USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 84 THR OG1 : rot -102:sc= -4.34! USER MOD Set 1.2: A 99 SER OG : rot 68:sc= -0.213! USER MOD Set 2.1: A 82 ASN : amide:sc= -6.7! C(o=-6!,f=-11!) USER MOD Set 2.2: A 106 THR OG1 : rot -127:sc= 0.657 USER MOD Set 3.1: A 20 CYS SG : rot 175:sc= -7.84! USER MOD Set 3.2: A 42 THR OG1 : rot 63:sc= -2.67! USER MOD Set 3.3: A 46 SER OG : rot -138:sc= -2.2! USER MOD Set 4.1: A 23 SER OG : rot -59:sc= -4.62! USER MOD Set 4.2: A 45 LYS NZ :NH3+ -170:sc= -1.06! (180deg=-2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.973 X(o=-0.97,f=-1.4) USER MOD Single : A 49 THR OG1 : rot 108:sc= 0.00635 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 27:sc= 0.647 USER MOD Single : A 76 GLN : amide:sc= -0.301 K(o=-0.3,f=-4.8!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 160:sc= -9.82! (180deg=-12.7!) USER MOD Single : A 89 SER OG : rot 67:sc= 1.07 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -2.97! C(o=-3!,f=-3.5!) USER MOD Single : A 95 GLN : amide:sc= -3.74 K(o=-3.7,f=-9.9!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0.0307 USER MOD Single : A 98 SER OG : rot -112:sc= 1.01 USER MOD Single : A 101 LYS NZ :NH3+ -139:sc= -2.2! (180deg=-4.13!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 66:sc= 0.779 USER MOD Single : A 112 TYR OH : rot 180:sc= -1.21! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.765 -7.535 -0.535 1.00 0.00 N ATOM 160 CA PRO A 12 -6.396 -7.101 -0.761 1.00 0.00 C ATOM 161 C PRO A 12 -5.950 -6.174 0.376 1.00 0.00 C ATOM 162 O PRO A 12 -6.493 -6.206 1.462 1.00 0.00 O ATOM 163 CB PRO A 12 -6.464 -6.339 -2.080 1.00 0.00 C ATOM 164 CG PRO A 12 -7.933 -5.806 -2.128 1.00 0.00 C ATOM 165 CD PRO A 12 -8.789 -6.804 -1.293 1.00 0.00 C ATOM 0 HA PRO A 12 -5.684 -7.926 -0.794 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.741 -5.523 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.246 -6.988 -2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.995 -4.800 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.293 -5.750 -3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.490 -6.288 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.376 -7.467 -1.928 1.00 0.00 H new ATOM 173 N VAL A 13 -4.970 -5.346 0.133 1.00 0.00 N ATOM 174 CA VAL A 13 -4.500 -4.412 1.193 1.00 0.00 C ATOM 175 C VAL A 13 -5.006 -3.004 0.876 1.00 0.00 C ATOM 176 O VAL A 13 -4.356 -2.264 0.166 1.00 0.00 O ATOM 177 CB VAL A 13 -2.970 -4.411 1.230 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.486 -3.464 2.330 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.469 -5.827 1.520 1.00 0.00 C ATOM 0 H VAL A 13 -4.475 -5.277 -0.756 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.883 -4.731 2.163 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.583 -4.077 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.396 -3.463 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.845 -2.455 2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.872 -3.798 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.379 -5.829 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.856 -6.160 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.814 -6.502 0.737 1.00 0.00 H new ATOM 189 N PRO A 14 -6.156 -2.674 1.411 1.00 0.00 N ATOM 190 CA PRO A 14 -6.751 -1.369 1.189 1.00 0.00 C ATOM 191 C PRO A 14 -5.910 -0.302 1.884 1.00 0.00 C ATOM 192 O PRO A 14 -5.517 -0.461 3.022 1.00 0.00 O ATOM 193 CB PRO A 14 -8.142 -1.464 1.809 1.00 0.00 C ATOM 194 CG PRO A 14 -7.993 -2.600 2.863 1.00 0.00 C ATOM 195 CD PRO A 14 -6.931 -3.576 2.278 1.00 0.00 C ATOM 0 HA PRO A 14 -6.802 -1.097 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.440 -0.523 2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.899 -1.706 1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.672 -2.202 3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.943 -3.108 3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.315 -4.028 3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.387 -4.392 1.718 1.00 0.00 H new ATOM 203 N LEU A 15 -5.613 0.783 1.217 1.00 0.00 N ATOM 204 CA LEU A 15 -4.785 1.831 1.874 1.00 0.00 C ATOM 205 C LEU A 15 -5.560 3.154 1.993 1.00 0.00 C ATOM 206 O LEU A 15 -5.060 4.193 1.615 1.00 0.00 O ATOM 207 CB LEU A 15 -3.501 2.043 1.073 1.00 0.00 C ATOM 208 CG LEU A 15 -2.724 0.725 1.029 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.142 0.508 -0.368 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.587 0.773 2.050 1.00 0.00 C ATOM 0 H LEU A 15 -5.904 0.985 0.260 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.536 1.497 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.737 2.376 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.894 2.824 1.532 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.399 -0.097 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.591 -0.432 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.951 0.472 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.469 1.329 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.032 -0.165 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.917 1.599 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.000 0.919 3.048 1.00 0.00 H new ATOM 222 N PRO A 16 -6.746 3.073 2.557 1.00 0.00 N ATOM 223 CA PRO A 16 -7.587 4.232 2.794 1.00 0.00 C ATOM 224 C PRO A 16 -6.745 5.465 3.143 1.00 0.00 C ATOM 225 O PRO A 16 -7.143 6.584 2.886 1.00 0.00 O ATOM 226 CB PRO A 16 -8.467 3.815 3.962 1.00 0.00 C ATOM 227 CG PRO A 16 -8.551 2.256 3.837 1.00 0.00 C ATOM 228 CD PRO A 16 -7.327 1.800 2.982 1.00 0.00 C ATOM 0 HA PRO A 16 -8.167 4.515 1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.033 4.116 4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.454 4.274 3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.529 1.788 4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.486 1.957 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.623 1.207 3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.631 1.189 2.132 1.00 0.00 H new ATOM 236 N GLU A 17 -5.579 5.280 3.707 1.00 0.00 N ATOM 237 CA GLU A 17 -4.721 6.454 4.042 1.00 0.00 C ATOM 238 C GLU A 17 -3.961 6.912 2.785 1.00 0.00 C ATOM 239 O GLU A 17 -2.882 7.463 2.868 1.00 0.00 O ATOM 240 CB GLU A 17 -3.718 6.059 5.128 1.00 0.00 C ATOM 241 CG GLU A 17 -3.910 6.958 6.352 1.00 0.00 C ATOM 242 CD GLU A 17 -4.436 6.123 7.521 1.00 0.00 C ATOM 243 OE1 GLU A 17 -3.796 5.140 7.856 1.00 0.00 O ATOM 244 OE2 GLU A 17 -5.470 6.481 8.061 1.00 0.00 O ATOM 0 H GLU A 17 -5.186 4.370 3.949 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.348 7.269 4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.859 5.014 5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.700 6.154 4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.965 7.428 6.623 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.610 7.761 6.121 1.00 0.00 H new ATOM 251 N LEU A 18 -4.523 6.692 1.625 1.00 0.00 N ATOM 252 CA LEU A 18 -3.858 7.109 0.361 1.00 0.00 C ATOM 253 C LEU A 18 -4.948 7.523 -0.633 1.00 0.00 C ATOM 254 O LEU A 18 -5.329 6.752 -1.491 1.00 0.00 O ATOM 255 CB LEU A 18 -3.059 5.935 -0.208 1.00 0.00 C ATOM 256 CG LEU A 18 -1.581 6.108 0.140 1.00 0.00 C ATOM 257 CD1 LEU A 18 -0.763 5.009 -0.539 1.00 0.00 C ATOM 258 CD2 LEU A 18 -1.104 7.474 -0.352 1.00 0.00 C ATOM 0 H LEU A 18 -5.426 6.235 1.501 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.178 7.941 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.432 4.996 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.186 5.885 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.451 6.041 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.291 5.133 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.105 4.034 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.891 5.075 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.050 7.602 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.235 7.538 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.687 8.258 0.131 1.00 0.00 H new ATOM 270 N PRO A 19 -5.437 8.726 -0.464 1.00 0.00 N ATOM 271 CA PRO A 19 -6.500 9.259 -1.303 1.00 0.00 C ATOM 272 C PRO A 19 -6.216 9.023 -2.790 1.00 0.00 C ATOM 273 O PRO A 19 -5.134 9.281 -3.281 1.00 0.00 O ATOM 274 CB PRO A 19 -6.522 10.748 -0.990 1.00 0.00 C ATOM 275 CG PRO A 19 -5.947 10.824 0.460 1.00 0.00 C ATOM 276 CD PRO A 19 -4.948 9.639 0.582 1.00 0.00 C ATOM 0 HA PRO A 19 -7.455 8.773 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.913 11.315 -1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.532 11.155 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.447 11.777 0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.742 10.743 1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.919 9.951 0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.976 9.181 1.571 1.00 0.00 H new ATOM 284 N CYS A 20 -7.195 8.543 -3.507 1.00 0.00 N ATOM 285 CA CYS A 20 -7.018 8.290 -4.964 1.00 0.00 C ATOM 286 C CYS A 20 -7.025 9.626 -5.714 1.00 0.00 C ATOM 287 O CYS A 20 -6.580 10.636 -5.205 1.00 0.00 O ATOM 288 CB CYS A 20 -8.174 7.424 -5.467 1.00 0.00 C ATOM 289 SG CYS A 20 -9.669 8.436 -5.604 1.00 0.00 S ATOM 0 H CYS A 20 -8.119 8.313 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.071 7.778 -5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.924 6.992 -6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.345 6.593 -4.782 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.625 7.729 -6.130 1.00 0.00 H new ATOM 295 N GLU A 21 -7.532 9.640 -6.918 1.00 0.00 N ATOM 296 CA GLU A 21 -7.573 10.911 -7.695 1.00 0.00 C ATOM 297 C GLU A 21 -8.230 12.000 -6.845 1.00 0.00 C ATOM 298 O GLU A 21 -7.590 12.943 -6.423 1.00 0.00 O ATOM 299 CB GLU A 21 -8.388 10.700 -8.974 1.00 0.00 C ATOM 300 CG GLU A 21 -7.449 10.696 -10.183 1.00 0.00 C ATOM 301 CD GLU A 21 -8.269 10.839 -11.466 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.399 11.288 -11.377 1.00 0.00 O ATOM 303 OE2 GLU A 21 -7.751 10.498 -12.517 1.00 0.00 O ATOM 0 H GLU A 21 -7.919 8.826 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.559 11.214 -7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.932 9.757 -8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.131 11.491 -9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.733 11.514 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.874 9.770 -10.207 1.00 0.00 H new ATOM 310 N LYS A 22 -9.504 11.873 -6.589 1.00 0.00 N ATOM 311 CA LYS A 22 -10.209 12.896 -5.766 1.00 0.00 C ATOM 312 C LYS A 22 -11.694 12.545 -5.693 1.00 0.00 C ATOM 313 O LYS A 22 -12.549 13.409 -5.731 1.00 0.00 O ATOM 314 CB LYS A 22 -10.041 14.275 -6.407 1.00 0.00 C ATOM 315 CG LYS A 22 -10.721 15.329 -5.531 1.00 0.00 C ATOM 316 CD LYS A 22 -9.656 16.198 -4.859 1.00 0.00 C ATOM 317 CE LYS A 22 -9.768 16.060 -3.339 1.00 0.00 C ATOM 318 NZ LYS A 22 -10.769 17.035 -2.824 1.00 0.00 N ATOM 0 H LYS A 22 -10.088 11.103 -6.915 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.786 12.912 -4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.982 14.509 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.478 14.280 -7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.382 15.949 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.340 14.845 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.663 15.895 -5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.785 17.240 -5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.065 15.045 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.798 16.239 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.845 16.941 -1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.467 18.001 -3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.695 16.844 -3.258 1.00 0.00 H new ATOM 332 N SER A 23 -12.013 11.284 -5.595 1.00 0.00 N ATOM 333 CA SER A 23 -13.446 10.881 -5.526 1.00 0.00 C ATOM 334 C SER A 23 -13.738 10.247 -4.166 1.00 0.00 C ATOM 335 O SER A 23 -14.693 9.512 -4.008 1.00 0.00 O ATOM 336 CB SER A 23 -13.741 9.868 -6.632 1.00 0.00 C ATOM 337 OG SER A 23 -14.998 10.172 -7.221 1.00 0.00 O ATOM 0 H SER A 23 -11.344 10.515 -5.560 1.00 0.00 H new ATOM 0 HA SER A 23 -14.076 11.761 -5.657 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.956 9.897 -7.387 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.752 8.858 -6.223 1.00 0.00 H new ATOM 0 HG SER A 23 -15.696 10.146 -6.534 1.00 0.00 H new ATOM 343 N ASP A 24 -12.915 10.515 -3.187 1.00 0.00 N ATOM 344 CA ASP A 24 -13.133 9.923 -1.839 1.00 0.00 C ATOM 345 C ASP A 24 -12.620 8.486 -1.848 1.00 0.00 C ATOM 346 O ASP A 24 -12.925 7.699 -0.976 1.00 0.00 O ATOM 347 CB ASP A 24 -14.625 9.937 -1.497 1.00 0.00 C ATOM 348 CG ASP A 24 -15.254 11.236 -2.004 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.858 12.288 -1.530 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.120 11.157 -2.860 1.00 0.00 O ATOM 0 H ASP A 24 -12.098 11.121 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.597 10.505 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.121 9.079 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.762 9.851 -0.419 1.00 0.00 H new ATOM 355 N ALA A 25 -11.839 8.141 -2.836 1.00 0.00 N ATOM 356 CA ALA A 25 -11.301 6.760 -2.908 1.00 0.00 C ATOM 357 C ALA A 25 -9.921 6.720 -2.255 1.00 0.00 C ATOM 358 O ALA A 25 -9.464 7.691 -1.685 1.00 0.00 O ATOM 359 CB ALA A 25 -11.185 6.332 -4.373 1.00 0.00 C ATOM 0 H ALA A 25 -11.552 8.759 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.973 6.080 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.790 5.318 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.169 6.363 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.513 7.011 -4.898 1.00 0.00 H new ATOM 365 N TYR A 26 -9.251 5.607 -2.337 1.00 0.00 N ATOM 366 CA TYR A 26 -7.896 5.507 -1.730 1.00 0.00 C ATOM 367 C TYR A 26 -7.052 4.538 -2.558 1.00 0.00 C ATOM 368 O TYR A 26 -7.391 4.217 -3.678 1.00 0.00 O ATOM 369 CB TYR A 26 -8.004 5.007 -0.287 1.00 0.00 C ATOM 370 CG TYR A 26 -9.233 4.146 -0.114 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.324 2.910 -0.763 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.276 4.579 0.715 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.460 2.108 -0.586 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.408 3.776 0.894 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.500 2.540 0.244 1.00 0.00 C ATOM 376 OH TYR A 26 -12.616 1.749 0.421 1.00 0.00 O ATOM 0 H TYR A 26 -9.583 4.760 -2.799 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.424 6.490 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.113 4.435 -0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.049 5.856 0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.519 2.574 -1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.206 5.533 1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.532 1.156 -1.091 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.211 4.110 1.534 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.241 2.197 1.028 1.00 0.00 H new ATOM 386 N PHE A 27 -5.949 4.079 -2.037 1.00 0.00 N ATOM 387 CA PHE A 27 -5.098 3.148 -2.830 1.00 0.00 C ATOM 388 C PHE A 27 -5.228 1.712 -2.314 1.00 0.00 C ATOM 389 O PHE A 27 -4.431 1.245 -1.527 1.00 0.00 O ATOM 390 CB PHE A 27 -3.640 3.597 -2.745 1.00 0.00 C ATOM 391 CG PHE A 27 -3.330 4.480 -3.928 1.00 0.00 C ATOM 392 CD1 PHE A 27 -4.338 5.277 -4.486 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.041 4.499 -4.472 1.00 0.00 C ATOM 394 CE1 PHE A 27 -4.057 6.093 -5.585 1.00 0.00 C ATOM 395 CE2 PHE A 27 -1.759 5.317 -5.573 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.769 6.113 -6.128 1.00 0.00 C ATOM 0 H PHE A 27 -5.602 4.305 -1.105 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.432 3.169 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.466 4.138 -1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.979 2.731 -2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.333 5.261 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.264 3.883 -4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.834 6.708 -6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.764 5.334 -5.994 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.552 6.744 -6.977 1.00 0.00 H new ATOM 406 N VAL A 28 -6.221 1.002 -2.765 1.00 0.00 N ATOM 407 CA VAL A 28 -6.389 -0.406 -2.319 1.00 0.00 C ATOM 408 C VAL A 28 -5.374 -1.285 -3.055 1.00 0.00 C ATOM 409 O VAL A 28 -5.617 -1.750 -4.151 1.00 0.00 O ATOM 410 CB VAL A 28 -7.813 -0.879 -2.631 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.884 -2.409 -2.582 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.777 -0.296 -1.599 1.00 0.00 C ATOM 0 H VAL A 28 -6.924 1.336 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.222 -0.476 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.089 -0.541 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.900 -2.733 -2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.199 -2.829 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.603 -2.755 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.791 -0.631 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.491 -0.633 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.738 0.793 -1.639 1.00 0.00 H new ATOM 422 N LEU A 29 -4.236 -1.512 -2.459 1.00 0.00 N ATOM 423 CA LEU A 29 -3.201 -2.357 -3.120 1.00 0.00 C ATOM 424 C LEU A 29 -3.830 -3.673 -3.578 1.00 0.00 C ATOM 425 O LEU A 29 -4.018 -4.586 -2.800 1.00 0.00 O ATOM 426 CB LEU A 29 -2.065 -2.643 -2.132 1.00 0.00 C ATOM 427 CG LEU A 29 -1.190 -3.786 -2.661 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.256 -3.307 -2.792 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.247 -4.964 -1.685 1.00 0.00 C ATOM 0 H LEU A 29 -3.978 -1.148 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.801 -1.829 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.461 -1.747 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.476 -2.909 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.558 -4.101 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.876 -4.121 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.300 -2.467 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.625 -2.991 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.626 -5.777 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.879 -4.646 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.277 -5.308 -1.590 1.00 0.00 H new ATOM 441 N ARG A 30 -4.145 -3.781 -4.838 1.00 0.00 N ATOM 442 CA ARG A 30 -4.748 -5.043 -5.347 1.00 0.00 C ATOM 443 C ARG A 30 -3.641 -5.925 -5.924 1.00 0.00 C ATOM 444 O ARG A 30 -2.470 -5.633 -5.787 1.00 0.00 O ATOM 445 CB ARG A 30 -5.769 -4.719 -6.440 1.00 0.00 C ATOM 446 CG ARG A 30 -7.130 -4.437 -5.799 1.00 0.00 C ATOM 447 CD ARG A 30 -8.241 -4.977 -6.702 1.00 0.00 C ATOM 448 NE ARG A 30 -9.170 -3.870 -7.064 1.00 0.00 N ATOM 449 CZ ARG A 30 -9.276 -3.488 -8.308 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.453 -4.374 -9.250 1.00 0.00 N ATOM 451 NH2 ARG A 30 -9.206 -2.220 -8.609 1.00 0.00 N ATOM 0 H ARG A 30 -4.011 -3.050 -5.537 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.250 -5.567 -4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.440 -3.854 -7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.849 -5.553 -7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.185 -4.906 -4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.258 -3.365 -5.648 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.811 -5.415 -7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.786 -5.771 -6.191 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.723 -3.411 -6.340 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.509 -5.365 -9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.536 -4.076 -10.222 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.069 -1.528 -7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.289 -1.921 -9.581 1.00 0.00 H new ATOM 465 N ASP A 31 -3.996 -7.002 -6.567 1.00 0.00 N ATOM 466 CA ASP A 31 -2.953 -7.893 -7.147 1.00 0.00 C ATOM 467 C ASP A 31 -3.287 -8.185 -8.613 1.00 0.00 C ATOM 468 O ASP A 31 -4.053 -9.077 -8.920 1.00 0.00 O ATOM 469 CB ASP A 31 -2.906 -9.205 -6.359 1.00 0.00 C ATOM 470 CG ASP A 31 -4.237 -9.942 -6.509 1.00 0.00 C ATOM 471 OD1 ASP A 31 -5.186 -9.551 -5.848 1.00 0.00 O ATOM 472 OD2 ASP A 31 -4.286 -10.885 -7.281 1.00 0.00 O ATOM 0 H ASP A 31 -4.959 -7.303 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.982 -7.402 -7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.090 -9.830 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.708 -9.002 -5.307 1.00 0.00 H new ATOM 477 N GLY A 32 -2.718 -7.440 -9.519 1.00 0.00 N ATOM 478 CA GLY A 32 -3.002 -7.673 -10.963 1.00 0.00 C ATOM 479 C GLY A 32 -2.427 -9.026 -11.384 1.00 0.00 C ATOM 480 O GLY A 32 -1.858 -9.745 -10.586 1.00 0.00 O ATOM 0 H GLY A 32 -2.068 -6.679 -9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.077 -7.651 -11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.563 -6.877 -11.564 1.00 0.00 H new ATOM 484 N ALA A 33 -2.570 -9.381 -12.633 1.00 0.00 N ATOM 485 CA ALA A 33 -2.031 -10.688 -13.102 1.00 0.00 C ATOM 486 C ALA A 33 -0.552 -10.531 -13.463 1.00 0.00 C ATOM 487 O ALA A 33 0.061 -11.426 -14.012 1.00 0.00 O ATOM 488 CB ALA A 33 -2.811 -11.146 -14.336 1.00 0.00 C ATOM 0 H ALA A 33 -3.037 -8.822 -13.347 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.134 -11.429 -12.310 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.418 -12.102 -14.681 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.865 -11.258 -14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.707 -10.404 -15.128 1.00 0.00 H new ATOM 494 N ALA A 34 0.027 -9.402 -13.156 1.00 0.00 N ATOM 495 CA ALA A 34 1.466 -9.192 -13.482 1.00 0.00 C ATOM 496 C ALA A 34 2.230 -8.820 -12.209 1.00 0.00 C ATOM 497 O ALA A 34 3.442 -8.733 -12.205 1.00 0.00 O ATOM 498 CB ALA A 34 1.596 -8.060 -14.503 1.00 0.00 C ATOM 0 H ALA A 34 -0.433 -8.618 -12.694 1.00 0.00 H new ATOM 0 HA ALA A 34 1.881 -10.109 -13.899 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.648 -7.905 -14.743 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.052 -8.324 -15.410 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.180 -7.143 -14.085 1.00 0.00 H new ATOM 504 N GLY A 35 1.531 -8.600 -11.129 1.00 0.00 N ATOM 505 CA GLY A 35 2.220 -8.234 -9.858 1.00 0.00 C ATOM 506 C GLY A 35 1.300 -7.351 -9.014 1.00 0.00 C ATOM 507 O GLY A 35 0.319 -6.820 -9.497 1.00 0.00 O ATOM 0 H GLY A 35 0.514 -8.658 -11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.486 -9.134 -9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.149 -7.707 -10.075 1.00 0.00 H new ATOM 511 N VAL A 36 1.606 -7.190 -7.756 1.00 0.00 N ATOM 512 CA VAL A 36 0.747 -6.341 -6.883 1.00 0.00 C ATOM 513 C VAL A 36 0.856 -4.881 -7.327 1.00 0.00 C ATOM 514 O VAL A 36 1.737 -4.514 -8.079 1.00 0.00 O ATOM 515 CB VAL A 36 1.209 -6.468 -5.431 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.706 -6.166 -5.344 1.00 0.00 C ATOM 517 CG2 VAL A 36 0.439 -5.475 -4.563 1.00 0.00 C ATOM 0 H VAL A 36 2.413 -7.609 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.289 -6.670 -6.963 1.00 0.00 H new ATOM 0 HB VAL A 36 1.021 -7.482 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.036 -6.256 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.257 -6.874 -5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.894 -5.152 -5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.768 -5.565 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.627 -4.461 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.628 -5.689 -4.625 1.00 0.00 H new ATOM 527 N PHE A 37 -0.034 -4.044 -6.867 1.00 0.00 N ATOM 528 CA PHE A 37 0.018 -2.608 -7.263 1.00 0.00 C ATOM 529 C PHE A 37 -0.994 -1.815 -6.433 1.00 0.00 C ATOM 530 O PHE A 37 -1.818 -2.380 -5.740 1.00 0.00 O ATOM 531 CB PHE A 37 -0.314 -2.480 -8.754 1.00 0.00 C ATOM 532 CG PHE A 37 -1.797 -2.676 -8.967 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.437 -3.819 -8.469 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.533 -1.713 -9.665 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.811 -3.994 -8.668 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.908 -1.889 -9.864 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.546 -3.029 -9.365 1.00 0.00 C ATOM 0 H PHE A 37 -0.794 -4.293 -6.234 1.00 0.00 H new ATOM 0 HA PHE A 37 1.017 -2.212 -7.083 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.011 -1.499 -9.120 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.246 -3.220 -9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.870 -4.565 -7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.040 -0.833 -10.051 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.304 -4.874 -8.283 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.475 -1.145 -10.403 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.607 -3.165 -9.518 1.00 0.00 H new ATOM 547 N LEU A 38 -0.941 -0.511 -6.492 1.00 0.00 N ATOM 548 CA LEU A 38 -1.900 0.310 -5.698 1.00 0.00 C ATOM 549 C LEU A 38 -2.916 0.970 -6.633 1.00 0.00 C ATOM 550 O LEU A 38 -2.678 2.033 -7.169 1.00 0.00 O ATOM 551 CB LEU A 38 -1.137 1.398 -4.939 1.00 0.00 C ATOM 552 CG LEU A 38 0.169 0.824 -4.392 1.00 0.00 C ATOM 553 CD1 LEU A 38 1.011 1.954 -3.795 1.00 0.00 C ATOM 554 CD2 LEU A 38 -0.143 -0.206 -3.304 1.00 0.00 C ATOM 0 H LEU A 38 -0.276 0.020 -7.055 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.421 -0.336 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.927 2.238 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.748 1.781 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 38 0.722 0.345 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.943 1.546 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.233 2.690 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.458 2.432 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.788 -0.616 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.695 0.274 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.745 -1.011 -3.727 1.00 0.00 H new ATOM 566 N ALA A 39 -4.051 0.354 -6.826 1.00 0.00 N ATOM 567 CA ALA A 39 -5.078 0.958 -7.720 1.00 0.00 C ATOM 568 C ALA A 39 -6.087 1.739 -6.877 1.00 0.00 C ATOM 569 O ALA A 39 -6.343 1.413 -5.730 1.00 0.00 O ATOM 570 CB ALA A 39 -5.809 -0.143 -8.490 1.00 0.00 C ATOM 0 H ALA A 39 -4.310 -0.538 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.589 1.628 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.559 0.305 -9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.093 -0.703 -9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.297 -0.817 -7.786 1.00 0.00 H new ATOM 576 N ALA A 40 -6.668 2.764 -7.435 1.00 0.00 N ATOM 577 CA ALA A 40 -7.663 3.556 -6.666 1.00 0.00 C ATOM 578 C ALA A 40 -8.893 2.685 -6.411 1.00 0.00 C ATOM 579 O ALA A 40 -9.334 1.950 -7.273 1.00 0.00 O ATOM 580 CB ALA A 40 -8.063 4.798 -7.463 1.00 0.00 C ATOM 0 H ALA A 40 -6.497 3.086 -8.388 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.231 3.872 -5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.793 5.375 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.181 5.411 -7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.501 4.495 -8.414 1.00 0.00 H new ATOM 586 N ASN A 41 -9.445 2.753 -5.234 1.00 0.00 N ATOM 587 CA ASN A 41 -10.640 1.920 -4.924 1.00 0.00 C ATOM 588 C ASN A 41 -11.847 2.432 -5.713 1.00 0.00 C ATOM 589 O ASN A 41 -12.909 1.841 -5.692 1.00 0.00 O ATOM 590 CB ASN A 41 -10.934 1.989 -3.424 1.00 0.00 C ATOM 591 CG ASN A 41 -12.326 1.419 -3.144 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.291 2.151 -3.066 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.470 0.131 -2.988 1.00 0.00 N ATOM 0 H ASN A 41 -9.121 3.349 -4.472 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.443 0.886 -5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.182 1.427 -2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.877 3.022 -3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.393 -0.260 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.659 -0.484 -3.054 1.00 0.00 H new ATOM 600 N THR A 42 -11.697 3.523 -6.413 1.00 0.00 N ATOM 601 CA THR A 42 -12.841 4.060 -7.204 1.00 0.00 C ATOM 602 C THR A 42 -12.620 3.769 -8.690 1.00 0.00 C ATOM 603 O THR A 42 -13.373 4.213 -9.530 1.00 0.00 O ATOM 604 CB THR A 42 -12.951 5.572 -6.988 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.648 6.132 -6.896 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.722 5.850 -5.696 1.00 0.00 C ATOM 0 H THR A 42 -10.835 4.065 -6.472 1.00 0.00 H new ATOM 0 HA THR A 42 -13.763 3.580 -6.875 1.00 0.00 H new ATOM 0 HB THR A 42 -13.481 6.022 -7.828 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.175 6.001 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.800 6.926 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.721 5.421 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.195 5.401 -4.854 1.00 0.00 H new ATOM 614 N PHE A 43 -11.594 3.020 -9.014 1.00 0.00 N ATOM 615 CA PHE A 43 -11.311 2.683 -10.443 1.00 0.00 C ATOM 616 C PHE A 43 -12.631 2.435 -11.186 1.00 0.00 C ATOM 617 O PHE A 43 -13.545 1.861 -10.629 1.00 0.00 O ATOM 618 CB PHE A 43 -10.458 1.409 -10.482 1.00 0.00 C ATOM 619 CG PHE A 43 -10.101 1.073 -11.910 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.065 0.525 -12.763 1.00 0.00 C ATOM 621 CD2 PHE A 43 -8.804 1.309 -12.380 1.00 0.00 C ATOM 622 CE1 PHE A 43 -10.733 0.215 -14.088 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.471 1.000 -13.704 1.00 0.00 C ATOM 624 CZ PHE A 43 -9.436 0.452 -14.558 1.00 0.00 C ATOM 0 H PHE A 43 -10.935 2.625 -8.343 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.782 3.506 -10.922 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.551 1.550 -9.895 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.004 0.581 -10.030 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.065 0.341 -12.400 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.059 1.730 -11.721 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.478 -0.207 -14.747 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.470 1.184 -14.067 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.180 0.212 -15.579 1.00 0.00 H new ATOM 634 N PRO A 44 -12.695 2.867 -12.424 1.00 0.00 N ATOM 635 CA PRO A 44 -11.597 3.557 -13.094 1.00 0.00 C ATOM 636 C PRO A 44 -11.515 5.020 -12.647 1.00 0.00 C ATOM 637 O PRO A 44 -10.650 5.754 -13.078 1.00 0.00 O ATOM 638 CB PRO A 44 -11.956 3.484 -14.572 1.00 0.00 C ATOM 639 CG PRO A 44 -13.515 3.400 -14.564 1.00 0.00 C ATOM 640 CD PRO A 44 -13.898 2.669 -13.245 1.00 0.00 C ATOM 0 HA PRO A 44 -10.630 3.108 -12.867 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.604 4.361 -15.114 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.509 2.613 -15.051 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.960 4.394 -14.602 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.881 2.854 -15.433 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.784 3.102 -12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.109 1.613 -13.411 1.00 0.00 H new ATOM 648 N LYS A 45 -12.417 5.443 -11.797 1.00 0.00 N ATOM 649 CA LYS A 45 -12.413 6.857 -11.314 1.00 0.00 C ATOM 650 C LYS A 45 -10.978 7.372 -11.196 1.00 0.00 C ATOM 651 O LYS A 45 -10.705 8.533 -11.425 1.00 0.00 O ATOM 652 CB LYS A 45 -13.081 6.915 -9.944 1.00 0.00 C ATOM 653 CG LYS A 45 -13.546 8.342 -9.676 1.00 0.00 C ATOM 654 CD LYS A 45 -15.000 8.327 -9.199 1.00 0.00 C ATOM 655 CE LYS A 45 -15.712 9.597 -9.670 1.00 0.00 C ATOM 656 NZ LYS A 45 -14.733 10.719 -9.758 1.00 0.00 N ATOM 0 H LYS A 45 -13.163 4.863 -11.414 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.956 7.480 -12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.929 6.231 -9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.382 6.596 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.910 8.807 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.456 8.941 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.511 7.447 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.035 8.261 -8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.174 9.427 -10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.513 9.854 -8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.242 11.613 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.191 10.777 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.082 10.550 -10.551 1.00 0.00 H new ATOM 670 N SER A 46 -10.061 6.515 -10.848 1.00 0.00 N ATOM 671 CA SER A 46 -8.644 6.953 -10.725 1.00 0.00 C ATOM 672 C SER A 46 -7.739 5.902 -11.367 1.00 0.00 C ATOM 673 O SER A 46 -7.716 4.758 -10.961 1.00 0.00 O ATOM 674 CB SER A 46 -8.282 7.106 -9.248 1.00 0.00 C ATOM 675 OG SER A 46 -9.405 6.760 -8.450 1.00 0.00 O ATOM 0 H SER A 46 -10.231 5.530 -10.643 1.00 0.00 H new ATOM 0 HA SER A 46 -8.510 7.910 -11.228 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.435 6.466 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.977 8.132 -9.041 1.00 0.00 H new ATOM 0 HG SER A 46 -9.495 7.403 -7.716 1.00 0.00 H new ATOM 681 N ARG A 47 -6.994 6.279 -12.368 1.00 0.00 N ATOM 682 CA ARG A 47 -6.092 5.297 -13.031 1.00 0.00 C ATOM 683 C ARG A 47 -4.737 5.305 -12.327 1.00 0.00 C ATOM 684 O ARG A 47 -3.736 4.892 -12.879 1.00 0.00 O ATOM 685 CB ARG A 47 -5.909 5.680 -14.501 1.00 0.00 C ATOM 686 CG ARG A 47 -6.534 4.602 -15.388 1.00 0.00 C ATOM 687 CD ARG A 47 -6.583 5.096 -16.834 1.00 0.00 C ATOM 688 NE ARG A 47 -5.218 5.032 -17.428 1.00 0.00 N ATOM 689 CZ ARG A 47 -4.513 3.939 -17.327 1.00 0.00 C ATOM 690 NH1 ARG A 47 -5.008 2.803 -17.735 1.00 0.00 N ATOM 691 NH2 ARG A 47 -3.312 3.981 -16.817 1.00 0.00 N ATOM 0 H ARG A 47 -6.971 7.222 -12.755 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.529 4.300 -12.972 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.377 6.645 -14.698 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.849 5.787 -14.731 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.952 3.683 -15.326 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.539 4.367 -15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.273 4.484 -17.415 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.958 6.119 -16.867 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.835 5.843 -17.914 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.946 2.769 -18.133 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.457 1.949 -17.656 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.924 4.869 -16.497 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.761 3.126 -16.738 1.00 0.00 H new ATOM 705 N GLU A 48 -4.697 5.770 -11.108 1.00 0.00 N ATOM 706 CA GLU A 48 -3.408 5.800 -10.365 1.00 0.00 C ATOM 707 C GLU A 48 -3.086 4.393 -9.862 1.00 0.00 C ATOM 708 O GLU A 48 -3.306 4.067 -8.713 1.00 0.00 O ATOM 709 CB GLU A 48 -3.525 6.756 -9.176 1.00 0.00 C ATOM 710 CG GLU A 48 -4.257 8.027 -9.612 1.00 0.00 C ATOM 711 CD GLU A 48 -4.300 9.016 -8.446 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.603 8.591 -7.344 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.028 10.184 -8.676 1.00 0.00 O ATOM 0 H GLU A 48 -5.502 6.130 -10.596 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.612 6.144 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.065 6.275 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.534 7.006 -8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.750 8.477 -10.466 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.270 7.784 -9.934 1.00 0.00 H new ATOM 720 N THR A 49 -2.572 3.552 -10.717 1.00 0.00 N ATOM 721 CA THR A 49 -2.244 2.164 -10.289 1.00 0.00 C ATOM 722 C THR A 49 -0.876 1.765 -10.847 1.00 0.00 C ATOM 723 O THR A 49 -0.557 2.036 -11.988 1.00 0.00 O ATOM 724 CB THR A 49 -3.312 1.197 -10.814 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.893 0.666 -12.064 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.642 1.933 -10.990 1.00 0.00 C ATOM 0 H THR A 49 -2.365 3.766 -11.693 1.00 0.00 H new ATOM 0 HA THR A 49 -2.219 2.119 -9.200 1.00 0.00 H new ATOM 0 HB THR A 49 -3.446 0.386 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.642 -0.275 -11.952 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.395 1.239 -11.363 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.964 2.337 -10.030 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.515 2.748 -11.702 1.00 0.00 H new ATOM 734 N ARG A 50 -0.067 1.123 -10.050 1.00 0.00 N ATOM 735 CA ARG A 50 1.281 0.704 -10.528 1.00 0.00 C ATOM 736 C ARG A 50 2.161 0.360 -9.324 1.00 0.00 C ATOM 737 O ARG A 50 1.804 0.615 -8.191 1.00 0.00 O ATOM 738 CB ARG A 50 1.921 1.848 -11.318 1.00 0.00 C ATOM 739 CG ARG A 50 2.025 1.453 -12.792 1.00 0.00 C ATOM 740 CD ARG A 50 2.735 2.564 -13.570 1.00 0.00 C ATOM 741 NE ARG A 50 4.209 2.365 -13.486 1.00 0.00 N ATOM 742 CZ ARG A 50 4.965 2.640 -14.514 1.00 0.00 C ATOM 743 NH1 ARG A 50 4.961 1.853 -15.555 1.00 0.00 N ATOM 744 NH2 ARG A 50 5.724 3.701 -14.502 1.00 0.00 N ATOM 0 H ARG A 50 -0.282 0.870 -9.086 1.00 0.00 H new ATOM 0 HA ARG A 50 1.185 -0.171 -11.171 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.324 2.754 -11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.911 2.071 -10.919 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.575 0.517 -12.891 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.031 1.284 -13.205 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.415 2.555 -14.612 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.465 3.538 -13.162 1.00 0.00 H new ATOM 0 HE ARG A 50 4.628 2.014 -12.625 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.367 1.024 -15.565 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.551 2.067 -16.359 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.727 4.317 -13.689 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.314 3.915 -15.306 1.00 0.00 H new ATOM 758 N ALA A 51 3.308 -0.218 -9.557 1.00 0.00 N ATOM 759 CA ALA A 51 4.201 -0.576 -8.421 1.00 0.00 C ATOM 760 C ALA A 51 4.271 0.601 -7.441 1.00 0.00 C ATOM 761 O ALA A 51 4.206 1.744 -7.847 1.00 0.00 O ATOM 762 CB ALA A 51 5.599 -0.888 -8.947 1.00 0.00 C ATOM 0 H ALA A 51 3.664 -0.457 -10.483 1.00 0.00 H new ATOM 0 HA ALA A 51 3.806 -1.454 -7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.251 -1.150 -8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.547 -1.724 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.999 -0.013 -9.459 1.00 0.00 H new ATOM 768 N PRO A 52 4.380 0.284 -6.175 1.00 0.00 N ATOM 769 CA PRO A 52 4.435 1.291 -5.130 1.00 0.00 C ATOM 770 C PRO A 52 5.864 1.810 -4.926 1.00 0.00 C ATOM 771 O PRO A 52 6.817 1.056 -4.934 1.00 0.00 O ATOM 772 CB PRO A 52 3.981 0.545 -3.884 1.00 0.00 C ATOM 773 CG PRO A 52 4.416 -0.933 -4.157 1.00 0.00 C ATOM 774 CD PRO A 52 4.445 -1.109 -5.706 1.00 0.00 C ATOM 0 HA PRO A 52 3.823 2.161 -5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.453 0.942 -2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.904 0.625 -3.740 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.397 -1.134 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.717 -1.633 -3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.352 -1.611 -6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.602 -1.700 -6.065 1.00 0.00 H new ATOM 782 N LEU A 53 6.014 3.089 -4.707 1.00 0.00 N ATOM 783 CA LEU A 53 7.370 3.652 -4.458 1.00 0.00 C ATOM 784 C LEU A 53 8.031 2.829 -3.349 1.00 0.00 C ATOM 785 O LEU A 53 7.370 2.366 -2.440 1.00 0.00 O ATOM 786 CB LEU A 53 7.235 5.102 -4.003 1.00 0.00 C ATOM 787 CG LEU A 53 8.236 5.964 -4.769 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.624 5.334 -4.692 1.00 0.00 C ATOM 789 CD2 LEU A 53 7.811 6.071 -6.234 1.00 0.00 C ATOM 0 H LEU A 53 5.253 3.768 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 53 7.972 3.615 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.220 5.458 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.417 5.178 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 53 8.262 6.959 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.335 5.952 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.934 5.262 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.596 4.337 -5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.528 6.687 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.779 5.076 -6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.823 6.527 -6.294 1.00 0.00 H new ATOM 801 N VAL A 54 9.319 2.636 -3.403 1.00 0.00 N ATOM 802 CA VAL A 54 9.984 1.836 -2.340 1.00 0.00 C ATOM 803 C VAL A 54 9.771 2.522 -0.991 1.00 0.00 C ATOM 804 O VAL A 54 9.547 1.879 0.016 1.00 0.00 O ATOM 805 CB VAL A 54 11.480 1.727 -2.638 1.00 0.00 C ATOM 806 CG1 VAL A 54 12.102 0.669 -1.726 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.682 1.315 -4.099 1.00 0.00 C ATOM 0 H VAL A 54 9.936 2.995 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 54 9.555 0.834 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 54 11.956 2.691 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.169 0.589 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.958 0.956 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.624 -0.294 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.748 1.237 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.206 0.350 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.236 2.064 -4.753 1.00 0.00 H new ATOM 817 N GLU A 55 9.826 3.825 -0.965 1.00 0.00 N ATOM 818 CA GLU A 55 9.611 4.550 0.317 1.00 0.00 C ATOM 819 C GLU A 55 8.140 4.428 0.715 1.00 0.00 C ATOM 820 O GLU A 55 7.799 4.430 1.881 1.00 0.00 O ATOM 821 CB GLU A 55 9.974 6.026 0.138 1.00 0.00 C ATOM 822 CG GLU A 55 9.403 6.536 -1.187 1.00 0.00 C ATOM 823 CD GLU A 55 9.062 8.022 -1.057 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.629 8.666 -0.190 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.239 8.490 -1.826 1.00 0.00 O ATOM 0 H GLU A 55 10.010 4.417 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 55 10.241 4.119 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.577 6.612 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.057 6.149 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.126 6.387 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.511 5.969 -1.453 1.00 0.00 H new ATOM 832 N GLU A 56 7.266 4.310 -0.248 1.00 0.00 N ATOM 833 CA GLU A 56 5.819 4.174 0.074 1.00 0.00 C ATOM 834 C GLU A 56 5.582 2.800 0.699 1.00 0.00 C ATOM 835 O GLU A 56 4.702 2.620 1.517 1.00 0.00 O ATOM 836 CB GLU A 56 4.993 4.306 -1.206 1.00 0.00 C ATOM 837 CG GLU A 56 4.042 5.498 -1.081 1.00 0.00 C ATOM 838 CD GLU A 56 3.127 5.553 -2.306 1.00 0.00 C ATOM 839 OE1 GLU A 56 3.523 5.042 -3.340 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.045 6.104 -2.187 1.00 0.00 O ATOM 0 H GLU A 56 7.493 4.302 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 56 5.519 4.956 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.652 4.442 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.426 3.392 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.446 5.407 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.611 6.424 -0.998 1.00 0.00 H new ATOM 847 N LEU A 57 6.369 1.831 0.320 1.00 0.00 N ATOM 848 CA LEU A 57 6.203 0.467 0.891 1.00 0.00 C ATOM 849 C LEU A 57 6.658 0.476 2.352 1.00 0.00 C ATOM 850 O LEU A 57 6.017 -0.089 3.216 1.00 0.00 O ATOM 851 CB LEU A 57 7.059 -0.526 0.099 1.00 0.00 C ATOM 852 CG LEU A 57 6.403 -1.911 0.113 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.903 -2.238 1.523 1.00 0.00 C ATOM 854 CD2 LEU A 57 5.222 -1.924 -0.859 1.00 0.00 C ATOM 0 H LEU A 57 7.121 1.926 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 57 5.156 0.170 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.175 -0.180 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.058 -0.583 0.531 1.00 0.00 H new ATOM 0 HG LEU A 57 7.137 -2.658 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.438 -3.224 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.743 -2.232 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.171 -1.491 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.754 -2.909 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.493 -1.173 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.576 -1.700 -1.865 1.00 0.00 H new ATOM 866 N TYR A 58 7.761 1.116 2.635 1.00 0.00 N ATOM 867 CA TYR A 58 8.254 1.161 4.041 1.00 0.00 C ATOM 868 C TYR A 58 7.278 1.966 4.901 1.00 0.00 C ATOM 869 O TYR A 58 7.016 1.630 6.038 1.00 0.00 O ATOM 870 CB TYR A 58 9.633 1.823 4.078 1.00 0.00 C ATOM 871 CG TYR A 58 10.180 1.766 5.484 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.856 0.623 5.925 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.011 2.857 6.345 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.363 0.570 7.230 1.00 0.00 C ATOM 875 CE2 TYR A 58 10.518 2.804 7.649 1.00 0.00 C ATOM 876 CZ TYR A 58 11.194 1.660 8.091 1.00 0.00 C ATOM 877 OH TYR A 58 11.694 1.608 9.377 1.00 0.00 O ATOM 0 H TYR A 58 8.340 1.608 1.955 1.00 0.00 H new ATOM 0 HA TYR A 58 8.328 0.146 4.431 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.311 1.315 3.392 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.560 2.859 3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.987 -0.218 5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.490 3.739 6.003 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.884 -0.312 7.571 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.388 3.645 8.314 1.00 0.00 H new ATOM 0 HH TYR A 58 11.492 2.447 9.841 1.00 0.00 H new ATOM 887 N ARG A 59 6.737 3.028 4.367 1.00 0.00 N ATOM 888 CA ARG A 59 5.779 3.852 5.156 1.00 0.00 C ATOM 889 C ARG A 59 4.536 3.020 5.478 1.00 0.00 C ATOM 890 O ARG A 59 4.114 2.931 6.614 1.00 0.00 O ATOM 891 CB ARG A 59 5.373 5.083 4.343 1.00 0.00 C ATOM 892 CG ARG A 59 4.659 6.083 5.254 1.00 0.00 C ATOM 893 CD ARG A 59 3.539 6.774 4.475 1.00 0.00 C ATOM 894 NE ARG A 59 2.615 7.451 5.429 1.00 0.00 N ATOM 895 CZ ARG A 59 1.748 8.322 4.991 1.00 0.00 C ATOM 896 NH1 ARG A 59 2.137 9.295 4.212 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.493 8.221 5.331 1.00 0.00 N ATOM 0 H ARG A 59 6.917 3.360 3.419 1.00 0.00 H new ATOM 0 HA ARG A 59 6.253 4.171 6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.254 5.545 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.718 4.790 3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.248 5.570 6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.368 6.823 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.960 7.502 3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.992 6.044 3.879 1.00 0.00 H new ATOM 0 HE ARG A 59 2.661 7.233 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.119 9.374 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.459 9.976 3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.189 7.461 5.940 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.185 8.902 4.988 1.00 0.00 H new ATOM 911 N PHE A 60 3.946 2.410 4.487 1.00 0.00 N ATOM 912 CA PHE A 60 2.731 1.584 4.737 1.00 0.00 C ATOM 913 C PHE A 60 3.152 0.158 5.093 1.00 0.00 C ATOM 914 O PHE A 60 2.364 -0.765 5.036 1.00 0.00 O ATOM 915 CB PHE A 60 1.861 1.563 3.478 1.00 0.00 C ATOM 916 CG PHE A 60 1.112 2.868 3.361 1.00 0.00 C ATOM 917 CD1 PHE A 60 0.055 3.151 4.236 1.00 0.00 C ATOM 918 CD2 PHE A 60 1.474 3.798 2.378 1.00 0.00 C ATOM 919 CE1 PHE A 60 -0.638 4.362 4.128 1.00 0.00 C ATOM 920 CE2 PHE A 60 0.779 5.009 2.270 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.276 5.291 3.144 1.00 0.00 C ATOM 0 H PHE A 60 4.253 2.448 3.515 1.00 0.00 H new ATOM 0 HA PHE A 60 2.162 2.011 5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.483 1.408 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.158 0.731 3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.225 2.434 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.289 3.581 1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.452 4.580 4.803 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.058 5.726 1.512 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.812 6.225 3.060 1.00 0.00 H new ATOM 931 N ARG A 61 4.391 -0.031 5.459 1.00 0.00 N ATOM 932 CA ARG A 61 4.862 -1.398 5.819 1.00 0.00 C ATOM 933 C ARG A 61 4.135 -1.872 7.079 1.00 0.00 C ATOM 934 O ARG A 61 3.781 -3.028 7.205 1.00 0.00 O ATOM 935 CB ARG A 61 6.369 -1.364 6.083 1.00 0.00 C ATOM 936 CG ARG A 61 6.811 -2.694 6.696 1.00 0.00 C ATOM 937 CD ARG A 61 7.971 -3.272 5.882 1.00 0.00 C ATOM 938 NE ARG A 61 9.257 -2.984 6.577 1.00 0.00 N ATOM 939 CZ ARG A 61 9.823 -3.905 7.309 1.00 0.00 C ATOM 940 NH1 ARG A 61 9.386 -4.137 8.517 1.00 0.00 N ATOM 941 NH2 ARG A 61 10.824 -4.593 6.833 1.00 0.00 N ATOM 0 H ARG A 61 5.097 0.702 5.524 1.00 0.00 H new ATOM 0 HA ARG A 61 4.651 -2.083 4.998 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.908 -1.184 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.612 -0.542 6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.118 -2.545 7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.977 -3.396 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.844 -4.348 5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.980 -2.837 4.882 1.00 0.00 H new ATOM 0 HE ARG A 61 9.695 -2.068 6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.603 -3.599 8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.828 -4.856 9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.165 -4.411 5.889 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.266 -5.313 7.405 1.00 0.00 H new ATOM 955 N ASP A 62 3.908 -0.990 8.013 1.00 0.00 N ATOM 956 CA ASP A 62 3.202 -1.393 9.262 1.00 0.00 C ATOM 957 C ASP A 62 1.733 -1.688 8.947 1.00 0.00 C ATOM 958 O ASP A 62 0.988 -2.146 9.790 1.00 0.00 O ATOM 959 CB ASP A 62 3.287 -0.257 10.284 1.00 0.00 C ATOM 960 CG ASP A 62 2.506 -0.643 11.542 1.00 0.00 C ATOM 961 OD1 ASP A 62 2.670 -1.762 11.997 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.756 0.189 12.028 1.00 0.00 O ATOM 0 H ASP A 62 4.181 -0.008 7.966 1.00 0.00 H new ATOM 0 HA ASP A 62 3.671 -2.287 9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.328 -0.058 10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.881 0.661 9.858 1.00 0.00 H new ATOM 967 N ARG A 63 1.311 -1.426 7.740 1.00 0.00 N ATOM 968 CA ARG A 63 -0.110 -1.691 7.375 1.00 0.00 C ATOM 969 C ARG A 63 -0.160 -2.611 6.153 1.00 0.00 C ATOM 970 O ARG A 63 -1.206 -2.833 5.576 1.00 0.00 O ATOM 971 CB ARG A 63 -0.806 -0.369 7.045 1.00 0.00 C ATOM 972 CG ARG A 63 -2.261 -0.427 7.514 1.00 0.00 C ATOM 973 CD ARG A 63 -3.101 0.554 6.694 1.00 0.00 C ATOM 974 NE ARG A 63 -4.262 1.015 7.508 1.00 0.00 N ATOM 975 CZ ARG A 63 -5.179 0.164 7.877 1.00 0.00 C ATOM 976 NH1 ARG A 63 -5.720 -0.634 6.998 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.556 0.111 9.125 1.00 0.00 N ATOM 0 H ARG A 63 1.887 -1.041 6.992 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.617 -2.171 8.212 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.289 0.458 7.532 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.766 -0.183 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.651 -1.439 7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.323 -0.178 8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.493 1.407 6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.451 0.074 5.780 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.339 1.996 7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.426 -0.592 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.437 -1.300 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.134 0.735 9.812 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.273 -0.555 9.413 1.00 0.00 H new ATOM 991 N LEU A 64 0.960 -3.148 5.753 1.00 0.00 N ATOM 992 CA LEU A 64 0.970 -4.050 4.568 1.00 0.00 C ATOM 993 C LEU A 64 0.910 -5.511 5.047 1.00 0.00 C ATOM 994 O LEU A 64 1.043 -5.779 6.224 1.00 0.00 O ATOM 995 CB LEU A 64 2.245 -3.783 3.740 1.00 0.00 C ATOM 996 CG LEU A 64 3.307 -4.862 3.989 1.00 0.00 C ATOM 997 CD1 LEU A 64 4.581 -4.515 3.218 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.621 -4.934 5.485 1.00 0.00 C ATOM 0 H LEU A 64 1.867 -3.001 6.195 1.00 0.00 H new ATOM 0 HA LEU A 64 0.104 -3.860 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.994 -3.755 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.650 -2.804 3.997 1.00 0.00 H new ATOM 0 HG LEU A 64 2.929 -5.826 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.334 -5.282 3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.359 -4.465 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.959 -3.550 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.375 -5.701 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.997 -3.969 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.714 -5.184 6.036 1.00 0.00 H new ATOM 1010 N PRO A 65 0.708 -6.408 4.116 1.00 0.00 N ATOM 1011 CA PRO A 65 0.627 -7.828 4.421 1.00 0.00 C ATOM 1012 C PRO A 65 2.015 -8.380 4.763 1.00 0.00 C ATOM 1013 O PRO A 65 2.423 -8.395 5.907 1.00 0.00 O ATOM 1014 CB PRO A 65 0.093 -8.464 3.143 1.00 0.00 C ATOM 1015 CG PRO A 65 0.525 -7.463 2.026 1.00 0.00 C ATOM 1016 CD PRO A 65 0.548 -6.060 2.696 1.00 0.00 C ATOM 0 HA PRO A 65 -0.010 -8.035 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.518 -9.454 2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.990 -8.584 3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.506 -7.722 1.628 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.174 -7.485 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.371 -5.446 2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.371 -5.504 2.512 1.00 0.00 H new ATOM 1024 N GLU A 66 2.740 -8.835 3.780 1.00 0.00 N ATOM 1025 CA GLU A 66 4.095 -9.389 4.047 1.00 0.00 C ATOM 1026 C GLU A 66 4.738 -9.845 2.734 1.00 0.00 C ATOM 1027 O GLU A 66 5.943 -9.837 2.588 1.00 0.00 O ATOM 1028 CB GLU A 66 3.965 -10.584 4.990 1.00 0.00 C ATOM 1029 CG GLU A 66 5.289 -10.806 5.723 1.00 0.00 C ATOM 1030 CD GLU A 66 5.286 -12.190 6.374 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.767 -13.109 5.764 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.801 -12.307 7.474 1.00 0.00 O ATOM 0 H GLU A 66 2.452 -8.847 2.802 1.00 0.00 H new ATOM 0 HA GLU A 66 4.720 -8.621 4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.165 -10.407 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.696 -11.477 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.122 -10.723 5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.431 -10.036 6.481 1.00 0.00 H new ATOM 1039 N LYS A 67 3.946 -10.245 1.776 1.00 0.00 N ATOM 1040 CA LYS A 67 4.515 -10.711 0.476 1.00 0.00 C ATOM 1041 C LYS A 67 5.179 -9.552 -0.285 1.00 0.00 C ATOM 1042 O LYS A 67 5.644 -9.725 -1.394 1.00 0.00 O ATOM 1043 CB LYS A 67 3.393 -11.298 -0.382 1.00 0.00 C ATOM 1044 CG LYS A 67 3.858 -12.617 -1.001 1.00 0.00 C ATOM 1045 CD LYS A 67 2.913 -13.012 -2.137 1.00 0.00 C ATOM 1046 CE LYS A 67 2.959 -11.946 -3.234 1.00 0.00 C ATOM 1047 NZ LYS A 67 1.583 -11.437 -3.488 1.00 0.00 N ATOM 0 H LYS A 67 2.928 -10.270 1.836 1.00 0.00 H new ATOM 0 HA LYS A 67 5.272 -11.468 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.504 -11.464 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.115 -10.594 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.875 -12.514 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.878 -13.399 -0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.202 -13.981 -2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.896 -13.116 -1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.612 -11.127 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.377 -12.367 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.613 -10.712 -4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.973 -12.222 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.200 -11.020 -2.615 1.00 0.00 H new ATOM 1061 N LEU A 68 5.237 -8.376 0.285 1.00 0.00 N ATOM 1062 CA LEU A 68 5.881 -7.239 -0.435 1.00 0.00 C ATOM 1063 C LEU A 68 7.060 -6.716 0.389 1.00 0.00 C ATOM 1064 O LEU A 68 7.655 -5.709 0.064 1.00 0.00 O ATOM 1065 CB LEU A 68 4.870 -6.105 -0.635 1.00 0.00 C ATOM 1066 CG LEU A 68 3.479 -6.681 -0.903 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.520 -6.213 0.190 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.979 -6.188 -2.263 1.00 0.00 C ATOM 0 H LEU A 68 4.869 -8.156 1.210 1.00 0.00 H new ATOM 0 HA LEU A 68 6.231 -7.588 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.845 -5.470 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.178 -5.476 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 68 3.528 -7.770 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.527 -6.622 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.877 -6.559 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.470 -5.124 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.987 -6.597 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.928 -5.099 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.665 -6.516 -3.044 1.00 0.00 H new ATOM 1080 N ARG A 69 7.396 -7.387 1.456 1.00 0.00 N ATOM 1081 CA ARG A 69 8.530 -6.922 2.305 1.00 0.00 C ATOM 1082 C ARG A 69 9.769 -6.681 1.439 1.00 0.00 C ATOM 1083 O ARG A 69 10.275 -5.579 1.362 1.00 0.00 O ATOM 1084 CB ARG A 69 8.845 -7.987 3.358 1.00 0.00 C ATOM 1085 CG ARG A 69 9.388 -7.312 4.619 1.00 0.00 C ATOM 1086 CD ARG A 69 8.270 -7.186 5.654 1.00 0.00 C ATOM 1087 NE ARG A 69 8.849 -7.269 7.025 1.00 0.00 N ATOM 1088 CZ ARG A 69 8.628 -8.322 7.764 1.00 0.00 C ATOM 1089 NH1 ARG A 69 7.474 -8.929 7.707 1.00 0.00 N ATOM 1090 NH2 ARG A 69 9.563 -8.768 8.559 1.00 0.00 N ATOM 0 H ARG A 69 6.934 -8.238 1.777 1.00 0.00 H new ATOM 0 HA ARG A 69 8.251 -5.989 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.946 -8.556 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.576 -8.695 2.968 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.213 -7.894 5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.784 -6.326 4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.746 -6.239 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.535 -7.978 5.510 1.00 0.00 H new ATOM 0 HE ARG A 69 9.418 -6.503 7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.745 -8.581 7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.302 -9.752 8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.465 -8.294 8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.391 -9.591 9.137 1.00 0.00 H new ATOM 1104 N TYR A 70 10.269 -7.701 0.798 1.00 0.00 N ATOM 1105 CA TYR A 70 11.482 -7.522 -0.052 1.00 0.00 C ATOM 1106 C TYR A 70 11.354 -6.239 -0.874 1.00 0.00 C ATOM 1107 O TYR A 70 12.312 -5.518 -1.072 1.00 0.00 O ATOM 1108 CB TYR A 70 11.635 -8.715 -0.995 1.00 0.00 C ATOM 1109 CG TYR A 70 10.310 -9.021 -1.653 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.394 -9.872 -1.023 1.00 0.00 C ATOM 1111 CD2 TYR A 70 10.001 -8.458 -2.897 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.168 -10.159 -1.637 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.776 -8.745 -3.511 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.860 -9.596 -2.881 1.00 0.00 C ATOM 1115 OH TYR A 70 6.653 -9.879 -3.487 1.00 0.00 O ATOM 0 H TYR A 70 9.892 -8.648 0.825 1.00 0.00 H new ATOM 0 HA TYR A 70 12.359 -7.454 0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.386 -8.496 -1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.986 -9.586 -0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.633 -10.307 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.708 -7.802 -3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.461 -10.814 -1.151 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.538 -8.310 -4.470 1.00 0.00 H new ATOM 0 HH TYR A 70 5.987 -10.097 -2.802 1.00 0.00 H new ATOM 1125 N LEU A 71 10.177 -5.945 -1.351 1.00 0.00 N ATOM 1126 CA LEU A 71 9.989 -4.707 -2.158 1.00 0.00 C ATOM 1127 C LEU A 71 10.230 -3.484 -1.267 1.00 0.00 C ATOM 1128 O LEU A 71 10.912 -2.552 -1.646 1.00 0.00 O ATOM 1129 CB LEU A 71 8.558 -4.671 -2.705 1.00 0.00 C ATOM 1130 CG LEU A 71 8.488 -5.459 -4.015 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.027 -5.597 -4.449 1.00 0.00 C ATOM 1132 CD2 LEU A 71 9.269 -4.715 -5.096 1.00 0.00 C ATOM 0 H LEU A 71 9.337 -6.508 -1.217 1.00 0.00 H new ATOM 0 HA LEU A 71 10.694 -4.697 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.869 -5.097 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.248 -3.640 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 71 8.920 -6.449 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.976 -6.158 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.466 -6.125 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.596 -4.607 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.221 -5.275 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.835 -3.726 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.310 -4.613 -4.788 1.00 0.00 H new ATOM 1144 N ALA A 72 9.678 -3.484 -0.085 1.00 0.00 N ATOM 1145 CA ALA A 72 9.874 -2.328 0.834 1.00 0.00 C ATOM 1146 C ALA A 72 11.292 -2.362 1.407 1.00 0.00 C ATOM 1147 O ALA A 72 11.728 -1.438 2.063 1.00 0.00 O ATOM 1148 CB ALA A 72 8.860 -2.415 1.977 1.00 0.00 C ATOM 0 H ALA A 72 9.098 -4.237 0.285 1.00 0.00 H new ATOM 0 HA ALA A 72 9.729 -1.398 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.000 -1.571 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.849 -2.390 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.008 -3.346 2.524 1.00 0.00 H new ATOM 1154 N ASP A 73 12.016 -3.421 1.165 1.00 0.00 N ATOM 1155 CA ASP A 73 13.404 -3.512 1.700 1.00 0.00 C ATOM 1156 C ASP A 73 14.394 -3.027 0.639 1.00 0.00 C ATOM 1157 O ASP A 73 15.556 -2.804 0.917 1.00 0.00 O ATOM 1158 CB ASP A 73 13.717 -4.966 2.062 1.00 0.00 C ATOM 1159 CG ASP A 73 13.391 -5.206 3.537 1.00 0.00 C ATOM 1160 OD1 ASP A 73 12.255 -4.974 3.918 1.00 0.00 O ATOM 1161 OD2 ASP A 73 14.282 -5.619 4.261 1.00 0.00 O ATOM 0 H ASP A 73 11.707 -4.226 0.621 1.00 0.00 H new ATOM 0 HA ASP A 73 13.491 -2.888 2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.135 -5.641 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.768 -5.181 1.871 1.00 0.00 H new ATOM 1166 N ALA A 74 13.945 -2.864 -0.575 1.00 0.00 N ATOM 1167 CA ALA A 74 14.863 -2.395 -1.652 1.00 0.00 C ATOM 1168 C ALA A 74 15.093 -0.887 -1.508 1.00 0.00 C ATOM 1169 O ALA A 74 14.340 -0.210 -0.837 1.00 0.00 O ATOM 1170 CB ALA A 74 14.234 -2.679 -3.014 1.00 0.00 C ATOM 0 H ALA A 74 12.983 -3.035 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 74 15.815 -2.920 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.904 -2.337 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.066 -3.751 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.283 -2.153 -3.092 1.00 0.00 H new ATOM 1176 N PRO A 75 16.125 -0.403 -2.153 1.00 0.00 N ATOM 1177 CA PRO A 75 16.461 1.014 -2.119 1.00 0.00 C ATOM 1178 C PRO A 75 15.235 1.848 -2.502 1.00 0.00 C ATOM 1179 O PRO A 75 14.246 1.328 -2.978 1.00 0.00 O ATOM 1180 CB PRO A 75 17.566 1.169 -3.160 1.00 0.00 C ATOM 1181 CG PRO A 75 18.196 -0.257 -3.236 1.00 0.00 C ATOM 1182 CD PRO A 75 17.028 -1.244 -2.955 1.00 0.00 C ATOM 0 HA PRO A 75 16.778 1.351 -1.132 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.168 1.484 -4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.300 1.917 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.636 -0.439 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.993 -0.373 -2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.556 -1.594 -3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.359 -2.128 -2.410 1.00 0.00 H new ATOM 1190 N GLN A 76 15.287 3.137 -2.298 1.00 0.00 N ATOM 1191 CA GLN A 76 14.116 3.991 -2.650 1.00 0.00 C ATOM 1192 C GLN A 76 14.601 5.319 -3.237 1.00 0.00 C ATOM 1193 O GLN A 76 14.080 6.370 -2.922 1.00 0.00 O ATOM 1194 CB GLN A 76 13.292 4.265 -1.390 1.00 0.00 C ATOM 1195 CG GLN A 76 14.055 5.231 -0.480 1.00 0.00 C ATOM 1196 CD GLN A 76 13.795 4.867 0.982 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.698 5.038 1.478 1.00 0.00 O ATOM 1198 NE2 GLN A 76 14.764 4.369 1.701 1.00 0.00 N ATOM 0 H GLN A 76 16.086 3.634 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 76 13.502 3.474 -3.387 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.325 4.690 -1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.094 3.332 -0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 76 15.123 5.182 -0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.738 6.256 -0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.685 4.225 1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.600 4.124 2.678 1.00 0.00 H new ATOM 1207 N GLN A 77 15.582 5.279 -4.098 1.00 0.00 N ATOM 1208 CA GLN A 77 16.093 6.539 -4.713 1.00 0.00 C ATOM 1209 C GLN A 77 17.500 6.314 -5.277 1.00 0.00 C ATOM 1210 O GLN A 77 17.976 7.086 -6.082 1.00 0.00 O ATOM 1211 CB GLN A 77 16.158 7.649 -3.659 1.00 0.00 C ATOM 1212 CG GLN A 77 16.669 7.072 -2.338 1.00 0.00 C ATOM 1213 CD GLN A 77 17.345 8.178 -1.526 1.00 0.00 C ATOM 1214 OE1 GLN A 77 18.508 8.470 -1.724 1.00 0.00 O ATOM 1215 NE2 GLN A 77 16.661 8.811 -0.612 1.00 0.00 N ATOM 0 H GLN A 77 16.053 4.427 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 77 15.416 6.831 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.817 8.448 -3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 77 15.171 8.089 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.842 6.644 -1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.375 6.264 -2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 77 15.685 8.567 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.103 9.550 -0.065 1.00 0.00 H new ATOM 1224 N ASP A 78 18.176 5.278 -4.853 1.00 0.00 N ATOM 1225 CA ASP A 78 19.554 5.036 -5.367 1.00 0.00 C ATOM 1226 C ASP A 78 20.476 6.120 -4.793 1.00 0.00 C ATOM 1227 O ASP A 78 20.011 7.028 -4.133 1.00 0.00 O ATOM 1228 CB ASP A 78 19.524 5.063 -6.912 1.00 0.00 C ATOM 1229 CG ASP A 78 20.028 6.406 -7.465 1.00 0.00 C ATOM 1230 OD1 ASP A 78 21.208 6.683 -7.324 1.00 0.00 O ATOM 1231 OD2 ASP A 78 19.225 7.130 -8.031 1.00 0.00 O ATOM 0 H ASP A 78 17.835 4.594 -4.178 1.00 0.00 H new ATOM 0 HA ASP A 78 19.931 4.061 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 78 20.141 4.254 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.507 4.885 -7.260 1.00 0.00 H new ATOM 1236 N PRO A 79 21.756 6.004 -5.052 1.00 0.00 N ATOM 1237 CA PRO A 79 22.732 6.974 -4.559 1.00 0.00 C ATOM 1238 C PRO A 79 22.618 8.333 -5.281 1.00 0.00 C ATOM 1239 O PRO A 79 23.559 9.100 -5.310 1.00 0.00 O ATOM 1240 CB PRO A 79 24.084 6.328 -4.844 1.00 0.00 C ATOM 1241 CG PRO A 79 23.787 5.361 -6.032 1.00 0.00 C ATOM 1242 CD PRO A 79 22.318 4.892 -5.838 1.00 0.00 C ATOM 0 HA PRO A 79 22.578 7.194 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.835 7.072 -5.111 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.462 5.790 -3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.913 5.867 -6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.472 4.513 -6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.801 4.759 -6.788 1.00 0.00 H new ATOM 0 HD3 PRO A 79 22.257 3.942 -5.307 1.00 0.00 H new ATOM 1250 N GLU A 80 21.484 8.647 -5.855 1.00 0.00 N ATOM 1251 CA GLU A 80 21.330 9.948 -6.551 1.00 0.00 C ATOM 1252 C GLU A 80 20.243 10.761 -5.845 1.00 0.00 C ATOM 1253 O GLU A 80 20.346 11.963 -5.698 1.00 0.00 O ATOM 1254 CB GLU A 80 20.915 9.685 -7.995 1.00 0.00 C ATOM 1255 CG GLU A 80 21.214 10.917 -8.850 1.00 0.00 C ATOM 1256 CD GLU A 80 22.728 11.110 -8.953 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.351 10.372 -9.698 1.00 0.00 O ATOM 1258 OE2 GLU A 80 23.239 11.996 -8.286 1.00 0.00 O ATOM 0 H GLU A 80 20.657 8.050 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 80 22.269 10.502 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.451 8.820 -8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 80 19.852 9.448 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.783 10.796 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.753 11.800 -8.408 1.00 0.00 H new ATOM 1265 N GLY A 81 19.201 10.107 -5.404 1.00 0.00 N ATOM 1266 CA GLY A 81 18.101 10.828 -4.702 1.00 0.00 C ATOM 1267 C GLY A 81 16.941 11.069 -5.670 1.00 0.00 C ATOM 1268 O GLY A 81 16.091 11.905 -5.438 1.00 0.00 O ATOM 0 H GLY A 81 19.065 9.101 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.759 10.245 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.466 11.779 -4.313 1.00 0.00 H new ATOM 1272 N ASN A 82 16.895 10.339 -6.751 1.00 0.00 N ATOM 1273 CA ASN A 82 15.783 10.526 -7.728 1.00 0.00 C ATOM 1274 C ASN A 82 14.601 9.647 -7.316 1.00 0.00 C ATOM 1275 O ASN A 82 13.692 9.412 -8.087 1.00 0.00 O ATOM 1276 CB ASN A 82 16.245 10.120 -9.134 1.00 0.00 C ATOM 1277 CG ASN A 82 17.771 10.206 -9.233 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.364 11.186 -8.829 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.433 9.211 -9.759 1.00 0.00 N ATOM 0 H ASN A 82 17.577 9.623 -7.000 1.00 0.00 H new ATOM 0 HA ASN A 82 15.486 11.575 -7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.915 9.105 -9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.787 10.772 -9.878 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.449 9.256 -9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.934 8.389 -10.098 1.00 0.00 H new ATOM 1286 N LYS A 83 14.612 9.156 -6.108 1.00 0.00 N ATOM 1287 CA LYS A 83 13.501 8.287 -5.642 1.00 0.00 C ATOM 1288 C LYS A 83 13.410 7.059 -6.529 1.00 0.00 C ATOM 1289 O LYS A 83 13.586 7.121 -7.728 1.00 0.00 O ATOM 1290 CB LYS A 83 12.197 9.049 -5.692 1.00 0.00 C ATOM 1291 CG LYS A 83 12.157 10.005 -4.507 1.00 0.00 C ATOM 1292 CD LYS A 83 10.728 10.110 -3.987 1.00 0.00 C ATOM 1293 CE LYS A 83 10.258 11.564 -4.064 1.00 0.00 C ATOM 1294 NZ LYS A 83 8.916 11.686 -3.427 1.00 0.00 N ATOM 0 H LYS A 83 15.348 9.322 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 83 13.694 7.978 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.115 9.601 -6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.353 8.360 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.818 9.649 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.519 10.988 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.068 9.473 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.678 9.755 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.972 12.216 -3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.210 11.887 -5.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.596 12.674 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.238 11.076 -3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.977 11.394 -2.431 1.00 0.00 H new ATOM 1308 N THR A 84 13.151 5.941 -5.935 1.00 0.00 N ATOM 1309 CA THR A 84 13.064 4.686 -6.722 1.00 0.00 C ATOM 1310 C THR A 84 11.810 3.920 -6.322 1.00 0.00 C ATOM 1311 O THR A 84 11.561 3.678 -5.157 1.00 0.00 O ATOM 1312 CB THR A 84 14.305 3.837 -6.449 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.449 4.677 -6.418 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.471 2.803 -7.553 1.00 0.00 C ATOM 0 H THR A 84 12.994 5.837 -4.933 1.00 0.00 H new ATOM 0 HA THR A 84 13.012 4.919 -7.786 1.00 0.00 H new ATOM 0 HB THR A 84 14.193 3.329 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.933 4.602 -7.267 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.357 2.199 -7.356 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.592 2.159 -7.583 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.583 3.309 -8.512 1.00 0.00 H new ATOM 1322 N MET A 85 11.016 3.539 -7.281 1.00 0.00 N ATOM 1323 CA MET A 85 9.773 2.791 -6.958 1.00 0.00 C ATOM 1324 C MET A 85 9.933 1.329 -7.367 1.00 0.00 C ATOM 1325 O MET A 85 10.997 0.896 -7.764 1.00 0.00 O ATOM 1326 CB MET A 85 8.581 3.426 -7.691 1.00 0.00 C ATOM 1327 CG MET A 85 8.496 2.896 -9.125 1.00 0.00 C ATOM 1328 SD MET A 85 6.964 3.474 -9.891 1.00 0.00 S ATOM 1329 CE MET A 85 6.131 1.870 -9.923 1.00 0.00 C ATOM 0 H MET A 85 11.174 3.713 -8.273 1.00 0.00 H new ATOM 0 HA MET A 85 9.588 2.837 -5.885 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.657 3.203 -7.158 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.688 4.511 -7.703 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.355 3.238 -9.702 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.526 1.806 -9.124 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.056 2.020 -10.021 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.495 1.288 -10.770 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.339 1.333 -8.997 1.00 0.00 H new ATOM 1339 N VAL A 86 8.885 0.566 -7.265 1.00 0.00 N ATOM 1340 CA VAL A 86 8.975 -0.867 -7.639 1.00 0.00 C ATOM 1341 C VAL A 86 8.601 -1.050 -9.112 1.00 0.00 C ATOM 1342 O VAL A 86 7.930 -0.230 -9.703 1.00 0.00 O ATOM 1343 CB VAL A 86 8.011 -1.670 -6.769 1.00 0.00 C ATOM 1344 CG1 VAL A 86 8.118 -3.154 -7.121 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.369 -1.464 -5.295 1.00 0.00 C ATOM 0 H VAL A 86 7.969 0.874 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 86 9.996 -1.216 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 86 6.990 -1.332 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.429 -3.726 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.864 -3.298 -8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.137 -3.497 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.683 -2.036 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.390 -1.803 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.290 -0.406 -5.046 1.00 0.00 H new ATOM 1355 N ARG A 87 9.029 -2.130 -9.697 1.00 0.00 N ATOM 1356 CA ARG A 87 8.701 -2.407 -11.125 1.00 0.00 C ATOM 1357 C ARG A 87 8.495 -3.915 -11.277 1.00 0.00 C ATOM 1358 O ARG A 87 8.623 -4.660 -10.325 1.00 0.00 O ATOM 1359 CB ARG A 87 9.848 -1.957 -12.034 1.00 0.00 C ATOM 1360 CG ARG A 87 10.314 -0.561 -11.624 1.00 0.00 C ATOM 1361 CD ARG A 87 9.335 0.476 -12.173 1.00 0.00 C ATOM 1362 NE ARG A 87 10.080 1.700 -12.580 1.00 0.00 N ATOM 1363 CZ ARG A 87 10.117 2.054 -13.836 1.00 0.00 C ATOM 1364 NH1 ARG A 87 10.592 1.232 -14.732 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.677 3.229 -14.196 1.00 0.00 N ATOM 0 H ARG A 87 9.600 -2.843 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 87 7.802 -1.861 -11.410 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.677 -2.662 -11.966 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.520 -1.950 -13.073 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.369 -0.487 -10.538 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.316 -0.372 -12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.796 0.066 -13.027 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.591 0.725 -11.416 1.00 0.00 H new ATOM 0 HE ARG A 87 10.561 2.261 -11.877 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.934 0.313 -14.451 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.621 1.509 -15.713 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.304 3.870 -13.496 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.706 3.506 -15.177 1.00 0.00 H new ATOM 1379 N PHE A 88 8.185 -4.382 -12.453 1.00 0.00 N ATOM 1380 CA PHE A 88 7.986 -5.849 -12.622 1.00 0.00 C ATOM 1381 C PHE A 88 8.555 -6.303 -13.965 1.00 0.00 C ATOM 1382 O PHE A 88 8.302 -5.709 -14.995 1.00 0.00 O ATOM 1383 CB PHE A 88 6.496 -6.182 -12.571 1.00 0.00 C ATOM 1384 CG PHE A 88 6.321 -7.678 -12.680 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.627 -8.498 -11.587 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.855 -8.245 -13.872 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.470 -9.885 -11.688 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.697 -9.632 -13.972 1.00 0.00 C ATOM 1389 CZ PHE A 88 6.004 -10.452 -12.879 1.00 0.00 C ATOM 0 H PHE A 88 8.062 -3.820 -13.296 1.00 0.00 H new ATOM 0 HA PHE A 88 8.504 -6.367 -11.814 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.061 -5.819 -11.640 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.971 -5.682 -13.384 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.984 -8.060 -10.666 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.617 -7.612 -14.714 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.709 -10.518 -10.846 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.338 -10.070 -14.892 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.881 -11.522 -12.956 1.00 0.00 H new ATOM 1399 N SER A 89 9.313 -7.364 -13.961 1.00 0.00 N ATOM 1400 CA SER A 89 9.890 -7.875 -15.232 1.00 0.00 C ATOM 1401 C SER A 89 9.206 -9.195 -15.586 1.00 0.00 C ATOM 1402 O SER A 89 9.045 -10.064 -14.750 1.00 0.00 O ATOM 1403 CB SER A 89 11.391 -8.106 -15.056 1.00 0.00 C ATOM 1404 OG SER A 89 12.077 -6.869 -15.205 1.00 0.00 O ATOM 0 H SER A 89 9.558 -7.900 -13.128 1.00 0.00 H new ATOM 0 HA SER A 89 9.732 -7.150 -16.030 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.592 -8.531 -14.073 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.749 -8.825 -15.793 1.00 0.00 H new ATOM 0 HG SER A 89 11.843 -6.274 -14.463 1.00 0.00 H new ATOM 1410 N ARG A 90 8.798 -9.355 -16.815 1.00 0.00 N ATOM 1411 CA ARG A 90 8.121 -10.620 -17.212 1.00 0.00 C ATOM 1412 C ARG A 90 9.171 -11.627 -17.677 1.00 0.00 C ATOM 1413 O ARG A 90 8.911 -12.810 -17.775 1.00 0.00 O ATOM 1414 CB ARG A 90 7.140 -10.340 -18.351 1.00 0.00 C ATOM 1415 CG ARG A 90 6.489 -11.650 -18.799 1.00 0.00 C ATOM 1416 CD ARG A 90 5.008 -11.410 -19.097 1.00 0.00 C ATOM 1417 NE ARG A 90 4.495 -12.499 -19.975 1.00 0.00 N ATOM 1418 CZ ARG A 90 3.451 -13.192 -19.613 1.00 0.00 C ATOM 1419 NH1 ARG A 90 2.252 -12.763 -19.897 1.00 0.00 N ATOM 1420 NH2 ARG A 90 3.606 -14.315 -18.966 1.00 0.00 N ATOM 0 H ARG A 90 8.904 -8.666 -17.559 1.00 0.00 H new ATOM 0 HA ARG A 90 7.576 -11.027 -16.360 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.376 -9.636 -18.022 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.661 -9.876 -19.188 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.992 -12.033 -19.687 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.596 -12.406 -18.021 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.439 -11.379 -18.168 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.876 -10.444 -19.583 1.00 0.00 H new ATOM 0 HE ARG A 90 4.960 -12.703 -20.859 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.131 -11.885 -20.402 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.436 -13.305 -19.614 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.543 -14.650 -18.744 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.790 -14.857 -18.683 1.00 0.00 H new ATOM 1434 N LYS A 91 10.361 -11.170 -17.954 1.00 0.00 N ATOM 1435 CA LYS A 91 11.428 -12.105 -18.401 1.00 0.00 C ATOM 1436 C LYS A 91 11.721 -13.099 -17.276 1.00 0.00 C ATOM 1437 O LYS A 91 12.235 -14.176 -17.503 1.00 0.00 O ATOM 1438 CB LYS A 91 12.698 -11.315 -18.728 1.00 0.00 C ATOM 1439 CG LYS A 91 12.582 -10.725 -20.136 1.00 0.00 C ATOM 1440 CD LYS A 91 11.491 -9.653 -20.153 1.00 0.00 C ATOM 1441 CE LYS A 91 11.844 -8.548 -19.155 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.933 -7.243 -19.869 1.00 0.00 N ATOM 0 H LYS A 91 10.639 -10.191 -17.890 1.00 0.00 H new ATOM 0 HA LYS A 91 11.099 -12.641 -19.291 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.842 -10.518 -17.999 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.570 -11.965 -18.665 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.535 -10.293 -20.440 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.345 -11.511 -20.853 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.393 -9.235 -21.155 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.528 -10.095 -19.897 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.088 -8.495 -18.372 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.792 -8.773 -18.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.173 -6.492 -19.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.670 -7.297 -20.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.018 -7.028 -20.314 1.00 0.00 H new ATOM 1456 N THR A 92 11.395 -12.742 -16.063 1.00 0.00 N ATOM 1457 CA THR A 92 11.652 -13.664 -14.922 1.00 0.00 C ATOM 1458 C THR A 92 10.535 -13.520 -13.885 1.00 0.00 C ATOM 1459 O THR A 92 10.636 -14.015 -12.781 1.00 0.00 O ATOM 1460 CB THR A 92 12.993 -13.312 -14.274 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.166 -11.902 -14.286 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.128 -13.973 -15.055 1.00 0.00 C ATOM 0 H THR A 92 10.962 -11.853 -15.814 1.00 0.00 H new ATOM 0 HA THR A 92 11.680 -14.691 -15.286 1.00 0.00 H new ATOM 0 HB THR A 92 13.006 -13.672 -13.245 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.023 -11.674 -13.870 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.082 -13.722 -14.593 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.994 -15.055 -15.046 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.118 -13.615 -16.084 1.00 0.00 H new ATOM 1470 N LYS A 93 9.473 -12.845 -14.230 1.00 0.00 N ATOM 1471 CA LYS A 93 8.357 -12.670 -13.261 1.00 0.00 C ATOM 1472 C LYS A 93 8.930 -12.308 -11.889 1.00 0.00 C ATOM 1473 O LYS A 93 8.816 -13.059 -10.940 1.00 0.00 O ATOM 1474 CB LYS A 93 7.563 -13.973 -13.155 1.00 0.00 C ATOM 1475 CG LYS A 93 6.264 -13.847 -13.954 1.00 0.00 C ATOM 1476 CD LYS A 93 6.231 -14.916 -15.047 1.00 0.00 C ATOM 1477 CE LYS A 93 4.782 -15.177 -15.464 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.498 -16.638 -15.391 1.00 0.00 N ATOM 0 H LYS A 93 9.331 -12.408 -15.141 1.00 0.00 H new ATOM 0 HA LYS A 93 7.698 -11.872 -13.604 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.157 -14.805 -13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.340 -14.191 -12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.405 -13.962 -13.293 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.193 -12.855 -14.399 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.815 -14.589 -15.908 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.687 -15.837 -14.683 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.101 -14.631 -14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.613 -14.813 -16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.513 -16.815 -15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.139 -17.149 -16.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.643 -16.972 -14.417 1.00 0.00 H new ATOM 1492 N GLN A 94 9.549 -11.164 -11.775 1.00 0.00 N ATOM 1493 CA GLN A 94 10.130 -10.762 -10.461 1.00 0.00 C ATOM 1494 C GLN A 94 9.851 -9.278 -10.206 1.00 0.00 C ATOM 1495 O GLN A 94 9.124 -8.638 -10.938 1.00 0.00 O ATOM 1496 CB GLN A 94 11.642 -10.997 -10.479 1.00 0.00 C ATOM 1497 CG GLN A 94 11.928 -12.499 -10.402 1.00 0.00 C ATOM 1498 CD GLN A 94 13.353 -12.776 -10.885 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.671 -13.883 -11.273 1.00 0.00 O ATOM 1500 NE2 GLN A 94 14.232 -11.811 -10.878 1.00 0.00 N ATOM 0 H GLN A 94 9.677 -10.492 -12.532 1.00 0.00 H new ATOM 0 HA GLN A 94 9.676 -11.358 -9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.074 -10.580 -11.389 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.110 -10.484 -9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.806 -12.851 -9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.213 -13.047 -11.015 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.966 -10.882 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 94 15.184 -11.986 -11.198 1.00 0.00 H new ATOM 1509 N GLN A 95 10.424 -8.727 -9.169 1.00 0.00 N ATOM 1510 CA GLN A 95 10.190 -7.287 -8.868 1.00 0.00 C ATOM 1511 C GLN A 95 11.521 -6.530 -8.892 1.00 0.00 C ATOM 1512 O GLN A 95 12.450 -6.859 -8.181 1.00 0.00 O ATOM 1513 CB GLN A 95 9.555 -7.142 -7.481 1.00 0.00 C ATOM 1514 CG GLN A 95 8.138 -6.585 -7.625 1.00 0.00 C ATOM 1515 CD GLN A 95 7.270 -7.583 -8.392 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.698 -8.684 -8.678 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.061 -7.240 -8.738 1.00 0.00 N ATOM 0 H GLN A 95 11.043 -9.212 -8.519 1.00 0.00 H new ATOM 0 HA GLN A 95 9.520 -6.873 -9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.528 -8.109 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.157 -6.478 -6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.709 -6.396 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.163 -5.630 -8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.704 -6.315 -8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.472 -7.896 -9.250 1.00 0.00 H new ATOM 1526 N TYR A 96 11.612 -5.508 -9.698 1.00 0.00 N ATOM 1527 CA TYR A 96 12.871 -4.715 -9.763 1.00 0.00 C ATOM 1528 C TYR A 96 12.526 -3.236 -9.562 1.00 0.00 C ATOM 1529 O TYR A 96 11.568 -2.739 -10.111 1.00 0.00 O ATOM 1530 CB TYR A 96 13.543 -4.924 -11.127 1.00 0.00 C ATOM 1531 CG TYR A 96 12.839 -4.113 -12.190 1.00 0.00 C ATOM 1532 CD1 TYR A 96 13.244 -2.798 -12.449 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.786 -4.677 -12.919 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.598 -2.048 -13.438 1.00 0.00 C ATOM 1535 CE2 TYR A 96 11.138 -3.926 -13.908 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.545 -2.612 -14.168 1.00 0.00 C ATOM 1537 OH TYR A 96 10.907 -1.872 -15.143 1.00 0.00 O ATOM 0 H TYR A 96 10.866 -5.188 -10.316 1.00 0.00 H new ATOM 0 HA TYR A 96 13.561 -5.039 -8.984 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.591 -4.631 -11.072 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.521 -5.981 -11.393 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.056 -2.362 -11.885 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.473 -5.691 -12.719 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.912 -1.034 -13.638 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.324 -4.361 -14.470 1.00 0.00 H new ATOM 0 HH TYR A 96 10.201 -2.413 -15.554 1.00 0.00 H new ATOM 1547 N VAL A 97 13.282 -2.529 -8.772 1.00 0.00 N ATOM 1548 CA VAL A 97 12.962 -1.088 -8.543 1.00 0.00 C ATOM 1549 C VAL A 97 13.663 -0.232 -9.593 1.00 0.00 C ATOM 1550 O VAL A 97 14.570 -0.674 -10.268 1.00 0.00 O ATOM 1551 CB VAL A 97 13.439 -0.666 -7.151 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.423 -1.116 -6.103 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.795 -1.311 -6.854 1.00 0.00 C ATOM 0 H VAL A 97 14.102 -2.880 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 97 11.884 -0.948 -8.617 1.00 0.00 H new ATOM 0 HB VAL A 97 13.538 0.419 -7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.764 -0.815 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.458 -0.654 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.321 -2.201 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.132 -1.009 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.697 -2.396 -6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.522 -0.988 -7.599 1.00 0.00 H new ATOM 1563 N SER A 98 13.245 0.996 -9.736 1.00 0.00 N ATOM 1564 CA SER A 98 13.882 1.891 -10.741 1.00 0.00 C ATOM 1565 C SER A 98 13.800 3.341 -10.255 1.00 0.00 C ATOM 1566 O SER A 98 12.750 3.820 -9.873 1.00 0.00 O ATOM 1567 CB SER A 98 13.156 1.752 -12.079 1.00 0.00 C ATOM 1568 OG SER A 98 13.904 0.897 -12.933 1.00 0.00 O ATOM 0 H SER A 98 12.488 1.418 -9.198 1.00 0.00 H new ATOM 0 HA SER A 98 14.928 1.612 -10.869 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.157 1.345 -11.923 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.033 2.731 -12.542 1.00 0.00 H new ATOM 0 HG SER A 98 14.267 1.417 -13.680 1.00 0.00 H new ATOM 1574 N SER A 99 14.903 4.040 -10.259 1.00 0.00 N ATOM 1575 CA SER A 99 14.900 5.456 -9.792 1.00 0.00 C ATOM 1576 C SER A 99 14.494 6.379 -10.944 1.00 0.00 C ATOM 1577 O SER A 99 15.176 7.336 -11.253 1.00 0.00 O ATOM 1578 CB SER A 99 16.298 5.837 -9.307 1.00 0.00 C ATOM 1579 OG SER A 99 16.777 4.830 -8.426 1.00 0.00 O ATOM 0 H SER A 99 15.810 3.689 -10.567 1.00 0.00 H new ATOM 0 HA SER A 99 14.188 5.563 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.973 5.946 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.269 6.800 -8.797 1.00 0.00 H new ATOM 0 HG SER A 99 16.934 4.003 -8.928 1.00 0.00 H new ATOM 1585 N GLU A 100 13.391 6.102 -11.583 1.00 0.00 N ATOM 1586 CA GLU A 100 12.947 6.965 -12.714 1.00 0.00 C ATOM 1587 C GLU A 100 11.755 7.816 -12.269 1.00 0.00 C ATOM 1588 O GLU A 100 10.832 7.330 -11.647 1.00 0.00 O ATOM 1589 CB GLU A 100 12.533 6.085 -13.895 1.00 0.00 C ATOM 1590 CG GLU A 100 13.656 5.096 -14.212 1.00 0.00 C ATOM 1591 CD GLU A 100 13.053 3.757 -14.639 1.00 0.00 C ATOM 1592 OE1 GLU A 100 11.904 3.751 -15.051 1.00 0.00 O ATOM 1593 OE2 GLU A 100 13.748 2.759 -14.545 1.00 0.00 O ATOM 0 H GLU A 100 12.778 5.315 -11.371 1.00 0.00 H new ATOM 0 HA GLU A 100 13.766 7.617 -13.017 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.616 5.546 -13.657 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.322 6.704 -14.767 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.289 5.491 -15.006 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.291 4.958 -13.337 1.00 0.00 H new ATOM 1600 N LYS A 101 11.768 9.081 -12.585 1.00 0.00 N ATOM 1601 CA LYS A 101 10.636 9.961 -12.181 1.00 0.00 C ATOM 1602 C LYS A 101 10.362 10.991 -13.276 1.00 0.00 C ATOM 1603 O LYS A 101 11.134 11.149 -14.201 1.00 0.00 O ATOM 1604 CB LYS A 101 10.979 10.674 -10.886 1.00 0.00 C ATOM 1605 CG LYS A 101 9.903 10.322 -9.868 1.00 0.00 C ATOM 1606 CD LYS A 101 9.512 11.572 -9.090 1.00 0.00 C ATOM 1607 CE LYS A 101 10.095 11.503 -7.678 1.00 0.00 C ATOM 1608 NZ LYS A 101 10.058 12.859 -7.060 1.00 0.00 N ATOM 0 H LYS A 101 12.513 9.544 -13.105 1.00 0.00 H new ATOM 0 HA LYS A 101 9.745 9.350 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.961 10.365 -10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.021 11.752 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.031 9.908 -10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.270 9.556 -9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 101 9.879 12.461 -9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.426 11.658 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.525 10.799 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.121 11.135 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.941 13.026 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.957 13.577 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.251 12.921 -6.407 1.00 0.00 H new ATOM 1622 N ASP A 102 9.268 11.696 -13.181 1.00 0.00 N ATOM 1623 CA ASP A 102 8.948 12.715 -14.219 1.00 0.00 C ATOM 1624 C ASP A 102 8.886 12.042 -15.588 1.00 0.00 C ATOM 1625 O ASP A 102 7.851 11.579 -16.022 1.00 0.00 O ATOM 1626 CB ASP A 102 10.032 13.794 -14.225 1.00 0.00 C ATOM 1627 CG ASP A 102 9.809 14.750 -13.051 1.00 0.00 C ATOM 1628 OD1 ASP A 102 8.973 14.445 -12.216 1.00 0.00 O ATOM 1629 OD2 ASP A 102 10.477 15.770 -13.008 1.00 0.00 O ATOM 0 H ASP A 102 8.583 11.610 -12.430 1.00 0.00 H new ATOM 0 HA ASP A 102 7.984 13.173 -13.997 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.018 13.334 -14.151 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.007 14.344 -15.166 1.00 0.00 H new ATOM 1634 N GLY A 103 9.991 11.990 -16.268 1.00 0.00 N ATOM 1635 CA GLY A 103 10.015 11.350 -17.613 1.00 0.00 C ATOM 1636 C GLY A 103 11.437 11.394 -18.173 1.00 0.00 C ATOM 1637 O GLY A 103 11.646 11.641 -19.344 1.00 0.00 O ATOM 0 H GLY A 103 10.885 12.364 -15.951 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.672 10.318 -17.542 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.331 11.868 -18.286 1.00 0.00 H new ATOM 1641 N LYS A 104 12.419 11.158 -17.346 1.00 0.00 N ATOM 1642 CA LYS A 104 13.826 11.187 -17.833 1.00 0.00 C ATOM 1643 C LYS A 104 14.493 9.839 -17.549 1.00 0.00 C ATOM 1644 O LYS A 104 15.594 9.576 -17.991 1.00 0.00 O ATOM 1645 CB LYS A 104 14.593 12.297 -17.111 1.00 0.00 C ATOM 1646 CG LYS A 104 14.674 11.975 -15.617 1.00 0.00 C ATOM 1647 CD LYS A 104 16.043 12.390 -15.077 1.00 0.00 C ATOM 1648 CE LYS A 104 15.969 13.820 -14.541 1.00 0.00 C ATOM 1649 NZ LYS A 104 17.080 14.627 -15.121 1.00 0.00 N ATOM 0 H LYS A 104 12.307 10.946 -16.354 1.00 0.00 H new ATOM 0 HA LYS A 104 13.835 11.378 -18.906 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.596 12.391 -17.528 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.094 13.255 -17.261 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.885 12.500 -15.078 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.516 10.909 -15.455 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.355 11.709 -14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.792 12.325 -15.866 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.008 14.267 -14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.038 13.816 -13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.030 15.600 -14.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.992 14.204 -14.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.995 14.641 -16.157 1.00 0.00 H new ATOM 1663 N ALA A 105 13.837 8.984 -16.815 1.00 0.00 N ATOM 1664 CA ALA A 105 14.435 7.655 -16.504 1.00 0.00 C ATOM 1665 C ALA A 105 15.905 7.839 -16.118 1.00 0.00 C ATOM 1666 O ALA A 105 16.796 7.648 -16.922 1.00 0.00 O ATOM 1667 CB ALA A 105 14.340 6.753 -17.735 1.00 0.00 C ATOM 0 H ALA A 105 12.912 9.148 -16.417 1.00 0.00 H new ATOM 0 HA ALA A 105 13.895 7.196 -15.676 1.00 0.00 H new ATOM 0 HB1 ALA A 105 14.777 5.781 -17.508 1.00 0.00 H new ATOM 0 HB2 ALA A 105 13.294 6.625 -18.012 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.881 7.210 -18.563 1.00 0.00 H new ATOM 1673 N THR A 106 16.164 8.209 -14.894 1.00 0.00 N ATOM 1674 CA THR A 106 17.575 8.404 -14.456 1.00 0.00 C ATOM 1675 C THR A 106 18.436 7.255 -14.981 1.00 0.00 C ATOM 1676 O THR A 106 19.625 7.401 -15.189 1.00 0.00 O ATOM 1677 CB THR A 106 17.635 8.431 -12.928 1.00 0.00 C ATOM 1678 OG1 THR A 106 17.196 7.180 -12.416 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.730 9.546 -12.399 1.00 0.00 C ATOM 0 H THR A 106 15.459 8.385 -14.178 1.00 0.00 H new ATOM 0 HA THR A 106 17.951 9.348 -14.851 1.00 0.00 H new ATOM 0 HB THR A 106 18.660 8.616 -12.608 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.483 7.327 -11.760 1.00 0.00 H new ATOM 0 HG21 THR A 106 16.774 9.564 -11.310 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.067 10.505 -12.792 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.704 9.364 -12.718 1.00 0.00 H new ATOM 1687 N GLY A 107 17.847 6.111 -15.200 1.00 0.00 N ATOM 1688 CA GLY A 107 18.633 4.954 -15.712 1.00 0.00 C ATOM 1689 C GLY A 107 18.951 3.999 -14.560 1.00 0.00 C ATOM 1690 O GLY A 107 19.791 3.129 -14.678 1.00 0.00 O ATOM 0 H GLY A 107 16.855 5.928 -15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 107 18.069 4.432 -16.485 1.00 0.00 H new ATOM 0 HA3 GLY A 107 19.557 5.304 -16.173 1.00 0.00 H new ATOM 1694 N TRP A 108 18.288 4.154 -13.447 1.00 0.00 N ATOM 1695 CA TRP A 108 18.558 3.252 -12.292 1.00 0.00 C ATOM 1696 C TRP A 108 17.485 2.163 -12.233 1.00 0.00 C ATOM 1697 O TRP A 108 16.304 2.436 -12.309 1.00 0.00 O ATOM 1698 CB TRP A 108 18.532 4.058 -10.993 1.00 0.00 C ATOM 1699 CG TRP A 108 19.267 3.306 -9.929 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.602 3.364 -9.719 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.735 2.387 -8.928 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.924 2.541 -8.655 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.809 1.917 -8.135 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.440 1.919 -8.635 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.605 1.017 -7.089 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.233 1.013 -7.583 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.313 0.563 -6.812 1.00 0.00 C ATOM 0 H TRP A 108 17.573 4.864 -13.288 1.00 0.00 H new ATOM 0 HA TRP A 108 19.539 2.793 -12.415 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.992 5.034 -11.148 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.502 4.236 -10.683 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.302 3.956 -10.289 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.871 2.411 -8.298 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.601 2.259 -9.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.440 0.673 -6.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.235 0.661 -7.367 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.147 -0.134 -6.004 1.00 0.00 H new ATOM 1718 N SER A 109 17.890 0.931 -12.094 1.00 0.00 N ATOM 1719 CA SER A 109 16.897 -0.176 -12.026 1.00 0.00 C ATOM 1720 C SER A 109 17.498 -1.342 -11.236 1.00 0.00 C ATOM 1721 O SER A 109 18.275 -2.119 -11.755 1.00 0.00 O ATOM 1722 CB SER A 109 16.556 -0.643 -13.442 1.00 0.00 C ATOM 1723 OG SER A 109 17.623 -1.439 -13.944 1.00 0.00 O ATOM 0 H SER A 109 18.866 0.643 -12.025 1.00 0.00 H new ATOM 0 HA SER A 109 15.990 0.174 -11.532 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.630 -1.218 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.392 0.217 -14.091 1.00 0.00 H new ATOM 0 HG SER A 109 17.686 -2.267 -13.424 1.00 0.00 H new ATOM 1729 N ALA A 110 17.154 -1.467 -9.983 1.00 0.00 N ATOM 1730 CA ALA A 110 17.716 -2.579 -9.167 1.00 0.00 C ATOM 1731 C ALA A 110 16.814 -3.809 -9.282 1.00 0.00 C ATOM 1732 O ALA A 110 15.627 -3.700 -9.513 1.00 0.00 O ATOM 1733 CB ALA A 110 17.804 -2.146 -7.702 1.00 0.00 C ATOM 0 H ALA A 110 16.510 -0.848 -9.491 1.00 0.00 H new ATOM 0 HA ALA A 110 18.712 -2.826 -9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 110 18.215 -2.961 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.451 -1.273 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.808 -1.896 -7.336 1.00 0.00 H new ATOM 1739 N PHE A 111 17.370 -4.979 -9.126 1.00 0.00 N ATOM 1740 CA PHE A 111 16.545 -6.217 -9.235 1.00 0.00 C ATOM 1741 C PHE A 111 16.620 -7.013 -7.933 1.00 0.00 C ATOM 1742 O PHE A 111 17.665 -7.139 -7.329 1.00 0.00 O ATOM 1743 CB PHE A 111 17.069 -7.089 -10.379 1.00 0.00 C ATOM 1744 CG PHE A 111 17.168 -6.274 -11.643 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.169 -5.305 -11.771 1.00 0.00 C ATOM 1746 CD2 PHE A 111 16.265 -6.494 -12.689 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.267 -4.554 -12.947 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.361 -5.740 -13.864 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.364 -4.772 -13.993 1.00 0.00 C ATOM 0 H PHE A 111 18.359 -5.132 -8.928 1.00 0.00 H new ATOM 0 HA PHE A 111 15.511 -5.932 -9.430 1.00 0.00 H new ATOM 0 HB2 PHE A 111 18.047 -7.494 -10.120 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.403 -7.938 -10.535 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.865 -5.137 -10.963 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.495 -7.245 -12.590 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.040 -3.806 -13.047 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.662 -5.905 -14.671 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.441 -4.193 -14.901 1.00 0.00 H new ATOM 1759 N TYR A 112 15.521 -7.564 -7.501 1.00 0.00 N ATOM 1760 CA TYR A 112 15.536 -8.361 -6.245 1.00 0.00 C ATOM 1761 C TYR A 112 15.912 -9.808 -6.570 1.00 0.00 C ATOM 1762 O TYR A 112 15.110 -10.564 -7.082 1.00 0.00 O ATOM 1763 CB TYR A 112 14.148 -8.332 -5.604 1.00 0.00 C ATOM 1764 CG TYR A 112 14.237 -8.854 -4.191 1.00 0.00 C ATOM 1765 CD1 TYR A 112 15.151 -8.290 -3.295 1.00 0.00 C ATOM 1766 CD2 TYR A 112 13.406 -9.902 -3.777 1.00 0.00 C ATOM 1767 CE1 TYR A 112 15.235 -8.771 -1.984 1.00 0.00 C ATOM 1768 CE2 TYR A 112 13.489 -10.384 -2.465 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.403 -9.816 -1.569 1.00 0.00 C ATOM 1770 OH TYR A 112 14.485 -10.292 -0.275 1.00 0.00 O ATOM 0 H TYR A 112 14.614 -7.497 -7.963 1.00 0.00 H new ATOM 0 HA TYR A 112 16.265 -7.937 -5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.757 -7.315 -5.603 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.454 -8.940 -6.185 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.792 -7.482 -3.616 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.701 -10.338 -4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.942 -8.336 -1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.849 -11.193 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 112 13.838 -11.017 -0.152 1.00 0.00 H new ATOM 1780 N VAL A 113 17.120 -10.206 -6.275 1.00 0.00 N ATOM 1781 CA VAL A 113 17.525 -11.603 -6.566 1.00 0.00 C ATOM 1782 C VAL A 113 17.196 -12.459 -5.343 1.00 0.00 C ATOM 1783 O VAL A 113 16.228 -12.214 -4.661 1.00 0.00 O ATOM 1784 CB VAL A 113 19.027 -11.663 -6.877 1.00 0.00 C ATOM 1785 CG1 VAL A 113 19.324 -12.911 -7.711 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.448 -10.424 -7.679 1.00 0.00 C ATOM 0 H VAL A 113 17.839 -9.623 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 113 16.987 -11.979 -7.436 1.00 0.00 H new ATOM 0 HB VAL A 113 19.580 -11.696 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 113 20.390 -12.955 -7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 113 19.033 -13.800 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.761 -12.868 -8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.515 -10.476 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.890 -10.389 -8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.238 -9.526 -7.098 1.00 0.00 H new ATOM 1796 N ASP A 114 18.003 -13.429 -5.031 1.00 0.00 N ATOM 1797 CA ASP A 114 17.720 -14.270 -3.830 1.00 0.00 C ATOM 1798 C ASP A 114 17.940 -13.389 -2.623 1.00 0.00 C ATOM 1799 O ASP A 114 19.030 -13.321 -2.090 1.00 0.00 O ATOM 1800 CB ASP A 114 18.679 -15.462 -3.789 1.00 0.00 C ATOM 1801 CG ASP A 114 17.875 -16.760 -3.687 1.00 0.00 C ATOM 1802 OD1 ASP A 114 17.166 -17.071 -4.631 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.982 -17.421 -2.667 1.00 0.00 O ATOM 0 H ASP A 114 18.844 -13.679 -5.550 1.00 0.00 H new ATOM 0 HA ASP A 114 16.702 -14.659 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.299 -15.475 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.353 -15.371 -2.937 1.00 0.00 H new ATOM 1808 N GLY A 115 16.940 -12.648 -2.222 1.00 0.00 N ATOM 1809 CA GLY A 115 17.156 -11.708 -1.100 1.00 0.00 C ATOM 1810 C GLY A 115 18.416 -10.930 -1.461 1.00 0.00 C ATOM 1811 O GLY A 115 19.157 -10.476 -0.613 1.00 0.00 O ATOM 0 H GLY A 115 16.001 -12.657 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.303 -11.040 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.280 -12.242 -0.158 1.00 0.00 H new ATOM 1815 N LYS A 116 18.680 -10.827 -2.748 1.00 0.00 N ATOM 1816 CA LYS A 116 19.917 -10.137 -3.201 1.00 0.00 C ATOM 1817 C LYS A 116 19.592 -9.013 -4.184 1.00 0.00 C ATOM 1818 O LYS A 116 19.752 -9.165 -5.378 1.00 0.00 O ATOM 1819 CB LYS A 116 20.829 -11.153 -3.893 1.00 0.00 C ATOM 1820 CG LYS A 116 22.043 -11.438 -3.007 1.00 0.00 C ATOM 1821 CD LYS A 116 21.582 -11.711 -1.574 1.00 0.00 C ATOM 1822 CE LYS A 116 22.353 -12.902 -1.005 1.00 0.00 C ATOM 1823 NZ LYS A 116 22.236 -12.905 0.482 1.00 0.00 N ATOM 0 H LYS A 116 18.089 -11.193 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 116 20.411 -9.705 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 116 20.282 -12.076 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 116 21.154 -10.767 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.593 -12.297 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.726 -10.588 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 116 21.746 -10.829 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.512 -11.917 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 116 21.959 -13.833 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.401 -12.844 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.760 -13.715 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 22.632 -12.022 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 21.234 -12.980 0.751 1.00 0.00 H new ATOM 1837 N TRP A 117 19.160 -7.878 -3.707 1.00 0.00 N ATOM 1838 CA TRP A 117 18.861 -6.765 -4.646 1.00 0.00 C ATOM 1839 C TRP A 117 20.094 -6.511 -5.517 1.00 0.00 C ATOM 1840 O TRP A 117 21.197 -6.886 -5.169 1.00 0.00 O ATOM 1841 CB TRP A 117 18.516 -5.500 -3.860 1.00 0.00 C ATOM 1842 CG TRP A 117 17.056 -5.502 -3.547 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.530 -5.701 -2.318 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.928 -5.305 -4.451 1.00 0.00 C ATOM 1845 NE1 TRP A 117 15.152 -5.643 -2.408 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.732 -5.399 -3.702 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.825 -5.057 -5.835 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.480 -5.253 -4.300 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.569 -4.908 -6.437 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.398 -5.004 -5.673 1.00 0.00 C ATOM 0 H TRP A 117 19.003 -7.676 -2.720 1.00 0.00 H new ATOM 0 HA TRP A 117 18.011 -7.031 -5.274 1.00 0.00 H new ATOM 0 HB2 TRP A 117 19.098 -5.459 -2.939 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.775 -4.614 -4.440 1.00 0.00 H new ATOM 0 HD1 TRP A 117 17.094 -5.877 -1.414 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.522 -5.765 -1.616 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.720 -4.981 -6.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.581 -5.332 -3.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.502 -4.718 -7.498 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.434 -4.886 -6.144 1.00 0.00 H new ATOM 1861 N VAL A 118 19.921 -5.885 -6.645 1.00 0.00 N ATOM 1862 CA VAL A 118 21.086 -5.617 -7.538 1.00 0.00 C ATOM 1863 C VAL A 118 20.875 -4.285 -8.254 1.00 0.00 C ATOM 1864 O VAL A 118 19.907 -3.592 -8.019 1.00 0.00 O ATOM 1865 CB VAL A 118 21.218 -6.738 -8.577 1.00 0.00 C ATOM 1866 CG1 VAL A 118 22.263 -7.749 -8.115 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.879 -7.455 -8.743 1.00 0.00 C ATOM 0 H VAL A 118 19.023 -5.546 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 118 21.996 -5.576 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 118 21.521 -6.300 -9.528 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.353 -8.543 -8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 118 23.225 -7.250 -7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.958 -8.177 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.981 -8.249 -9.482 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.575 -7.884 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 118 19.124 -6.743 -9.077 1.00 0.00 H new ATOM 1877 N GLU A 119 21.775 -3.920 -9.128 1.00 0.00 N ATOM 1878 CA GLU A 119 21.624 -2.632 -9.860 1.00 0.00 C ATOM 1879 C GLU A 119 21.934 -2.846 -11.343 1.00 0.00 C ATOM 1880 O GLU A 119 22.925 -2.364 -11.856 1.00 0.00 O ATOM 1881 CB GLU A 119 22.593 -1.600 -9.280 1.00 0.00 C ATOM 1882 CG GLU A 119 22.241 -1.337 -7.814 1.00 0.00 C ATOM 1883 CD GLU A 119 23.464 -1.615 -6.937 1.00 0.00 C ATOM 1884 OE1 GLU A 119 24.078 -2.654 -7.121 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.767 -0.785 -6.096 1.00 0.00 O ATOM 0 H GLU A 119 22.608 -4.459 -9.366 1.00 0.00 H new ATOM 0 HA GLU A 119 20.601 -2.272 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.618 -1.963 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.538 -0.673 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.916 -0.304 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.410 -1.973 -7.509 1.00 0.00 H new ATOM 1892 N GLY A 120 21.096 -3.567 -12.036 1.00 0.00 N ATOM 1893 CA GLY A 120 21.344 -3.811 -13.485 1.00 0.00 C ATOM 1894 C GLY A 120 21.020 -2.544 -14.279 1.00 0.00 C ATOM 1895 O GLY A 120 19.916 -2.362 -14.753 1.00 0.00 O ATOM 0 H GLY A 120 20.251 -3.998 -11.662 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.384 -4.096 -13.644 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.729 -4.640 -13.836 1.00 0.00 H new