.631 -13.368 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.963 -4.523 -14.700 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.949 -5.315 -15.890 1.00 0.00 H new ATOM 581 N SER A 37 -0.810 -5.890 -13.601 1.00 0.00 N ATOM 582 CA SER A 37 -1.944 -5.686 -12.706 1.00 0.00 C ATOM 583 C SER A 37 -1.266 -5.250 -11.392 1.00 0.00 C ATOM 584 O SER A 37 -0.332 -5.910 -10.942 1.00 0.00 O ATOM 585 CB SER A 37 -2.663 -7.057 -12.500 1.00 0.00 C ATOM 586 OG SER A 37 -1.831 -8.284 -12.513 1.00 0.00 O ATOM 0 H SER A 37 -0.640 -6.863 -13.854 1.00 0.00 H new ATOM 0 HA SER A 37 -2.682 -4.970 -13.068 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.189 -7.019 -11.546 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.420 -7.158 -13.277 1.00 0.00 H new ATOM 0 HG SER A 37 -1.510 -8.452 -13.423 1.00 0.00 H new ATOM 592 N PHE A 38 -1.720 -4.101 -10.839 1.00 0.00 N ATOM 593 CA PHE A 38 -1.095 -3.570 -9.621 1.00 0.00 C ATOM 594 C PHE A 38 -2.196 -3.151 -8.590 1.00 0.00 C ATOM 595 O PHE A 38 -3.391 -3.113 -8.860 1.00 0.00 O ATOM 596 CB PHE A 38 -0.367 -2.228 -9.977 1.00 0.00 C ATOM 597 CG PHE A 38 0.974 -2.202 -10.685 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.440 -3.170 -11.563 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.807 -1.110 -10.450 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.682 -3.033 -12.181 1.00 0.00 C ATOM 601 CE2 PHE A 38 3.070 -0.996 -11.007 1.00 0.00 C ATOM 602 CZ PHE A 38 3.515 -1.968 -11.883 1.00 0.00 C ATOM 0 H PHE A 38 -2.492 -3.545 -11.207 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.428 -4.334 -9.222 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.057 -1.650 -10.591 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.239 -1.683 -9.042 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.834 -4.039 -11.770 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.453 -0.319 -9.806 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.000 -3.770 -12.904 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.701 -0.155 -10.759 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.497 -1.898 -12.328 1.00 0.00 H new ATOM 612 N LEU A 39 -1.623 -2.806 -7.409 1.00 0.00 N ATOM 613 CA LEU A 39 -2.191 -2.313 -6.147 1.00 0.00 C ATOM 614 C LEU A 39 -1.347 -1.153 -5.640 1.00 0.00 C ATOM 615 O LEU A 39 -0.158 -1.367 -5.480 1.00 0.00 O ATOM 616 CB LEU A 39 -1.972 -3.346 -5.027 1.00 0.00 C ATOM 617 CG LEU A 39 -3.043 -4.381 -4.797 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.968 -3.753 -3.768 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.813 -4.849 -5.999 1.00 0.00 C ATOM 0 H LEU A 39 -0.610 -2.882 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.237 -2.077 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.040 -3.871 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.829 -2.801 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.562 -5.304 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.781 -4.442 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.408 -3.540 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.379 -2.826 -4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.550 -5.591 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.321 -4.001 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.127 -5.295 -6.720 1.00 0.00 H new ATOM 631 N ILE A 40 -1.959 0.022 -5.317 1.00 0.00 N ATOM 632 CA ILE A 40 -1.081 1.084 -4.806 1.00 0.00 C ATOM 633 C ILE A 40 -1.693 1.361 -3.387 1.00 0.00 C ATOM 634 O ILE A 40 -2.574 2.186 -3.202 1.00 0.00 O ATOM 635 CB ILE A 40 -1.053 2.251 -5.852 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.279 3.014 -5.925 1.00 0.00 C ATOM 637 CG2 ILE A 40 -2.038 3.352 -5.505 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.570 3.447 -7.380 1.00 0.00 C ATOM 0 H ILE A 40 -2.953 0.236 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.020 0.867 -4.684 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.272 1.727 -6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.240 3.891 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.088 2.383 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.984 4.139 -6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.048 2.942 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.791 3.766 -4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.516 3.986 -7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.630 2.565 -8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.231 4.096 -7.734 1.00 0.00 H new ATOM 650 N ARG A 41 -1.229 0.563 -2.398 1.00 0.00 N ATOM 651 CA ARG A 41 -1.744 0.675 -1.033 1.00 0.00 C ATOM 652 C ARG A 41 -1.082 1.878 -0.325 1.00 0.00 C ATOM 653 O ARG A 41 0.030 2.245 -0.666 1.00 0.00 O ATOM 654 CB ARG A 41 -1.547 -0.690 -0.345 1.00 0.00 C ATOM 655 CG ARG A 41 -0.101 -1.085 -0.024 1.00 0.00 C ATOM 656 CD ARG A 41 0.366 -0.578 1.343 1.00 0.00 C ATOM 657 NE ARG A 41 -0.227 -1.361 2.422 1.00 0.00 N ATOM 658 CZ ARG A 41 0.092 -1.139 3.715 1.00 0.00 C ATOM 659 NH1 ARG A 41 0.967 -0.199 4.055 1.00 0.00 N ATOM 660 NH2 ARG A 41 -0.478 -1.877 4.656 1.00 0.00 N ATOM 0 H ARG A 41 -0.511 -0.151 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.812 0.891 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.116 -0.690 0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.979 -1.461 -0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.011 -2.171 -0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.558 -0.690 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.453 -0.634 1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.094 0.471 1.458 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.899 -2.094 2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.411 0.370 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.195 -0.046 5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.148 -2.602 4.400 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.247 -1.720 5.637 1.00 0.00 H new ATOM 674 N GLU A 42 -1.796 2.482 0.659 1.00 0.00 N ATOM 675 CA GLU A 42 -1.225 3.650 1.352 1.00 0.00 C ATOM 676 C GLU A 42 -0.331 3.255 2.537 1.00 0.00 C ATOM 677 O GLU A 42 -0.455 2.159 3.072 1.00 0.00 O ATOM 678 CB GLU A 42 -2.332 4.609 1.849 1.00 0.00 C ATOM 679 CG GLU A 42 -2.918 4.285 3.227 1.00 0.00 C ATOM 680 CD GLU A 42 -3.946 5.329 3.684 1.00 0.00 C ATOM 681 OE1 GLU A 42 -5.087 5.274 3.227 1.00 0.00 O ATOM 682 OE2 GLU A 42 -3.592 6.176 4.502 1.00 0.00 O ATOM 0 H GLU A 42 -2.722 2.193 0.974 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.606 4.160 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.927 5.621 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.142 4.609 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.390 3.303 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.111 4.229 3.958 1.00 0.00 H new ATOM 689 N SER A 43 0.583 4.193 2.926 1.00 0.00 N ATOM 690 CA SER A 43 1.360 3.893 4.135 1.00 0.00 C ATOM 691 C SER A 43 0.401 4.311 5.288 1.00 0.00 C ATOM 692 O SER A 43 -0.079 5.430 5.301 1.00 0.00 O ATOM 693 CB SER A 43 2.702 4.709 4.173 1.00 0.00 C ATOM 694 OG SER A 43 3.287 5.094 5.479 1.00 0.00 O ATOM 0 H SER A 43 0.779 5.079 2.461 1.00 0.00 H new ATOM 0 HA SER A 43 1.666 2.849 4.197 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.453 4.127 3.638 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.543 5.625 3.604 1.00 0.00 H new ATOM 0 HG SER A 43 4.117 5.593 5.331 1.00 0.00 H new ATOM 700 N GLU A 44 0.081 3.424 6.245 1.00 0.00 N ATOM 701 CA GLU A 44 -0.890 3.880 7.262 1.00 0.00 C ATOM 702 C GLU A 44 -0.348 4.937 8.259 1.00 0.00 C ATOM 703 O GLU A 44 -1.074 5.427 9.113 1.00 0.00 O ATOM 704 CB GLU A 44 -1.605 2.696 7.917 1.00 0.00 C ATOM 705 CG GLU A 44 -0.716 1.494 8.279 1.00 0.00 C ATOM 706 CD GLU A 44 0.373 1.873 9.296 1.00 0.00 C ATOM 707 OE1 GLU A 44 0.113 1.795 10.498 1.00 0.00 O ATOM 708 OE2 GLU A 44 1.468 2.237 8.869 1.00 0.00 O ATOM 0 H GLU A 44 0.438 2.473 6.340 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.650 4.445 6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.094 3.048 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.391 2.353 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.334 0.696 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.249 1.103 7.375 1.00 0.00 H new ATOM 715 N SER A 45 0.942 5.269 8.082 1.00 0.00 N ATOM 716 CA SER A 45 1.668 6.265 8.861 1.00 0.00 C ATOM 717 C SER A 45 2.205 7.347 7.903 1.00 0.00 C ATOM 718 O SER A 45 3.156 8.059 8.202 1.00 0.00 O ATOM 719 CB SER A 45 2.932 5.530 9.375 1.00 0.00 C ATOM 720 OG SER A 45 3.895 5.041 8.347 1.00 0.00 O ATOM 0 H SER A 45 1.521 4.831 7.365 1.00 0.00 H new ATOM 0 HA SER A 45 1.039 6.696 9.640 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.466 6.203 10.046 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.609 4.676 9.970 1.00 0.00 H new ATOM 0 HG SER A 45 3.489 5.114 7.458 1.00 0.00 H new ATOM 726 N ASN A 46 1.546 7.397 6.728 1.00 0.00 N ATOM 727 CA ASN A 46 1.961 8.257 5.642 1.00 0.00 C ATOM 728 C ASN A 46 1.761 9.759 5.811 1.00 0.00 C ATOM 729 O ASN A 46 0.816 10.267 6.401 1.00 0.00 O ATOM 730 CB ASN A 46 1.272 7.819 4.333 1.00 0.00 C ATOM 731 CG ASN A 46 -0.168 8.315 4.033 1.00 0.00 C ATOM 732 OD1 ASN A 46 -0.473 9.497 4.075 1.00 0.00 O ATOM 733 ND2 ASN A 46 -1.025 7.347 3.683 1.00 0.00 N ATOM 0 H ASN A 46 0.717 6.839 6.522 1.00 0.00 H new ATOM 0 HA ASN A 46 3.043 8.124 5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.907 8.136 3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.253 6.729 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.986 7.582 3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.717 6.375 3.665 1.00 0.00 H new ATOM 740 N LYS A 47 2.780 10.397 5.200 1.00 0.00 N ATOM 741 CA LYS A 47 2.890 11.826 4.992 1.00 0.00 C ATOM 742 C LYS A 47 2.491 12.134 3.521 1.00 0.00 C ATOM 743 O LYS A 47 3.156 12.851 2.780 1.00 0.00 O ATOM 744 CB LYS A 47 4.205 12.393 5.527 1.00 0.00 C ATOM 745 CG LYS A 47 5.396 11.444 5.433 1.00 0.00 C ATOM 746 CD LYS A 47 5.731 11.082 3.992 1.00 0.00 C ATOM 747 CE LYS A 47 6.338 12.254 3.201 1.00 0.00 C ATOM 748 NZ LYS A 47 5.865 12.354 1.828 1.00 0.00 N ATOM 0 H LYS A 47 3.581 9.889 4.825 1.00 0.00 H new ATOM 0 HA LYS A 47 2.181 12.387 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.441 13.305 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.065 12.675 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.265 11.907 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.179 10.535 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.431 10.247 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.826 10.742 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.111 13.185 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.423 12.150 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.280 13.195 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.149 11.504 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.828 12.434 1.823 1.00 0.00 H new ATOM 762 N GLY A 48 1.360 11.456 3.189 1.00 0.00 N ATOM 763 CA GLY A 48 0.670 11.426 1.900 1.00 0.00 C ATOM 764 C GLY A 48 1.216 10.329 0.953 1.00 0.00 C ATOM 765 O GLY A 48 0.894 10.294 -0.229 1.00 0.00 O ATOM 0 H GLY A 48 0.882 10.876 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.394 11.259 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.769 12.398 1.417 1.00 0.00 H new ATOM 769 N ALA A 49 2.053 9.446 1.554 1.00 0.00 N ATOM 770 CA ALA A 49 2.758 8.365 0.865 1.00 0.00 C ATOM 771 C ALA A 49 1.880 7.138 0.610 1.00 0.00 C ATOM 772 O ALA A 49 0.896 6.879 1.290 1.00 0.00 O ATOM 773 CB ALA A 49 3.970 7.917 1.713 1.00 0.00 C ATOM 0 H ALA A 49 2.253 9.477 2.554 1.00 0.00 H new ATOM 0 HA ALA A 49 3.066 8.765 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.495 7.112 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.647 8.760 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.624 7.563 2.684 1.00 0.00 H new ATOM 779 N PHE A 50 2.360 6.400 -0.413 1.00 0.00 N ATOM 780 CA PHE A 50 1.741 5.165 -0.870 1.00 0.00 C ATOM 781 C PHE A 50 2.839 4.060 -0.925 1.00 0.00 C ATOM 782 O PHE A 50 3.957 4.235 -0.458 1.00 0.00 O ATOM 783 CB PHE A 50 0.955 5.427 -2.184 1.00 0.00 C ATOM 784 CG PHE A 50 -0.423 5.976 -1.894 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.627 7.331 -1.643 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.522 5.123 -1.855 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.894 7.819 -1.352 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.792 5.606 -1.562 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.979 6.957 -1.308 1.00 0.00 C ATOM 0 H PHE A 50 3.194 6.657 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 50 0.984 4.790 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.507 6.131 -2.807 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.869 4.500 -2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.211 8.011 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.386 4.070 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.035 8.872 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.633 4.929 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.964 7.335 -1.077 1.00 0.00 H new ATOM 799 N SER A 51 2.445 2.922 -1.525 1.00 0.00 N ATOM 800 CA SER A 51 3.270 1.729 -1.728 1.00 0.00 C ATOM 801 C SER A 51 2.724 1.029 -2.975 1.00 0.00 C ATOM 802 O SER A 51 1.682 1.442 -3.460 1.00 0.00 O ATOM 803 CB SER A 51 3.216 0.823 -0.463 1.00 0.00 C ATOM 804 OG SER A 51 3.007 1.456 0.864 1.00 0.00 O ATOM 0 H SER A 51 1.501 2.809 -1.896 1.00 0.00 H new ATOM 0 HA SER A 51 4.321 1.976 -1.878 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.417 0.097 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.150 0.264 -0.418 1.00 0.00 H new ATOM 0 HG SER A 51 3.153 0.792 1.570 1.00 0.00 H new ATOM 810 N LEU A 52 3.411 -0.024 -3.478 1.00 0.00 N ATOM 811 CA LEU A 52 2.890 -0.633 -4.712 1.00 0.00 C ATOM 812 C LEU A 52 3.370 -2.090 -4.872 1.00 0.00 C ATOM 813 O LEU A 52 4.535 -2.422 -4.700 1.00 0.00 O ATOM 814 CB LEU A 52 3.436 0.270 -5.847 1.00 0.00 C ATOM 815 CG LEU A 52 2.938 0.072 -7.288 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.415 -0.015 -7.349 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.451 1.231 -8.167 1.00 0.00 C ATOM 0 H LEU A 52 4.256 -0.438 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 52 1.801 -0.689 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.226 1.303 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.520 0.157 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 52 3.330 -0.873 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.100 -0.155 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.074 -0.859 -6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.982 0.906 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.100 1.095 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.075 2.177 -7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.541 1.241 -8.156 1.00 0.00 H new ATOM 829 N SER A 53 2.366 -2.915 -5.220 1.00 0.00 N ATOM 830 CA SER A 53 2.488 -4.351 -5.423 1.00 0.00 C ATOM 831 C SER A 53 2.291 -4.641 -6.925 1.00 0.00 C ATOM 832 O SER A 53 1.418 -4.057 -7.555 1.00 0.00 O ATOM 833 CB SER A 53 1.375 -4.981 -4.549 1.00 0.00 C ATOM 834 OG SER A 53 0.931 -4.307 -3.300 1.00 0.00 O ATOM 0 H SER A 53 1.416 -2.577 -5.371 1.00 0.00 H new ATOM 0 HA SER A 53 3.458 -4.760 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.496 -5.099 -5.182 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.708 -5.982 -4.275 1.00 0.00 H new ATOM 0 HG SER A 53 0.767 -4.979 -2.606 1.00 0.00 H new ATOM 840 N VAL A 54 3.136 -5.555 -7.464 1.00 0.00 N ATOM 841 CA VAL A 54 3.045 -5.901 -8.898 1.00 0.00 C ATOM 842 C VAL A 54 3.271 -7.392 -9.038 1.00 0.00 C ATOM 843 O VAL A 54 4.086 -7.947 -8.323 1.00 0.00 O ATOM 844 CB VAL A 54 4.066 -5.147 -9.759 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.911 -5.495 -11.246 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.989 -3.665 -9.428 1.00 0.00 C ATOM 0 H VAL A 54 3.863 -6.049 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 54 2.057 -5.609 -9.255 1.00 0.00 H new ATOM 0 HB VAL A 54 5.081 -5.466 -9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.650 -4.944 -11.828 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.063 -6.565 -11.387 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.910 -5.224 -11.581 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.711 -3.119 -10.035 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.985 -3.297 -9.639 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.215 -3.516 -8.372 1.00 0.00 H new ATOM 856 N LYS A 55 2.560 -8.021 -9.996 1.00 0.00 N ATOM 857 CA LYS A 55 2.709 -9.468 -10.089 1.00 0.00 C ATOM 858 C LYS A 55 3.986 -9.858 -10.881 1.00 0.00 C ATOM 859 O LYS A 55 3.955 -9.944 -12.102 1.00 0.00 O ATOM 860 CB LYS A 55 1.426 -9.916 -10.792 1.00 0.00 C ATOM 861 CG LYS A 55 0.833 -11.290 -10.494 1.00 0.00 C ATOM 862 CD LYS A 55 1.760 -12.499 -10.414 1.00 0.00 C ATOM 863 CE LYS A 55 2.623 -12.534 -9.150 1.00 0.00 C ATOM 864 NZ LYS A 55 1.966 -12.063 -7.936 1.00 0.00 N ATOM 0 H LYS A 55 1.926 -7.583 -10.664 1.00 0.00 H new ATOM 0 HA LYS A 55 2.836 -9.949 -9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.658 -9.176 -10.568 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.611 -9.868 -11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.303 -11.220 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.087 -11.499 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.160 -13.408 -10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.412 -12.504 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.960 -13.558 -8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.513 -11.929 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.598 -12.203 -7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.744 -11.051 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.087 -12.598 -7.787 1.00 0.00 H new ATOM 878 N ASP A 56 5.099 -10.105 -10.147 1.00 0.00 N ATOM 879 CA ASP A 56 6.322 -10.507 -10.837 1.00 0.00 C ATOM 880 C ASP A 56 6.265 -12.003 -11.200 1.00 0.00 C ATOM 881 O ASP A 56 6.237 -12.892 -10.365 1.00 0.00 O ATOM 882 CB ASP A 56 7.562 -10.081 -10.050 1.00 0.00 C ATOM 883 CG ASP A 56 8.882 -10.688 -10.568 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.036 -10.853 -11.777 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.747 -10.988 -9.747 1.00 0.00 O ATOM 0 H ASP A 56 5.165 -10.035 -9.132 1.00 0.00 H new ATOM 0 HA ASP A 56 6.402 -9.979 -11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.640 -8.994 -10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.430 -10.365 -9.006 1.00 0.00 H new ATOM 890 N ILE A 57 6.237 -12.201 -12.532 1.00 0.00 N ATOM 891 CA ILE A 57 6.203 -13.540 -13.109 1.00 0.00 C ATOM 892 C ILE A 57 7.619 -13.887 -13.594 1.00 0.00 C ATOM 893 O ILE A 57 7.970 -13.850 -14.767 1.00 0.00 O ATOM 894 CB ILE A 57 5.096 -13.617 -14.165 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.755 -13.235 -13.504 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.021 -15.023 -14.783 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.548 -13.336 -14.421 1.00 0.00 C ATOM 0 H ILE A 57 6.237 -11.447 -13.219 1.00 0.00 H new ATOM 0 HA ILE A 57 5.938 -14.307 -12.381 1.00 0.00 H new ATOM 0 HB ILE A 57 5.316 -12.920 -14.974 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.594 -13.880 -12.640 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.827 -12.214 -13.130 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.227 -15.050 -15.529 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.973 -15.264 -15.257 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.810 -15.753 -14.002 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.650 -13.049 -13.874 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.682 -12.670 -15.273 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.445 -14.362 -14.775 1.00 0.00 H new ATOM 909 N THR A 58 8.379 -14.207 -12.534 1.00 0.00 N ATOM 910 CA THR A 58 9.785 -14.578 -12.568 1.00 0.00 C ATOM 911 C THR A 58 9.934 -16.098 -12.669 1.00 0.00 C ATOM 912 O THR A 58 8.988 -16.852 -12.476 1.00 0.00 O ATOM 913 CB THR A 58 10.465 -14.086 -11.259 1.00 0.00 C ATOM 914 OG1 THR A 58 11.866 -14.474 -11.127 1.00 0.00 O ATOM 915 CG2 THR A 58 9.548 -14.321 -10.005 1.00 0.00 C ATOM 0 H THR A 58 8.001 -14.211 -11.587 1.00 0.00 H new ATOM 0 HA THR A 58 10.255 -14.119 -13.438 1.00 0.00 H new ATOM 0 HB THR A 58 10.556 -13.002 -11.328 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.345 -13.797 -10.605 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.057 -13.965 -9.110 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.612 -13.776 -10.131 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.337 -15.386 -9.903 1.00 0.00 H new ATOM 923 N THR A 59 11.195 -16.497 -12.962 1.00 0.00 N ATOM 924 CA THR A 59 11.501 -17.922 -13.080 1.00 0.00 C ATOM 925 C THR A 59 11.561 -18.620 -11.707 1.00 0.00 C ATOM 926 O THR A 59 11.720 -19.832 -11.647 1.00 0.00 O ATOM 927 CB THR A 59 12.806 -18.224 -13.888 1.00 0.00 C ATOM 928 OG1 THR A 59 13.223 -19.629 -13.969 1.00 0.00 O ATOM 929 CG2 THR A 59 13.977 -17.264 -13.523 1.00 0.00 C ATOM 0 H THR A 59 11.984 -15.869 -13.114 1.00 0.00 H new ATOM 0 HA THR A 59 10.669 -18.334 -13.650 1.00 0.00 H new ATOM 0 HB THR A 59 12.509 -18.006 -14.914 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.747 -20.151 -13.290 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.856 -17.521 -14.114 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.684 -16.236 -13.736 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.211 -17.363 -12.463 1.00 0.00 H new ATOM 937 N GLN A 60 11.434 -17.824 -10.617 1.00 0.00 N ATOM 938 CA GLN A 60 11.453 -18.434 -9.289 1.00 0.00 C ATOM 939 C GLN A 60 10.075 -19.043 -8.953 1.00 0.00 C ATOM 940 O GLN A 60 9.983 -20.186 -8.521 1.00 0.00 O ATOM 941 CB GLN A 60 11.916 -17.468 -8.194 1.00 0.00 C ATOM 942 CG GLN A 60 13.384 -17.026 -8.356 1.00 0.00 C ATOM 943 CD GLN A 60 13.540 -15.678 -9.062 1.00 0.00 C ATOM 944 OE1 GLN A 60 13.022 -14.662 -8.624 1.00 0.00 O ATOM 945 NE2 GLN A 60 14.291 -15.734 -10.173 1.00 0.00 N ATOM 0 H GLN A 60 11.323 -16.810 -10.636 1.00 0.00 H new ATOM 0 HA GLN A 60 12.192 -19.234 -9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.275 -16.587 -8.201 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.792 -17.945 -7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.849 -16.968 -7.372 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.924 -17.787 -8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.690 -16.623 -10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.463 -14.888 -10.716 1.00 0.00 H new ATOM 954 N GLY A 61 9.022 -18.224 -9.181 1.00 0.00 N ATOM 955 CA GLY A 61 7.666 -18.702 -8.919 1.00 0.00 C ATOM 956 C GLY A 61 6.717 -17.599 -8.441 1.00 0.00 C ATOM 957 O GLY A 61 6.661 -17.284 -7.261 1.00 0.00 O ATOM 0 H GLY A 61 9.089 -17.269 -9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.264 -19.149 -9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.705 -19.490 -8.167 1.00 0.00 H new ATOM 961 N GLU A 62 5.978 -17.074 -9.449 1.00 0.00 N ATOM 962 CA GLU A 62 4.943 -16.029 -9.417 1.00 0.00 C ATOM 963 C GLU A 62 4.889 -15.324 -8.022 1.00 0.00 C ATOM 964 O GLU A 62 4.188 -15.746 -7.111 1.00 0.00 O ATOM 965 CB GLU A 62 3.626 -16.756 -9.761 1.00 0.00 C ATOM 966 CG GLU A 62 2.592 -15.889 -10.495 1.00 0.00 C ATOM 967 CD GLU A 62 1.180 -16.047 -9.917 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.992 -15.712 -8.751 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.289 -16.497 -10.636 1.00 0.00 O ATOM 0 H GLU A 62 6.112 -17.413 -10.402 1.00 0.00 H new ATOM 0 HA GLU A 62 5.145 -15.227 -10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.856 -17.625 -10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.180 -17.129 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.891 -14.843 -10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.581 -16.157 -11.551 1.00 0.00 H new ATOM 976 N VAL A 63 5.683 -14.240 -7.920 1.00 0.00 N ATOM 977 CA VAL A 63 5.855 -13.463 -6.697 1.00 0.00 C ATOM 978 C VAL A 63 5.305 -12.073 -6.960 1.00 0.00 C ATOM 979 O VAL A 63 5.313 -11.676 -8.105 1.00 0.00 O ATOM 980 CB VAL A 63 7.386 -13.327 -6.483 1.00 0.00 C ATOM 981 CG1 VAL A 63 8.097 -14.687 -6.498 1.00 0.00 C ATOM 982 CG2 VAL A 63 8.067 -12.372 -7.501 1.00 0.00 C ATOM 0 H VAL A 63 6.228 -13.881 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 63 5.360 -13.924 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 63 7.491 -12.884 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.166 -14.540 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.699 -15.315 -5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.932 -15.173 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.136 -12.323 -7.295 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.910 -12.746 -8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.634 -11.376 -7.411 1.00 0.00 H new ATOM 992 N VAL A 64 4.844 -11.325 -5.936 1.00 0.00 N ATOM 993 CA VAL A 64 4.411 -9.957 -6.270 1.00 0.00 C ATOM 994 C VAL A 64 5.728 -9.128 -6.364 1.00 0.00 C ATOM 995 O VAL A 64 6.755 -9.617 -6.787 1.00 0.00 O ATOM 996 CB VAL A 64 3.353 -9.432 -5.255 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.586 -8.149 -5.633 1.00 0.00 C ATOM 998 CG2 VAL A 64 2.217 -10.413 -5.113 1.00 0.00 C ATOM 0 H VAL A 64 4.766 -11.610 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 64 3.879 -9.888 -7.219 1.00 0.00 H new ATOM 0 HB VAL A 64 3.977 -9.262 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.883 -7.898 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.292 -7.329 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.040 -8.312 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.489 -10.026 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.736 -10.555 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.603 -11.368 -4.756 1.00 0.00 H new ATOM 1008 N LYS A 65 5.639 -7.871 -5.974 1.00 0.00 N ATOM 1009 CA LYS A 65 6.706 -6.877 -5.913 1.00 0.00 C ATOM 1010 C LYS A 65 6.305 -5.869 -4.837 1.00 0.00 C ATOM 1011 O LYS A 65 5.173 -5.882 -4.381 1.00 0.00 O ATOM 1012 CB LYS A 65 6.848 -6.141 -7.255 1.00 0.00 C ATOM 1013 CG LYS A 65 7.605 -6.938 -8.316 1.00 0.00 C ATOM 1014 CD LYS A 65 9.125 -6.847 -8.123 1.00 0.00 C ATOM 1015 CE LYS A 65 9.891 -7.455 -9.294 1.00 0.00 C ATOM 1016 NZ LYS A 65 11.340 -7.327 -9.176 1.00 0.00 N ATOM 0 H LYS A 65 4.748 -7.482 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 65 7.657 -7.360 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.855 -5.900 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.363 -5.195 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.296 -7.982 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.342 -6.566 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.413 -5.802 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.404 -7.360 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.634 -8.511 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.567 -6.975 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.713 -6.829 -10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.572 -6.788 -8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.768 -8.273 -9.117 1.00 0.00 H new ATOM 1030 N HIS A 66 7.282 -5.014 -4.454 1.00 0.00 N ATOM 1031 CA HIS A 66 7.058 -3.977 -3.452 1.00 0.00 C ATOM 1032 C HIS A 66 7.867 -2.710 -3.851 1.00 0.00 C ATOM 1033 O HIS A 66 9.052 -2.808 -4.147 1.00 0.00 O ATOM 1034 CB HIS A 66 7.647 -4.410 -2.091 1.00 0.00 C ATOM 1035 CG HIS A 66 7.076 -5.682 -1.496 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.819 -6.151 -1.658 1.00 0.00 N ATOM 1037 CD2 HIS A 66 7.761 -6.570 -0.647 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.750 -7.283 -0.931 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.907 -7.559 -0.308 1.00 0.00 N ATOM 0 H HIS A 66 8.229 -5.032 -4.831 1.00 0.00 H new ATOM 0 HA HIS A 66 5.985 -3.798 -3.389 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.723 -4.538 -2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.497 -3.599 -1.378 1.00 0.00 H new ATOM 0 HD1 HIS A 66 5.075 -5.733 -2.217 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.787 -6.477 -0.324 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.865 -7.898 -0.858 1.00 0.00 H new ATOM 1047 N TYR A 67 7.195 -1.530 -3.829 1.00 0.00 N ATOM 1048 CA TYR A 67 7.852 -0.247 -4.147 1.00 0.00 C ATOM 1049 C TYR A 67 7.410 0.785 -3.091 1.00 0.00 C ATOM 1050 O TYR A 67 6.375 0.644 -2.450 1.00 0.00 O ATOM 1051 CB TYR A 67 7.570 0.273 -5.572 1.00 0.00 C ATOM 1052 CG TYR A 67 7.805 -0.774 -6.622 1.00 0.00 C ATOM 1053 CD1 TYR A 67 6.793 -1.661 -6.945 1.00 0.00 C ATOM 1054 CD2 TYR A 67 9.032 -0.892 -7.261 1.00 0.00 C ATOM 1055 CE1 TYR A 67 7.002 -2.680 -7.852 1.00 0.00 C ATOM 1056 CE2 TYR A 67 9.251 -1.903 -8.194 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.230 -2.806 -8.507 1.00 0.00 C ATOM 1058 OH TYR A 67 8.435 -3.824 -9.435 1.00 0.00 O ATOM 0 H TYR A 67 6.206 -1.446 -3.595 1.00 0.00 H new ATOM 0 HA TYR A 67 8.930 -0.409 -4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.538 0.618 -5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.206 1.135 -5.774 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.824 -1.554 -6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.824 -0.194 -7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.210 -3.385 -8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.213 -1.990 -8.677 1.00 0.00 H new ATOM 0 HH TYR A 67 8.677 -3.434 -10.301 1.00 0.00 H new ATOM 1068 N LYS A 68 8.269 1.821 -2.962 1.00 0.00 N ATOM 1069 CA LYS A 68 8.082 2.902 -2.001 1.00 0.00 C ATOM 1070 C LYS A 68 7.939 4.275 -2.693 1.00 0.00 C ATOM 1071 O LYS A 68 8.891 4.931 -3.095 1.00 0.00 O ATOM 1072 CB LYS A 68 9.210 2.864 -0.963 1.00 0.00 C ATOM 1073 CG LYS A 68 10.595 2.789 -1.594 1.00 0.00 C ATOM 1074 CD LYS A 68 11.001 1.358 -1.987 1.00 0.00 C ATOM 1075 CE LYS A 68 12.239 0.851 -1.245 1.00 0.00 C ATOM 1076 NZ LYS A 68 11.969 0.578 0.164 1.00 0.00 N ATOM 0 H LYS A 68 9.111 1.920 -3.529 1.00 0.00 H new ATOM 0 HA LYS A 68 7.139 2.751 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.150 3.754 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.067 2.003 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.619 3.424 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.329 3.190 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.167 0.685 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.191 1.324 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.601 -0.058 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.035 1.592 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.837 0.237 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.649 1.450 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.228 -0.148 0.241 1.00 0.00 H new ATOM 1090 N ILE A 69 6.649 4.639 -2.779 1.00 0.00 N ATOM 1091 CA ILE A 69 6.175 5.902 -3.347 1.00 0.00 C ATOM 1092 C ILE A 69 6.005 6.959 -2.254 1.00 0.00 C ATOM 1093 O ILE A 69 5.138 6.874 -1.395 1.00 0.00 O ATOM 1094 CB ILE A 69 4.916 5.800 -4.242 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.970 4.650 -3.878 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.108 6.052 -5.741 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.352 3.967 -5.081 1.00 0.00 C ATOM 0 H ILE A 69 5.891 4.044 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 69 6.962 6.214 -4.034 1.00 0.00 H new ATOM 0 HB ILE A 69 4.362 6.696 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.518 3.911 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.174 5.034 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.151 5.950 -6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.496 7.059 -5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.814 5.326 -6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.695 3.164 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.775 4.692 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.141 3.552 -5.709 1.00 0.00 H new ATOM 1109 N ARG A 70 6.897 7.956 -2.366 1.00 0.00 N ATOM 1110 CA ARG A 70 6.883 9.095 -1.463 1.00 0.00 C ATOM 1111 C ARG A 70 6.209 10.205 -2.227 1.00 0.00 C ATOM 1112 O ARG A 70 6.526 10.450 -3.376 1.00 0.00 O ATOM 1113 CB ARG A 70 8.290 9.573 -1.106 1.00 0.00 C ATOM 1114 CG ARG A 70 8.998 8.602 -0.170 1.00 0.00 C ATOM 1115 CD ARG A 70 9.423 7.381 -0.977 1.00 0.00 C ATOM 1116 NE ARG A 70 10.623 6.738 -0.451 1.00 0.00 N ATOM 1117 CZ ARG A 70 10.656 6.061 0.716 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.583 5.950 1.489 1.00 0.00 N ATOM 1119 NH2 ARG A 70 11.790 5.495 1.100 1.00 0.00 N ATOM 0 H ARG A 70 7.631 7.988 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 70 6.382 8.819 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.876 9.691 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.232 10.554 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.867 9.078 0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.335 8.307 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.607 6.659 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.601 7.679 -2.010 1.00 0.00 H new ATOM 0 HE ARG A 70 11.483 6.804 -0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.704 6.383 1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.638 5.432 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.623 5.574 0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.831 4.980 1.979 1.00 0.00 H new ATOM 1133 N SER A 71 5.281 10.833 -1.504 1.00 0.00 N ATOM 1134 CA SER A 71 4.497 11.927 -2.034 1.00 0.00 C ATOM 1135 C SER A 71 5.216 13.238 -1.733 1.00 0.00 C ATOM 1136 O SER A 71 5.415 13.608 -0.583 1.00 0.00 O ATOM 1137 CB SER A 71 3.144 11.951 -1.304 1.00 0.00 C ATOM 1138 OG SER A 71 3.173 12.093 0.170 1.00 0.00 O ATOM 0 H SER A 71 5.059 10.592 -0.538 1.00 0.00 H new ATOM 0 HA SER A 71 4.359 11.804 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.555 12.773 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.614 11.029 -1.544 1.00 0.00 H new ATOM 0 HG SER A 71 3.103 13.041 0.409 1.00 0.00 H new ATOM 1144 N LEU A 72 5.592 13.905 -2.831 1.00 0.00 N ATOM 1145 CA LEU A 72 6.304 15.162 -2.759 1.00 0.00 C ATOM 1146 C LEU A 72 5.332 16.300 -3.015 1.00 0.00 C ATOM 1147 O LEU A 72 4.432 16.228 -3.841 1.00 0.00 O ATOM 1148 CB LEU A 72 7.450 15.192 -3.784 1.00 0.00 C ATOM 1149 CG LEU A 72 8.157 13.863 -3.965 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.444 13.225 -2.594 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.419 13.000 -5.002 1.00 0.00 C ATOM 0 H LEU A 72 5.408 13.582 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 72 6.739 15.274 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.053 15.514 -4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.180 15.940 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 72 9.147 13.992 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.952 12.271 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.079 13.890 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.505 13.061 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.939 12.049 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.400 12.816 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.395 13.522 -5.959 1.00 0.00 H new ATOM 1163 N ASP A 73 5.606 17.347 -2.233 1.00 0.00 N ATOM 1164 CA ASP A 73 4.822 18.574 -2.333 1.00 0.00 C ATOM 1165 C ASP A 73 5.153 19.334 -3.633 1.00 0.00 C ATOM 1166 O ASP A 73 4.323 20.020 -4.216 1.00 0.00 O ATOM 1167 CB ASP A 73 5.109 19.471 -1.117 1.00 0.00 C ATOM 1168 CG ASP A 73 6.616 19.732 -0.915 1.00 0.00 C ATOM 1169 OD1 ASP A 73 7.291 18.879 -0.338 1.00 0.00 O ATOM 1170 OD2 ASP A 73 7.096 20.782 -1.343 1.00 0.00 O ATOM 0 H ASP A 73 6.351 17.369 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 73 3.765 18.309 -2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.593 20.423 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.702 19.003 -0.221 1.00 0.00 H new ATOM 1175 N ASN A 74 6.427 19.132 -4.032 1.00 0.00 N ATOM 1176 CA ASN A 74 7.000 19.756 -5.214 1.00 0.00 C ATOM 1177 C ASN A 74 7.190 18.776 -6.393 1.00 0.00 C ATOM 1178 O ASN A 74 7.749 19.145 -7.419 1.00 0.00 O ATOM 1179 CB ASN A 74 8.350 20.373 -4.811 1.00 0.00 C ATOM 1180 CG ASN A 74 9.319 19.329 -4.220 1.00 0.00 C ATOM 1181 OD1 ASN A 74 9.940 18.553 -4.931 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.400 19.358 -2.882 1.00 0.00 N ATOM 0 H ASN A 74 7.078 18.527 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 74 6.304 20.515 -5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.809 20.838 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.182 21.164 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.011 18.703 -2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.851 20.035 -2.352 1.00 0.00 H new ATOM 1189 N GLY A 75 6.707 17.530 -6.208 1.00 0.00 N ATOM 1190 CA GLY A 75 6.892 16.565 -7.292 1.00 0.00 C ATOM 1191 C GLY A 75 5.908 15.399 -7.348 1.00 0.00 C ATOM 1192 O GLY A 75 6.148 14.424 -8.036 1.00 0.00 O ATOM 0 H GLY A 75 6.221 17.191 -5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.837 17.102 -8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.900 16.156 -7.215 1.00 0.00 H new ATOM 1196 N GLY A 76 4.805 15.521 -6.603 1.00 0.00 N ATOM 1197 CA GLY A 76 3.779 14.489 -6.628 1.00 0.00 C ATOM 1198 C GLY A 76 4.131 13.158 -5.965 1.00 0.00 C ATOM 1199 O GLY A 76 3.775 12.946 -4.818 1.00 0.00 O ATOM 0 H GLY A 76 4.607 16.310 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.886 14.885 -6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.518 14.293 -7.668 1.00 0.00 H new ATOM 1203 N TYR A 77 4.802 12.269 -6.749 1.00 0.00 N ATOM 1204 CA TYR A 77 5.189 10.939 -6.267 1.00 0.00 C ATOM 1205 C TYR A 77 6.435 10.464 -7.003 1.00 0.00 C ATOM 1206 O TYR A 77 6.623 10.739 -8.179 1.00 0.00 O ATOM 1207 CB TYR A 77 4.120 9.867 -6.529 1.00 0.00 C ATOM 1208 CG TYR A 77 2.897 10.084 -5.698 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.878 10.865 -6.195 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.760 9.499 -4.453 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.698 11.059 -5.499 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.594 9.680 -3.726 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.553 10.469 -4.236 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.616 10.643 -3.508 1.00 0.00 O ATOM 0 H TYR A 77 5.079 12.461 -7.712 1.00 0.00 H new ATOM 0 HA TYR A 77 5.344 11.051 -5.194 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.848 9.876 -7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.534 8.882 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.003 11.340 -7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.562 8.901 -4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.098 11.655 -5.922 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.486 9.210 -2.760 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.545 10.164 -2.656 1.00 0.00 H new ATOM 1224 N TYR A 78 7.263 9.723 -6.234 1.00 0.00 N ATOM 1225 CA TYR A 78 8.462 9.148 -6.831 1.00 0.00 C ATOM 1226 C TYR A 78 8.766 7.798 -6.152 1.00 0.00 C ATOM 1227 O TYR A 78 8.578 7.633 -4.955 1.00 0.00 O ATOM 1228 CB TYR A 78 9.679 10.098 -6.758 1.00 0.00 C ATOM 1229 CG TYR A 78 10.527 10.000 -5.513 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.485 9.000 -5.429 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.394 10.886 -4.449 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.293 8.846 -4.323 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.213 10.758 -3.332 1.00 0.00 C ATOM 1234 CZ TYR A 78 12.159 9.729 -3.247 1.00 0.00 C ATOM 1235 OH TYR A 78 12.960 9.599 -2.119 1.00 0.00 O ATOM 0 H TYR A 78 7.124 9.522 -5.244 1.00 0.00 H new ATOM 0 HA TYR A 78 8.270 8.990 -7.892 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.315 9.907 -7.622 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.319 11.123 -6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.602 8.319 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.655 11.673 -4.490 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.023 8.051 -4.288 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.118 11.462 -2.519 1.00 0.00 H new ATOM 0 HH TYR A 78 12.730 10.299 -1.472 1.00 0.00 H new ATOM 1245 N ILE A 79 9.245 6.870 -6.998 1.00 0.00 N ATOM 1246 CA ILE A 79 9.677 5.519 -6.590 1.00 0.00 C ATOM 1247 C ILE A 79 11.180 5.424 -6.808 1.00 0.00 C ATOM 1248 O ILE A 79 11.936 5.003 -5.941 1.00 0.00 O ATOM 1249 CB ILE A 79 8.775 4.373 -7.080 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.092 4.750 -8.394 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.837 3.820 -6.008 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.236 3.633 -8.980 1.00 0.00 C ATOM 0 H ILE A 79 9.345 7.038 -7.999 1.00 0.00 H new ATOM 0 HA ILE A 79 9.520 5.363 -5.523 1.00 0.00 H new ATOM 0 HB ILE A 79 9.418 3.520 -7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.467 5.627 -8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.853 5.033 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.235 3.016 -6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.424 3.434 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.182 4.615 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.783 3.972 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.860 2.761 -9.177 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.452 3.365 -8.271 1.00 0.00 H new ATOM 1264 N SER A 80 11.540 5.884 -8.014 1.00 0.00 N ATOM 1265 CA SER A 80 12.932 6.010 -8.390 1.00 0.00 C ATOM 1266 C SER A 80 13.071 7.536 -8.411 1.00 0.00 C ATOM 1267 O SER A 80 12.267 8.192 -9.055 1.00 0.00 O ATOM 1268 CB SER A 80 13.191 5.400 -9.797 1.00 0.00 C ATOM 1269 OG SER A 80 12.523 4.141 -10.205 1.00 0.00 O ATOM 0 H SER A 80 10.879 6.171 -8.736 1.00 0.00 H new ATOM 0 HA SER A 80 13.634 5.495 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.923 6.159 -10.531 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.265 5.237 -9.885 1.00 0.00 H new ATOM 0 HG SER A 80 12.798 3.905 -11.116 1.00 0.00 H new ATOM 1275 N PRO A 81 14.072 8.125 -7.705 1.00 0.00 N ATOM 1276 CA PRO A 81 14.191 9.585 -7.684 1.00 0.00 C ATOM 1277 C PRO A 81 14.397 10.239 -9.064 1.00 0.00 C ATOM 1278 O PRO A 81 14.186 11.433 -9.239 1.00 0.00 O ATOM 1279 CB PRO A 81 15.345 9.853 -6.714 1.00 0.00 C ATOM 1280 CG PRO A 81 15.612 8.535 -5.985 1.00 0.00 C ATOM 1281 CD PRO A 81 15.081 7.448 -6.900 1.00 0.00 C ATOM 0 HA PRO A 81 13.256 10.045 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.233 10.187 -7.250 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.084 10.641 -6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.677 8.401 -5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.110 8.513 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.872 7.028 -7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.651 6.623 -6.332 1.00 0.00 H new ATOM 1289 N ARG A 82 14.768 9.370 -10.030 1.00 0.00 N ATOM 1290 CA ARG A 82 14.962 9.783 -11.415 1.00 0.00 C ATOM 1291 C ARG A 82 13.586 10.004 -12.092 1.00 0.00 C ATOM 1292 O ARG A 82 13.423 10.932 -12.873 1.00 0.00 O ATOM 1293 CB ARG A 82 15.929 8.814 -12.122 1.00 0.00 C ATOM 1294 CG ARG A 82 15.446 7.359 -12.195 1.00 0.00 C ATOM 1295 CD ARG A 82 14.619 7.095 -13.447 1.00 0.00 C ATOM 1296 NE ARG A 82 15.496 6.863 -14.586 1.00 0.00 N ATOM 1297 CZ ARG A 82 15.032 6.470 -15.790 1.00 0.00 C ATOM 1298 NH1 ARG A 82 13.738 6.265 -15.999 1.00 0.00 N ATOM 1299 NH2 ARG A 82 15.886 6.289 -16.786 1.00 0.00 N ATOM 0 H ARG A 82 14.937 8.378 -9.863 1.00 0.00 H new ATOM 0 HA ARG A 82 15.457 10.752 -11.483 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.105 9.174 -13.135 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.888 8.838 -11.604 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.307 6.690 -12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.850 7.130 -11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.975 6.229 -13.291 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.967 7.945 -13.647 1.00 0.00 H new ATOM 0 HE ARG A 82 16.500 7.003 -14.469 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.071 6.404 -15.240 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.411 5.968 -16.918 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.883 6.447 -16.638 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.547 5.992 -17.701 1.00 0.00 H new ATOM 1313 N ILE A 83 12.618 9.113 -11.740 1.00 0.00 N ATOM 1314 CA ILE A 83 11.245 9.223 -12.244 1.00 0.00 C ATOM 1315 C ILE A 83 10.269 9.616 -11.122 1.00 0.00 C ATOM 1316 O ILE A 83 9.999 8.909 -10.151 1.00 0.00 O ATOM 1317 CB ILE A 83 10.713 8.065 -13.065 1.00 0.00 C ATOM 1318 CG1 ILE A 83 10.947 6.705 -12.419 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.182 8.136 -14.524 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.315 5.651 -13.310 1.00 0.00 C ATOM 0 H ILE A 83 12.774 8.322 -11.115 1.00 0.00 H new ATOM 0 HA ILE A 83 11.313 10.027 -12.977 1.00 0.00 H new ATOM 0 HB ILE A 83 9.629 8.175 -13.084 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.014 6.516 -12.303 1.00 0.00 H new ATOM 0 HG13 ILE A 83 10.507 6.675 -11.422 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.779 7.288 -15.078 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.830 9.064 -14.975 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.271 8.106 -14.558 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.467 4.665 -12.871 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.247 5.846 -13.403 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.777 5.684 -14.297 1.00 0.00 H new ATOM 1332 N THR A 84 9.757 10.823 -11.414 1.00 0.00 N ATOM 1333 CA THR A 84 8.815 11.554 -10.596 1.00 0.00 C ATOM 1334 C THR A 84 7.639 11.959 -11.505 1.00 0.00 C ATOM 1335 O THR A 84 7.793 12.155 -12.705 1.00 0.00 O ATOM 1336 CB THR A 84 9.580 12.818 -10.115 1.00 0.00 C ATOM 1337 OG1 THR A 84 11.038 12.781 -9.932 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.913 13.364 -8.848 1.00 0.00 C ATOM 0 H THR A 84 10.008 11.325 -12.266 1.00 0.00 H new ATOM 0 HA THR A 84 8.434 10.983 -9.749 1.00 0.00 H new ATOM 0 HB THR A 84 9.493 13.471 -10.984 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.352 13.658 -9.629 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.448 14.251 -8.509 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.878 13.626 -9.066 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.938 12.604 -8.067 1.00 0.00 H new ATOM 1346 N PHE A 85 6.479 12.080 -10.838 1.00 0.00 N ATOM 1347 CA PHE A 85 5.218 12.413 -11.534 1.00 0.00 C ATOM 1348 C PHE A 85 4.356 13.272 -10.590 1.00 0.00 C ATOM 1349 O PHE A 85 4.389 13.058 -9.392 1.00 0.00 O ATOM 1350 CB PHE A 85 4.497 11.113 -11.944 1.00 0.00 C ATOM 1351 CG PHE A 85 5.176 10.446 -13.117 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.231 9.566 -12.906 1.00 0.00 C ATOM 1353 CD2 PHE A 85 4.782 10.713 -14.426 1.00 0.00 C ATOM 1354 CE1 PHE A 85 6.888 8.980 -13.979 1.00 0.00 C ATOM 1355 CE2 PHE A 85 5.435 10.117 -15.501 1.00 0.00 C ATOM 1356 CZ PHE A 85 6.496 9.250 -15.274 1.00 0.00 C ATOM 0 H PHE A 85 6.385 11.955 -9.830 1.00 0.00 H new ATOM 0 HA PHE A 85 5.412 12.981 -12.444 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.474 10.427 -11.098 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.462 11.336 -12.201 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.542 9.336 -11.898 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.961 11.390 -14.609 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.713 8.307 -13.799 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.117 10.329 -16.511 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.010 8.791 -16.105 1.00 0.00 H new ATOM 1366 N PRO A 86 3.547 14.227 -11.150 1.00 0.00 N ATOM 1367 CA PRO A 86 2.729 15.147 -10.338 1.00 0.00 C ATOM 1368 C PRO A 86 1.631 14.488 -9.476 1.00 0.00 C ATOM 1369 O PRO A 86 1.025 15.131 -8.628 1.00 0.00 O ATOM 1370 CB PRO A 86 2.108 16.096 -11.379 1.00 0.00 C ATOM 1371 CG PRO A 86 2.119 15.303 -12.687 1.00 0.00 C ATOM 1372 CD PRO A 86 3.356 14.410 -12.589 1.00 0.00 C ATOM 0 HA PRO A 86 3.356 15.633 -9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.094 16.382 -11.098 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.685 17.016 -11.469 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.211 14.711 -12.799 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.176 15.965 -13.551 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.202 13.457 -13.096 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.225 14.879 -13.051 1.00 0.00 H new ATOM 1380 N THR A 87 1.427 13.183 -9.722 1.00 0.00 N ATOM 1381 CA THR A 87 0.450 12.395 -8.980 1.00 0.00 C ATOM 1382 C THR A 87 0.714 10.942 -9.340 1.00 0.00 C ATOM 1383 O THR A 87 1.434 10.645 -10.286 1.00 0.00 O ATOM 1384 CB THR A 87 -1.033 12.686 -9.332 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.030 11.771 -8.775 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.190 12.998 -10.836 1.00 0.00 C ATOM 0 H THR A 87 1.933 12.657 -10.434 1.00 0.00 H new ATOM 0 HA THR A 87 0.571 12.642 -7.925 1.00 0.00 H new ATOM 0 HB THR A 87 -1.290 13.594 -8.787 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.812 11.741 -9.365 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.238 13.199 -11.059 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.591 13.872 -11.091 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.852 12.143 -11.422 1.00 0.00 H new ATOM 1394 N LEU A 88 0.079 10.047 -8.546 1.00 0.00 N ATOM 1395 CA LEU A 88 0.257 8.644 -8.856 1.00 0.00 C ATOM 1396 C LEU A 88 -0.377 8.359 -10.216 1.00 0.00 C ATOM 1397 O LEU A 88 0.153 7.558 -10.954 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.458 7.661 -7.913 1.00 0.00 C ATOM 1399 CG LEU A 88 0.041 7.534 -6.481 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -0.826 6.480 -5.818 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.467 7.013 -6.406 1.00 0.00 C ATOM 0 H LEU A 88 -0.516 10.265 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 88 1.334 8.490 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.510 7.945 -7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.412 6.672 -8.369 1.00 0.00 H new ATOM 0 HG LEU A 88 0.001 8.517 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.510 6.347 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.868 6.799 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.723 5.536 -6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.774 6.941 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.519 6.027 -6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.132 7.696 -6.934 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.491 9.050 -10.557 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.143 8.672 -11.819 1.00 0.00 C ATOM 1415 C GLN A 89 -1.289 8.904 -13.074 1.00 0.00 C ATOM 1416 O GLN A 89 -1.388 8.165 -14.041 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.585 9.164 -11.871 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.789 10.576 -12.377 1.00 0.00 C ATOM 1419 CD GLN A 89 -4.779 11.356 -11.515 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -4.301 11.544 -10.283 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -5.863 11.738 -11.927 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.922 9.806 -10.026 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.223 7.585 -11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.156 8.486 -12.506 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.008 9.094 -10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.832 11.097 -12.392 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.150 10.544 -13.405 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.140 11.545 -12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.492 12.251 -11.309 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.430 9.935 -12.984 1.00 0.00 N ATOM 1431 CA ALA A 90 0.489 10.234 -14.089 1.00 0.00 C ATOM 1432 C ALA A 90 1.641 9.189 -14.136 1.00 0.00 C ATOM 1433 O ALA A 90 2.298 8.979 -15.146 1.00 0.00 O ATOM 1434 CB ALA A 90 1.033 11.657 -13.904 1.00 0.00 C ATOM 0 H ALA A 90 -0.355 10.558 -12.180 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.040 10.175 -15.040 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.718 11.893 -14.718 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.205 12.366 -13.908 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.563 11.723 -12.954 1.00 0.00 H new ATOM 1440 N LEU A 91 1.821 8.550 -12.966 1.00 0.00 N ATOM 1441 CA LEU A 91 2.791 7.489 -12.722 1.00 0.00 C ATOM 1442 C LEU A 91 2.221 6.159 -13.267 1.00 0.00 C ATOM 1443 O LEU A 91 2.928 5.355 -13.858 1.00 0.00 O ATOM 1444 CB LEU A 91 3.127 7.566 -11.208 1.00 0.00 C ATOM 1445 CG LEU A 91 3.518 6.303 -10.420 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.218 6.682 -9.107 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.337 5.415 -10.040 1.00 0.00 C ATOM 0 H LEU A 91 1.269 8.774 -12.138 1.00 0.00 H new ATOM 0 HA LEU A 91 3.740 7.585 -13.250 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.945 8.278 -11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.259 7.998 -10.709 1.00 0.00 H new ATOM 0 HG LEU A 91 4.170 5.750 -11.095 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.487 5.776 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.119 7.254 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.545 7.285 -8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.697 4.547 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.643 5.979 -9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.826 5.083 -10.944 1.00 0.00 H new ATOM 1459 N VAL A 92 0.889 6.014 -13.089 1.00 0.00 N ATOM 1460 CA VAL A 92 0.148 4.840 -13.511 1.00 0.00 C ATOM 1461 C VAL A 92 -0.262 4.931 -15.004 1.00 0.00 C ATOM 1462 O VAL A 92 -0.781 3.972 -15.550 1.00 0.00 O ATOM 1463 CB VAL A 92 -1.100 4.674 -12.592 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.549 3.240 -12.457 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.925 5.093 -11.129 1.00 0.00 C ATOM 0 H VAL A 92 0.308 6.724 -12.643 1.00 0.00 H new ATOM 0 HA VAL A 92 0.787 3.962 -13.416 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.804 5.325 -13.111 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.421 3.192 -11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.808 2.846 -13.440 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.742 2.645 -12.029 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.859 4.932 -10.590 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.135 4.497 -10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.657 6.148 -11.082 1.00 0.00 H new ATOM 1475 N GLN A 93 0.000 6.107 -15.635 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.357 6.342 -17.041 1.00 0.00 C ATOM 1477 C GLN A 93 0.831 5.897 -17.916 1.00 0.00 C ATOM 1478 O GLN A 93 0.715 5.122 -18.860 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.785 7.811 -17.319 1.00 0.00 C ATOM 1480 CG GLN A 93 0.311 8.814 -17.734 1.00 0.00 C ATOM 1481 CD GLN A 93 -0.165 10.274 -17.765 1.00 0.00 C ATOM 1482 OE1 GLN A 93 0.546 11.179 -17.353 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -1.393 10.456 -18.274 1.00 0.00 N ATOM 0 H GLN A 93 0.457 6.900 -15.184 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.238 5.751 -17.292 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.540 7.797 -18.105 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.267 8.195 -16.420 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.149 8.729 -17.042 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.684 8.542 -18.721 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.934 9.655 -18.600 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.786 11.395 -18.335 1.00 0.00 H new ATOM 1492 N HIS A 94 1.994 6.434 -17.480 1.00 0.00 N ATOM 1493 CA HIS A 94 3.269 6.188 -18.127 1.00 0.00 C ATOM 1494 C HIS A 94 3.649 4.712 -17.996 1.00 0.00 C ATOM 1495 O HIS A 94 4.058 4.078 -18.959 1.00 0.00 O ATOM 1496 CB HIS A 94 4.330 7.093 -17.485 1.00 0.00 C ATOM 1497 CG HIS A 94 5.673 6.901 -18.153 1.00 0.00 C ATOM 1498 ND1 HIS A 94 6.795 6.556 -17.491 1.00 0.00 N ATOM 1499 CD2 HIS A 94 5.990 7.044 -19.516 1.00 0.00 C ATOM 1500 CE1 HIS A 94 7.765 6.496 -18.418 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.309 6.783 -19.650 1.00 0.00 N ATOM 0 H HIS A 94 2.057 7.048 -16.668 1.00 0.00 H new ATOM 0 HA HIS A 94 3.201 6.418 -19.190 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.023 8.136 -17.567 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.412 6.868 -16.422 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.306 7.312 -20.308 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.793 6.246 -18.199 1.00 0.00 H new ATOM 0 HE2 HIS A 94 7.851 6.800 -20.514 1.00 0.00 H new ATOM 1509 N TYR A 95 3.463 4.206 -16.756 1.00 0.00 N ATOM 1510 CA TYR A 95 3.796 2.809 -16.500 1.00 0.00 C ATOM 1511 C TYR A 95 2.899 1.852 -17.285 1.00 0.00 C ATOM 1512 O TYR A 95 3.332 0.758 -17.619 1.00 0.00 O ATOM 1513 CB TYR A 95 3.812 2.481 -15.004 1.00 0.00 C ATOM 1514 CG TYR A 95 4.861 3.229 -14.209 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.828 4.058 -14.781 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.847 3.104 -12.831 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.727 4.768 -13.995 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.732 3.806 -12.037 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.676 4.668 -12.602 1.00 0.00 C ATOM 1520 OH TYR A 95 7.545 5.401 -11.797 1.00 0.00 O ATOM 0 H TYR A 95 3.100 4.726 -15.957 1.00 0.00 H new ATOM 0 HA TYR A 95 4.813 2.661 -16.864 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.830 2.703 -14.586 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.976 1.410 -14.881 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.878 4.149 -15.856 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.129 2.444 -12.367 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.468 5.400 -14.462 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.694 3.687 -10.964 1.00 0.00 H new ATOM 0 HH TYR A 95 7.033 5.867 -11.103 1.00 0.00 H new ATOM 1530 N SER A 96 1.655 2.314 -17.588 1.00 0.00 N ATOM 1531 CA SER A 96 0.766 1.428 -18.351 1.00 0.00 C ATOM 1532 C SER A 96 1.381 0.975 -19.679 1.00 0.00 C ATOM 1533 O SER A 96 1.254 -0.186 -20.044 1.00 0.00 O ATOM 1534 CB SER A 96 -0.607 2.093 -18.695 1.00 0.00 C ATOM 1535 OG SER A 96 -1.550 2.518 -17.639 1.00 0.00 O ATOM 0 H SER A 96 1.275 3.226 -17.334 1.00 0.00 H new ATOM 0 HA SER A 96 0.616 0.574 -17.690 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.389 2.975 -19.297 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.145 1.394 -19.336 1.00 0.00 H new ATOM 0 HG SER A 96 -1.134 3.215 -17.090 1.00 0.00 H new ATOM 1541 N LYS A 97 2.036 1.928 -20.377 1.00 0.00 N ATOM 1542 CA LYS A 97 2.621 1.561 -21.678 1.00 0.00 C ATOM 1543 C LYS A 97 4.120 1.359 -21.659 1.00 0.00 C ATOM 1544 O LYS A 97 4.706 0.840 -22.602 1.00 0.00 O ATOM 1545 CB LYS A 97 2.201 2.562 -22.748 1.00 0.00 C ATOM 1546 CG LYS A 97 0.683 2.698 -22.758 1.00 0.00 C ATOM 1547 CD LYS A 97 -0.053 1.367 -22.904 1.00 0.00 C ATOM 1548 CE LYS A 97 -1.571 1.548 -22.981 1.00 0.00 C ATOM 1549 NZ LYS A 97 -2.270 0.270 -23.046 1.00 0.00 N ATOM 0 H LYS A 97 2.167 2.896 -20.084 1.00 0.00 H new ATOM 0 HA LYS A 97 2.216 0.579 -21.924 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.661 3.531 -22.554 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.553 2.233 -23.726 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.364 3.180 -21.834 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.392 3.356 -23.577 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.296 0.858 -23.802 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.192 0.724 -22.058 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.914 2.105 -22.110 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.821 2.143 -23.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.295 0.437 -23.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.962 -0.252 -23.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.052 -0.288 -22.196 1.00 0.00 H new ATOM 1563 N LYS A 98 4.690 1.757 -20.521 1.00 0.00 N ATOM 1564 CA LYS A 98 6.108 1.639 -20.345 1.00 0.00 C ATOM 1565 C LYS A 98 6.411 1.791 -18.849 1.00 0.00 C ATOM 1566 O LYS A 98 6.519 2.893 -18.329 1.00 0.00 O ATOM 1567 CB LYS A 98 6.736 2.761 -21.199 1.00 0.00 C ATOM 1568 CG LYS A 98 8.100 2.362 -21.704 1.00 0.00 C ATOM 1569 CD LYS A 98 9.202 2.702 -20.710 1.00 0.00 C ATOM 1570 CE LYS A 98 10.502 1.987 -21.076 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.677 2.622 -20.490 1.00 0.00 N ATOM 0 H LYS A 98 4.187 2.156 -19.728 1.00 0.00 H new ATOM 0 HA LYS A 98 6.515 0.679 -20.661 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.085 2.987 -22.043 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.817 3.672 -20.606 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.112 1.291 -21.905 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.298 2.866 -22.650 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.366 3.780 -20.696 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.893 2.414 -19.705 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.449 0.951 -20.741 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.608 1.967 -22.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.153 3.202 -21.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.385 3.227 -19.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.332 1.891 -20.146 1.00 0.00 H new ATOM 1585 N GLY A 99 6.578 0.605 -18.215 1.00 0.00 N ATOM 1586 CA GLY A 99 6.861 0.453 -16.784 1.00 0.00 C ATOM 1587 C GLY A 99 8.025 1.320 -16.312 1.00 0.00 C ATOM 1588 O GLY A 99 8.086 1.787 -15.183 1.00 0.00 O ATOM 0 H GLY A 99 6.516 -0.288 -18.704 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.969 0.710 -16.213 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.085 -0.593 -16.572 1.00 0.00 H new ATOM 1592 N ASP A 100 8.946 1.467 -17.279 1.00 0.00 N ATOM 1593 CA ASP A 100 10.135 2.300 -17.137 1.00 0.00 C ATOM 1594 C ASP A 100 10.982 1.990 -15.888 1.00 0.00 C ATOM 1595 O ASP A 100 11.142 2.798 -14.981 1.00 0.00 O ATOM 1596 CB ASP A 100 9.736 3.787 -17.188 1.00 0.00 C ATOM 1597 CG ASP A 100 10.945 4.710 -17.445 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.812 4.353 -18.242 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.011 5.779 -16.844 1.00 0.00 O ATOM 0 H ASP A 100 8.879 1.004 -18.185 1.00 0.00 H new ATOM 0 HA ASP A 100 10.784 2.061 -17.979 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.995 3.935 -17.974 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.262 4.066 -16.247 1.00 0.00 H new ATOM 1604 N GLY A 101 11.520 0.762 -15.934 1.00 0.00 N ATOM 1605 CA GLY A 101 12.398 0.302 -14.856 1.00 0.00 C ATOM 1606 C GLY A 101 11.697 -0.480 -13.740 1.00 0.00 C ATOM 1607 O GLY A 101 12.348 -1.093 -12.903 1.00 0.00 O ATOM 0 H GLY A 101 11.367 0.089 -16.685 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.177 -0.327 -15.286 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.893 1.168 -14.417 1.00 0.00 H new ATOM 1611 N LEU A 102 10.347 -0.447 -13.777 1.00 0.00 N ATOM 1612 CA LEU A 102 9.552 -1.179 -12.790 1.00 0.00 C ATOM 1613 C LEU A 102 9.636 -2.705 -13.032 1.00 0.00 C ATOM 1614 O LEU A 102 9.178 -3.491 -12.213 1.00 0.00 O ATOM 1615 CB LEU A 102 8.075 -0.742 -12.915 1.00 0.00 C ATOM 1616 CG LEU A 102 7.626 0.470 -12.070 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.145 0.307 -11.731 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.388 0.653 -10.752 1.00 0.00 C ATOM 0 H LEU A 102 9.802 0.070 -14.467 1.00 0.00 H new ATOM 0 HA LEU A 102 9.942 -0.958 -11.797 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.877 -0.516 -13.963 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.447 -1.592 -12.648 1.00 0.00 H new ATOM 0 HG LEU A 102 7.833 1.350 -12.679 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.813 1.156 -11.134 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.564 0.262 -12.652 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.000 -0.613 -11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.004 1.528 -10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.254 -0.231 -10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.449 0.792 -10.961 1.00 0.00 H new ATOM 1630 N CYS A 103 10.212 -3.058 -14.210 1.00 0.00 N ATOM 1631 CA CYS A 103 10.395 -4.426 -14.697 1.00 0.00 C ATOM 1632 C CYS A 103 9.056 -5.124 -15.015 1.00 0.00 C ATOM 1633 O CYS A 103 9.018 -6.283 -15.408 1.00 0.00 O ATOM 1634 CB CYS A 103 11.338 -5.267 -13.817 1.00 0.00 C ATOM 1635 SG CYS A 103 10.704 -5.817 -12.216 1.00 0.00 S ATOM 0 H CYS A 103 10.571 -2.361 -14.863 1.00 0.00 H new ATOM 0 HA CYS A 103 10.915 -4.339 -15.651 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.632 -6.150 -14.385 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.243 -4.686 -13.640 1.00 0.00 H new ATOM 0 HG CYS A 103 9.935 -4.897 -11.714 1.00 0.00 H new ATOM 1641 N GLN A 104 7.975 -4.338 -14.846 1.00 0.00 N ATOM 1642 CA GLN A 104 6.619 -4.773 -15.085 1.00 0.00 C ATOM 1643 C GLN A 104 5.804 -3.497 -15.247 1.00 0.00 C ATOM 1644 O GLN A 104 5.537 -2.750 -14.315 1.00 0.00 O ATOM 1645 CB GLN A 104 6.026 -5.584 -13.911 1.00 0.00 C ATOM 1646 CG GLN A 104 6.335 -7.091 -13.916 1.00 0.00 C ATOM 1647 CD GLN A 104 7.445 -7.504 -12.945 1.00 0.00 C ATOM 1648 OE1 GLN A 104 7.514 -7.055 -11.809 1.00 0.00 O ATOM 1649 NE2 GLN A 104 8.294 -8.402 -13.462 1.00 0.00 N ATOM 0 H GLN A 104 8.040 -3.369 -14.534 1.00 0.00 H new ATOM 0 HA GLN A 104 6.598 -5.427 -15.957 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.395 -5.159 -12.977 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.944 -5.454 -13.914 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.426 -7.638 -13.666 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.620 -7.389 -14.925 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.170 -8.729 -14.420 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.065 -8.759 -12.897 1.00 0.00 H new ATOM 1658 N LYS A 105 5.450 -3.335 -16.522 1.00 0.00 N ATOM 1659 CA LYS A 105 4.642 -2.256 -17.021 1.00 0.00 C ATOM 1660 C LYS A 105 3.201 -2.693 -16.801 1.00 0.00 C ATOM 1661 O LYS A 105 2.888 -3.873 -16.896 1.00 0.00 O ATOM 1662 CB LYS A 105 5.075 -2.057 -18.462 1.00 0.00 C ATOM 1663 CG LYS A 105 4.553 -3.069 -19.483 1.00 0.00 C ATOM 1664 CD LYS A 105 3.257 -2.611 -20.115 1.00 0.00 C ATOM 1665 CE LYS A 105 3.565 -1.860 -21.395 1.00 0.00 C ATOM 1666 NZ LYS A 105 3.976 -2.718 -22.507 1.00 0.00 N ATOM 0 H LYS A 105 5.737 -3.986 -17.253 1.00 0.00 H new ATOM 0 HA LYS A 105 4.748 -1.288 -16.532 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.760 -1.062 -18.777 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.164 -2.072 -18.495 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.302 -3.221 -20.260 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.399 -4.032 -18.995 1.00 0.00 H new ATOM 0 HD2 LYS A 105 2.619 -3.469 -20.327 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.709 -1.969 -19.425 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.682 -1.295 -21.693 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.355 -1.136 -21.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.875 -2.198 -23.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.969 -2.999 -22.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.376 -3.567 -22.530 1.00 0.00 H new ATOM 1680 N LEU A 106 2.355 -1.703 -16.486 1.00 0.00 N ATOM 1681 CA LEU A 106 0.980 -2.061 -16.148 1.00 0.00 C ATOM 1682 C LEU A 106 0.190 -2.625 -17.327 1.00 0.00 C ATOM 1683 O LEU A 106 0.534 -2.440 -18.487 1.00 0.00 O ATOM 1684 CB LEU A 106 0.148 -0.931 -15.523 1.00 0.00 C ATOM 1685 CG LEU A 106 0.926 0.101 -14.708 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.015 0.920 -13.823 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.933 -0.547 -13.785 1.00 0.00 C ATOM 0 H LEU A 106 2.581 -0.709 -16.459 1.00 0.00 H new ATOM 0 HA LEU A 106 1.128 -2.834 -15.394 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.380 -0.411 -16.322 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.609 -1.378 -14.879 1.00 0.00 H new ATOM 0 HG LEU A 106 1.435 0.732 -15.436 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.563 1.647 -13.253 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.740 1.442 -14.448 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.539 0.255 -13.137 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.463 0.224 -13.226 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.416 -1.209 -13.090 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.647 -1.124 -14.373 1.00 0.00 H new ATOM 1699 N THR A 107 -0.895 -3.322 -16.943 1.00 0.00 N ATOM 1700 CA THR A 107 -1.756 -3.914 -17.956 1.00 0.00 C ATOM 1701 C THR A 107 -3.215 -3.733 -17.577 1.00 0.00 C ATOM 1702 O THR A 107 -3.942 -2.970 -18.201 1.00 0.00 O ATOM 1703 CB THR A 107 -1.396 -5.406 -18.203 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.751 -6.451 -17.233 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.097 -5.483 -18.611 1.00 0.00 C ATOM 0 H THR A 107 -1.180 -3.480 -15.976 1.00 0.00 H new ATOM 0 HA THR A 107 -1.591 -3.394 -18.900 1.00 0.00 H new ATOM 0 HB THR A 107 -2.092 -5.688 -18.992 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.962 -7.000 -17.040 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.372 -6.522 -18.790 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.256 -4.904 -19.521 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.715 -5.077 -17.810 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.579 -4.472 -16.513 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.967 -4.401 -16.068 1.00 0.00 C ATOM 1715 C LEU A 108 -5.022 -4.421 -14.534 1.00 0.00 C ATOM 1716 O LEU A 108 -4.692 -5.434 -13.947 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.734 -5.629 -16.548 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.619 -5.949 -18.043 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.993 -7.407 -18.314 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.477 -4.981 -18.865 1.00 0.00 C ATOM 0 H LEU A 108 -2.967 -5.088 -15.978 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.403 -3.486 -16.469 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.386 -6.494 -15.983 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.788 -5.493 -16.306 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.582 -5.816 -18.351 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.905 -7.613 -19.381 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.322 -8.064 -17.761 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.020 -7.585 -17.994 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.384 -5.222 -19.924 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.520 -5.072 -18.562 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.138 -3.959 -18.694 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.449 -3.307 -13.893 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.564 -3.225 -12.433 1.00 0.00 C ATOM 1734 C PRO A 109 -6.476 -4.339 -11.878 1.00 0.00 C ATOM 1735 O PRO A 109 -7.696 -4.239 -11.800 1.00 0.00 O ATOM 1736 CB PRO A 109 -6.135 -1.821 -12.191 1.00 0.00 C ATOM 1737 CG PRO A 109 -5.776 -1.040 -13.454 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.766 -2.077 -14.579 1.00 0.00 C ATOM 0 HA PRO A 109 -4.614 -3.372 -11.920 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.214 -1.852 -12.037 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -5.699 -1.363 -11.303 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -6.504 -0.253 -13.651 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -4.804 -0.557 -13.355 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.731 -2.134 -15.082 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.023 -1.838 -15.340 1.00 0.00 H new ATOM 1746 N CYS A 110 -5.729 -5.392 -11.491 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.209 -6.668 -10.967 1.00 0.00 C ATOM 1748 C CYS A 110 -7.531 -7.125 -11.633 1.00 0.00 C ATOM 1749 O CYS A 110 -7.761 -6.913 -12.817 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.256 -6.639 -9.439 1.00 0.00 C ATOM 1751 SG CYS A 110 -4.834 -5.820 -8.703 1.00 0.00 S ATOM 0 H CYS A 110 -4.711 -5.363 -11.543 1.00 0.00 H new ATOM 0 HA CYS A 110 -5.491 -7.441 -11.240 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.166 -6.131 -9.119 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.313 -7.661 -9.064 1.00 0.00 H new ATOM 0 HG CYS A 110 -4.684 -4.646 -9.240 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.359 -7.772 -10.792 1.00 0.00 N ATOM 1758 CA VAL A 111 -9.669 -8.271 -11.178 1.00 0.00 C ATOM 1759 C VAL A 111 -10.675 -7.569 -10.257 1.00 0.00 C ATOM 1760 O VAL A 111 -10.711 -7.814 -9.059 1.00 0.00 O ATOM 1761 CB VAL A 111 -9.717 -9.812 -11.059 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -9.191 -10.358 -9.720 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -11.122 -10.363 -11.349 1.00 0.00 C ATOM 0 H VAL A 111 -8.124 -7.959 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.906 -8.055 -12.220 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.030 -10.171 -11.826 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.259 -11.446 -9.719 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.151 -10.060 -9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -9.790 -9.956 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.114 -11.449 -11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -11.832 -9.943 -10.637 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.419 -10.089 -12.361 1.00 0.00 H new