USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot -48:sc= 0.591 USER MOD Set 1.2: A 111 TYR OH : rot 180:sc= 0.536 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= -0.172 USER MOD Set 2.2: A 77 SER OG : rot 111:sc= 0.48 USER MOD Single : A 16 SER OG : rot 25:sc= 0.00615 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 31:sc= 1.01 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -129:sc= -4.32! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.24 K(o=-1.2,f=-10!) USER MOD Single : A 49 GLN : amide:sc= -0.93 K(o=-0.93,f=-2!) USER MOD Single : A 50 SER OG : rot -18:sc= 0.546 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.438 (180deg=-1.4) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.466 USER MOD Single : A 89 TYR OH : rot -153:sc= -1.02 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.22! C(o=-6.2!,f=-21!) USER MOD Single : A 98 MET CE :methyl -149:sc= -0.0272 (180deg=-1.14) USER MOD Single : A 102 SER OG : rot 75:sc= 0.329 USER MOD Single : A 105 SER OG : rot 90:sc= 0.683 USER MOD Single : A 108 SER OG : rot -130:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.503 -13.355 -2.013 1.00 0.00 N ATOM 170 CA LEU A 15 -19.108 -13.133 -1.646 1.00 0.00 C ATOM 171 C LEU A 15 -18.886 -11.690 -1.203 1.00 0.00 C ATOM 172 O LEU A 15 -19.829 -10.903 -1.123 1.00 0.00 O ATOM 173 CB LEU A 15 -18.191 -13.463 -2.825 1.00 0.00 C ATOM 174 CG LEU A 15 -17.782 -14.930 -2.968 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.411 -15.242 -4.409 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.626 -15.255 -2.034 1.00 0.00 C ATOM 0 HA LEU A 15 -18.868 -13.792 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.689 -13.154 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.286 -12.862 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.632 -15.553 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.123 -16.290 -4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.267 -15.049 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.576 -14.611 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.349 -16.303 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.772 -14.624 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.928 -15.071 -1.003 1.00 0.00 H new ATOM 188 N SER A 16 -17.633 -11.351 -0.915 1.00 0.00 N ATOM 189 CA SER A 16 -17.286 -10.005 -0.477 1.00 0.00 C ATOM 190 C SER A 16 -15.917 -9.596 -1.011 1.00 0.00 C ATOM 191 O SER A 16 -15.107 -10.428 -1.418 1.00 0.00 O ATOM 192 CB SER A 16 -17.296 -9.923 1.050 1.00 0.00 C ATOM 193 OG SER A 16 -18.576 -9.550 1.533 1.00 0.00 O ATOM 0 H SER A 16 -16.841 -11.991 -0.977 1.00 0.00 H new ATOM 0 HA SER A 16 -18.032 -9.317 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 16 -17.012 -10.888 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 16 -16.553 -9.199 1.383 1.00 0.00 H new ATOM 0 HG SER A 16 -19.259 -9.797 0.875 1.00 0.00 H new ATOM 199 N PRO A 17 -15.650 -8.281 -1.009 1.00 0.00 N ATOM 200 CA PRO A 17 -14.380 -7.730 -1.488 1.00 0.00 C ATOM 201 C PRO A 17 -13.216 -8.067 -0.563 1.00 0.00 C ATOM 202 O PRO A 17 -13.398 -8.576 0.544 1.00 0.00 O ATOM 203 CB PRO A 17 -14.631 -6.220 -1.503 1.00 0.00 C ATOM 204 CG PRO A 17 -15.702 -6.004 -0.490 1.00 0.00 C ATOM 205 CD PRO A 17 -16.570 -7.231 -0.537 1.00 0.00 C ATOM 0 HA PRO A 17 -14.099 -8.139 -2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.728 -5.666 -1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.945 -5.881 -2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.277 -5.865 0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.280 -5.108 -0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.983 -7.469 0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.413 -7.101 -1.215 1.00 0.00 H new ATOM 213 N PRO A 18 -11.990 -7.777 -1.023 1.00 0.00 N ATOM 214 CA PRO A 18 -10.772 -8.040 -0.251 1.00 0.00 C ATOM 215 C PRO A 18 -10.641 -7.121 0.959 1.00 0.00 C ATOM 216 O PRO A 18 -11.199 -6.024 0.978 1.00 0.00 O ATOM 217 CB PRO A 18 -9.649 -7.765 -1.254 1.00 0.00 C ATOM 218 CG PRO A 18 -10.241 -6.810 -2.233 1.00 0.00 C ATOM 219 CD PRO A 18 -11.698 -7.170 -2.332 1.00 0.00 C ATOM 0 HA PRO A 18 -10.760 -9.051 0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.775 -7.337 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.322 -8.682 -1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.115 -5.780 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.752 -6.892 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.317 -6.292 -2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.885 -7.867 -3.149 1.00 0.00 H new ATOM 227 N GLU A 19 -9.902 -7.576 1.965 1.00 0.00 N ATOM 228 CA GLU A 19 -9.699 -6.793 3.179 1.00 0.00 C ATOM 229 C GLU A 19 -8.351 -6.078 3.147 1.00 0.00 C ATOM 230 O GLU A 19 -7.503 -6.368 2.304 1.00 0.00 O ATOM 231 CB GLU A 19 -9.784 -7.692 4.413 1.00 0.00 C ATOM 232 CG GLU A 19 -8.503 -8.460 4.695 1.00 0.00 C ATOM 233 CD GLU A 19 -8.724 -9.641 5.622 1.00 0.00 C ATOM 234 OE1 GLU A 19 -9.832 -10.213 5.598 1.00 0.00 O ATOM 235 OE2 GLU A 19 -7.786 -9.990 6.370 1.00 0.00 O ATOM 0 H GLU A 19 -9.434 -8.482 1.964 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.487 -6.042 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.030 -7.081 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.601 -8.401 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.082 -8.815 3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.770 -7.786 5.139 1.00 0.00 H new ATOM 242 N ALA A 20 -8.161 -5.145 4.073 1.00 0.00 N ATOM 243 CA ALA A 20 -6.916 -4.390 4.154 1.00 0.00 C ATOM 244 C ALA A 20 -5.737 -5.307 4.461 1.00 0.00 C ATOM 245 O ALA A 20 -5.708 -6.001 5.478 1.00 0.00 O ATOM 246 CB ALA A 20 -7.028 -3.299 5.207 1.00 0.00 C ATOM 0 H ALA A 20 -8.853 -4.893 4.778 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.738 -3.926 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.091 -2.744 5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.839 -2.620 4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.234 -3.750 6.178 1.00 0.00 H new ATOM 252 N PRO A 21 -4.741 -5.314 3.563 1.00 0.00 N ATOM 253 CA PRO A 21 -3.541 -6.142 3.718 1.00 0.00 C ATOM 254 C PRO A 21 -2.646 -5.659 4.853 1.00 0.00 C ATOM 255 O PRO A 21 -2.757 -4.518 5.301 1.00 0.00 O ATOM 256 CB PRO A 21 -2.828 -5.987 2.372 1.00 0.00 C ATOM 257 CG PRO A 21 -3.294 -4.675 1.844 1.00 0.00 C ATOM 258 CD PRO A 21 -4.709 -4.513 2.328 1.00 0.00 C ATOM 0 HA PRO A 21 -3.787 -7.174 3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.745 -6.002 2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.084 -6.800 1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.663 -3.863 2.205 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.249 -4.654 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.951 -3.468 2.521 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.429 -4.877 1.595 1.00 0.00 H new ATOM 266 N ASP A 22 -1.759 -6.534 5.313 1.00 0.00 N ATOM 267 CA ASP A 22 -0.842 -6.196 6.397 1.00 0.00 C ATOM 268 C ASP A 22 -0.192 -4.837 6.155 1.00 0.00 C ATOM 269 O ASP A 22 -0.387 -4.223 5.105 1.00 0.00 O ATOM 270 CB ASP A 22 0.235 -7.272 6.537 1.00 0.00 C ATOM 271 CG ASP A 22 0.762 -7.383 7.954 1.00 0.00 C ATOM 272 OD1 ASP A 22 -0.062 -7.503 8.885 1.00 0.00 O ATOM 273 OD2 ASP A 22 1.997 -7.348 8.133 1.00 0.00 O ATOM 0 H ASP A 22 -1.655 -7.483 4.953 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.416 -6.145 7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.174 -8.234 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.061 -7.046 5.862 1.00 0.00 H new ATOM 278 N ARG A 23 0.579 -4.373 7.132 1.00 0.00 N ATOM 279 CA ARG A 23 1.255 -3.085 7.025 1.00 0.00 C ATOM 280 C ARG A 23 2.523 -3.205 6.184 1.00 0.00 C ATOM 281 O ARG A 23 3.411 -4.011 6.466 1.00 0.00 O ATOM 282 CB ARG A 23 1.603 -2.552 8.417 1.00 0.00 C ATOM 283 CG ARG A 23 2.135 -1.128 8.407 1.00 0.00 C ATOM 284 CD ARG A 23 2.813 -0.778 9.722 1.00 0.00 C ATOM 285 NE ARG A 23 1.877 -0.204 10.686 1.00 0.00 N ATOM 286 CZ ARG A 23 2.104 -0.160 11.994 1.00 0.00 C ATOM 287 NH1 ARG A 23 3.230 -0.653 12.492 1.00 0.00 N ATOM 288 NH2 ARG A 23 1.204 0.378 12.807 1.00 0.00 N ATOM 0 H ARG A 23 0.752 -4.869 8.006 1.00 0.00 H new ATOM 0 HA ARG A 23 0.578 -2.386 6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.714 -2.595 9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.347 -3.206 8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.844 -1.009 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.315 -0.433 8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.266 -1.674 10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.621 -0.070 9.536 1.00 0.00 H new ATOM 0 HE ARG A 23 1.001 0.184 10.335 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.924 -1.067 11.870 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.402 -0.618 13.497 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.337 0.758 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.379 0.411 13.811 1.00 0.00 H new ATOM 302 N PRO A 24 2.610 -2.387 5.126 1.00 0.00 N ATOM 303 CA PRO A 24 3.763 -2.382 4.222 1.00 0.00 C ATOM 304 C PRO A 24 5.017 -1.819 4.883 1.00 0.00 C ATOM 305 O PRO A 24 4.949 -0.851 5.642 1.00 0.00 O ATOM 306 CB PRO A 24 3.312 -1.475 3.074 1.00 0.00 C ATOM 307 CG PRO A 24 2.285 -0.581 3.680 1.00 0.00 C ATOM 308 CD PRO A 24 1.589 -1.402 4.730 1.00 0.00 C ATOM 0 HA PRO A 24 4.036 -3.389 3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.147 -0.902 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.896 -2.055 2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.747 0.303 4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.579 -0.231 2.927 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.273 -0.790 5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.696 -1.886 4.335 1.00 0.00 H new ATOM 316 N THR A 25 6.161 -2.431 4.592 1.00 0.00 N ATOM 317 CA THR A 25 7.429 -1.991 5.159 1.00 0.00 C ATOM 318 C THR A 25 8.143 -1.022 4.224 1.00 0.00 C ATOM 319 O THR A 25 7.915 -1.030 3.014 1.00 0.00 O ATOM 320 CB THR A 25 8.358 -3.184 5.450 1.00 0.00 C ATOM 321 OG1 THR A 25 9.332 -2.819 6.434 1.00 0.00 O ATOM 322 CG2 THR A 25 9.060 -3.646 4.182 1.00 0.00 C ATOM 0 H THR A 25 6.235 -3.233 3.966 1.00 0.00 H new ATOM 0 HA THR A 25 7.197 -1.483 6.095 1.00 0.00 H new ATOM 0 HB THR A 25 7.749 -4.005 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.917 -3.584 6.614 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.711 -4.489 4.413 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.317 -3.952 3.446 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.656 -2.828 3.778 1.00 0.00 H new ATOM 330 N ILE A 26 9.008 -0.189 4.792 1.00 0.00 N ATOM 331 CA ILE A 26 9.756 0.786 4.008 1.00 0.00 C ATOM 332 C ILE A 26 11.256 0.519 4.087 1.00 0.00 C ATOM 333 O ILE A 26 11.817 0.389 5.174 1.00 0.00 O ATOM 334 CB ILE A 26 9.477 2.225 4.480 1.00 0.00 C ATOM 335 CG1 ILE A 26 7.970 2.483 4.533 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.161 3.226 3.563 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.234 2.023 3.293 1.00 0.00 C ATOM 0 H ILE A 26 9.208 -0.170 5.792 1.00 0.00 H new ATOM 0 HA ILE A 26 9.423 0.682 2.975 1.00 0.00 H new ATOM 0 HB ILE A 26 9.883 2.348 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.553 1.975 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.797 3.550 4.674 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.954 4.238 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.237 3.052 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.783 3.106 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.171 2.237 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.624 2.550 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.376 0.950 3.162 1.00 0.00 H new ATOM 349 N SER A 27 11.900 0.441 2.926 1.00 0.00 N ATOM 350 CA SER A 27 13.335 0.188 2.864 1.00 0.00 C ATOM 351 C SER A 27 14.016 1.162 1.907 1.00 0.00 C ATOM 352 O SER A 27 13.359 1.973 1.253 1.00 0.00 O ATOM 353 CB SER A 27 13.601 -1.251 2.420 1.00 0.00 C ATOM 354 OG SER A 27 13.655 -2.126 3.532 1.00 0.00 O ATOM 0 H SER A 27 11.451 0.549 2.017 1.00 0.00 H new ATOM 0 HA SER A 27 13.750 0.335 3.861 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.816 -1.575 1.736 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.541 -1.297 1.871 1.00 0.00 H new ATOM 0 HG SER A 27 13.824 -3.040 3.221 1.00 0.00 H new ATOM 360 N THR A 28 15.340 1.077 1.831 1.00 0.00 N ATOM 361 CA THR A 28 16.114 1.950 0.956 1.00 0.00 C ATOM 362 C THR A 28 16.358 1.296 -0.399 1.00 0.00 C ATOM 363 O THR A 28 17.107 0.326 -0.504 1.00 0.00 O ATOM 364 CB THR A 28 17.470 2.319 1.586 1.00 0.00 C ATOM 365 OG1 THR A 28 17.264 2.977 2.841 1.00 0.00 O ATOM 366 CG2 THR A 28 18.270 3.222 0.659 1.00 0.00 C ATOM 0 H THR A 28 15.900 0.412 2.365 1.00 0.00 H new ATOM 0 HA THR A 28 15.527 2.858 0.818 1.00 0.00 H new ATOM 0 HB THR A 28 18.033 1.400 1.746 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.590 3.681 2.735 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.224 3.469 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.450 2.707 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.710 4.138 0.471 1.00 0.00 H new ATOM 374 N ALA A 29 15.719 1.834 -1.433 1.00 0.00 N ATOM 375 CA ALA A 29 15.869 1.302 -2.783 1.00 0.00 C ATOM 376 C ALA A 29 16.612 2.286 -3.680 1.00 0.00 C ATOM 377 O ALA A 29 17.424 1.888 -4.515 1.00 0.00 O ATOM 378 CB ALA A 29 14.507 0.972 -3.374 1.00 0.00 C ATOM 0 H ALA A 29 15.093 2.637 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 29 16.459 0.387 -2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.634 0.576 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.011 0.228 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.899 1.876 -3.413 1.00 0.00 H new ATOM 384 N SER A 30 16.330 3.573 -3.502 1.00 0.00 N ATOM 385 CA SER A 30 16.968 4.613 -4.300 1.00 0.00 C ATOM 386 C SER A 30 16.838 5.974 -3.622 1.00 0.00 C ATOM 387 O SER A 30 16.276 6.085 -2.534 1.00 0.00 O ATOM 388 CB SER A 30 16.349 4.666 -5.698 1.00 0.00 C ATOM 389 OG SER A 30 16.922 3.686 -6.546 1.00 0.00 O ATOM 0 H SER A 30 15.664 3.920 -2.812 1.00 0.00 H new ATOM 0 HA SER A 30 18.027 4.370 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.273 4.508 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.499 5.656 -6.128 1.00 0.00 H new ATOM 0 HG SER A 30 17.193 2.910 -6.013 1.00 0.00 H new ATOM 395 N GLU A 31 17.363 7.006 -4.275 1.00 0.00 N ATOM 396 CA GLU A 31 17.306 8.359 -3.734 1.00 0.00 C ATOM 397 C GLU A 31 15.983 9.032 -4.089 1.00 0.00 C ATOM 398 O GLU A 31 15.621 10.058 -3.514 1.00 0.00 O ATOM 399 CB GLU A 31 18.474 9.194 -4.267 1.00 0.00 C ATOM 400 CG GLU A 31 18.396 9.466 -5.760 1.00 0.00 C ATOM 401 CD GLU A 31 18.915 8.309 -6.592 1.00 0.00 C ATOM 402 OE1 GLU A 31 20.141 8.247 -6.820 1.00 0.00 O ATOM 403 OE2 GLU A 31 18.095 7.468 -7.015 1.00 0.00 O ATOM 0 H GLU A 31 17.832 6.931 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 31 17.380 8.292 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.503 10.144 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.409 8.677 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.361 9.671 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.971 10.362 -5.993 1.00 0.00 H new ATOM 410 N THR A 32 15.264 8.444 -5.042 1.00 0.00 N ATOM 411 CA THR A 32 13.982 8.986 -5.474 1.00 0.00 C ATOM 412 C THR A 32 12.862 7.968 -5.285 1.00 0.00 C ATOM 413 O THR A 32 11.704 8.241 -5.594 1.00 0.00 O ATOM 414 CB THR A 32 14.025 9.417 -6.953 1.00 0.00 C ATOM 415 OG1 THR A 32 14.560 8.359 -7.755 1.00 0.00 O ATOM 416 CG2 THR A 32 14.869 10.670 -7.127 1.00 0.00 C ATOM 0 H THR A 32 15.548 7.594 -5.528 1.00 0.00 H new ATOM 0 HA THR A 32 13.783 9.860 -4.854 1.00 0.00 H new ATOM 0 HB THR A 32 13.007 9.637 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.583 8.639 -8.694 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.885 10.955 -8.179 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.442 11.481 -6.538 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.887 10.473 -6.789 1.00 0.00 H new ATOM 424 N SER A 33 13.218 6.792 -4.776 1.00 0.00 N ATOM 425 CA SER A 33 12.243 5.732 -4.549 1.00 0.00 C ATOM 426 C SER A 33 12.603 4.920 -3.308 1.00 0.00 C ATOM 427 O SER A 33 13.665 5.110 -2.714 1.00 0.00 O ATOM 428 CB SER A 33 12.166 4.812 -5.769 1.00 0.00 C ATOM 429 OG SER A 33 13.150 3.794 -5.704 1.00 0.00 O ATOM 0 H SER A 33 14.173 6.550 -4.513 1.00 0.00 H new ATOM 0 HA SER A 33 11.269 6.195 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.175 4.361 -5.826 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.303 5.397 -6.679 1.00 0.00 H new ATOM 0 HG SER A 33 13.651 3.769 -6.546 1.00 0.00 H new ATOM 435 N VAL A 34 11.710 4.016 -2.921 1.00 0.00 N ATOM 436 CA VAL A 34 11.931 3.173 -1.752 1.00 0.00 C ATOM 437 C VAL A 34 11.263 1.813 -1.919 1.00 0.00 C ATOM 438 O VAL A 34 10.205 1.702 -2.538 1.00 0.00 O ATOM 439 CB VAL A 34 11.398 3.841 -0.471 1.00 0.00 C ATOM 440 CG1 VAL A 34 12.095 5.171 -0.231 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.890 4.028 -0.556 1.00 0.00 C ATOM 0 H VAL A 34 10.825 3.848 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 34 13.008 3.035 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 34 11.614 3.188 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.705 5.627 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.167 5.006 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.914 5.835 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.530 4.501 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.649 4.660 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.409 3.057 -0.675 1.00 0.00 H new ATOM 451 N TYR A 35 11.889 0.781 -1.364 1.00 0.00 N ATOM 452 CA TYR A 35 11.357 -0.573 -1.454 1.00 0.00 C ATOM 453 C TYR A 35 10.201 -0.770 -0.477 1.00 0.00 C ATOM 454 O TYR A 35 10.352 -0.571 0.729 1.00 0.00 O ATOM 455 CB TYR A 35 12.458 -1.597 -1.172 1.00 0.00 C ATOM 456 CG TYR A 35 13.363 -1.854 -2.354 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.838 -2.117 -3.612 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.746 -1.831 -2.213 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.662 -2.353 -4.696 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.578 -2.065 -3.291 1.00 0.00 C ATOM 461 CZ TYR A 35 15.031 -2.326 -4.530 1.00 0.00 C ATOM 462 OH TYR A 35 15.855 -2.558 -5.607 1.00 0.00 O ATOM 0 H TYR A 35 12.765 0.857 -0.847 1.00 0.00 H new ATOM 0 HA TYR A 35 10.983 -0.722 -2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.060 -1.248 -0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.999 -2.537 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.767 -2.138 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.177 -1.627 -1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.237 -2.557 -5.667 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.650 -2.044 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 35 16.791 -2.502 -5.321 1.00 0.00 H new ATOM 472 N VAL A 36 9.047 -1.162 -1.006 1.00 0.00 N ATOM 473 CA VAL A 36 7.866 -1.389 -0.183 1.00 0.00 C ATOM 474 C VAL A 36 7.388 -2.832 -0.291 1.00 0.00 C ATOM 475 O VAL A 36 7.126 -3.332 -1.386 1.00 0.00 O ATOM 476 CB VAL A 36 6.714 -0.448 -0.584 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.481 -0.719 0.266 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.146 1.006 -0.461 1.00 0.00 C ATOM 0 H VAL A 36 8.905 -1.329 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 36 8.155 -1.182 0.847 1.00 0.00 H new ATOM 0 HB VAL A 36 6.458 -0.641 -1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.678 -0.045 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.160 -1.751 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.720 -0.556 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.320 1.657 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.431 1.215 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.997 1.189 -1.117 1.00 0.00 H new ATOM 488 N THR A 37 7.277 -3.500 0.853 1.00 0.00 N ATOM 489 CA THR A 37 6.832 -4.887 0.888 1.00 0.00 C ATOM 490 C THR A 37 5.664 -5.066 1.852 1.00 0.00 C ATOM 491 O THR A 37 5.769 -4.742 3.035 1.00 0.00 O ATOM 492 CB THR A 37 7.975 -5.834 1.302 1.00 0.00 C ATOM 493 OG1 THR A 37 9.102 -5.648 0.439 1.00 0.00 O ATOM 494 CG2 THR A 37 7.522 -7.285 1.249 1.00 0.00 C ATOM 0 H THR A 37 7.489 -3.102 1.768 1.00 0.00 H new ATOM 0 HA THR A 37 6.508 -5.140 -0.122 1.00 0.00 H new ATOM 0 HB THR A 37 8.260 -5.597 2.327 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.825 -6.252 0.710 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.346 -7.934 1.545 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.683 -7.429 1.930 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.212 -7.533 0.234 1.00 0.00 H new ATOM 502 N TRP A 38 4.555 -5.585 1.339 1.00 0.00 N ATOM 503 CA TRP A 38 3.367 -5.808 2.155 1.00 0.00 C ATOM 504 C TRP A 38 2.973 -7.280 2.153 1.00 0.00 C ATOM 505 O TRP A 38 3.526 -8.079 1.397 1.00 0.00 O ATOM 506 CB TRP A 38 2.204 -4.955 1.645 1.00 0.00 C ATOM 507 CG TRP A 38 1.737 -5.347 0.275 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.631 -6.088 -0.032 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.363 -5.021 -0.970 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.532 -6.241 -1.394 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.582 -5.596 -1.991 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.506 -4.299 -1.322 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.910 -5.470 -3.338 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.831 -4.175 -2.659 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.035 -4.758 -3.655 1.00 0.00 C ATOM 0 H TRP A 38 4.453 -5.859 0.362 1.00 0.00 H new ATOM 0 HA TRP A 38 3.601 -5.516 3.179 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.370 -5.036 2.342 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.508 -3.908 1.632 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.063 -6.494 0.689 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.204 -6.752 -1.881 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.125 -3.846 -0.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.298 -5.919 -4.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.713 -3.620 -2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.315 -4.643 -4.692 1.00 0.00 H new ATOM 526 N ILE A 39 2.015 -7.634 3.003 1.00 0.00 N ATOM 527 CA ILE A 39 1.546 -9.010 3.097 1.00 0.00 C ATOM 528 C ILE A 39 0.023 -9.072 3.147 1.00 0.00 C ATOM 529 O ILE A 39 -0.603 -8.751 4.158 1.00 0.00 O ATOM 530 CB ILE A 39 2.118 -9.717 4.340 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.630 -9.497 4.428 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.796 -11.203 4.301 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.405 -10.181 3.324 1.00 0.00 C ATOM 0 H ILE A 39 1.548 -6.986 3.637 1.00 0.00 H new ATOM 0 HA ILE A 39 1.898 -9.523 2.202 1.00 0.00 H new ATOM 0 HB ILE A 39 1.654 -9.288 5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.836 -8.427 4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.987 -9.862 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.207 -11.688 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.715 -11.341 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.235 -11.647 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.469 -9.982 3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.229 -11.256 3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.076 -9.799 2.358 1.00 0.00 H new ATOM 545 N PRO A 40 -0.590 -9.494 2.031 1.00 0.00 N ATOM 546 CA PRO A 40 -2.047 -9.610 1.923 1.00 0.00 C ATOM 547 C PRO A 40 -2.603 -10.745 2.775 1.00 0.00 C ATOM 548 O PRO A 40 -1.985 -11.803 2.898 1.00 0.00 O ATOM 549 CB PRO A 40 -2.271 -9.898 0.437 1.00 0.00 C ATOM 550 CG PRO A 40 -1.002 -10.528 -0.023 1.00 0.00 C ATOM 551 CD PRO A 40 0.094 -9.892 0.788 1.00 0.00 C ATOM 0 HA PRO A 40 -2.554 -8.713 2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.121 -10.564 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.482 -8.983 -0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.024 -11.607 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.847 -10.360 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.907 -10.591 0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.527 -9.033 0.275 1.00 0.00 H new ATOM 559 N ARG A 41 -3.774 -10.519 3.363 1.00 0.00 N ATOM 560 CA ARG A 41 -4.412 -11.524 4.205 1.00 0.00 C ATOM 561 C ARG A 41 -5.677 -12.062 3.543 1.00 0.00 C ATOM 562 O ARG A 41 -5.719 -13.209 3.099 1.00 0.00 O ATOM 563 CB ARG A 41 -4.752 -10.932 5.574 1.00 0.00 C ATOM 564 CG ARG A 41 -3.761 -9.880 6.046 1.00 0.00 C ATOM 565 CD ARG A 41 -2.365 -10.462 6.204 1.00 0.00 C ATOM 566 NE ARG A 41 -2.126 -10.952 7.558 1.00 0.00 N ATOM 567 CZ ARG A 41 -1.195 -11.850 7.861 1.00 0.00 C ATOM 568 NH1 ARG A 41 -0.420 -12.352 6.910 1.00 0.00 N ATOM 569 NH2 ARG A 41 -1.039 -12.246 9.117 1.00 0.00 N ATOM 0 H ARG A 41 -4.299 -9.650 3.272 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.712 -12.349 4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.747 -10.489 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.792 -11.736 6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.735 -9.057 5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.094 -9.466 6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.230 -11.278 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.625 -9.700 5.958 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.705 -10.585 8.313 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.538 -12.049 5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.294 -13.041 7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.634 -11.861 9.851 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.324 -12.935 9.349 1.00 0.00 H new ATOM 583 N GLY A 42 -6.709 -11.226 3.483 1.00 0.00 N ATOM 584 CA GLY A 42 -7.962 -11.637 2.874 1.00 0.00 C ATOM 585 C GLY A 42 -8.173 -11.017 1.507 1.00 0.00 C ATOM 586 O GLY A 42 -7.804 -9.867 1.276 1.00 0.00 O ATOM 0 H GLY A 42 -6.701 -10.272 3.845 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.979 -12.723 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.789 -11.358 3.527 1.00 0.00 H new ATOM 590 N ASN A 43 -8.768 -11.783 0.599 1.00 0.00 N ATOM 591 CA ASN A 43 -9.026 -11.303 -0.754 1.00 0.00 C ATOM 592 C ASN A 43 -10.525 -11.224 -1.027 1.00 0.00 C ATOM 593 O ASN A 43 -10.953 -11.147 -2.178 1.00 0.00 O ATOM 594 CB ASN A 43 -8.357 -12.221 -1.779 1.00 0.00 C ATOM 595 CG ASN A 43 -8.814 -13.662 -1.650 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.795 -13.955 -0.966 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.102 -14.569 -2.309 1.00 0.00 N ATOM 0 H ASN A 43 -9.080 -12.738 0.775 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.605 -10.301 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.578 -11.861 -2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.275 -12.173 -1.654 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.361 -15.554 -2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.296 -14.280 -2.864 1.00 0.00 H new ATOM 604 N GLY A 44 -11.317 -11.243 0.040 1.00 0.00 N ATOM 605 CA GLY A 44 -12.760 -11.172 -0.105 1.00 0.00 C ATOM 606 C GLY A 44 -13.360 -12.485 -0.569 1.00 0.00 C ATOM 607 O GLY A 44 -14.580 -12.629 -0.631 1.00 0.00 O ATOM 0 H GLY A 44 -10.986 -11.306 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.205 -10.890 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.012 -10.388 -0.819 1.00 0.00 H new ATOM 611 N GLY A 45 -12.501 -13.445 -0.897 1.00 0.00 N ATOM 612 CA GLY A 45 -12.973 -14.738 -1.356 1.00 0.00 C ATOM 613 C GLY A 45 -12.536 -15.045 -2.775 1.00 0.00 C ATOM 614 O GLY A 45 -12.530 -16.203 -3.194 1.00 0.00 O ATOM 0 H GLY A 45 -11.486 -13.350 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.601 -15.515 -0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.061 -14.765 -1.301 1.00 0.00 H new ATOM 618 N PHE A 46 -12.171 -14.006 -3.518 1.00 0.00 N ATOM 619 CA PHE A 46 -11.732 -14.169 -4.899 1.00 0.00 C ATOM 620 C PHE A 46 -10.248 -13.847 -5.040 1.00 0.00 C ATOM 621 O PHE A 46 -9.638 -13.215 -4.178 1.00 0.00 O ATOM 622 CB PHE A 46 -12.552 -13.269 -5.826 1.00 0.00 C ATOM 623 CG PHE A 46 -13.753 -13.951 -6.415 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.654 -15.231 -6.936 1.00 0.00 C ATOM 625 CD2 PHE A 46 -14.982 -13.312 -6.449 1.00 0.00 C ATOM 626 CE1 PHE A 46 -14.758 -15.860 -7.479 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.090 -13.936 -6.991 1.00 0.00 C ATOM 628 CZ PHE A 46 -15.978 -15.212 -7.505 1.00 0.00 C ATOM 0 H PHE A 46 -12.170 -13.041 -3.187 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.888 -15.210 -5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.879 -12.390 -5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.912 -12.915 -6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.703 -15.743 -6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.075 -12.314 -6.047 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.667 -16.858 -7.883 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.042 -13.426 -7.012 1.00 0.00 H new ATOM 0 HZ PHE A 46 -16.842 -15.703 -7.927 1.00 0.00 H new ATOM 638 N PRO A 47 -9.650 -14.293 -6.155 1.00 0.00 N ATOM 639 CA PRO A 47 -8.230 -14.065 -6.437 1.00 0.00 C ATOM 640 C PRO A 47 -7.927 -12.602 -6.743 1.00 0.00 C ATOM 641 O PRO A 47 -8.408 -12.053 -7.735 1.00 0.00 O ATOM 642 CB PRO A 47 -7.969 -14.933 -7.671 1.00 0.00 C ATOM 643 CG PRO A 47 -9.297 -15.058 -8.334 1.00 0.00 C ATOM 644 CD PRO A 47 -10.315 -15.054 -7.227 1.00 0.00 C ATOM 0 HA PRO A 47 -7.601 -14.314 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.238 -14.470 -8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.573 -15.909 -7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.468 -14.232 -9.024 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.357 -15.977 -8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.246 -14.580 -7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.564 -16.066 -6.907 1.00 0.00 H new ATOM 652 N ILE A 48 -7.128 -11.976 -5.885 1.00 0.00 N ATOM 653 CA ILE A 48 -6.760 -10.577 -6.065 1.00 0.00 C ATOM 654 C ILE A 48 -6.304 -10.308 -7.495 1.00 0.00 C ATOM 655 O ILE A 48 -5.386 -10.957 -7.995 1.00 0.00 O ATOM 656 CB ILE A 48 -5.641 -10.159 -5.093 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.117 -10.294 -3.645 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.195 -8.734 -5.380 1.00 0.00 C ATOM 659 CD1 ILE A 48 -5.014 -10.101 -2.626 1.00 0.00 C ATOM 0 H ILE A 48 -6.723 -12.416 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.652 -9.987 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.787 -10.821 -5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.904 -9.563 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.560 -11.280 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.404 -8.453 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.820 -8.669 -6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.041 -8.057 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.423 -10.210 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.237 -10.849 -2.785 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.586 -9.105 -2.737 1.00 0.00 H new ATOM 671 N GLN A 49 -6.951 -9.346 -8.145 1.00 0.00 N ATOM 672 CA GLN A 49 -6.610 -8.990 -9.518 1.00 0.00 C ATOM 673 C GLN A 49 -5.367 -8.107 -9.558 1.00 0.00 C ATOM 674 O GLN A 49 -4.456 -8.337 -10.354 1.00 0.00 O ATOM 675 CB GLN A 49 -7.782 -8.272 -10.187 1.00 0.00 C ATOM 676 CG GLN A 49 -8.934 -9.195 -10.549 1.00 0.00 C ATOM 677 CD GLN A 49 -9.737 -8.691 -11.732 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.245 -7.903 -12.541 1.00 0.00 O ATOM 679 NE2 GLN A 49 -10.981 -9.142 -11.839 1.00 0.00 N ATOM 0 H GLN A 49 -7.713 -8.800 -7.744 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.398 -9.910 -10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.148 -7.492 -9.520 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.426 -7.777 -11.091 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.542 -10.186 -10.777 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.593 -9.303 -9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.348 -9.794 -11.146 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.569 -8.836 -12.614 1.00 0.00 H new ATOM 688 N SER A 50 -5.338 -7.096 -8.697 1.00 0.00 N ATOM 689 CA SER A 50 -4.208 -6.174 -8.637 1.00 0.00 C ATOM 690 C SER A 50 -4.215 -5.391 -7.328 1.00 0.00 C ATOM 691 O SER A 50 -5.236 -5.312 -6.644 1.00 0.00 O ATOM 692 CB SER A 50 -4.247 -5.210 -9.823 1.00 0.00 C ATOM 693 OG SER A 50 -4.246 -5.912 -11.053 1.00 0.00 O ATOM 0 H SER A 50 -6.083 -6.893 -8.031 1.00 0.00 H new ATOM 0 HA SER A 50 -3.289 -6.759 -8.684 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.138 -4.585 -9.758 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.386 -4.543 -9.781 1.00 0.00 H new ATOM 0 HG SER A 50 -3.942 -6.832 -10.904 1.00 0.00 H new ATOM 699 N PHE A 51 -3.069 -4.812 -6.986 1.00 0.00 N ATOM 700 CA PHE A 51 -2.941 -4.034 -5.760 1.00 0.00 C ATOM 701 C PHE A 51 -2.821 -2.546 -6.069 1.00 0.00 C ATOM 702 O PHE A 51 -2.752 -2.145 -7.231 1.00 0.00 O ATOM 703 CB PHE A 51 -1.722 -4.500 -4.960 1.00 0.00 C ATOM 704 CG PHE A 51 -1.907 -5.843 -4.313 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.876 -6.030 -3.340 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.112 -6.917 -4.676 1.00 0.00 C ATOM 707 CE1 PHE A 51 -3.049 -7.264 -2.742 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.281 -8.155 -4.083 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.249 -8.328 -3.113 1.00 0.00 C ATOM 0 H PHE A 51 -2.215 -4.867 -7.541 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.840 -4.192 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.857 -4.541 -5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.499 -3.762 -4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.503 -5.202 -3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.351 -6.786 -5.431 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.808 -7.397 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.657 -8.986 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.380 -9.293 -2.646 1.00 0.00 H new ATOM 719 N ARG A 52 -2.797 -1.729 -5.021 1.00 0.00 N ATOM 720 CA ARG A 52 -2.688 -0.284 -5.179 1.00 0.00 C ATOM 721 C ARG A 52 -1.920 0.335 -4.014 1.00 0.00 C ATOM 722 O ARG A 52 -2.326 0.217 -2.858 1.00 0.00 O ATOM 723 CB ARG A 52 -4.078 0.347 -5.280 1.00 0.00 C ATOM 724 CG ARG A 52 -4.666 0.302 -6.680 1.00 0.00 C ATOM 725 CD ARG A 52 -5.859 1.238 -6.813 1.00 0.00 C ATOM 726 NE ARG A 52 -6.240 1.443 -8.208 1.00 0.00 N ATOM 727 CZ ARG A 52 -7.405 1.964 -8.582 1.00 0.00 C ATOM 728 NH1 ARG A 52 -8.296 2.327 -7.671 1.00 0.00 N ATOM 729 NH2 ARG A 52 -7.678 2.120 -9.871 1.00 0.00 N ATOM 0 H ARG A 52 -2.852 -2.044 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.139 -0.086 -6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.752 -0.168 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.021 1.385 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.902 0.579 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.974 -0.717 -6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.705 0.827 -6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.619 2.199 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.577 1.172 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.089 2.207 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.189 2.726 -7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.994 1.840 -10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.571 2.520 -10.158 1.00 0.00 H new ATOM 743 N VAL A 53 -0.809 0.993 -4.329 1.00 0.00 N ATOM 744 CA VAL A 53 0.016 1.631 -3.309 1.00 0.00 C ATOM 745 C VAL A 53 -0.186 3.143 -3.306 1.00 0.00 C ATOM 746 O VAL A 53 -0.146 3.785 -4.355 1.00 0.00 O ATOM 747 CB VAL A 53 1.510 1.323 -3.522 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.332 1.829 -2.347 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.721 -0.169 -3.728 1.00 0.00 C ATOM 0 H VAL A 53 -0.459 1.098 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.297 1.224 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 53 1.846 1.842 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.385 1.602 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.204 2.907 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.997 1.341 -1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.782 -0.369 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.369 -0.711 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.163 -0.498 -4.605 1.00 0.00 H new ATOM 759 N GLU A 54 -0.401 3.703 -2.120 1.00 0.00 N ATOM 760 CA GLU A 54 -0.608 5.139 -1.981 1.00 0.00 C ATOM 761 C GLU A 54 0.267 5.711 -0.869 1.00 0.00 C ATOM 762 O GLU A 54 0.747 4.977 -0.004 1.00 0.00 O ATOM 763 CB GLU A 54 -2.080 5.440 -1.691 1.00 0.00 C ATOM 764 CG GLU A 54 -3.008 5.102 -2.846 1.00 0.00 C ATOM 765 CD GLU A 54 -3.503 3.669 -2.797 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.517 3.415 -2.115 1.00 0.00 O ATOM 767 OE2 GLU A 54 -2.876 2.803 -3.442 1.00 0.00 O ATOM 0 H GLU A 54 -0.436 3.184 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.326 5.612 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.390 4.878 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.185 6.497 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.863 5.778 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.486 5.270 -3.788 1.00 0.00 H new ATOM 774 N TYR A 55 0.470 7.023 -0.898 1.00 0.00 N ATOM 775 CA TYR A 55 1.290 7.693 0.104 1.00 0.00 C ATOM 776 C TYR A 55 0.660 9.017 0.527 1.00 0.00 C ATOM 777 O TYR A 55 -0.362 9.434 -0.019 1.00 0.00 O ATOM 778 CB TYR A 55 2.700 7.935 -0.437 1.00 0.00 C ATOM 779 CG TYR A 55 2.723 8.671 -1.757 1.00 0.00 C ATOM 780 CD1 TYR A 55 2.476 10.038 -1.817 1.00 0.00 C ATOM 781 CD2 TYR A 55 2.990 8.001 -2.944 1.00 0.00 C ATOM 782 CE1 TYR A 55 2.496 10.714 -3.022 1.00 0.00 C ATOM 783 CE2 TYR A 55 3.014 8.670 -4.152 1.00 0.00 C ATOM 784 CZ TYR A 55 2.765 10.026 -4.186 1.00 0.00 C ATOM 785 OH TYR A 55 2.787 10.696 -5.388 1.00 0.00 O ATOM 0 H TYR A 55 0.078 7.644 -1.605 1.00 0.00 H new ATOM 0 HA TYR A 55 1.351 7.045 0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.269 8.505 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.204 6.976 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.265 10.580 -0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.182 6.938 -2.922 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.302 11.776 -3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.227 8.134 -5.065 1.00 0.00 H new ATOM 0 HH TYR A 55 2.993 10.066 -6.110 1.00 0.00 H new ATOM 795 N LYS A 56 1.279 9.675 1.500 1.00 0.00 N ATOM 796 CA LYS A 56 0.783 10.953 1.997 1.00 0.00 C ATOM 797 C LYS A 56 1.936 11.855 2.425 1.00 0.00 C ATOM 798 O LYS A 56 2.857 11.417 3.116 1.00 0.00 O ATOM 799 CB LYS A 56 -0.170 10.732 3.173 1.00 0.00 C ATOM 800 CG LYS A 56 -0.481 11.999 3.951 1.00 0.00 C ATOM 801 CD LYS A 56 -1.591 11.774 4.963 1.00 0.00 C ATOM 802 CE LYS A 56 -1.047 11.241 6.279 1.00 0.00 C ATOM 803 NZ LYS A 56 -0.635 12.341 7.196 1.00 0.00 N ATOM 0 H LYS A 56 2.127 9.344 1.961 1.00 0.00 H new ATOM 0 HA LYS A 56 0.242 11.444 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.102 10.307 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.266 9.998 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.417 12.341 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.773 12.789 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.119 12.711 5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.318 11.070 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.807 10.629 6.765 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.193 10.593 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.009 11.966 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.150 13.083 6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.477 12.743 7.656 1.00 0.00 H new ATOM 817 N LYS A 57 1.880 13.117 2.012 1.00 0.00 N ATOM 818 CA LYS A 57 2.918 14.081 2.356 1.00 0.00 C ATOM 819 C LYS A 57 2.694 14.647 3.754 1.00 0.00 C ATOM 820 O LYS A 57 1.674 15.282 4.022 1.00 0.00 O ATOM 821 CB LYS A 57 2.943 15.219 1.332 1.00 0.00 C ATOM 822 CG LYS A 57 3.615 14.844 0.022 1.00 0.00 C ATOM 823 CD LYS A 57 3.059 15.650 -1.140 1.00 0.00 C ATOM 824 CE LYS A 57 3.185 14.893 -2.454 1.00 0.00 C ATOM 825 NZ LYS A 57 3.100 15.804 -3.629 1.00 0.00 N ATOM 0 H LYS A 57 1.126 13.496 1.438 1.00 0.00 H new ATOM 0 HA LYS A 57 3.878 13.565 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.920 15.536 1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.461 16.075 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.689 15.012 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.472 13.781 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.011 15.885 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.590 16.599 -1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.135 14.359 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.397 14.143 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.190 15.250 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.183 16.295 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.868 16.504 -3.582 1.00 0.00 H new ATOM 839 N LEU A 58 3.654 14.413 4.642 1.00 0.00 N ATOM 840 CA LEU A 58 3.563 14.902 6.014 1.00 0.00 C ATOM 841 C LEU A 58 4.092 16.328 6.121 1.00 0.00 C ATOM 842 O LEU A 58 3.500 17.173 6.793 1.00 0.00 O ATOM 843 CB LEU A 58 4.344 13.984 6.956 1.00 0.00 C ATOM 844 CG LEU A 58 3.958 12.504 6.924 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.832 11.704 7.878 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.487 12.330 7.273 1.00 0.00 C ATOM 0 H LEU A 58 4.504 13.888 4.437 1.00 0.00 H new ATOM 0 HA LEU A 58 2.512 14.902 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.404 14.068 6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.218 14.350 7.975 1.00 0.00 H new ATOM 0 HG LEU A 58 4.119 12.127 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.543 10.654 7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.877 11.803 7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.703 12.081 8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.229 11.271 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.301 12.723 8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.875 12.871 6.551 1.00 0.00 H new ATOM 937 N TRP A 64 -3.744 11.952 0.470 1.00 0.00 N ATOM 938 CA TRP A 64 -3.017 10.797 -0.046 1.00 0.00 C ATOM 939 C TRP A 64 -2.955 10.829 -1.569 1.00 0.00 C ATOM 940 O TRP A 64 -3.857 11.350 -2.225 1.00 0.00 O ATOM 941 CB TRP A 64 -3.680 9.500 0.423 1.00 0.00 C ATOM 942 CG TRP A 64 -3.530 9.255 1.895 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.206 9.880 2.902 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.647 8.318 2.520 1.00 0.00 C ATOM 945 NE1 TRP A 64 -3.796 9.389 4.119 1.00 0.00 N ATOM 946 CE2 TRP A 64 -2.841 8.429 3.911 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.713 7.395 2.042 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -2.134 7.652 4.825 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -1.012 6.625 2.950 1.00 0.00 C ATOM 950 CH2 TRP A 64 -1.225 6.757 4.329 1.00 0.00 C ATOM 0 HA TRP A 64 -1.999 10.837 0.341 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.741 9.531 0.173 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.249 8.661 -0.124 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.953 10.647 2.763 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.146 9.690 5.029 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.542 7.285 0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.297 7.752 5.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.287 5.909 2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.661 6.141 5.013 1.00 0.00 H new ATOM 961 N ILE A 65 -1.887 10.268 -2.125 1.00 0.00 N ATOM 962 CA ILE A 65 -1.710 10.232 -3.572 1.00 0.00 C ATOM 963 C ILE A 65 -1.336 8.831 -4.044 1.00 0.00 C ATOM 964 O ILE A 65 -0.717 8.061 -3.310 1.00 0.00 O ATOM 965 CB ILE A 65 -0.624 11.223 -4.031 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.572 12.429 -3.089 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.887 11.672 -5.460 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.909 13.115 -2.912 1.00 0.00 C ATOM 0 H ILE A 65 -1.131 9.832 -1.596 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.663 10.520 -4.015 1.00 0.00 H new ATOM 0 HB ILE A 65 0.342 10.720 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.208 12.103 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.149 13.150 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.111 12.372 -5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.879 10.805 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.860 12.161 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.797 13.960 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.266 13.471 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.628 12.409 -2.498 1.00 0.00 H new ATOM 980 N LEU A 66 -1.712 8.509 -5.276 1.00 0.00 N ATOM 981 CA LEU A 66 -1.415 7.200 -5.850 1.00 0.00 C ATOM 982 C LEU A 66 -0.018 7.179 -6.462 1.00 0.00 C ATOM 983 O LEU A 66 0.371 8.102 -7.178 1.00 0.00 O ATOM 984 CB LEU A 66 -2.455 6.839 -6.911 1.00 0.00 C ATOM 985 CG LEU A 66 -2.209 5.538 -7.677 1.00 0.00 C ATOM 986 CD1 LEU A 66 -2.130 4.361 -6.717 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.302 5.314 -8.712 1.00 0.00 C ATOM 0 H LEU A 66 -2.223 9.136 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.452 6.462 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.430 6.774 -6.428 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.509 7.656 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.255 5.619 -8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.955 3.444 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.311 4.518 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.068 4.276 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.111 4.384 -9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.269 5.253 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.310 6.144 -9.418 1.00 0.00 H new ATOM 999 N ALA A 67 0.731 6.119 -6.178 1.00 0.00 N ATOM 1000 CA ALA A 67 2.083 5.976 -6.703 1.00 0.00 C ATOM 1001 C ALA A 67 2.119 4.985 -7.861 1.00 0.00 C ATOM 1002 O ALA A 67 2.351 5.363 -9.010 1.00 0.00 O ATOM 1003 CB ALA A 67 3.034 5.536 -5.600 1.00 0.00 C ATOM 0 H ALA A 67 0.424 5.346 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 67 2.405 6.947 -7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.040 5.433 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.038 6.281 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.706 4.578 -5.197 1.00 0.00 H new ATOM 1009 N THR A 68 1.889 3.712 -7.553 1.00 0.00 N ATOM 1010 CA THR A 68 1.897 2.666 -8.568 1.00 0.00 C ATOM 1011 C THR A 68 0.597 1.870 -8.546 1.00 0.00 C ATOM 1012 O THR A 68 -0.109 1.842 -7.539 1.00 0.00 O ATOM 1013 CB THR A 68 3.081 1.700 -8.370 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.306 0.950 -9.568 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.815 0.750 -7.212 1.00 0.00 C ATOM 0 H THR A 68 1.695 3.381 -6.608 1.00 0.00 H new ATOM 0 HA THR A 68 2.000 3.162 -9.533 1.00 0.00 H new ATOM 0 HB THR A 68 3.969 2.289 -8.139 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.061 0.340 -9.435 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.664 0.077 -7.091 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.673 1.324 -6.296 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.917 0.167 -7.418 1.00 0.00 H new ATOM 1023 N SER A 69 0.287 1.223 -9.666 1.00 0.00 N ATOM 1024 CA SER A 69 -0.930 0.428 -9.776 1.00 0.00 C ATOM 1025 C SER A 69 -0.762 -0.683 -10.809 1.00 0.00 C ATOM 1026 O SER A 69 0.214 -0.708 -11.557 1.00 0.00 O ATOM 1027 CB SER A 69 -2.113 1.319 -10.159 1.00 0.00 C ATOM 1028 OG SER A 69 -1.951 1.852 -11.463 1.00 0.00 O ATOM 0 H SER A 69 0.862 1.234 -10.509 1.00 0.00 H new ATOM 0 HA SER A 69 -1.125 -0.028 -8.805 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.037 0.742 -10.111 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.207 2.132 -9.440 1.00 0.00 H new ATOM 0 HG SER A 69 -2.721 2.416 -11.684 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.721 -1.602 -10.841 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.681 -2.715 -11.782 1.00 0.00 C ATOM 1036 C ALA A 70 -0.658 -3.760 -11.351 1.00 0.00 C ATOM 1037 O ALA A 70 -0.136 -4.510 -12.178 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.368 -2.212 -13.182 1.00 0.00 C ATOM 0 H ALA A 70 -2.535 -1.598 -10.226 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.663 -3.188 -11.790 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.341 -3.054 -13.874 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.139 -1.508 -13.497 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.399 -1.713 -13.181 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.372 -3.804 -10.054 1.00 0.00 N ATOM 1045 CA ILE A 71 0.589 -4.758 -9.515 1.00 0.00 C ATOM 1046 C ILE A 71 -0.020 -6.152 -9.410 1.00 0.00 C ATOM 1047 O ILE A 71 -1.170 -6.325 -9.004 1.00 0.00 O ATOM 1048 CB ILE A 71 1.094 -4.325 -8.127 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.750 -2.944 -8.207 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.074 -5.350 -7.575 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.249 -2.435 -6.873 1.00 0.00 C ATOM 0 H ILE A 71 -0.792 -3.190 -9.357 1.00 0.00 H new ATOM 0 HA ILE A 71 1.431 -4.783 -10.207 1.00 0.00 H new ATOM 0 HB ILE A 71 0.242 -4.264 -7.450 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.585 -2.987 -8.906 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.031 -2.232 -8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.422 -5.029 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.578 -6.317 -7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.925 -5.440 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.702 -1.452 -7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.414 -2.359 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.992 -3.126 -6.475 1.00 0.00 H new ATOM 1063 N PRO A 72 0.768 -7.172 -9.782 1.00 0.00 N ATOM 1064 CA PRO A 72 0.328 -8.570 -9.736 1.00 0.00 C ATOM 1065 C PRO A 72 0.173 -9.082 -8.307 1.00 0.00 C ATOM 1066 O PRO A 72 0.760 -8.549 -7.365 1.00 0.00 O ATOM 1067 CB PRO A 72 1.454 -9.319 -10.454 1.00 0.00 C ATOM 1068 CG PRO A 72 2.655 -8.455 -10.280 1.00 0.00 C ATOM 1069 CD PRO A 72 2.149 -7.038 -10.275 1.00 0.00 C ATOM 0 HA PRO A 72 -0.652 -8.705 -10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.611 -10.307 -10.021 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.222 -9.466 -11.509 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.172 -8.688 -9.349 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.369 -8.612 -11.089 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.748 -6.400 -9.625 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.179 -6.597 -11.271 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.632 -10.140 -8.142 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.883 -10.748 -6.832 1.00 0.00 C ATOM 1079 C PRO A 73 0.343 -11.473 -6.286 1.00 0.00 C ATOM 1080 O PRO A 73 0.481 -11.655 -5.076 1.00 0.00 O ATOM 1081 CB PRO A 73 -2.012 -11.743 -7.111 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.875 -12.074 -8.556 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.363 -10.826 -9.220 1.00 0.00 C ATOM 0 HA PRO A 73 -1.132 -10.002 -6.078 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.917 -12.634 -6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.987 -11.306 -6.895 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.185 -12.905 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.833 -12.377 -8.980 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.712 -11.058 -10.063 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.178 -10.213 -9.606 1.00 0.00 H new ATOM 1091 N SER A 74 1.231 -11.885 -7.185 1.00 0.00 N ATOM 1092 CA SER A 74 2.444 -12.593 -6.794 1.00 0.00 C ATOM 1093 C SER A 74 3.495 -11.620 -6.267 1.00 0.00 C ATOM 1094 O SER A 74 4.327 -11.980 -5.435 1.00 0.00 O ATOM 1095 CB SER A 74 3.007 -13.378 -7.980 1.00 0.00 C ATOM 1096 OG SER A 74 3.760 -14.495 -7.542 1.00 0.00 O ATOM 0 H SER A 74 1.133 -11.740 -8.190 1.00 0.00 H new ATOM 0 HA SER A 74 2.187 -13.290 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.190 -13.714 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.637 -12.726 -8.585 1.00 0.00 H new ATOM 0 HG SER A 74 4.107 -14.980 -8.319 1.00 0.00 H new ATOM 1102 N ARG A 75 3.450 -10.387 -6.759 1.00 0.00 N ATOM 1103 CA ARG A 75 4.398 -9.361 -6.340 1.00 0.00 C ATOM 1104 C ARG A 75 3.942 -8.697 -5.045 1.00 0.00 C ATOM 1105 O ARG A 75 3.054 -7.843 -5.051 1.00 0.00 O ATOM 1106 CB ARG A 75 4.560 -8.308 -7.437 1.00 0.00 C ATOM 1107 CG ARG A 75 5.585 -7.235 -7.105 1.00 0.00 C ATOM 1108 CD ARG A 75 6.265 -6.707 -8.358 1.00 0.00 C ATOM 1109 NE ARG A 75 7.632 -6.266 -8.094 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.465 -5.849 -9.040 1.00 0.00 C ATOM 1111 NH1 ARG A 75 8.072 -5.815 -10.307 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.694 -5.463 -8.722 1.00 0.00 N ATOM 0 H ARG A 75 2.767 -10.073 -7.449 1.00 0.00 H new ATOM 0 HA ARG A 75 5.360 -9.841 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.851 -8.803 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.596 -7.834 -7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.096 -6.413 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.335 -7.644 -6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.276 -7.486 -9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.687 -5.875 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 75 7.965 -6.279 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.128 -6.110 -10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.714 -5.494 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.000 -5.486 -7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.333 -5.143 -9.450 1.00 0.00 H new ATOM 1126 N LEU A 76 4.555 -9.093 -3.935 1.00 0.00 N ATOM 1127 CA LEU A 76 4.212 -8.536 -2.631 1.00 0.00 C ATOM 1128 C LEU A 76 5.210 -7.458 -2.219 1.00 0.00 C ATOM 1129 O LEU A 76 5.224 -7.017 -1.071 1.00 0.00 O ATOM 1130 CB LEU A 76 4.176 -9.643 -1.575 1.00 0.00 C ATOM 1131 CG LEU A 76 3.360 -10.886 -1.934 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.378 -11.884 -0.786 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.932 -10.502 -2.289 1.00 0.00 C ATOM 0 H LEU A 76 5.292 -9.798 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 76 3.224 -8.081 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.200 -9.953 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.776 -9.224 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 76 3.814 -11.358 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.793 -12.762 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.406 -12.183 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.948 -11.423 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.366 -11.399 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.466 -10.007 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.939 -9.825 -3.143 1.00 0.00 H new ATOM 1145 N SER A 77 6.043 -7.038 -3.167 1.00 0.00 N ATOM 1146 CA SER A 77 7.045 -6.012 -2.903 1.00 0.00 C ATOM 1147 C SER A 77 7.407 -5.265 -4.183 1.00 0.00 C ATOM 1148 O SER A 77 7.703 -5.876 -5.210 1.00 0.00 O ATOM 1149 CB SER A 77 8.300 -6.641 -2.293 1.00 0.00 C ATOM 1150 OG SER A 77 9.408 -5.763 -2.390 1.00 0.00 O ATOM 0 H SER A 77 6.043 -7.392 -4.123 1.00 0.00 H new ATOM 0 HA SER A 77 6.623 -5.299 -2.194 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.116 -6.886 -1.247 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.527 -7.576 -2.804 1.00 0.00 H new ATOM 0 HG SER A 77 9.655 -5.448 -1.495 1.00 0.00 H new ATOM 1156 N VAL A 78 7.383 -3.938 -4.113 1.00 0.00 N ATOM 1157 CA VAL A 78 7.709 -3.106 -5.265 1.00 0.00 C ATOM 1158 C VAL A 78 8.400 -1.817 -4.833 1.00 0.00 C ATOM 1159 O VAL A 78 8.306 -1.408 -3.676 1.00 0.00 O ATOM 1160 CB VAL A 78 6.449 -2.752 -6.077 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.547 -3.967 -6.220 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.702 -1.597 -5.425 1.00 0.00 C ATOM 0 H VAL A 78 7.141 -3.416 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 78 8.386 -3.686 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 78 6.757 -2.439 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.662 -3.697 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.087 -4.762 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.244 -4.314 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.815 -1.360 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.404 -1.880 -4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.351 -0.723 -5.380 1.00 0.00 H new ATOM 1172 N GLU A 79 9.096 -1.182 -5.771 1.00 0.00 N ATOM 1173 CA GLU A 79 9.804 0.060 -5.487 1.00 0.00 C ATOM 1174 C GLU A 79 8.994 1.268 -5.952 1.00 0.00 C ATOM 1175 O GLU A 79 8.808 1.478 -7.151 1.00 0.00 O ATOM 1176 CB GLU A 79 11.175 0.059 -6.168 1.00 0.00 C ATOM 1177 CG GLU A 79 11.987 1.315 -5.901 1.00 0.00 C ATOM 1178 CD GLU A 79 13.273 1.358 -6.702 1.00 0.00 C ATOM 1179 OE1 GLU A 79 14.265 0.735 -6.266 1.00 0.00 O ATOM 1180 OE2 GLU A 79 13.291 2.014 -7.765 1.00 0.00 O ATOM 0 H GLU A 79 9.184 -1.507 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 79 9.942 0.130 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.740 -0.808 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.037 -0.053 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.384 2.191 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.223 1.372 -4.838 1.00 0.00 H new ATOM 1187 N ILE A 80 8.515 2.055 -4.996 1.00 0.00 N ATOM 1188 CA ILE A 80 7.726 3.240 -5.308 1.00 0.00 C ATOM 1189 C ILE A 80 8.618 4.391 -5.764 1.00 0.00 C ATOM 1190 O ILE A 80 9.264 5.051 -4.950 1.00 0.00 O ATOM 1191 CB ILE A 80 6.897 3.700 -4.093 1.00 0.00 C ATOM 1192 CG1 ILE A 80 5.989 2.567 -3.611 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.076 4.930 -4.447 1.00 0.00 C ATOM 1194 CD1 ILE A 80 4.874 2.232 -4.578 1.00 0.00 C ATOM 0 H ILE A 80 8.659 1.894 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 80 7.050 2.964 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 80 7.579 3.964 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.593 1.675 -3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.555 2.844 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.496 5.243 -3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.743 5.738 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.400 4.692 -5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.271 1.420 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.246 3.110 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.301 1.923 -5.532 1.00 0.00 H new ATOM 1206 N THR A 81 8.647 4.626 -7.073 1.00 0.00 N ATOM 1207 CA THR A 81 9.458 5.696 -7.638 1.00 0.00 C ATOM 1208 C THR A 81 8.624 6.949 -7.878 1.00 0.00 C ATOM 1209 O THR A 81 7.396 6.893 -7.911 1.00 0.00 O ATOM 1210 CB THR A 81 10.108 5.264 -8.966 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.103 5.091 -9.971 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.887 3.970 -8.792 1.00 0.00 C ATOM 0 H THR A 81 8.118 4.089 -7.760 1.00 0.00 H new ATOM 0 HA THR A 81 10.241 5.918 -6.913 1.00 0.00 H new ATOM 0 HB THR A 81 10.800 6.047 -9.277 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.525 4.818 -10.812 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.337 3.685 -9.743 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.671 4.114 -8.049 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.212 3.181 -8.459 1.00 0.00 H new ATOM 1220 N GLY A 82 9.301 8.082 -8.045 1.00 0.00 N ATOM 1221 CA GLY A 82 8.606 9.334 -8.280 1.00 0.00 C ATOM 1222 C GLY A 82 8.309 10.082 -6.995 1.00 0.00 C ATOM 1223 O GLY A 82 7.228 10.650 -6.835 1.00 0.00 O ATOM 0 H GLY A 82 10.318 8.154 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.210 9.964 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.672 9.135 -8.805 1.00 0.00 H new ATOM 1227 N LEU A 83 9.268 10.081 -6.077 1.00 0.00 N ATOM 1228 CA LEU A 83 9.104 10.763 -4.798 1.00 0.00 C ATOM 1229 C LEU A 83 9.920 12.051 -4.759 1.00 0.00 C ATOM 1230 O LEU A 83 10.632 12.376 -5.710 1.00 0.00 O ATOM 1231 CB LEU A 83 9.524 9.845 -3.649 1.00 0.00 C ATOM 1232 CG LEU A 83 8.818 8.491 -3.580 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.382 7.653 -2.444 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.318 8.679 -3.412 1.00 0.00 C ATOM 0 H LEU A 83 10.168 9.615 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 83 8.050 11.018 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.597 9.669 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.352 10.370 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 83 8.995 7.963 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.867 6.693 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.447 7.488 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.236 8.176 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.832 7.704 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.121 9.228 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.924 9.240 -4.260 1.00 0.00 H new ATOM 1246 N GLU A 84 9.813 12.781 -3.653 1.00 0.00 N ATOM 1247 CA GLU A 84 10.543 14.033 -3.491 1.00 0.00 C ATOM 1248 C GLU A 84 11.408 13.999 -2.234 1.00 0.00 C ATOM 1249 O GLU A 84 10.929 13.683 -1.144 1.00 0.00 O ATOM 1250 CB GLU A 84 9.569 15.211 -3.422 1.00 0.00 C ATOM 1251 CG GLU A 84 8.873 15.503 -4.741 1.00 0.00 C ATOM 1252 CD GLU A 84 7.577 14.732 -4.900 1.00 0.00 C ATOM 1253 OE1 GLU A 84 6.553 15.167 -4.333 1.00 0.00 O ATOM 1254 OE2 GLU A 84 7.588 13.692 -5.592 1.00 0.00 O ATOM 0 H GLU A 84 9.228 12.527 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 84 11.194 14.160 -4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.816 15.005 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.111 16.101 -3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.667 16.571 -4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.543 15.254 -5.564 1.00 0.00 H new ATOM 1261 N LYS A 85 12.685 14.328 -2.394 1.00 0.00 N ATOM 1262 CA LYS A 85 13.619 14.337 -1.273 1.00 0.00 C ATOM 1263 C LYS A 85 13.266 15.439 -0.280 1.00 0.00 C ATOM 1264 O LYS A 85 12.631 16.430 -0.637 1.00 0.00 O ATOM 1265 CB LYS A 85 15.051 14.530 -1.778 1.00 0.00 C ATOM 1266 CG LYS A 85 15.774 13.227 -2.067 1.00 0.00 C ATOM 1267 CD LYS A 85 16.781 13.385 -3.195 1.00 0.00 C ATOM 1268 CE LYS A 85 16.095 13.434 -4.552 1.00 0.00 C ATOM 1269 NZ LYS A 85 17.052 13.195 -5.667 1.00 0.00 N ATOM 0 H LYS A 85 13.098 14.592 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 85 13.546 13.376 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.029 15.133 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.617 15.093 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.285 12.886 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.048 12.458 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.357 14.298 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.487 12.555 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.304 12.685 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.620 14.406 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.545 13.237 -6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.793 13.924 -5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.487 12.257 -5.556 1.00 0.00 H new ATOM 1283 N GLY A 86 13.685 15.259 0.969 1.00 0.00 N ATOM 1284 CA GLY A 86 13.404 16.247 1.995 1.00 0.00 C ATOM 1285 C GLY A 86 11.926 16.347 2.315 1.00 0.00 C ATOM 1286 O GLY A 86 11.484 17.307 2.946 1.00 0.00 O ATOM 0 H GLY A 86 14.214 14.447 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.952 15.991 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.768 17.221 1.667 1.00 0.00 H new ATOM 1290 N ILE A 87 11.159 15.355 1.877 1.00 0.00 N ATOM 1291 CA ILE A 87 9.722 15.336 2.121 1.00 0.00 C ATOM 1292 C ILE A 87 9.287 14.013 2.744 1.00 0.00 C ATOM 1293 O ILE A 87 9.346 12.964 2.102 1.00 0.00 O ATOM 1294 CB ILE A 87 8.928 15.563 0.821 1.00 0.00 C ATOM 1295 CG1 ILE A 87 9.250 16.940 0.235 1.00 0.00 C ATOM 1296 CG2 ILE A 87 7.435 15.428 1.082 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.679 18.087 1.039 1.00 0.00 C ATOM 0 H ILE A 87 11.508 14.554 1.351 1.00 0.00 H new ATOM 0 HA ILE A 87 9.509 16.149 2.815 1.00 0.00 H new ATOM 0 HB ILE A 87 9.220 14.803 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.332 17.055 0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.863 16.992 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.887 15.591 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.221 14.428 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.126 16.168 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.946 19.032 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.594 17.997 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 87 9.085 18.060 2.050 1.00 0.00 H new ATOM 1309 N SER A 88 8.850 14.072 3.997 1.00 0.00 N ATOM 1310 CA SER A 88 8.407 12.879 4.709 1.00 0.00 C ATOM 1311 C SER A 88 7.010 12.463 4.254 1.00 0.00 C ATOM 1312 O SER A 88 6.149 13.307 4.006 1.00 0.00 O ATOM 1313 CB SER A 88 8.411 13.129 6.218 1.00 0.00 C ATOM 1314 OG SER A 88 9.391 14.088 6.573 1.00 0.00 O ATOM 0 H SER A 88 8.793 14.933 4.541 1.00 0.00 H new ATOM 0 HA SER A 88 9.101 12.070 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.427 13.475 6.535 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.605 12.194 6.744 1.00 0.00 H new ATOM 0 HG SER A 88 9.372 14.231 7.542 1.00 0.00 H new ATOM 1320 N TYR A 89 6.794 11.157 4.148 1.00 0.00 N ATOM 1321 CA TYR A 89 5.506 10.626 3.722 1.00 0.00 C ATOM 1322 C TYR A 89 5.372 9.153 4.093 1.00 0.00 C ATOM 1323 O TYR A 89 6.367 8.466 4.326 1.00 0.00 O ATOM 1324 CB TYR A 89 5.332 10.802 2.212 1.00 0.00 C ATOM 1325 CG TYR A 89 6.639 10.818 1.451 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.550 9.776 1.574 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.962 11.876 0.610 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.744 9.788 0.881 1.00 0.00 C ATOM 1329 CE2 TYR A 89 8.154 11.894 -0.088 1.00 0.00 C ATOM 1330 CZ TYR A 89 9.042 10.848 0.050 1.00 0.00 C ATOM 1331 OH TYR A 89 10.231 10.864 -0.642 1.00 0.00 O ATOM 0 H TYR A 89 7.496 10.446 4.352 1.00 0.00 H new ATOM 0 HA TYR A 89 4.724 11.183 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.708 9.994 1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.799 11.734 2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.320 8.943 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.270 12.698 0.500 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.442 8.971 0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.389 12.723 -0.739 1.00 0.00 H new ATOM 0 HH TYR A 89 10.494 11.791 -0.819 1.00 0.00 H new ATOM 1341 N LYS A 90 4.135 8.672 4.143 1.00 0.00 N ATOM 1342 CA LYS A 90 3.868 7.279 4.483 1.00 0.00 C ATOM 1343 C LYS A 90 3.428 6.493 3.252 1.00 0.00 C ATOM 1344 O LYS A 90 3.325 7.044 2.156 1.00 0.00 O ATOM 1345 CB LYS A 90 2.790 7.195 5.567 1.00 0.00 C ATOM 1346 CG LYS A 90 3.177 7.885 6.864 1.00 0.00 C ATOM 1347 CD LYS A 90 1.995 7.990 7.813 1.00 0.00 C ATOM 1348 CE LYS A 90 2.400 8.609 9.142 1.00 0.00 C ATOM 1349 NZ LYS A 90 1.219 8.913 9.996 1.00 0.00 N ATOM 0 H LYS A 90 3.300 9.226 3.952 1.00 0.00 H new ATOM 0 HA LYS A 90 4.791 6.840 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.870 7.641 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.575 6.147 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.983 7.332 7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.560 8.882 6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.211 8.592 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.576 6.999 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.065 7.928 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.962 9.525 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.538 9.333 10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.596 9.583 9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.697 8.035 10.192 1.00 0.00 H new ATOM 1363 N PHE A 91 3.169 5.203 3.441 1.00 0.00 N ATOM 1364 CA PHE A 91 2.740 4.342 2.345 1.00 0.00 C ATOM 1365 C PHE A 91 1.666 3.363 2.811 1.00 0.00 C ATOM 1366 O PHE A 91 1.514 3.117 4.007 1.00 0.00 O ATOM 1367 CB PHE A 91 3.934 3.573 1.774 1.00 0.00 C ATOM 1368 CG PHE A 91 5.039 4.463 1.281 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.007 4.936 2.154 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.111 4.826 -0.053 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.025 5.755 1.703 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.126 5.645 -0.511 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.085 6.108 0.369 1.00 0.00 C ATOM 0 H PHE A 91 3.249 4.731 4.342 1.00 0.00 H new ATOM 0 HA PHE A 91 2.317 4.974 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.329 2.908 2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.592 2.943 0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.965 4.661 3.198 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.365 4.465 -0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.772 6.118 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.169 5.922 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.881 6.746 0.014 1.00 0.00 H new ATOM 1383 N ARG A 92 0.925 2.810 1.858 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.135 1.858 2.170 1.00 0.00 C ATOM 1385 C ARG A 92 -0.360 0.894 1.009 1.00 0.00 C ATOM 1386 O ARG A 92 0.327 0.962 -0.010 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.435 2.600 2.490 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.988 3.396 1.319 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.462 3.716 1.509 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.682 4.647 2.612 1.00 0.00 N ATOM 1391 CZ ARG A 92 -4.782 5.379 2.749 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.757 5.288 1.855 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -4.908 6.205 3.779 1.00 0.00 N ATOM 0 H ARG A 92 1.038 3.004 0.863 1.00 0.00 H new ATOM 0 HA ARG A 92 0.173 1.282 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.185 1.878 2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.261 3.276 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.425 4.323 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.853 2.830 0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.862 4.143 0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.012 2.794 1.698 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.950 4.741 3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.663 4.655 1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.601 5.851 1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.159 6.279 4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.753 6.766 3.882 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.327 -0.004 1.171 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.643 -0.982 0.137 1.00 0.00 C ATOM 1409 C VAL A 93 -3.140 -1.265 0.087 1.00 0.00 C ATOM 1410 O VAL A 93 -3.822 -1.238 1.112 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.889 -2.306 0.367 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.279 -3.332 -0.686 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.613 -2.070 0.365 1.00 0.00 C ATOM 0 H VAL A 93 -1.905 -0.074 2.009 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.326 -0.552 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.170 -2.700 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.737 -4.261 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.351 -3.521 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.029 -2.950 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.130 -3.015 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.915 -1.653 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.873 -1.372 1.161 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.646 -1.535 -1.112 1.00 0.00 N ATOM 1424 CA ARG A 94 -5.064 -1.822 -1.296 1.00 0.00 C ATOM 1425 C ARG A 94 -5.262 -2.969 -2.282 1.00 0.00 C ATOM 1426 O ARG A 94 -4.636 -3.006 -3.341 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.798 -0.576 -1.793 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.231 0.362 -0.678 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.462 1.163 -1.070 1.00 0.00 C ATOM 1430 NE ARG A 94 -8.003 1.920 0.055 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.739 3.018 -0.084 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.019 3.484 -1.293 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -9.196 3.651 0.989 1.00 0.00 N ATOM 0 H ARG A 94 -3.095 -1.561 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.477 -2.118 -0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.150 -0.033 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.677 -0.884 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.443 -0.215 0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.415 1.043 -0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.207 1.848 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.227 0.488 -1.454 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.805 1.588 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.669 3.000 -2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.584 4.327 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.982 3.295 1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.761 4.494 0.882 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.137 -3.905 -1.925 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.419 -5.052 -2.779 1.00 0.00 C ATOM 1449 C ALA A 95 -7.668 -4.815 -3.621 1.00 0.00 C ATOM 1450 O ALA A 95 -8.718 -4.437 -3.101 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.578 -6.310 -1.937 1.00 0.00 C ATOM 0 H ALA A 95 -6.662 -3.891 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.576 -5.186 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.788 -7.159 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.658 -6.496 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.402 -6.177 -1.236 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.548 -5.041 -4.925 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.668 -4.852 -5.840 1.00 0.00 C ATOM 1459 C LEU A 96 -8.981 -6.143 -6.592 1.00 0.00 C ATOM 1460 O LEU A 96 -8.134 -6.675 -7.308 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.356 -3.733 -6.834 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.660 -2.310 -6.361 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.531 -1.786 -5.487 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -8.889 -1.390 -7.551 1.00 0.00 C ATOM 0 H LEU A 96 -6.687 -5.355 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.543 -4.574 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.299 -3.790 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.920 -3.919 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.572 -2.332 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.764 -0.773 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.416 -2.431 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.603 -1.778 -6.058 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.104 -0.382 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.995 -1.372 -8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.732 -1.756 -8.137 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.202 -6.637 -6.425 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.628 -7.864 -7.089 1.00 0.00 C ATOM 1478 C ASN A 97 -11.882 -7.624 -7.923 1.00 0.00 C ATOM 1479 O ASN A 97 -12.328 -6.488 -8.079 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.891 -8.962 -6.057 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.171 -8.730 -5.278 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.761 -7.651 -5.339 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.607 -9.745 -4.539 1.00 0.00 N ATOM 0 H ASN A 97 -10.915 -6.207 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.826 -8.184 -7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.947 -9.926 -6.563 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.051 -9.014 -5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.463 -9.647 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.086 -10.622 -4.518 1.00 0.00 H new ATOM 1490 N MET A 98 -12.448 -8.703 -8.456 1.00 0.00 N ATOM 1491 CA MET A 98 -13.652 -8.610 -9.273 1.00 0.00 C ATOM 1492 C MET A 98 -14.858 -8.230 -8.421 1.00 0.00 C ATOM 1493 O MET A 98 -15.978 -8.122 -8.925 1.00 0.00 O ATOM 1494 CB MET A 98 -13.914 -9.938 -9.987 1.00 0.00 C ATOM 1495 CG MET A 98 -13.999 -11.127 -9.044 1.00 0.00 C ATOM 1496 SD MET A 98 -14.136 -12.697 -9.919 1.00 0.00 S ATOM 1497 CE MET A 98 -15.901 -12.767 -10.214 1.00 0.00 C ATOM 0 H MET A 98 -12.092 -9.651 -8.336 1.00 0.00 H new ATOM 0 HA MET A 98 -13.496 -7.830 -10.019 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.845 -9.862 -10.548 1.00 0.00 H new ATOM 0 HB3 MET A 98 -13.119 -10.115 -10.711 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.114 -11.146 -8.408 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.861 -11.005 -8.388 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.228 -13.807 -10.220 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.424 -12.227 -9.424 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.127 -12.310 -11.177 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.625 -8.029 -7.129 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.694 -7.661 -6.206 1.00 0.00 C ATOM 1509 C LEU A 99 -15.544 -6.214 -5.749 1.00 0.00 C ATOM 1510 O LEU A 99 -16.518 -5.571 -5.362 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.691 -8.594 -4.994 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.694 -10.093 -5.300 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.809 -10.900 -4.016 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.829 -10.440 -6.254 1.00 0.00 C ATOM 0 H LEU A 99 -13.705 -8.115 -6.696 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.644 -7.760 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.812 -8.369 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.565 -8.366 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.750 -10.348 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.810 -11.964 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.963 -10.674 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.737 -10.642 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.816 -11.510 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.782 -10.170 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.702 -9.889 -7.186 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.315 -5.707 -5.798 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.061 -4.339 -5.387 1.00 0.00 C ATOM 1528 C GLY A 100 -12.699 -4.171 -4.743 1.00 0.00 C ATOM 1529 O GLY A 100 -11.872 -5.080 -4.781 1.00 0.00 O ATOM 0 H GLY A 100 -13.492 -6.219 -6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.133 -3.683 -6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.833 -4.025 -4.685 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.465 -3.003 -4.153 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.192 -2.718 -3.501 1.00 0.00 C ATOM 1535 C GLU A 101 -11.276 -2.991 -2.001 1.00 0.00 C ATOM 1536 O GLU A 101 -12.363 -3.011 -1.423 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.783 -1.264 -3.743 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.676 -0.255 -3.040 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.856 0.173 -3.892 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -13.202 -0.563 -4.839 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -13.432 1.245 -3.610 1.00 0.00 O ATOM 0 H GLU A 101 -13.140 -2.239 -4.113 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.438 -3.376 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.756 -1.124 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.798 -1.065 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -12.043 -0.687 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.087 0.623 -2.774 1.00 0.00 H new ATOM 1548 N SER A 102 -10.120 -3.202 -1.379 1.00 0.00 N ATOM 1549 CA SER A 102 -10.062 -3.478 0.051 1.00 0.00 C ATOM 1550 C SER A 102 -9.814 -2.198 0.842 1.00 0.00 C ATOM 1551 O SER A 102 -9.610 -1.130 0.266 1.00 0.00 O ATOM 1552 CB SER A 102 -8.961 -4.497 0.350 1.00 0.00 C ATOM 1553 OG SER A 102 -7.719 -3.854 0.582 1.00 0.00 O ATOM 0 H SER A 102 -9.212 -3.187 -1.843 1.00 0.00 H new ATOM 0 HA SER A 102 -11.023 -3.892 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.236 -5.089 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.865 -5.189 -0.487 1.00 0.00 H new ATOM 0 HG SER A 102 -7.726 -3.440 1.470 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.835 -2.313 2.166 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.613 -1.165 3.037 1.00 0.00 C ATOM 1561 C GLU A 103 -8.163 -0.697 2.961 1.00 0.00 C ATOM 1562 O GLU A 103 -7.261 -1.446 2.586 1.00 0.00 O ATOM 1563 CB GLU A 103 -9.973 -1.516 4.482 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.451 -1.357 4.797 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.861 -2.094 6.058 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.166 -1.946 7.085 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.877 -2.820 6.016 1.00 0.00 O ATOM 0 H GLU A 103 -10.004 -3.190 2.659 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.256 -0.353 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.676 -2.546 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.396 -0.882 5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.683 -0.298 4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.040 -1.726 3.957 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.932 0.573 3.326 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.594 1.171 3.309 1.00 0.00 C ATOM 1576 C PRO A 104 -5.686 0.592 4.389 1.00 0.00 C ATOM 1577 O PRO A 104 -5.827 0.913 5.569 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.864 2.653 3.576 1.00 0.00 C ATOM 1579 CG PRO A 104 -8.155 2.675 4.319 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.959 1.523 3.785 1.00 0.00 C ATOM 0 HA PRO A 104 -6.075 0.981 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.062 3.102 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.933 3.217 2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.990 2.572 5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.677 3.619 4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.595 1.086 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.613 1.833 2.970 1.00 0.00 H new ATOM 1588 N SER A 105 -4.755 -0.262 3.977 1.00 0.00 N ATOM 1589 CA SER A 105 -3.826 -0.888 4.911 1.00 0.00 C ATOM 1590 C SER A 105 -3.229 0.146 5.861 1.00 0.00 C ATOM 1591 O SER A 105 -3.045 1.306 5.496 1.00 0.00 O ATOM 1592 CB SER A 105 -2.707 -1.601 4.150 1.00 0.00 C ATOM 1593 OG SER A 105 -1.743 -0.678 3.677 1.00 0.00 O ATOM 0 H SER A 105 -4.624 -0.536 3.003 1.00 0.00 H new ATOM 0 HA SER A 105 -4.381 -1.619 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.227 -2.330 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.129 -2.153 3.310 1.00 0.00 H new ATOM 0 HG SER A 105 -1.046 -0.557 4.355 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.932 -0.284 7.083 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.356 0.603 8.086 1.00 0.00 C ATOM 1601 C ALA A 106 -1.219 1.431 7.497 1.00 0.00 C ATOM 1602 O ALA A 106 -0.375 0.932 6.752 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.862 -0.201 9.280 1.00 0.00 C ATOM 0 H ALA A 106 -3.081 -1.241 7.402 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.135 1.288 8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.434 0.474 10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.696 -0.745 9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.101 -0.909 8.952 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.193 2.729 7.838 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.164 3.653 7.353 1.00 0.00 C ATOM 1611 C PRO A 107 1.206 3.367 7.960 1.00 0.00 C ATOM 1612 O PRO A 107 1.490 3.765 9.089 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.674 5.022 7.810 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.537 4.732 8.989 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.166 3.392 8.721 1.00 0.00 C ATOM 0 HA PRO A 107 -0.020 3.573 6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.151 5.683 8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.237 5.518 7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.950 4.711 9.907 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.298 5.502 9.115 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.321 2.830 9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.140 3.494 8.242 1.00 0.00 H new ATOM 1623 N SER A 108 2.050 2.673 7.202 1.00 0.00 N ATOM 1624 CA SER A 108 3.389 2.330 7.667 1.00 0.00 C ATOM 1625 C SER A 108 4.088 3.550 8.260 1.00 0.00 C ATOM 1626 O SER A 108 3.599 4.675 8.146 1.00 0.00 O ATOM 1627 CB SER A 108 4.221 1.761 6.517 1.00 0.00 C ATOM 1628 OG SER A 108 4.691 2.794 5.667 1.00 0.00 O ATOM 0 H SER A 108 1.830 2.338 6.264 1.00 0.00 H new ATOM 0 HA SER A 108 3.293 1.574 8.446 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.067 1.202 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.619 1.058 5.941 1.00 0.00 H new ATOM 0 HG SER A 108 4.487 2.569 4.735 1.00 0.00 H new ATOM 1634 N ARG A 109 5.232 3.318 8.894 1.00 0.00 N ATOM 1635 CA ARG A 109 5.998 4.397 9.507 1.00 0.00 C ATOM 1636 C ARG A 109 6.424 5.423 8.461 1.00 0.00 C ATOM 1637 O ARG A 109 6.642 5.101 7.292 1.00 0.00 O ATOM 1638 CB ARG A 109 7.230 3.836 10.218 1.00 0.00 C ATOM 1639 CG ARG A 109 8.224 3.169 9.281 1.00 0.00 C ATOM 1640 CD ARG A 109 9.196 2.280 10.041 1.00 0.00 C ATOM 1641 NE ARG A 109 9.922 1.378 9.151 1.00 0.00 N ATOM 1642 CZ ARG A 109 10.663 0.363 9.579 1.00 0.00 C ATOM 1643 NH1 ARG A 109 10.775 0.121 10.878 1.00 0.00 N ATOM 1644 NH2 ARG A 109 11.295 -0.413 8.708 1.00 0.00 N ATOM 0 H ARG A 109 5.649 2.393 8.997 1.00 0.00 H new ATOM 0 HA ARG A 109 5.359 4.893 10.238 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.731 4.645 10.750 1.00 0.00 H new ATOM 0 HB3 ARG A 109 6.908 3.113 10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.687 2.574 8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.778 3.932 8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.907 2.902 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.650 1.696 10.782 1.00 0.00 H new ATOM 0 HE ARG A 109 9.856 1.537 8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.291 0.715 11.551 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.345 -0.660 11.204 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.212 -0.230 7.708 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.864 -1.192 9.038 1.00 0.00 H new ATOM 1658 N PRO A 110 6.547 6.689 8.888 1.00 0.00 N ATOM 1659 CA PRO A 110 6.948 7.788 8.005 1.00 0.00 C ATOM 1660 C PRO A 110 8.409 7.686 7.580 1.00 0.00 C ATOM 1661 O PRO A 110 9.308 7.647 8.420 1.00 0.00 O ATOM 1662 CB PRO A 110 6.727 9.034 8.866 1.00 0.00 C ATOM 1663 CG PRO A 110 6.840 8.549 10.270 1.00 0.00 C ATOM 1664 CD PRO A 110 6.304 7.144 10.267 1.00 0.00 C ATOM 0 HA PRO A 110 6.381 7.791 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.471 9.801 8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 110 5.749 9.477 8.678 1.00 0.00 H new ATOM 0 HG2 PRO A 110 7.876 8.571 10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.270 9.183 10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.819 6.516 10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.244 7.118 10.518 1.00 0.00 H new ATOM 1672 N TYR A 111 8.638 7.643 6.272 1.00 0.00 N ATOM 1673 CA TYR A 111 9.991 7.544 5.736 1.00 0.00 C ATOM 1674 C TYR A 111 10.414 8.854 5.080 1.00 0.00 C ATOM 1675 O TYR A 111 9.753 9.345 4.164 1.00 0.00 O ATOM 1676 CB TYR A 111 10.078 6.401 4.723 1.00 0.00 C ATOM 1677 CG TYR A 111 11.491 6.080 4.291 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.255 5.148 4.983 1.00 0.00 C ATOM 1679 CD2 TYR A 111 12.063 6.711 3.194 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.546 4.852 4.593 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.354 6.420 2.795 1.00 0.00 C ATOM 1682 CZ TYR A 111 14.091 5.491 3.499 1.00 0.00 C ATOM 1683 OH TYR A 111 15.378 5.200 3.106 1.00 0.00 O ATOM 0 H TYR A 111 7.905 7.675 5.564 1.00 0.00 H new ATOM 0 HA TYR A 111 10.669 7.339 6.564 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.628 5.508 5.156 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.488 6.661 3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.832 4.647 5.841 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.489 7.442 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.126 4.124 5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 111 13.783 6.917 1.937 1.00 0.00 H new ATOM 0 HH TYR A 111 15.609 5.736 2.318 1.00 0.00 H new ATOM 1693 N VAL A 112 11.522 9.416 5.554 1.00 0.00 N ATOM 1694 CA VAL A 112 12.035 10.668 5.013 1.00 0.00 C ATOM 1695 C VAL A 112 13.136 10.414 3.989 1.00 0.00 C ATOM 1696 O VAL A 112 14.260 10.057 4.345 1.00 0.00 O ATOM 1697 CB VAL A 112 12.587 11.577 6.128 1.00 0.00 C ATOM 1698 CG1 VAL A 112 12.991 12.931 5.563 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.560 11.739 7.238 1.00 0.00 C ATOM 0 H VAL A 112 12.081 9.023 6.312 1.00 0.00 H new ATOM 0 HA VAL A 112 11.198 11.169 4.526 1.00 0.00 H new ATOM 0 HB VAL A 112 13.475 11.107 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.378 13.559 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.762 12.794 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.122 13.412 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.966 12.384 8.018 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.653 12.187 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.324 10.762 7.661 1.00 0.00 H new ATOM 1709 N VAL A 113 12.807 10.601 2.715 1.00 0.00 N ATOM 1710 CA VAL A 113 13.767 10.393 1.638 1.00 0.00 C ATOM 1711 C VAL A 113 14.753 11.552 1.551 1.00 0.00 C ATOM 1712 O VAL A 113 14.401 12.649 1.117 1.00 0.00 O ATOM 1713 CB VAL A 113 13.061 10.230 0.279 1.00 0.00 C ATOM 1714 CG1 VAL A 113 14.059 10.360 -0.861 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.335 8.895 0.213 1.00 0.00 C ATOM 0 H VAL A 113 11.882 10.897 2.403 1.00 0.00 H new ATOM 0 HA VAL A 113 14.308 9.475 1.869 1.00 0.00 H new ATOM 0 HB VAL A 113 12.323 11.025 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.541 10.242 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.529 11.343 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.823 9.589 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.842 8.797 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.052 8.084 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.590 8.846 1.007 1.00 0.00 H new ATOM 1725 N SER A 114 15.991 11.302 1.964 1.00 0.00 N ATOM 1726 CA SER A 114 17.029 12.326 1.935 1.00 0.00 C ATOM 1727 C SER A 114 18.044 12.041 0.832 1.00 0.00 C ATOM 1728 O SER A 114 18.489 12.949 0.132 1.00 0.00 O ATOM 1729 CB SER A 114 17.737 12.402 3.289 1.00 0.00 C ATOM 1730 OG SER A 114 18.300 13.686 3.498 1.00 0.00 O ATOM 0 H SER A 114 16.300 10.399 2.323 1.00 0.00 H new ATOM 0 HA SER A 114 16.554 13.285 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.029 12.178 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.520 11.646 3.336 1.00 0.00 H new ATOM 0 HG SER A 114 18.745 13.710 4.371 1.00 0.00 H new