USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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 93 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 112 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Set 2.1: A 87 THR OG1 : rot 119:sc= 1.14 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= 0.999 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 136:sc= -0.232 (180deg=-1.03) USER MOD Single : A 26 THR OG1 : rot -7:sc= 0.132 USER MOD Single : A 29 SER OG : rot -140:sc= -0.892 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= -0.114 (180deg=-0.551) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -171:sc= -2.01 USER MOD Single : A 40 ASN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.035) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 54 TYR OH : rot 70:sc= -1.08 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 41:sc= 0.256 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.3) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -6.35! C(o=-7.5!,f=-6.3!) USER MOD Single : A 77 ASN : amide:sc= 0.46 K(o=0.46,f=-4.2!) USER MOD Single : A 80 THR OG1 : rot -160:sc= -0.317 USER MOD Single : A 81 HIS : no HD1:sc= 0.462 K(o=0.46,f=-2.2!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 90 THR OG1 : rot 75:sc= 0.134 USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= -0.0328 (180deg=-0.429) USER MOD Single : A 97 GLN : amide:sc= -1.49! C(o=-1.5!,f=-3.4!) USER MOD Single : A 100 ASN : amide:sc= -6.37! C(o=-6.4!,f=-15!) USER MOD Single : A 101 SER OG : rot 180:sc= -0.738 USER MOD Single : A 102 LYS NZ :NH3+ -152:sc= -0.194 (180deg=-0.73) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 147:sc= -0.196 (180deg=-1.1) USER MOD Single : A 108 SER OG : rot -82:sc= 0.868 USER MOD Single : A 115 THR OG1 : rot -130:sc= 0.0604 USER MOD Single : A 117 LYS NZ :NH3+ -135:sc= -1.59! (180deg=-4.27!) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -23.042 -3.929 -2.882 1.00 0.00 N ATOM 179 CA LEU A 16 -22.303 -4.695 -3.880 1.00 0.00 C ATOM 180 C LEU A 16 -20.831 -4.295 -3.892 1.00 0.00 C ATOM 181 O LEU A 16 -20.480 -3.191 -4.309 1.00 0.00 O ATOM 182 CB LEU A 16 -22.912 -4.483 -5.267 1.00 0.00 C ATOM 183 CG LEU A 16 -24.372 -4.909 -5.431 1.00 0.00 C ATOM 184 CD1 LEU A 16 -25.020 -4.160 -6.585 1.00 0.00 C ATOM 185 CD2 LEU A 16 -24.467 -6.412 -5.648 1.00 0.00 C ATOM 0 HA LEU A 16 -22.372 -5.751 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.832 -3.426 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -22.311 -5.030 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.909 -4.659 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -26.058 -4.476 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.984 -3.088 -6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -24.482 -4.378 -7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.513 -6.698 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.915 -6.685 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -24.041 -6.931 -4.789 1.00 0.00 H new ATOM 197 N VAL A 17 -19.973 -5.201 -3.434 1.00 0.00 N ATOM 198 CA VAL A 17 -18.538 -4.945 -3.396 1.00 0.00 C ATOM 199 C VAL A 17 -18.055 -4.328 -4.703 1.00 0.00 C ATOM 200 O VAL A 17 -18.631 -4.542 -5.770 1.00 0.00 O ATOM 201 CB VAL A 17 -17.745 -6.238 -3.126 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.977 -6.721 -1.703 1.00 0.00 C ATOM 203 CG2 VAL A 17 -18.123 -7.314 -4.132 1.00 0.00 C ATOM 0 H VAL A 17 -20.247 -6.119 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.363 -4.243 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.683 -6.022 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.409 -7.635 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.651 -5.954 -1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -19.038 -6.921 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.553 -8.220 -3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.189 -7.529 -4.052 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.898 -6.965 -5.140 1.00 0.00 H new ATOM 213 N PRO A 18 -16.971 -3.543 -4.621 1.00 0.00 N ATOM 214 CA PRO A 18 -16.384 -2.878 -5.789 1.00 0.00 C ATOM 215 C PRO A 18 -15.719 -3.864 -6.743 1.00 0.00 C ATOM 216 O PRO A 18 -14.663 -4.421 -6.441 1.00 0.00 O ATOM 217 CB PRO A 18 -15.341 -1.940 -5.177 1.00 0.00 C ATOM 218 CG PRO A 18 -14.982 -2.570 -3.876 1.00 0.00 C ATOM 219 CD PRO A 18 -16.233 -3.243 -3.382 1.00 0.00 C ATOM 0 HA PRO A 18 -17.137 -2.366 -6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.469 -1.842 -5.823 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.745 -0.938 -5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.174 -3.291 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.634 -1.822 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.007 -4.149 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.805 -2.592 -2.721 1.00 0.00 H new ATOM 227 N THR A 19 -16.343 -4.076 -7.898 1.00 0.00 N ATOM 228 CA THR A 19 -15.812 -4.996 -8.896 1.00 0.00 C ATOM 229 C THR A 19 -14.860 -4.282 -9.849 1.00 0.00 C ATOM 230 O THR A 19 -14.508 -4.813 -10.903 1.00 0.00 O ATOM 231 CB THR A 19 -16.941 -5.652 -9.713 1.00 0.00 C ATOM 232 OG1 THR A 19 -17.396 -4.754 -10.731 1.00 0.00 O ATOM 233 CG2 THR A 19 -18.105 -6.038 -8.813 1.00 0.00 C ATOM 0 H THR A 19 -17.217 -3.623 -8.165 1.00 0.00 H new ATOM 0 HA THR A 19 -15.268 -5.770 -8.355 1.00 0.00 H new ATOM 0 HB THR A 19 -16.545 -6.555 -10.177 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.112 -5.180 -11.247 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.890 -6.499 -9.412 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.762 -6.745 -8.058 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.498 -5.147 -8.324 1.00 0.00 H new ATOM 241 N SER A 20 -14.447 -3.076 -9.473 1.00 0.00 N ATOM 242 CA SER A 20 -13.537 -2.288 -10.297 1.00 0.00 C ATOM 243 C SER A 20 -12.317 -1.850 -9.492 1.00 0.00 C ATOM 244 O SER A 20 -12.417 -1.453 -8.331 1.00 0.00 O ATOM 245 CB SER A 20 -14.258 -1.061 -10.859 1.00 0.00 C ATOM 246 OG SER A 20 -15.102 -0.474 -9.884 1.00 0.00 O ATOM 0 H SER A 20 -14.728 -2.623 -8.603 1.00 0.00 H new ATOM 0 HA SER A 20 -13.200 -2.914 -11.124 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.525 -0.329 -11.199 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.848 -1.349 -11.729 1.00 0.00 H new ATOM 0 HG SER A 20 -15.550 0.309 -10.268 1.00 0.00 H new ATOM 252 N PRO A 21 -11.136 -1.925 -10.124 1.00 0.00 N ATOM 253 CA PRO A 21 -9.873 -1.541 -9.487 1.00 0.00 C ATOM 254 C PRO A 21 -9.770 -0.036 -9.264 1.00 0.00 C ATOM 255 O PRO A 21 -10.574 0.747 -9.771 1.00 0.00 O ATOM 256 CB PRO A 21 -8.814 -2.006 -10.490 1.00 0.00 C ATOM 257 CG PRO A 21 -9.516 -2.018 -11.804 1.00 0.00 C ATOM 258 CD PRO A 21 -10.943 -2.389 -11.508 1.00 0.00 C ATOM 0 HA PRO A 21 -9.766 -1.983 -8.497 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.959 -1.330 -10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.435 -2.995 -10.235 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.459 -1.042 -12.286 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.059 -2.737 -12.484 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.635 -1.903 -12.195 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.106 -3.463 -11.598 1.00 0.00 H new ATOM 266 N PRO A 22 -8.757 0.381 -8.489 1.00 0.00 N ATOM 267 CA PRO A 22 -8.525 1.796 -8.183 1.00 0.00 C ATOM 268 C PRO A 22 -8.047 2.581 -9.400 1.00 0.00 C ATOM 269 O PRO A 22 -7.935 2.037 -10.499 1.00 0.00 O ATOM 270 CB PRO A 22 -7.433 1.752 -7.112 1.00 0.00 C ATOM 271 CG PRO A 22 -6.721 0.465 -7.348 1.00 0.00 C ATOM 272 CD PRO A 22 -7.761 -0.497 -7.853 1.00 0.00 C ATOM 0 HA PRO A 22 -9.437 2.299 -7.861 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.756 2.601 -7.202 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.860 1.790 -6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.919 0.590 -8.076 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.263 0.098 -6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.340 -1.208 -8.564 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.198 -1.079 -7.042 1.00 0.00 H new ATOM 280 N LYS A 23 -7.764 3.864 -9.197 1.00 0.00 N ATOM 281 CA LYS A 23 -7.296 4.725 -10.276 1.00 0.00 C ATOM 282 C LYS A 23 -6.324 5.776 -9.750 1.00 0.00 C ATOM 283 O LYS A 23 -6.143 5.918 -8.541 1.00 0.00 O ATOM 284 CB LYS A 23 -8.481 5.407 -10.962 1.00 0.00 C ATOM 285 CG LYS A 23 -9.759 4.587 -10.929 1.00 0.00 C ATOM 286 CD LYS A 23 -10.902 5.307 -11.624 1.00 0.00 C ATOM 287 CE LYS A 23 -10.867 5.086 -13.129 1.00 0.00 C ATOM 288 NZ LYS A 23 -10.878 3.638 -13.477 1.00 0.00 N ATOM 0 H LYS A 23 -7.851 4.330 -8.294 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.773 4.104 -11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.664 6.368 -10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.219 5.614 -12.000 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.587 3.625 -11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.033 4.381 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.853 4.953 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.845 6.374 -11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.725 5.576 -13.588 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.974 5.553 -13.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.542 3.474 -14.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.923 3.343 -13.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.177 3.084 -12.649 1.00 0.00 H new ATOM 302 N ASP A 24 -5.703 6.512 -10.666 1.00 0.00 N ATOM 303 CA ASP A 24 -4.752 7.553 -10.294 1.00 0.00 C ATOM 304 C ASP A 24 -3.779 7.046 -9.233 1.00 0.00 C ATOM 305 O ASP A 24 -3.626 7.656 -8.174 1.00 0.00 O ATOM 306 CB ASP A 24 -5.491 8.788 -9.777 1.00 0.00 C ATOM 307 CG ASP A 24 -5.892 9.732 -10.894 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.686 9.318 -11.765 1.00 0.00 O ATOM 309 OD2 ASP A 24 -5.412 10.885 -10.897 1.00 0.00 O ATOM 0 H ASP A 24 -5.841 6.407 -11.671 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.183 7.825 -11.183 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.382 8.474 -9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.855 9.318 -9.068 1.00 0.00 H new ATOM 314 N VAL A 25 -3.125 5.927 -9.524 1.00 0.00 N ATOM 315 CA VAL A 25 -2.167 5.338 -8.596 1.00 0.00 C ATOM 316 C VAL A 25 -0.785 5.959 -8.764 1.00 0.00 C ATOM 317 O VAL A 25 -0.129 5.774 -9.790 1.00 0.00 O ATOM 318 CB VAL A 25 -2.060 3.814 -8.791 1.00 0.00 C ATOM 319 CG1 VAL A 25 -1.060 3.219 -7.811 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.425 3.160 -8.636 1.00 0.00 C ATOM 0 H VAL A 25 -3.241 5.410 -10.395 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.534 5.543 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.702 3.619 -9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.998 2.142 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.080 3.666 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.385 3.423 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.331 2.083 -8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.814 3.363 -7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.109 3.565 -9.382 1.00 0.00 H new ATOM 330 N THR A 26 -0.346 6.698 -7.750 1.00 0.00 N ATOM 331 CA THR A 26 0.958 7.348 -7.785 1.00 0.00 C ATOM 332 C THR A 26 1.787 6.984 -6.559 1.00 0.00 C ATOM 333 O THR A 26 1.245 6.752 -5.478 1.00 0.00 O ATOM 334 CB THR A 26 0.820 8.880 -7.862 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.034 9.348 -6.813 1.00 0.00 O ATOM 336 CG2 THR A 26 0.256 9.306 -9.210 1.00 0.00 C ATOM 0 H THR A 26 -0.875 6.861 -6.893 1.00 0.00 H new ATOM 0 HA THR A 26 1.465 6.991 -8.681 1.00 0.00 H new ATOM 0 HB THR A 26 1.811 9.318 -7.746 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.432 8.582 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.168 10.392 -9.241 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.923 8.974 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.728 8.858 -9.351 1.00 0.00 H new ATOM 344 N VAL A 27 3.104 6.938 -6.733 1.00 0.00 N ATOM 345 CA VAL A 27 4.008 6.604 -5.639 1.00 0.00 C ATOM 346 C VAL A 27 5.175 7.583 -5.573 1.00 0.00 C ATOM 347 O VAL A 27 5.971 7.681 -6.507 1.00 0.00 O ATOM 348 CB VAL A 27 4.560 5.173 -5.783 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.415 4.807 -4.579 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.422 4.180 -5.960 1.00 0.00 C ATOM 0 H VAL A 27 3.569 7.128 -7.621 1.00 0.00 H new ATOM 0 HA VAL A 27 3.429 6.670 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 27 5.190 5.132 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.796 3.793 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.251 5.502 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.811 4.863 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.829 3.174 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.765 4.221 -5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.855 4.433 -6.856 1.00 0.00 H new ATOM 360 N VAL A 28 5.272 8.306 -4.462 1.00 0.00 N ATOM 361 CA VAL A 28 6.344 9.277 -4.273 1.00 0.00 C ATOM 362 C VAL A 28 7.180 8.940 -3.043 1.00 0.00 C ATOM 363 O VAL A 28 6.859 8.016 -2.296 1.00 0.00 O ATOM 364 CB VAL A 28 5.787 10.706 -4.125 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.968 11.089 -5.349 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.955 10.825 -2.858 1.00 0.00 C ATOM 0 H VAL A 28 4.622 8.238 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 28 6.974 9.230 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 28 6.626 11.398 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.583 12.101 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.599 11.046 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.135 10.395 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.570 11.841 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.122 10.124 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.576 10.596 -1.992 1.00 0.00 H new ATOM 376 N SER A 29 8.254 9.696 -2.839 1.00 0.00 N ATOM 377 CA SER A 29 9.139 9.475 -1.702 1.00 0.00 C ATOM 378 C SER A 29 9.203 10.715 -0.815 1.00 0.00 C ATOM 379 O SER A 29 9.125 11.844 -1.299 1.00 0.00 O ATOM 380 CB SER A 29 10.543 9.107 -2.185 1.00 0.00 C ATOM 381 OG SER A 29 11.444 8.994 -1.097 1.00 0.00 O ATOM 0 H SER A 29 8.532 10.467 -3.446 1.00 0.00 H new ATOM 0 HA SER A 29 8.737 8.649 -1.115 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.508 8.164 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.902 9.865 -2.881 1.00 0.00 H new ATOM 0 HG SER A 29 12.309 9.382 -1.347 1.00 0.00 H new ATOM 387 N LYS A 30 9.345 10.496 0.488 1.00 0.00 N ATOM 388 CA LYS A 30 9.421 11.593 1.445 1.00 0.00 C ATOM 389 C LYS A 30 10.580 12.527 1.112 1.00 0.00 C ATOM 390 O LYS A 30 11.555 12.119 0.483 1.00 0.00 O ATOM 391 CB LYS A 30 9.584 11.048 2.866 1.00 0.00 C ATOM 392 CG LYS A 30 9.168 12.031 3.946 1.00 0.00 C ATOM 393 CD LYS A 30 7.732 11.800 4.387 1.00 0.00 C ATOM 394 CE LYS A 30 7.349 12.714 5.541 1.00 0.00 C ATOM 395 NZ LYS A 30 7.788 12.164 6.853 1.00 0.00 N ATOM 0 H LYS A 30 9.410 9.568 0.905 1.00 0.00 H new ATOM 0 HA LYS A 30 8.492 12.159 1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.992 10.138 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.626 10.769 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.833 11.933 4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.276 13.050 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.060 11.973 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.606 10.760 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.797 13.696 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.268 12.855 5.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.508 12.816 7.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.341 11.238 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.822 12.053 6.855 1.00 0.00 H new ATOM 409 N GLU A 31 10.465 13.781 1.539 1.00 0.00 N ATOM 410 CA GLU A 31 11.505 14.771 1.285 1.00 0.00 C ATOM 411 C GLU A 31 12.551 14.759 2.396 1.00 0.00 C ATOM 412 O GLU A 31 13.577 15.431 2.305 1.00 0.00 O ATOM 413 CB GLU A 31 10.891 16.168 1.163 1.00 0.00 C ATOM 414 CG GLU A 31 11.902 17.292 1.317 1.00 0.00 C ATOM 415 CD GLU A 31 11.290 18.661 1.091 1.00 0.00 C ATOM 416 OE1 GLU A 31 10.501 18.807 0.133 1.00 0.00 O ATOM 417 OE2 GLU A 31 11.600 19.586 1.870 1.00 0.00 O ATOM 0 H GLU A 31 9.664 14.135 2.061 1.00 0.00 H new ATOM 0 HA GLU A 31 11.995 14.513 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.405 16.259 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.115 16.282 1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.335 17.252 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.718 17.141 0.610 1.00 0.00 H new ATOM 424 N GLY A 32 12.282 13.988 3.446 1.00 0.00 N ATOM 425 CA GLY A 32 13.208 13.902 4.560 1.00 0.00 C ATOM 426 C GLY A 32 13.424 12.476 5.025 1.00 0.00 C ATOM 427 O GLY A 32 14.047 12.240 6.061 1.00 0.00 O ATOM 0 H GLY A 32 11.439 13.422 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.165 14.334 4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.829 14.498 5.390 1.00 0.00 H new ATOM 431 N LYS A 33 12.907 11.520 4.260 1.00 0.00 N ATOM 432 CA LYS A 33 13.046 10.109 4.599 1.00 0.00 C ATOM 433 C LYS A 33 12.968 9.239 3.349 1.00 0.00 C ATOM 434 O LYS A 33 11.898 9.021 2.780 1.00 0.00 O ATOM 435 CB LYS A 33 11.958 9.693 5.591 1.00 0.00 C ATOM 436 CG LYS A 33 12.043 8.235 6.012 1.00 0.00 C ATOM 437 CD LYS A 33 13.359 7.933 6.709 1.00 0.00 C ATOM 438 CE LYS A 33 13.231 6.744 7.649 1.00 0.00 C ATOM 439 NZ LYS A 33 12.320 7.036 8.791 1.00 0.00 N ATOM 0 H LYS A 33 12.387 11.697 3.400 1.00 0.00 H new ATOM 0 HA LYS A 33 14.024 9.966 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.027 10.323 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.981 9.877 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.214 7.999 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.939 7.595 5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.128 7.728 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.684 8.809 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.856 5.883 7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.216 6.474 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.566 6.426 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.420 8.033 9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.337 6.853 8.506 1.00 0.00 H new ATOM 453 N PRO A 34 14.128 8.728 2.909 1.00 0.00 N ATOM 454 CA PRO A 34 14.217 7.872 1.723 1.00 0.00 C ATOM 455 C PRO A 34 13.586 6.502 1.948 1.00 0.00 C ATOM 456 O PRO A 34 12.897 5.973 1.075 1.00 0.00 O ATOM 457 CB PRO A 34 15.725 7.735 1.496 1.00 0.00 C ATOM 458 CG PRO A 34 16.331 7.955 2.839 1.00 0.00 C ATOM 459 CD PRO A 34 15.442 8.947 3.537 1.00 0.00 C ATOM 0 HA PRO A 34 13.681 8.296 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.979 6.750 1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.085 8.468 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.389 7.021 3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.348 8.337 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.408 8.770 4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 34 15.791 9.970 3.393 1.00 0.00 H new ATOM 467 N LYS A 35 13.825 5.932 3.124 1.00 0.00 N ATOM 468 CA LYS A 35 13.279 4.623 3.465 1.00 0.00 C ATOM 469 C LYS A 35 11.760 4.683 3.588 1.00 0.00 C ATOM 470 O LYS A 35 11.096 3.654 3.719 1.00 0.00 O ATOM 471 CB LYS A 35 13.888 4.121 4.776 1.00 0.00 C ATOM 472 CG LYS A 35 15.299 3.579 4.624 1.00 0.00 C ATOM 473 CD LYS A 35 15.978 3.406 5.972 1.00 0.00 C ATOM 474 CE LYS A 35 17.492 3.362 5.832 1.00 0.00 C ATOM 475 NZ LYS A 35 17.965 2.040 5.337 1.00 0.00 N ATOM 0 H LYS A 35 14.393 6.356 3.857 1.00 0.00 H new ATOM 0 HA LYS A 35 13.534 3.930 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.897 4.937 5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.250 3.339 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.268 2.621 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.886 4.257 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.696 4.228 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.628 2.487 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.816 4.144 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.952 3.574 6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.002 2.051 5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.678 1.296 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.546 1.848 4.405 1.00 0.00 H new ATOM 489 N THR A 36 11.214 5.894 3.542 1.00 0.00 N ATOM 490 CA THR A 36 9.774 6.088 3.648 1.00 0.00 C ATOM 491 C THR A 36 9.195 6.630 2.345 1.00 0.00 C ATOM 492 O THR A 36 9.782 7.508 1.713 1.00 0.00 O ATOM 493 CB THR A 36 9.419 7.053 4.795 1.00 0.00 C ATOM 494 OG1 THR A 36 9.741 6.455 6.055 1.00 0.00 O ATOM 495 CG2 THR A 36 7.941 7.412 4.762 1.00 0.00 C ATOM 0 H THR A 36 11.748 6.756 3.432 1.00 0.00 H new ATOM 0 HA THR A 36 9.338 5.111 3.858 1.00 0.00 H new ATOM 0 HB THR A 36 10.002 7.965 4.666 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.385 7.009 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.714 8.094 5.581 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.705 7.893 3.813 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.344 6.506 4.868 1.00 0.00 H new ATOM 503 N ILE A 37 8.041 6.102 1.951 1.00 0.00 N ATOM 504 CA ILE A 37 7.383 6.535 0.725 1.00 0.00 C ATOM 505 C ILE A 37 5.885 6.721 0.941 1.00 0.00 C ATOM 506 O ILE A 37 5.301 6.132 1.851 1.00 0.00 O ATOM 507 CB ILE A 37 7.603 5.527 -0.419 1.00 0.00 C ATOM 508 CG1 ILE A 37 6.982 4.174 -0.062 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.089 5.373 -0.710 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.615 3.341 -1.270 1.00 0.00 C ATOM 0 H ILE A 37 7.543 5.374 2.463 1.00 0.00 H new ATOM 0 HA ILE A 37 7.830 7.490 0.448 1.00 0.00 H new ATOM 0 HB ILE A 37 7.114 5.905 -1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.683 3.613 0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.088 4.341 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.229 4.658 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.505 6.338 -1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.599 5.013 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.181 2.396 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.890 3.882 -1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.509 3.143 -1.861 1.00 0.00 H new ATOM 522 N ILE A 38 5.269 7.544 0.099 1.00 0.00 N ATOM 523 CA ILE A 38 3.839 7.805 0.196 1.00 0.00 C ATOM 524 C ILE A 38 3.113 7.373 -1.073 1.00 0.00 C ATOM 525 O ILE A 38 3.381 7.886 -2.160 1.00 0.00 O ATOM 526 CB ILE A 38 3.556 9.297 0.453 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.243 9.755 1.741 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.057 9.547 0.529 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.657 10.250 1.528 1.00 0.00 C ATOM 0 H ILE A 38 5.738 8.041 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 38 3.469 7.222 1.039 1.00 0.00 H new ATOM 0 HB ILE A 38 3.960 9.876 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.653 10.551 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.259 8.926 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.874 10.606 0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.591 9.255 -0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.631 8.960 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.082 10.558 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.262 9.450 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.646 11.099 0.845 1.00 0.00 H new ATOM 541 N VAL A 39 2.191 6.427 -0.928 1.00 0.00 N ATOM 542 CA VAL A 39 1.423 5.927 -2.063 1.00 0.00 C ATOM 543 C VAL A 39 0.049 6.585 -2.130 1.00 0.00 C ATOM 544 O VAL A 39 -0.842 6.265 -1.345 1.00 0.00 O ATOM 545 CB VAL A 39 1.245 4.399 -1.990 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.398 3.904 -3.152 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.599 3.705 -1.973 1.00 0.00 C ATOM 0 H VAL A 39 1.957 5.991 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 39 1.987 6.178 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 39 0.726 4.155 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.283 2.822 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.584 4.376 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.887 4.158 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.454 2.626 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.147 3.954 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.167 4.037 -1.104 1.00 0.00 H new ATOM 557 N ASN A 40 -0.114 7.507 -3.073 1.00 0.00 N ATOM 558 CA ASN A 40 -1.380 8.211 -3.243 1.00 0.00 C ATOM 559 C ASN A 40 -2.211 7.574 -4.352 1.00 0.00 C ATOM 560 O ASN A 40 -1.743 7.416 -5.480 1.00 0.00 O ATOM 561 CB ASN A 40 -1.128 9.686 -3.562 1.00 0.00 C ATOM 562 CG ASN A 40 -0.031 10.284 -2.702 1.00 0.00 C ATOM 563 OD1 ASN A 40 -0.301 10.910 -1.677 1.00 0.00 O ATOM 564 ND2 ASN A 40 1.216 10.093 -3.117 1.00 0.00 N ATOM 0 H ASN A 40 0.614 7.784 -3.731 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.937 8.138 -2.309 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.857 9.787 -4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.049 10.249 -3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.996 10.472 -2.580 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.394 9.568 -3.973 1.00 0.00 H new ATOM 571 N TRP A 41 -3.446 7.213 -4.024 1.00 0.00 N ATOM 572 CA TRP A 41 -4.344 6.594 -4.993 1.00 0.00 C ATOM 573 C TRP A 41 -5.736 7.212 -4.918 1.00 0.00 C ATOM 574 O TRP A 41 -5.969 8.145 -4.150 1.00 0.00 O ATOM 575 CB TRP A 41 -4.429 5.086 -4.750 1.00 0.00 C ATOM 576 CG TRP A 41 -5.073 4.730 -3.445 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.407 4.554 -3.210 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.411 4.509 -2.195 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.614 4.237 -1.890 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.406 4.202 -1.246 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.076 4.537 -1.785 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.104 3.927 0.086 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.778 4.265 -0.464 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.788 3.963 0.459 1.00 0.00 C ATOM 0 H TRP A 41 -3.849 7.338 -3.095 1.00 0.00 H new ATOM 0 HA TRP A 41 -3.941 6.772 -5.990 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.992 4.626 -5.562 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.425 4.663 -4.778 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.185 4.650 -3.953 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.521 4.057 -1.459 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.290 4.767 -2.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.881 3.694 0.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.749 4.285 -0.137 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.523 3.755 1.485 1.00 0.00 H new ATOM 595 N GLN A 42 -6.656 6.687 -5.720 1.00 0.00 N ATOM 596 CA GLN A 42 -8.025 7.189 -5.744 1.00 0.00 C ATOM 597 C GLN A 42 -9.017 6.056 -5.982 1.00 0.00 C ATOM 598 O GLN A 42 -8.762 5.126 -6.747 1.00 0.00 O ATOM 599 CB GLN A 42 -8.181 8.256 -6.829 1.00 0.00 C ATOM 600 CG GLN A 42 -9.550 8.257 -7.489 1.00 0.00 C ATOM 601 CD GLN A 42 -9.980 9.639 -7.939 1.00 0.00 C ATOM 602 OE1 GLN A 42 -10.287 9.855 -9.112 1.00 0.00 O ATOM 603 NE2 GLN A 42 -10.005 10.584 -7.007 1.00 0.00 N ATOM 0 H GLN A 42 -6.479 5.914 -6.362 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.238 7.635 -4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.997 9.237 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.419 8.100 -7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.535 7.587 -8.349 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.287 7.861 -6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.743 10.361 -6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.287 11.534 -7.251 1.00 0.00 H new ATOM 612 N PRO A 43 -10.176 6.132 -5.312 1.00 0.00 N ATOM 613 CA PRO A 43 -11.230 5.121 -5.435 1.00 0.00 C ATOM 614 C PRO A 43 -11.905 5.151 -6.802 1.00 0.00 C ATOM 615 O PRO A 43 -11.797 6.119 -7.554 1.00 0.00 O ATOM 616 CB PRO A 43 -12.225 5.510 -4.339 1.00 0.00 C ATOM 617 CG PRO A 43 -12.011 6.970 -4.133 1.00 0.00 C ATOM 618 CD PRO A 43 -10.548 7.213 -4.383 1.00 0.00 C ATOM 0 HA PRO A 43 -10.838 4.109 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.250 5.299 -4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.043 4.950 -3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.626 7.555 -4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.289 7.266 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.373 8.196 -4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.970 7.167 -3.460 1.00 0.00 H new ATOM 626 N PRO A 44 -12.620 4.065 -7.134 1.00 0.00 N ATOM 627 CA PRO A 44 -13.327 3.943 -8.412 1.00 0.00 C ATOM 628 C PRO A 44 -14.527 4.880 -8.501 1.00 0.00 C ATOM 629 O PRO A 44 -15.068 5.311 -7.483 1.00 0.00 O ATOM 630 CB PRO A 44 -13.788 2.483 -8.424 1.00 0.00 C ATOM 631 CG PRO A 44 -13.876 2.101 -6.987 1.00 0.00 C ATOM 632 CD PRO A 44 -12.792 2.873 -6.286 1.00 0.00 C ATOM 0 HA PRO A 44 -12.692 4.211 -9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.752 2.376 -8.922 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.081 1.849 -8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.856 2.345 -6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.736 1.028 -6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.082 3.141 -5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.870 2.296 -6.213 1.00 0.00 H new ATOM 640 N SER A 45 -14.938 5.193 -9.726 1.00 0.00 N ATOM 641 CA SER A 45 -16.071 6.082 -9.949 1.00 0.00 C ATOM 642 C SER A 45 -17.390 5.327 -9.809 1.00 0.00 C ATOM 643 O SER A 45 -18.443 5.815 -10.217 1.00 0.00 O ATOM 644 CB SER A 45 -15.981 6.720 -11.336 1.00 0.00 C ATOM 645 OG SER A 45 -15.220 7.915 -11.299 1.00 0.00 O ATOM 0 H SER A 45 -14.502 4.843 -10.579 1.00 0.00 H new ATOM 0 HA SER A 45 -16.039 6.867 -9.193 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.527 6.017 -12.034 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.983 6.935 -11.707 1.00 0.00 H new ATOM 0 HG SER A 45 -15.176 8.303 -12.198 1.00 0.00 H new ATOM 651 N GLU A 46 -17.322 4.133 -9.228 1.00 0.00 N ATOM 652 CA GLU A 46 -18.510 3.310 -9.035 1.00 0.00 C ATOM 653 C GLU A 46 -18.875 3.221 -7.556 1.00 0.00 C ATOM 654 O GLU A 46 -20.013 3.486 -7.170 1.00 0.00 O ATOM 655 CB GLU A 46 -18.283 1.906 -9.601 1.00 0.00 C ATOM 656 CG GLU A 46 -18.257 1.859 -11.119 1.00 0.00 C ATOM 657 CD GLU A 46 -18.579 0.482 -11.666 1.00 0.00 C ATOM 658 OE1 GLU A 46 -19.762 0.086 -11.618 1.00 0.00 O ATOM 659 OE2 GLU A 46 -17.647 -0.200 -12.142 1.00 0.00 O ATOM 0 H GLU A 46 -16.458 3.715 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.337 3.779 -9.568 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -17.340 1.517 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -19.071 1.246 -9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -18.974 2.579 -11.513 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.272 2.164 -11.471 1.00 0.00 H new ATOM 666 N ALA A 47 -17.901 2.845 -6.733 1.00 0.00 N ATOM 667 CA ALA A 47 -18.119 2.723 -5.297 1.00 0.00 C ATOM 668 C ALA A 47 -19.536 2.248 -4.996 1.00 0.00 C ATOM 669 O ALA A 47 -20.207 2.787 -4.116 1.00 0.00 O ATOM 670 CB ALA A 47 -17.847 4.051 -4.607 1.00 0.00 C ATOM 0 H ALA A 47 -16.954 2.620 -7.036 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.424 1.977 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.014 3.945 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.814 4.349 -4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.518 4.812 -5.005 1.00 0.00 H new ATOM 676 N ASN A 48 -19.986 1.237 -5.732 1.00 0.00 N ATOM 677 CA ASN A 48 -21.326 0.691 -5.543 1.00 0.00 C ATOM 678 C ASN A 48 -21.715 0.702 -4.068 1.00 0.00 C ATOM 679 O ASN A 48 -22.889 0.838 -3.726 1.00 0.00 O ATOM 680 CB ASN A 48 -21.399 -0.736 -6.091 1.00 0.00 C ATOM 681 CG ASN A 48 -20.983 -0.818 -7.547 1.00 0.00 C ATOM 682 OD1 ASN A 48 -21.429 -0.026 -8.378 1.00 0.00 O ATOM 683 ND2 ASN A 48 -20.123 -1.780 -7.863 1.00 0.00 N ATOM 0 H ASN A 48 -19.443 0.779 -6.464 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.028 1.320 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.756 -1.384 -5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.417 -1.111 -5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.806 -1.885 -8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.779 -2.414 -7.142 1.00 0.00 H new ATOM 690 N GLY A 49 -20.720 0.559 -3.198 1.00 0.00 N ATOM 691 CA GLY A 49 -20.978 0.555 -1.770 1.00 0.00 C ATOM 692 C GLY A 49 -20.028 1.458 -1.007 1.00 0.00 C ATOM 693 O GLY A 49 -18.991 1.865 -1.531 1.00 0.00 O ATOM 0 H GLY A 49 -19.740 0.446 -3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.004 0.875 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.890 -0.463 -1.391 1.00 0.00 H new ATOM 697 N LYS A 50 -20.383 1.772 0.234 1.00 0.00 N ATOM 698 CA LYS A 50 -19.556 2.633 1.072 1.00 0.00 C ATOM 699 C LYS A 50 -18.197 1.991 1.336 1.00 0.00 C ATOM 700 O LYS A 50 -18.109 0.945 1.980 1.00 0.00 O ATOM 701 CB LYS A 50 -20.263 2.920 2.398 1.00 0.00 C ATOM 702 CG LYS A 50 -19.415 3.710 3.381 1.00 0.00 C ATOM 703 CD LYS A 50 -20.211 4.101 4.615 1.00 0.00 C ATOM 704 CE LYS A 50 -20.124 3.034 5.695 1.00 0.00 C ATOM 705 NZ LYS A 50 -20.937 3.389 6.891 1.00 0.00 N ATOM 0 H LYS A 50 -21.238 1.443 0.682 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.398 3.572 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.182 3.472 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.552 1.975 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.551 3.115 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.033 4.607 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.837 5.047 5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.254 4.259 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.467 2.081 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.083 2.900 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.852 2.637 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.594 4.286 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.934 3.492 6.615 1.00 0.00 H new ATOM 719 N ILE A 51 -17.142 2.625 0.837 1.00 0.00 N ATOM 720 CA ILE A 51 -15.788 2.117 1.023 1.00 0.00 C ATOM 721 C ILE A 51 -15.340 2.263 2.473 1.00 0.00 C ATOM 722 O ILE A 51 -15.212 3.375 2.987 1.00 0.00 O ATOM 723 CB ILE A 51 -14.783 2.846 0.111 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.277 2.838 -1.337 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.410 2.199 0.212 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.172 1.484 -2.004 1.00 0.00 C ATOM 0 H ILE A 51 -17.198 3.491 0.301 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.808 1.060 0.756 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.700 3.882 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.316 3.165 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.702 3.563 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.711 2.725 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.058 2.252 1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.476 1.155 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.540 1.553 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.130 1.163 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.770 0.759 -1.452 1.00 0.00 H new ATOM 738 N THR A 52 -15.100 1.132 3.129 1.00 0.00 N ATOM 739 CA THR A 52 -14.665 1.133 4.520 1.00 0.00 C ATOM 740 C THR A 52 -13.167 1.394 4.628 1.00 0.00 C ATOM 741 O THR A 52 -12.686 1.900 5.640 1.00 0.00 O ATOM 742 CB THR A 52 -14.993 -0.204 5.212 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.587 -1.298 4.382 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.482 -0.309 5.508 1.00 0.00 C ATOM 0 H THR A 52 -15.200 0.203 2.719 1.00 0.00 H new ATOM 0 HA THR A 52 -15.207 1.935 5.020 1.00 0.00 H new ATOM 0 HB THR A 52 -14.448 -0.243 6.155 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.798 -2.144 4.830 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.690 -1.261 5.996 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.781 0.508 6.164 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.043 -0.250 4.576 1.00 0.00 H new ATOM 752 N GLY A 53 -12.433 1.045 3.575 1.00 0.00 N ATOM 753 CA GLY A 53 -10.997 1.250 3.572 1.00 0.00 C ATOM 754 C GLY A 53 -10.323 0.615 2.371 1.00 0.00 C ATOM 755 O GLY A 53 -10.985 0.256 1.397 1.00 0.00 O ATOM 0 H GLY A 53 -12.808 0.624 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.786 2.319 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.572 0.834 4.485 1.00 0.00 H new ATOM 759 N TYR A 54 -9.004 0.478 2.439 1.00 0.00 N ATOM 760 CA TYR A 54 -8.240 -0.113 1.347 1.00 0.00 C ATOM 761 C TYR A 54 -7.020 -0.860 1.877 1.00 0.00 C ATOM 762 O TYR A 54 -6.497 -0.538 2.945 1.00 0.00 O ATOM 763 CB TYR A 54 -7.799 0.969 0.360 1.00 0.00 C ATOM 764 CG TYR A 54 -8.910 1.915 -0.037 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.358 2.899 0.836 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.512 1.825 -1.287 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.373 3.764 0.477 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.527 2.687 -1.654 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.954 3.655 -0.769 1.00 0.00 C ATOM 770 OH TYR A 54 -11.965 4.516 -1.131 1.00 0.00 O ATOM 0 H TYR A 54 -8.441 0.768 3.239 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.884 -0.825 0.831 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.985 1.543 0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.402 0.492 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.905 2.989 1.812 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.180 1.068 -1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.710 4.522 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.984 2.603 -2.629 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.599 5.416 -1.257 1.00 0.00 H new ATOM 780 N ILE A 55 -6.572 -1.858 1.124 1.00 0.00 N ATOM 781 CA ILE A 55 -5.413 -2.650 1.516 1.00 0.00 C ATOM 782 C ILE A 55 -4.300 -2.547 0.479 1.00 0.00 C ATOM 783 O ILE A 55 -4.562 -2.466 -0.722 1.00 0.00 O ATOM 784 CB ILE A 55 -5.783 -4.133 1.710 1.00 0.00 C ATOM 785 CG1 ILE A 55 -6.841 -4.278 2.806 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.545 -4.948 2.050 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.524 -5.627 2.811 1.00 0.00 C ATOM 0 H ILE A 55 -6.994 -2.138 0.239 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.061 -2.245 2.465 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.199 -4.513 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.372 -4.113 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.593 -3.499 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.823 -5.993 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.821 -4.866 1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.102 -4.570 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.261 -5.659 3.613 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.022 -5.786 1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.782 -6.410 2.969 1.00 0.00 H new ATOM 799 N ILE A 56 -3.057 -2.553 0.950 1.00 0.00 N ATOM 800 CA ILE A 56 -1.904 -2.463 0.063 1.00 0.00 C ATOM 801 C ILE A 56 -0.962 -3.645 0.265 1.00 0.00 C ATOM 802 O ILE A 56 -0.624 -3.997 1.396 1.00 0.00 O ATOM 803 CB ILE A 56 -1.123 -1.154 0.285 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.997 0.052 -0.066 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.152 -1.151 -0.545 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.444 1.366 0.439 1.00 0.00 C ATOM 0 H ILE A 56 -2.823 -2.619 1.941 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.288 -2.478 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.848 -1.086 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.109 0.106 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.993 -0.098 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.693 -0.220 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.779 -1.993 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.101 -1.238 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.115 2.177 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.358 1.331 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.460 1.539 0.002 1.00 0.00 H new ATOM 818 N TYR A 57 -0.538 -4.252 -0.838 1.00 0.00 N ATOM 819 CA TYR A 57 0.365 -5.395 -0.782 1.00 0.00 C ATOM 820 C TYR A 57 1.697 -5.070 -1.452 1.00 0.00 C ATOM 821 O TYR A 57 1.759 -4.848 -2.661 1.00 0.00 O ATOM 822 CB TYR A 57 -0.274 -6.611 -1.456 1.00 0.00 C ATOM 823 CG TYR A 57 -1.718 -6.830 -1.066 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.726 -6.023 -1.579 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.074 -7.842 -0.183 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.047 -6.219 -1.224 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.392 -8.046 0.175 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.375 -7.232 -0.348 1.00 0.00 C ATOM 829 OH TYR A 57 -5.690 -7.431 0.008 1.00 0.00 O ATOM 0 H TYR A 57 -0.805 -3.971 -1.782 1.00 0.00 H new ATOM 0 HA TYR A 57 0.553 -5.626 0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.213 -6.490 -2.538 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.301 -7.501 -1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.473 -5.229 -2.267 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.307 -8.480 0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.819 -5.582 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.652 -8.839 0.861 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.750 -8.185 0.631 1.00 0.00 H new ATOM 839 N TYR A 58 2.761 -5.044 -0.657 1.00 0.00 N ATOM 840 CA TYR A 58 4.092 -4.745 -1.171 1.00 0.00 C ATOM 841 C TYR A 58 5.056 -5.894 -0.890 1.00 0.00 C ATOM 842 O TYR A 58 4.977 -6.545 0.152 1.00 0.00 O ATOM 843 CB TYR A 58 4.624 -3.454 -0.546 1.00 0.00 C ATOM 844 CG TYR A 58 5.042 -3.608 0.899 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.235 -4.235 1.235 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.243 -3.125 1.929 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.620 -4.378 2.554 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.620 -3.263 3.250 1.00 0.00 C ATOM 849 CZ TYR A 58 5.810 -3.891 3.558 1.00 0.00 C ATOM 850 OH TYR A 58 6.190 -4.031 4.873 1.00 0.00 O ATOM 0 H TYR A 58 2.727 -5.226 0.346 1.00 0.00 H new ATOM 0 HA TYR A 58 4.016 -4.615 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.477 -3.104 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.855 -2.684 -0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.873 -4.617 0.452 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.311 -2.633 1.692 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.551 -4.869 2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.987 -2.882 4.038 1.00 0.00 H new ATOM 0 HH TYR A 58 5.509 -3.633 5.454 1.00 0.00 H new ATOM 860 N SER A 59 5.966 -6.136 -1.828 1.00 0.00 N ATOM 861 CA SER A 59 6.944 -7.208 -1.685 1.00 0.00 C ATOM 862 C SER A 59 8.022 -7.107 -2.759 1.00 0.00 C ATOM 863 O SER A 59 7.765 -6.652 -3.874 1.00 0.00 O ATOM 864 CB SER A 59 6.254 -8.571 -1.766 1.00 0.00 C ATOM 865 OG SER A 59 5.823 -9.002 -0.486 1.00 0.00 O ATOM 0 H SER A 59 6.046 -5.604 -2.695 1.00 0.00 H new ATOM 0 HA SER A 59 7.418 -7.106 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.399 -8.510 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.940 -9.305 -2.188 1.00 0.00 H new ATOM 0 HG SER A 59 5.442 -8.243 0.004 1.00 0.00 H new ATOM 871 N THR A 60 9.233 -7.534 -2.415 1.00 0.00 N ATOM 872 CA THR A 60 10.352 -7.491 -3.348 1.00 0.00 C ATOM 873 C THR A 60 10.109 -8.408 -4.541 1.00 0.00 C ATOM 874 O THR A 60 10.644 -8.184 -5.627 1.00 0.00 O ATOM 875 CB THR A 60 11.671 -7.898 -2.663 1.00 0.00 C ATOM 876 OG1 THR A 60 11.596 -9.260 -2.226 1.00 0.00 O ATOM 877 CG2 THR A 60 11.965 -6.995 -1.475 1.00 0.00 C ATOM 0 H THR A 60 9.464 -7.914 -1.497 1.00 0.00 H new ATOM 0 HA THR A 60 10.434 -6.461 -3.695 1.00 0.00 H new ATOM 0 HB THR A 60 12.478 -7.793 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.439 -9.512 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.901 -7.302 -1.008 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.050 -5.963 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.155 -7.072 -0.750 1.00 0.00 H new ATOM 885 N ASP A 61 9.298 -9.439 -4.333 1.00 0.00 N ATOM 886 CA ASP A 61 8.982 -10.389 -5.393 1.00 0.00 C ATOM 887 C ASP A 61 7.728 -9.963 -6.149 1.00 0.00 C ATOM 888 O ASP A 61 6.748 -9.521 -5.549 1.00 0.00 O ATOM 889 CB ASP A 61 8.790 -11.791 -4.811 1.00 0.00 C ATOM 890 CG ASP A 61 10.098 -12.544 -4.672 1.00 0.00 C ATOM 891 OD1 ASP A 61 11.071 -11.955 -4.156 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.149 -13.724 -5.078 1.00 0.00 O ATOM 0 H ASP A 61 8.847 -9.638 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 61 9.818 -10.406 -6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.313 -11.713 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.114 -12.358 -5.451 1.00 0.00 H new ATOM 897 N VAL A 62 7.765 -10.097 -7.471 1.00 0.00 N ATOM 898 CA VAL A 62 6.632 -9.726 -8.310 1.00 0.00 C ATOM 899 C VAL A 62 5.814 -10.951 -8.703 1.00 0.00 C ATOM 900 O VAL A 62 4.709 -10.830 -9.230 1.00 0.00 O ATOM 901 CB VAL A 62 7.093 -8.999 -9.587 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.922 -9.928 -10.460 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.895 -8.460 -10.354 1.00 0.00 C ATOM 0 H VAL A 62 8.568 -10.460 -7.984 1.00 0.00 H new ATOM 0 HA VAL A 62 6.010 -9.051 -7.721 1.00 0.00 H new ATOM 0 HB VAL A 62 7.720 -8.155 -9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.239 -9.397 -11.358 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.800 -10.261 -9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.322 -10.793 -10.743 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.239 -7.949 -11.253 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.240 -9.286 -10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.346 -7.758 -9.726 1.00 0.00 H new ATOM 913 N ASN A 63 6.365 -12.132 -8.442 1.00 0.00 N ATOM 914 CA ASN A 63 5.687 -13.381 -8.769 1.00 0.00 C ATOM 915 C ASN A 63 5.235 -14.102 -7.502 1.00 0.00 C ATOM 916 O ASN A 63 4.317 -14.921 -7.536 1.00 0.00 O ATOM 917 CB ASN A 63 6.610 -14.289 -9.584 1.00 0.00 C ATOM 918 CG ASN A 63 7.862 -14.676 -8.821 1.00 0.00 C ATOM 919 OD1 ASN A 63 7.809 -15.471 -7.882 1.00 0.00 O ATOM 920 ND2 ASN A 63 8.996 -14.114 -9.221 1.00 0.00 N ATOM 0 H ASN A 63 7.279 -12.250 -8.005 1.00 0.00 H new ATOM 0 HA ASN A 63 4.806 -13.142 -9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.068 -15.191 -9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.892 -13.782 -10.506 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.871 -14.336 -8.745 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.993 -13.460 -10.004 1.00 0.00 H new ATOM 927 N ALA A 64 5.887 -13.791 -6.387 1.00 0.00 N ATOM 928 CA ALA A 64 5.550 -14.407 -5.109 1.00 0.00 C ATOM 929 C ALA A 64 4.040 -14.456 -4.904 1.00 0.00 C ATOM 930 O ALA A 64 3.340 -13.475 -5.147 1.00 0.00 O ATOM 931 CB ALA A 64 6.216 -13.652 -3.968 1.00 0.00 C ATOM 0 H ALA A 64 6.651 -13.117 -6.342 1.00 0.00 H new ATOM 0 HA ALA A 64 5.922 -15.432 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.956 -14.122 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.298 -13.674 -4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.872 -12.618 -3.966 1.00 0.00 H new ATOM 937 N GLU A 65 3.546 -15.606 -4.456 1.00 0.00 N ATOM 938 CA GLU A 65 2.118 -15.782 -4.220 1.00 0.00 C ATOM 939 C GLU A 65 1.548 -14.608 -3.429 1.00 0.00 C ATOM 940 O GLU A 65 2.065 -14.250 -2.371 1.00 0.00 O ATOM 941 CB GLU A 65 1.860 -17.090 -3.468 1.00 0.00 C ATOM 942 CG GLU A 65 1.783 -18.308 -4.374 1.00 0.00 C ATOM 943 CD GLU A 65 3.106 -18.620 -5.045 1.00 0.00 C ATOM 944 OE1 GLU A 65 3.977 -19.226 -4.385 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.272 -18.259 -6.229 1.00 0.00 O ATOM 0 H GLU A 65 4.113 -16.428 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 65 1.619 -15.823 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.654 -17.241 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.927 -17.002 -2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.464 -19.171 -3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.023 -18.141 -5.137 1.00 0.00 H new ATOM 952 N ILE A 66 0.480 -14.014 -3.952 1.00 0.00 N ATOM 953 CA ILE A 66 -0.160 -12.881 -3.295 1.00 0.00 C ATOM 954 C ILE A 66 -0.232 -13.088 -1.786 1.00 0.00 C ATOM 955 O ILE A 66 -0.286 -12.127 -1.018 1.00 0.00 O ATOM 956 CB ILE A 66 -1.582 -12.645 -3.838 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.123 -11.301 -3.347 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.504 -13.780 -3.417 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.371 -10.110 -3.896 1.00 0.00 C ATOM 0 H ILE A 66 0.040 -14.298 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 66 0.452 -12.005 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.540 -12.621 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.173 -11.217 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.080 -11.277 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.505 -13.599 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.125 -14.722 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.543 -13.832 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.809 -9.192 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.325 -10.170 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.436 -10.109 -4.984 1.00 0.00 H new ATOM 971 N HIS A 67 -0.231 -14.350 -1.367 1.00 0.00 N ATOM 972 CA HIS A 67 -0.294 -14.684 0.051 1.00 0.00 C ATOM 973 C HIS A 67 1.005 -14.305 0.757 1.00 0.00 C ATOM 974 O HIS A 67 0.986 -13.748 1.854 1.00 0.00 O ATOM 975 CB HIS A 67 -0.570 -16.177 0.233 1.00 0.00 C ATOM 976 CG HIS A 67 0.667 -17.021 0.215 1.00 0.00 C ATOM 977 ND1 HIS A 67 1.721 -17.066 1.064 1.00 0.00 N flip ATOM 978 CD2 HIS A 67 0.926 -17.957 -0.764 1.00 0.00 C flip ATOM 979 CE1 HIS A 67 2.587 -18.019 0.588 1.00 0.00 C flip ATOM 980 NE2 HIS A 67 2.085 -18.541 -0.516 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.187 -15.157 -1.989 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.109 -14.114 0.497 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.090 -16.329 1.179 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.241 -16.513 -0.558 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.282 -18.178 -1.602 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.526 -18.297 1.043 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.518 -19.271 -1.081 1.00 0.00 H new ATOM 989 N ASP A 68 2.130 -14.611 0.119 1.00 0.00 N ATOM 990 CA ASP A 68 3.437 -14.302 0.686 1.00 0.00 C ATOM 991 C ASP A 68 3.598 -12.800 0.895 1.00 0.00 C ATOM 992 O ASP A 68 4.302 -12.362 1.805 1.00 0.00 O ATOM 993 CB ASP A 68 4.548 -14.823 -0.227 1.00 0.00 C ATOM 994 CG ASP A 68 5.927 -14.636 0.374 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.190 -15.214 1.449 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.744 -13.911 -0.232 1.00 0.00 O ATOM 0 H ASP A 68 2.163 -15.072 -0.790 1.00 0.00 H new ATOM 0 HA ASP A 68 3.511 -14.796 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.383 -15.882 -0.428 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.499 -14.306 -1.185 1.00 0.00 H new ATOM 1001 N TRP A 69 2.941 -12.016 0.047 1.00 0.00 N ATOM 1002 CA TRP A 69 3.012 -10.562 0.140 1.00 0.00 C ATOM 1003 C TRP A 69 2.480 -10.075 1.483 1.00 0.00 C ATOM 1004 O TRP A 69 1.661 -10.742 2.116 1.00 0.00 O ATOM 1005 CB TRP A 69 2.221 -9.919 -1.000 1.00 0.00 C ATOM 1006 CG TRP A 69 2.842 -10.131 -2.348 1.00 0.00 C ATOM 1007 CD1 TRP A 69 3.191 -11.326 -2.911 1.00 0.00 C ATOM 1008 CD2 TRP A 69 3.188 -9.120 -3.301 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.734 -11.118 -4.156 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.742 -9.773 -4.419 1.00 0.00 C ATOM 1011 CE3 TRP A 69 3.082 -7.727 -3.319 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 4.189 -9.080 -5.540 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.526 -7.040 -4.433 1.00 0.00 C ATOM 1014 CH2 TRP A 69 4.073 -7.716 -5.531 1.00 0.00 C ATOM 0 H TRP A 69 2.354 -12.362 -0.712 1.00 0.00 H new ATOM 0 HA TRP A 69 4.058 -10.268 0.058 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.210 -10.326 -1.006 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.133 -8.849 -0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.059 -12.292 -2.446 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.076 -11.847 -4.783 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.661 -7.197 -2.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.612 -9.600 -6.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.450 -5.963 -4.457 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.410 -7.150 -6.387 1.00 0.00 H new ATOM 1025 N VAL A 70 2.949 -8.908 1.913 1.00 0.00 N ATOM 1026 CA VAL A 70 2.518 -8.331 3.180 1.00 0.00 C ATOM 1027 C VAL A 70 1.176 -7.624 3.035 1.00 0.00 C ATOM 1028 O VAL A 70 0.804 -7.195 1.942 1.00 0.00 O ATOM 1029 CB VAL A 70 3.556 -7.332 3.724 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.520 -6.037 2.926 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.314 -7.063 5.202 1.00 0.00 C ATOM 0 H VAL A 70 3.628 -8.344 1.402 1.00 0.00 H new ATOM 0 HA VAL A 70 2.415 -9.157 3.884 1.00 0.00 H new ATOM 0 HB VAL A 70 4.548 -7.771 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.260 -5.343 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.746 -6.247 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.528 -5.591 3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.057 -6.355 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.316 -6.645 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.395 -7.996 5.760 1.00 0.00 H new ATOM 1041 N ILE A 71 0.452 -7.505 4.143 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.849 -6.847 4.138 1.00 0.00 C ATOM 1043 C ILE A 71 -0.791 -5.508 4.866 1.00 0.00 C ATOM 1044 O ILE A 71 -0.619 -5.460 6.083 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.927 -7.729 4.795 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.198 -8.966 3.936 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.207 -6.933 5.005 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -3.016 -10.025 4.642 1.00 0.00 C ATOM 0 H ILE A 71 0.744 -7.855 5.055 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.114 -6.679 3.094 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.563 -8.058 5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.719 -8.661 3.028 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.247 -9.399 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.959 -7.570 5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.003 -6.080 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.577 -6.578 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.169 -10.872 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.487 -10.358 5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.982 -9.609 4.927 1.00 0.00 H new ATOM 1060 N GLU A 72 -0.936 -4.424 4.111 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.901 -3.084 4.685 1.00 0.00 C ATOM 1062 C GLU A 72 -2.295 -2.461 4.698 1.00 0.00 C ATOM 1063 O GLU A 72 -2.690 -1.744 3.779 1.00 0.00 O ATOM 1064 CB GLU A 72 0.060 -2.193 3.896 1.00 0.00 C ATOM 1065 CG GLU A 72 1.491 -2.243 4.404 1.00 0.00 C ATOM 1066 CD GLU A 72 1.577 -2.175 5.916 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.458 -1.060 6.467 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.763 -3.235 6.549 1.00 0.00 O ATOM 0 H GLU A 72 -1.079 -4.447 3.101 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.549 -3.166 5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.044 -2.494 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.296 -1.163 3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.963 -3.163 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.054 -1.414 3.974 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.057 -2.741 5.765 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.418 -2.219 5.925 1.00 0.00 C ATOM 1077 C PRO A 73 -4.435 -0.717 6.184 1.00 0.00 C ATOM 1078 O PRO A 73 -3.716 -0.218 7.050 1.00 0.00 O ATOM 1079 CB PRO A 73 -4.948 -2.979 7.144 1.00 0.00 C ATOM 1080 CG PRO A 73 -3.731 -3.352 7.917 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.650 -3.589 6.898 1.00 0.00 C ATOM 0 HA PRO A 73 -5.017 -2.359 5.025 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.619 -2.357 7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.513 -3.862 6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.449 -2.558 8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.907 -4.246 8.515 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.669 -3.306 7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.590 -4.639 6.613 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.261 0.000 5.428 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.374 1.446 5.578 1.00 0.00 C ATOM 1091 C VAL A 74 -6.690 1.829 6.244 1.00 0.00 C ATOM 1092 O VAL A 74 -7.731 1.902 5.591 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.273 2.160 4.217 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.430 3.663 4.389 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -3.953 1.828 3.537 1.00 0.00 C ATOM 0 H VAL A 74 -5.862 -0.397 4.706 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.545 1.764 6.210 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.083 1.805 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.356 4.150 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.403 3.879 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.644 4.038 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.899 2.341 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.126 2.153 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.886 0.752 3.377 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.637 2.074 7.550 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.825 2.451 8.306 1.00 0.00 C ATOM 1107 C VAL A 75 -8.526 3.645 7.668 1.00 0.00 C ATOM 1108 O VAL A 75 -7.974 4.305 6.789 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.475 2.796 9.766 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.826 1.605 10.455 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.566 4.014 9.822 1.00 0.00 C ATOM 0 H VAL A 75 -5.784 2.018 8.106 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.494 1.591 8.294 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.397 3.034 10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.586 1.867 11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.515 0.760 10.447 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.912 1.333 9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.329 4.244 10.861 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.645 3.806 9.277 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.072 4.866 9.368 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.748 3.917 8.118 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.505 5.032 7.580 1.00 0.00 C ATOM 1123 C GLY A 76 -10.577 5.007 6.066 1.00 0.00 C ATOM 1124 O GLY A 76 -10.111 4.062 5.431 1.00 0.00 O ATOM 0 H GLY A 76 -10.226 3.385 8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.515 5.012 7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.048 5.967 7.904 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.166 6.047 5.486 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.300 6.140 4.036 1.00 0.00 C ATOM 1130 C ASN A 77 -10.073 6.802 3.417 1.00 0.00 C ATOM 1131 O ASN A 77 -10.155 7.410 2.350 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.559 6.928 3.669 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.516 8.356 4.179 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -12.260 8.598 5.359 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -12.768 9.309 3.290 1.00 0.00 N ATOM 0 H ASN A 77 -11.558 6.838 5.997 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.384 5.129 3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.677 6.935 2.585 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.433 6.424 4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.754 10.288 3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.975 9.062 2.322 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.936 6.680 4.096 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.692 7.267 3.613 1.00 0.00 C ATOM 1144 C ARG A 78 -7.402 6.827 2.181 1.00 0.00 C ATOM 1145 O ARG A 78 -7.703 5.696 1.795 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.529 6.872 4.525 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.437 7.925 4.610 1.00 0.00 C ATOM 1148 CD ARG A 78 -5.676 8.885 5.765 1.00 0.00 C ATOM 1149 NE ARG A 78 -4.954 10.142 5.590 1.00 0.00 N ATOM 1150 CZ ARG A 78 -5.375 11.128 4.805 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -6.507 11.002 4.126 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -4.663 12.242 4.698 1.00 0.00 N ATOM 0 H ARG A 78 -8.851 6.180 4.981 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.803 8.351 3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.913 6.678 5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.095 5.940 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.470 7.438 4.735 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.395 8.483 3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.743 9.089 5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.364 8.415 6.698 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.079 10.270 6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.057 10.147 4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.828 11.760 3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.792 12.342 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.987 12.998 4.095 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.817 7.726 1.398 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.486 7.430 0.008 1.00 0.00 C ATOM 1168 C LEU A 79 -4.975 7.378 -0.193 1.00 0.00 C ATOM 1169 O LEU A 79 -4.492 7.184 -1.309 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.100 8.482 -0.917 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.623 8.605 -0.877 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.120 9.463 -2.031 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.271 7.229 -0.916 1.00 0.00 C ATOM 0 H LEU A 79 -6.562 8.666 1.701 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.900 6.452 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.671 9.452 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.801 8.256 -1.940 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.904 9.090 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.206 9.539 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.683 10.459 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.827 9.006 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.355 7.336 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.982 6.717 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.941 6.647 -0.056 1.00 0.00 H new ATOM 1185 N THR A 80 -4.232 7.552 0.896 1.00 0.00 N ATOM 1186 CA THR A 80 -2.776 7.524 0.840 1.00 0.00 C ATOM 1187 C THR A 80 -2.195 6.752 2.019 1.00 0.00 C ATOM 1188 O THR A 80 -2.778 6.724 3.103 1.00 0.00 O ATOM 1189 CB THR A 80 -2.187 8.947 0.832 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.793 8.901 1.157 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.916 9.840 1.825 1.00 0.00 C ATOM 0 H THR A 80 -4.615 7.714 1.827 1.00 0.00 H new ATOM 0 HA THR A 80 -2.505 7.021 -0.088 1.00 0.00 H new ATOM 0 HB THR A 80 -2.313 9.364 -0.167 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.498 9.785 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.483 10.840 1.802 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.971 9.896 1.558 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.817 9.425 2.828 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.043 6.125 1.800 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.382 5.353 2.847 1.00 0.00 C ATOM 1201 C HIS A 81 1.054 5.827 3.046 1.00 0.00 C ATOM 1202 O HIS A 81 1.673 6.365 2.128 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.397 3.865 2.498 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.173 2.971 3.678 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.688 3.234 4.930 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.513 1.809 3.792 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.326 2.275 5.763 1.00 0.00 C ATOM 1208 NE2 HIS A 81 0.403 1.398 5.097 1.00 0.00 N ATOM 0 H HIS A 81 -0.548 6.136 0.908 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.928 5.506 3.778 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.355 3.617 2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.372 3.667 1.752 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.047 1.300 3.003 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.583 2.218 6.811 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.817 0.552 5.489 1.00 0.00 H new ATOM 1217 N GLN A 82 1.577 5.624 4.251 1.00 0.00 N ATOM 1218 CA GLN A 82 2.940 6.033 4.571 1.00 0.00 C ATOM 1219 C GLN A 82 3.750 4.856 5.105 1.00 0.00 C ATOM 1220 O GLN A 82 3.681 4.530 6.290 1.00 0.00 O ATOM 1221 CB GLN A 82 2.928 7.166 5.598 1.00 0.00 C ATOM 1222 CG GLN A 82 2.817 8.549 4.976 1.00 0.00 C ATOM 1223 CD GLN A 82 2.459 9.618 5.990 1.00 0.00 C ATOM 1224 OE1 GLN A 82 2.290 9.333 7.176 1.00 0.00 O ATOM 1225 NE2 GLN A 82 2.342 10.857 5.528 1.00 0.00 N ATOM 0 H GLN A 82 1.078 5.179 5.021 1.00 0.00 H new ATOM 0 HA GLN A 82 3.410 6.389 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.093 7.016 6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.840 7.116 6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.764 8.807 4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.061 8.531 4.191 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.491 11.048 4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.103 11.618 6.164 1.00 0.00 H new ATOM 1234 N ILE A 83 4.515 4.222 4.223 1.00 0.00 N ATOM 1235 CA ILE A 83 5.339 3.082 4.606 1.00 0.00 C ATOM 1236 C ILE A 83 6.758 3.520 4.950 1.00 0.00 C ATOM 1237 O ILE A 83 7.291 4.455 4.353 1.00 0.00 O ATOM 1238 CB ILE A 83 5.396 2.027 3.486 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.987 1.709 2.982 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.084 0.764 3.982 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.967 0.788 1.782 1.00 0.00 C ATOM 0 H ILE A 83 4.581 4.478 3.238 1.00 0.00 H new ATOM 0 HA ILE A 83 4.875 2.639 5.487 1.00 0.00 H new ATOM 0 HB ILE A 83 5.976 2.431 2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.416 1.252 3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.484 2.641 2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.116 0.028 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.100 1.003 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.529 0.355 4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.936 0.606 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.510 1.252 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.441 -0.159 2.042 1.00 0.00 H new ATOM 1253 N GLN A 84 7.366 2.836 5.914 1.00 0.00 N ATOM 1254 CA GLN A 84 8.724 3.154 6.336 1.00 0.00 C ATOM 1255 C GLN A 84 9.543 1.883 6.540 1.00 0.00 C ATOM 1256 O GLN A 84 9.025 0.774 6.412 1.00 0.00 O ATOM 1257 CB GLN A 84 8.701 3.972 7.628 1.00 0.00 C ATOM 1258 CG GLN A 84 7.593 3.566 8.586 1.00 0.00 C ATOM 1259 CD GLN A 84 8.033 2.498 9.568 1.00 0.00 C ATOM 1260 OE1 GLN A 84 8.038 1.308 9.248 1.00 0.00 O ATOM 1261 NE2 GLN A 84 8.406 2.916 10.771 1.00 0.00 N ATOM 0 H GLN A 84 6.939 2.058 6.417 1.00 0.00 H new ATOM 0 HA GLN A 84 9.193 3.744 5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.662 3.867 8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.586 5.027 7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.255 4.444 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.740 3.200 8.015 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.386 3.911 10.994 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.712 2.242 11.473 1.00 0.00 H new ATOM 1270 N GLU A 85 10.822 2.053 6.858 1.00 0.00 N ATOM 1271 CA GLU A 85 11.711 0.919 7.078 1.00 0.00 C ATOM 1272 C GLU A 85 11.771 0.026 5.842 1.00 0.00 C ATOM 1273 O GLU A 85 11.537 -1.181 5.922 1.00 0.00 O ATOM 1274 CB GLU A 85 11.246 0.104 8.287 1.00 0.00 C ATOM 1275 CG GLU A 85 11.344 0.858 9.603 1.00 0.00 C ATOM 1276 CD GLU A 85 12.725 0.771 10.222 1.00 0.00 C ATOM 1277 OE1 GLU A 85 13.070 -0.303 10.757 1.00 0.00 O ATOM 1278 OE2 GLU A 85 13.461 1.779 10.172 1.00 0.00 O ATOM 0 H GLU A 85 11.266 2.965 6.969 1.00 0.00 H new ATOM 0 HA GLU A 85 12.711 1.307 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.212 -0.205 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.844 -0.805 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.089 1.905 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.610 0.458 10.303 1.00 0.00 H new ATOM 1285 N LEU A 86 12.085 0.628 4.700 1.00 0.00 N ATOM 1286 CA LEU A 86 12.176 -0.112 3.445 1.00 0.00 C ATOM 1287 C LEU A 86 13.601 -0.092 2.903 1.00 0.00 C ATOM 1288 O LEU A 86 14.420 0.735 3.306 1.00 0.00 O ATOM 1289 CB LEU A 86 11.216 0.481 2.412 1.00 0.00 C ATOM 1290 CG LEU A 86 9.733 0.170 2.617 1.00 0.00 C ATOM 1291 CD1 LEU A 86 8.878 1.002 1.673 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.466 -1.314 2.415 1.00 0.00 C ATOM 0 H LEU A 86 12.281 1.626 4.617 1.00 0.00 H new ATOM 0 HA LEU A 86 11.897 -1.147 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.342 1.564 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.509 0.122 1.425 1.00 0.00 H new ATOM 0 HG LEU A 86 9.465 0.430 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.826 0.767 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.047 2.061 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.148 0.774 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.406 -1.517 2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.751 -1.600 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.050 -1.890 3.133 1.00 0.00 H new ATOM 1304 N THR A 87 13.892 -1.008 1.984 1.00 0.00 N ATOM 1305 CA THR A 87 15.218 -1.096 1.386 1.00 0.00 C ATOM 1306 C THR A 87 15.383 -0.076 0.264 1.00 0.00 C ATOM 1307 O THR A 87 14.407 0.331 -0.367 1.00 0.00 O ATOM 1308 CB THR A 87 15.490 -2.505 0.827 1.00 0.00 C ATOM 1309 OG1 THR A 87 14.833 -3.487 1.635 1.00 0.00 O ATOM 1310 CG2 THR A 87 16.983 -2.792 0.786 1.00 0.00 C ATOM 0 H THR A 87 13.227 -1.699 1.638 1.00 0.00 H new ATOM 0 HA THR A 87 15.937 -0.882 2.177 1.00 0.00 H new ATOM 0 HB THR A 87 15.099 -2.550 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.177 -3.972 1.092 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.150 -3.793 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.477 -2.060 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.393 -2.729 1.794 1.00 0.00 H new ATOM 1318 N LEU A 88 16.624 0.332 0.020 1.00 0.00 N ATOM 1319 CA LEU A 88 16.917 1.304 -1.027 1.00 0.00 C ATOM 1320 C LEU A 88 17.567 0.629 -2.230 1.00 0.00 C ATOM 1321 O LEU A 88 17.928 -0.547 -2.175 1.00 0.00 O ATOM 1322 CB LEU A 88 17.834 2.403 -0.487 1.00 0.00 C ATOM 1323 CG LEU A 88 17.494 2.939 0.904 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.686 3.669 1.501 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.281 3.856 0.840 1.00 0.00 C ATOM 0 H LEU A 88 17.443 0.005 0.533 1.00 0.00 H new ATOM 0 HA LEU A 88 15.976 1.750 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.854 2.020 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 88 17.820 3.237 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 88 17.252 2.094 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.425 4.043 2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.529 2.983 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.960 4.505 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.053 4.228 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.495 4.696 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.425 3.301 0.456 1.00 0.00 H new ATOM 1337 N ASP A 89 17.715 1.381 -3.315 1.00 0.00 N ATOM 1338 CA ASP A 89 18.325 0.856 -4.532 1.00 0.00 C ATOM 1339 C ASP A 89 17.766 -0.523 -4.869 1.00 0.00 C ATOM 1340 O ASP A 89 18.505 -1.425 -5.264 1.00 0.00 O ATOM 1341 CB ASP A 89 19.844 0.779 -4.374 1.00 0.00 C ATOM 1342 CG ASP A 89 20.551 0.515 -5.689 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.591 1.433 -6.536 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.064 -0.608 -5.871 1.00 0.00 O ATOM 0 H ASP A 89 17.421 2.356 -3.377 1.00 0.00 H new ATOM 0 HA ASP A 89 18.086 1.535 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.210 1.714 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.093 -0.011 -3.666 1.00 0.00 H new ATOM 1349 N THR A 90 16.455 -0.679 -4.710 1.00 0.00 N ATOM 1350 CA THR A 90 15.797 -1.948 -4.995 1.00 0.00 C ATOM 1351 C THR A 90 14.378 -1.728 -5.509 1.00 0.00 C ATOM 1352 O THR A 90 13.592 -0.979 -4.929 1.00 0.00 O ATOM 1353 CB THR A 90 15.744 -2.847 -3.746 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.062 -3.292 -3.407 1.00 0.00 O ATOM 1355 CG2 THR A 90 14.842 -4.049 -3.981 1.00 0.00 C ATOM 0 H THR A 90 15.829 0.058 -4.385 1.00 0.00 H new ATOM 0 HA THR A 90 16.388 -2.444 -5.765 1.00 0.00 H new ATOM 0 HB THR A 90 15.335 -2.262 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.561 -2.555 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.821 -4.669 -3.085 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.833 -3.707 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.225 -4.634 -4.817 1.00 0.00 H new ATOM 1363 N PRO A 91 14.041 -2.395 -6.622 1.00 0.00 N ATOM 1364 CA PRO A 91 12.715 -2.290 -7.238 1.00 0.00 C ATOM 1365 C PRO A 91 11.630 -2.952 -6.395 1.00 0.00 C ATOM 1366 O PRO A 91 11.589 -4.176 -6.268 1.00 0.00 O ATOM 1367 CB PRO A 91 12.882 -3.027 -8.569 1.00 0.00 C ATOM 1368 CG PRO A 91 14.000 -3.983 -8.335 1.00 0.00 C ATOM 1369 CD PRO A 91 14.929 -3.306 -7.366 1.00 0.00 C ATOM 0 HA PRO A 91 12.397 -1.253 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.967 -3.549 -8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.116 -2.335 -9.378 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.630 -4.924 -7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.513 -4.219 -9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.413 -4.025 -6.705 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.721 -2.763 -7.881 1.00 0.00 H new ATOM 1377 N TYR A 92 10.753 -2.135 -5.821 1.00 0.00 N ATOM 1378 CA TYR A 92 9.669 -2.642 -4.988 1.00 0.00 C ATOM 1379 C TYR A 92 8.334 -2.559 -5.722 1.00 0.00 C ATOM 1380 O TYR A 92 8.062 -1.591 -6.432 1.00 0.00 O ATOM 1381 CB TYR A 92 9.593 -1.856 -3.679 1.00 0.00 C ATOM 1382 CG TYR A 92 10.415 -2.459 -2.562 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.803 -2.393 -2.580 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.803 -3.094 -1.488 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.557 -2.943 -1.562 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.550 -3.646 -0.465 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.926 -3.568 -0.507 1.00 0.00 C ATOM 1388 OH TYR A 92 12.674 -4.117 0.510 1.00 0.00 O ATOM 0 H TYR A 92 10.772 -1.120 -5.917 1.00 0.00 H new ATOM 0 HA TYR A 92 9.876 -3.688 -4.764 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.931 -0.835 -3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.552 -1.796 -3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.301 -1.903 -3.404 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.725 -3.157 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.635 -2.884 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.059 -4.136 0.363 1.00 0.00 H new ATOM 0 HH TYR A 92 12.077 -4.518 1.176 1.00 0.00 H new ATOM 1398 N TYR A 93 7.505 -3.581 -5.545 1.00 0.00 N ATOM 1399 CA TYR A 93 6.198 -3.626 -6.191 1.00 0.00 C ATOM 1400 C TYR A 93 5.085 -3.330 -5.191 1.00 0.00 C ATOM 1401 O TYR A 93 5.130 -3.777 -4.044 1.00 0.00 O ATOM 1402 CB TYR A 93 5.971 -4.996 -6.833 1.00 0.00 C ATOM 1403 CG TYR A 93 7.126 -5.463 -7.689 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.203 -6.138 -7.129 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.139 -5.230 -9.059 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.261 -6.566 -7.908 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.192 -5.655 -9.846 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.251 -6.322 -9.265 1.00 0.00 C ATOM 1409 OH TYR A 93 10.302 -6.748 -10.045 1.00 0.00 O ATOM 0 H TYR A 93 7.714 -4.390 -4.960 1.00 0.00 H new ATOM 0 HA TYR A 93 6.177 -2.860 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.792 -5.730 -6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.070 -4.956 -7.444 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.214 -6.332 -6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.312 -4.708 -9.516 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.091 -7.089 -7.456 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.186 -5.466 -10.909 1.00 0.00 H new ATOM 0 HH TYR A 93 10.139 -6.498 -10.978 1.00 0.00 H new ATOM 1419 N PHE A 94 4.087 -2.573 -5.633 1.00 0.00 N ATOM 1420 CA PHE A 94 2.961 -2.215 -4.778 1.00 0.00 C ATOM 1421 C PHE A 94 1.635 -2.540 -5.460 1.00 0.00 C ATOM 1422 O PHE A 94 1.524 -2.483 -6.685 1.00 0.00 O ATOM 1423 CB PHE A 94 3.015 -0.728 -4.424 1.00 0.00 C ATOM 1424 CG PHE A 94 4.282 -0.323 -3.726 1.00 0.00 C ATOM 1425 CD1 PHE A 94 4.382 -0.396 -2.346 1.00 0.00 C ATOM 1426 CD2 PHE A 94 5.373 0.130 -4.451 1.00 0.00 C ATOM 1427 CE1 PHE A 94 5.547 -0.023 -1.702 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.540 0.504 -3.812 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.628 0.426 -2.436 1.00 0.00 C ATOM 0 H PHE A 94 4.035 -2.195 -6.579 1.00 0.00 H new ATOM 0 HA PHE A 94 3.031 -2.802 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 94 2.909 -0.141 -5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.165 -0.483 -3.787 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.541 -0.748 -1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.310 0.191 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.612 -0.083 -0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.382 0.857 -4.388 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.540 0.715 -1.935 1.00 0.00 H new ATOM 1439 N LYS A 95 0.632 -2.881 -4.658 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.687 -3.214 -5.182 1.00 0.00 C ATOM 1441 C LYS A 95 -1.786 -2.644 -4.291 1.00 0.00 C ATOM 1442 O LYS A 95 -1.790 -2.860 -3.079 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.845 -4.732 -5.296 1.00 0.00 C ATOM 1444 CG LYS A 95 0.008 -5.351 -6.390 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.160 -6.861 -6.440 1.00 0.00 C ATOM 1446 CE LYS A 95 0.609 -7.468 -7.603 1.00 0.00 C ATOM 1447 NZ LYS A 95 -0.086 -7.251 -8.902 1.00 0.00 N ATOM 0 H LYS A 95 0.708 -2.934 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.779 -2.770 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.585 -5.189 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.892 -4.967 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.266 -4.921 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.056 -5.106 -6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.188 -7.298 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.218 -7.108 -6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.606 -7.030 -7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.738 -8.537 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.571 -7.445 -9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.903 -7.891 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.412 -6.265 -8.961 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.717 -1.916 -4.899 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.822 -1.318 -4.160 1.00 0.00 C ATOM 1463 C ILE A 96 -5.141 -2.010 -4.488 1.00 0.00 C ATOM 1464 O ILE A 96 -5.304 -2.574 -5.570 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.954 0.186 -4.466 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.707 0.936 -3.993 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -5.202 0.752 -3.805 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.704 2.401 -4.371 1.00 0.00 C ATOM 0 H ILE A 96 -2.728 -1.726 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.601 -1.447 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.046 0.317 -5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.629 0.848 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.823 0.458 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.282 1.816 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.082 0.233 -4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.137 0.613 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.791 2.870 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.750 2.497 -5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.569 2.893 -3.926 1.00 0.00 H new ATOM 1480 N GLN A 97 -6.078 -1.961 -3.547 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.383 -2.583 -3.737 1.00 0.00 C ATOM 1482 C GLN A 97 -8.432 -1.930 -2.842 1.00 0.00 C ATOM 1483 O GLN A 97 -8.165 -1.619 -1.682 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.306 -4.082 -3.442 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.662 -4.767 -3.412 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.686 -5.974 -2.496 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.522 -5.850 -1.282 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.891 -7.152 -3.073 1.00 0.00 N ATOM 0 H GLN A 97 -5.958 -1.498 -2.646 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.678 -2.440 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.683 -4.561 -4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.812 -4.230 -2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.418 -4.053 -3.086 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.931 -5.077 -4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.022 -7.209 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.917 -8.000 -2.506 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.625 -1.725 -3.390 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.715 -1.111 -2.641 1.00 0.00 C ATOM 1499 C ALA A 98 -11.694 -2.165 -2.134 1.00 0.00 C ATOM 1500 O ALA A 98 -12.191 -2.986 -2.904 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.437 -0.088 -3.504 1.00 0.00 C ATOM 0 H ALA A 98 -9.862 -1.975 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.289 -0.603 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.248 0.363 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.736 0.688 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.845 -0.580 -4.387 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.967 -2.135 -0.834 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.886 -3.088 -0.224 1.00 0.00 C ATOM 1509 C ARG A 99 -13.868 -2.380 0.705 1.00 0.00 C ATOM 1510 O ARG A 99 -13.572 -1.311 1.238 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.109 -4.152 0.554 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.311 -3.592 1.721 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.106 -4.636 2.807 1.00 0.00 C ATOM 1514 NE ARG A 99 -10.356 -4.105 3.942 1.00 0.00 N ATOM 1515 CZ ARG A 99 -10.282 -4.710 5.122 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -10.910 -5.860 5.322 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -9.579 -4.164 6.106 1.00 0.00 N ATOM 0 H ARG A 99 -11.565 -1.461 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.451 -3.570 -1.022 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.809 -4.899 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.430 -4.664 -0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.343 -3.240 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.830 -2.729 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.075 -4.997 3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.576 -5.493 2.391 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.862 -3.221 3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.452 -6.283 4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.851 -6.322 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.095 -3.279 5.957 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.523 -4.629 7.012 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.037 -2.983 0.893 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.063 -2.409 1.756 1.00 0.00 C ATOM 1533 C ASN A 100 -16.444 -3.382 2.868 1.00 0.00 C ATOM 1534 O ASN A 100 -15.873 -4.466 2.982 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.302 -2.042 0.937 1.00 0.00 C ATOM 1536 CG ASN A 100 -16.947 -1.456 -0.416 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -15.779 -1.200 -0.708 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -17.958 -1.241 -1.251 1.00 0.00 N ATOM 0 H ASN A 100 -15.298 -3.869 0.460 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.657 -1.506 2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -17.917 -2.931 0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.903 -1.324 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.781 -0.849 -2.176 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.911 -1.468 -0.967 1.00 0.00 H new ATOM 1545 N SER A 101 -17.415 -2.986 3.686 1.00 0.00 N ATOM 1546 CA SER A 101 -17.871 -3.821 4.791 1.00 0.00 C ATOM 1547 C SER A 101 -18.135 -5.248 4.321 1.00 0.00 C ATOM 1548 O SER A 101 -17.873 -6.211 5.042 1.00 0.00 O ATOM 1549 CB SER A 101 -19.140 -3.233 5.411 1.00 0.00 C ATOM 1550 OG SER A 101 -18.899 -1.939 5.937 1.00 0.00 O ATOM 0 H SER A 101 -17.900 -2.093 3.604 1.00 0.00 H new ATOM 0 HA SER A 101 -17.084 -3.846 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.926 -3.182 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.499 -3.890 6.203 1.00 0.00 H new ATOM 0 HG SER A 101 -19.726 -1.585 6.326 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.655 -5.377 3.105 1.00 0.00 N ATOM 1557 CA LYS A 102 -18.954 -6.685 2.535 1.00 0.00 C ATOM 1558 C LYS A 102 -17.672 -7.453 2.233 1.00 0.00 C ATOM 1559 O LYS A 102 -17.337 -8.416 2.922 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.782 -6.530 1.257 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.266 -6.335 1.513 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.531 -5.081 2.330 1.00 0.00 C ATOM 1563 CE LYS A 102 -21.594 -5.388 3.818 1.00 0.00 C ATOM 1564 NZ LYS A 102 -22.723 -6.301 4.148 1.00 0.00 N ATOM 0 H LYS A 102 -18.878 -4.591 2.495 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.530 -7.250 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.405 -5.678 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.642 -7.414 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.795 -6.269 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.663 -7.204 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.745 -4.350 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -22.470 -4.629 2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.655 -5.842 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.703 -4.458 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.037 -6.126 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -23.513 -6.127 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.409 -7.288 4.057 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.957 -7.020 1.199 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.718 -7.677 0.826 1.00 0.00 C ATOM 1580 C GLY A 103 -14.811 -6.782 0.006 1.00 0.00 C ATOM 1581 O GLY A 103 -15.046 -5.579 -0.100 1.00 0.00 O ATOM 0 H GLY A 103 -17.214 -6.226 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.193 -7.993 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.945 -8.578 0.256 1.00 0.00 H new ATOM 1585 N MET A 104 -13.769 -7.370 -0.574 1.00 0.00 N ATOM 1586 CA MET A 104 -12.822 -6.616 -1.387 1.00 0.00 C ATOM 1587 C MET A 104 -13.060 -6.869 -2.873 1.00 0.00 C ATOM 1588 O MET A 104 -13.836 -7.748 -3.246 1.00 0.00 O ATOM 1589 CB MET A 104 -11.386 -6.993 -1.018 1.00 0.00 C ATOM 1590 CG MET A 104 -11.213 -7.362 0.447 1.00 0.00 C ATOM 1591 SD MET A 104 -11.592 -9.094 0.775 1.00 0.00 S ATOM 1592 CE MET A 104 -9.945 -9.772 0.961 1.00 0.00 C ATOM 0 H MET A 104 -13.560 -8.365 -0.496 1.00 0.00 H new ATOM 0 HA MET A 104 -12.974 -5.555 -1.187 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.069 -7.833 -1.636 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.727 -6.157 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.187 -7.154 0.751 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.860 -6.731 1.056 1.00 0.00 H new ATOM 0 HE1 MET A 104 -10.012 -10.840 1.169 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.381 -9.616 0.041 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.437 -9.273 1.787 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.387 -6.092 -3.716 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.540 -6.248 -5.151 1.00 0.00 C ATOM 1604 C GLY A 105 -11.277 -6.759 -5.817 1.00 0.00 C ATOM 1605 O GLY A 105 -10.429 -7.391 -5.186 1.00 0.00 O ATOM 0 H GLY A 105 -11.739 -5.358 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.359 -6.939 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.816 -5.289 -5.590 1.00 0.00 H new ATOM 1609 N PRO A 106 -11.140 -6.485 -7.123 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.975 -6.913 -7.903 1.00 0.00 C ATOM 1611 C PRO A 106 -8.707 -6.161 -7.511 1.00 0.00 C ATOM 1612 O PRO A 106 -8.765 -5.008 -7.084 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.371 -6.580 -9.343 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.365 -5.477 -9.218 1.00 0.00 C ATOM 1615 CD PRO A 106 -12.111 -5.736 -7.938 1.00 0.00 C ATOM 0 HA PRO A 106 -9.742 -7.966 -7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.506 -6.269 -9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.802 -7.446 -9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.870 -4.506 -9.192 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -12.044 -5.465 -10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.411 -4.807 -7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -13.019 -6.313 -8.112 1.00 0.00 H new ATOM 1623 N MET A 107 -7.563 -6.820 -7.661 1.00 0.00 N ATOM 1624 CA MET A 107 -6.281 -6.212 -7.325 1.00 0.00 C ATOM 1625 C MET A 107 -5.655 -5.552 -8.549 1.00 0.00 C ATOM 1626 O MET A 107 -5.709 -6.093 -9.653 1.00 0.00 O ATOM 1627 CB MET A 107 -5.328 -7.264 -6.754 1.00 0.00 C ATOM 1628 CG MET A 107 -5.881 -7.990 -5.538 1.00 0.00 C ATOM 1629 SD MET A 107 -4.905 -9.438 -5.089 1.00 0.00 S ATOM 1630 CE MET A 107 -5.424 -9.684 -3.393 1.00 0.00 C ATOM 0 H MET A 107 -7.497 -7.775 -8.013 1.00 0.00 H new ATOM 0 HA MET A 107 -6.457 -5.445 -6.571 1.00 0.00 H new ATOM 0 HB2 MET A 107 -5.099 -7.994 -7.530 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.389 -6.782 -6.483 1.00 0.00 H new ATOM 0 HG2 MET A 107 -5.913 -7.302 -4.693 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.908 -8.297 -5.739 1.00 0.00 H new ATOM 0 HE1 MET A 107 -5.420 -10.749 -3.162 1.00 0.00 H new ATOM 0 HE2 MET A 107 -4.738 -9.165 -2.724 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.430 -9.287 -3.259 1.00 0.00 H new ATOM 1640 N SER A 108 -5.061 -4.381 -8.345 1.00 0.00 N ATOM 1641 CA SER A 108 -4.427 -3.645 -9.433 1.00 0.00 C ATOM 1642 C SER A 108 -3.081 -4.264 -9.796 1.00 0.00 C ATOM 1643 O SER A 108 -2.543 -5.084 -9.053 1.00 0.00 O ATOM 1644 CB SER A 108 -4.239 -2.178 -9.044 1.00 0.00 C ATOM 1645 OG SER A 108 -3.514 -2.061 -7.831 1.00 0.00 O ATOM 0 H SER A 108 -5.005 -3.921 -7.436 1.00 0.00 H new ATOM 0 HA SER A 108 -5.079 -3.701 -10.304 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.711 -1.652 -9.839 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.212 -1.699 -8.937 1.00 0.00 H new ATOM 0 HG SER A 108 -4.123 -2.184 -7.073 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.542 -3.864 -10.943 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.259 -4.379 -11.405 1.00 0.00 C ATOM 1653 C GLU A 109 -0.139 -3.992 -10.444 1.00 0.00 C ATOM 1654 O GLU A 109 -0.262 -3.030 -9.686 1.00 0.00 O ATOM 1655 CB GLU A 109 -0.947 -3.852 -12.807 1.00 0.00 C ATOM 1656 CG GLU A 109 -0.516 -2.395 -12.828 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.686 -1.443 -12.979 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -2.693 -1.836 -13.604 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.595 -0.305 -12.473 1.00 0.00 O ATOM 0 H GLU A 109 -2.974 -3.185 -11.569 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.325 -5.466 -11.440 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.158 -4.462 -13.248 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.830 -3.970 -13.435 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.018 -2.165 -11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.183 -2.239 -13.649 1.00 0.00 H new ATOM 1666 N ALA A 110 0.952 -4.749 -10.480 1.00 0.00 N ATOM 1667 CA ALA A 110 2.095 -4.485 -9.614 1.00 0.00 C ATOM 1668 C ALA A 110 2.830 -3.221 -10.045 1.00 0.00 C ATOM 1669 O ALA A 110 3.445 -3.181 -11.111 1.00 0.00 O ATOM 1670 CB ALA A 110 3.043 -5.675 -9.614 1.00 0.00 C ATOM 0 H ALA A 110 1.069 -5.551 -11.100 1.00 0.00 H new ATOM 0 HA ALA A 110 1.724 -4.330 -8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.892 -5.464 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.518 -6.558 -9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.399 -5.856 -10.628 1.00 0.00 H new ATOM 1676 N VAL A 111 2.762 -2.188 -9.210 1.00 0.00 N ATOM 1677 CA VAL A 111 3.422 -0.922 -9.505 1.00 0.00 C ATOM 1678 C VAL A 111 4.887 -0.954 -9.084 1.00 0.00 C ATOM 1679 O VAL A 111 5.205 -0.831 -7.901 1.00 0.00 O ATOM 1680 CB VAL A 111 2.722 0.254 -8.799 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.549 1.524 -8.928 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.324 0.458 -9.364 1.00 0.00 C ATOM 0 H VAL A 111 2.256 -2.204 -8.324 1.00 0.00 H new ATOM 0 HA VAL A 111 3.360 -0.777 -10.584 1.00 0.00 H new ATOM 0 HB VAL A 111 2.630 0.016 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.038 2.344 -8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.527 1.370 -8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.676 1.770 -9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.844 1.293 -8.854 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.390 0.674 -10.430 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.735 -0.447 -9.213 1.00 0.00 H new ATOM 1692 N GLN A 112 5.774 -1.121 -10.059 1.00 0.00 N ATOM 1693 CA GLN A 112 7.206 -1.169 -9.788 1.00 0.00 C ATOM 1694 C GLN A 112 7.759 0.229 -9.533 1.00 0.00 C ATOM 1695 O GLN A 112 7.805 1.065 -10.436 1.00 0.00 O ATOM 1696 CB GLN A 112 7.946 -1.817 -10.960 1.00 0.00 C ATOM 1697 CG GLN A 112 9.403 -2.132 -10.659 1.00 0.00 C ATOM 1698 CD GLN A 112 10.218 -2.376 -11.914 1.00 0.00 C ATOM 1699 OE1 GLN A 112 10.382 -1.482 -12.745 1.00 0.00 O ATOM 1700 NE2 GLN A 112 10.734 -3.591 -12.058 1.00 0.00 N ATOM 0 H GLN A 112 5.527 -1.225 -11.043 1.00 0.00 H new ATOM 0 HA GLN A 112 7.361 -1.770 -8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.434 -2.738 -11.238 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.897 -1.152 -11.822 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.842 -1.305 -10.100 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.456 -3.013 -10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 112 10.573 -4.301 -11.344 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.292 -3.814 -12.882 1.00 0.00 H new ATOM 1709 N PHE A 113 8.179 0.477 -8.297 1.00 0.00 N ATOM 1710 CA PHE A 113 8.729 1.775 -7.922 1.00 0.00 C ATOM 1711 C PHE A 113 10.096 1.617 -7.263 1.00 0.00 C ATOM 1712 O PHE A 113 10.222 0.990 -6.211 1.00 0.00 O ATOM 1713 CB PHE A 113 7.774 2.501 -6.972 1.00 0.00 C ATOM 1714 CG PHE A 113 8.422 3.624 -6.213 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.167 3.368 -5.073 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.287 4.935 -6.640 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.765 4.399 -4.373 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.883 5.970 -5.944 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.622 5.701 -4.809 1.00 0.00 C ATOM 0 H PHE A 113 8.149 -0.204 -7.538 1.00 0.00 H new ATOM 0 HA PHE A 113 8.849 2.367 -8.829 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.935 2.897 -7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.364 1.782 -6.262 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.282 2.351 -4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.710 5.151 -7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.343 4.186 -3.486 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.771 6.988 -6.288 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.088 6.508 -4.263 1.00 0.00 H new ATOM 1729 N ARG A 114 11.118 2.188 -7.892 1.00 0.00 N ATOM 1730 CA ARG A 114 12.477 2.110 -7.369 1.00 0.00 C ATOM 1731 C ARG A 114 12.635 2.988 -6.131 1.00 0.00 C ATOM 1732 O ARG A 114 12.213 4.145 -6.119 1.00 0.00 O ATOM 1733 CB ARG A 114 13.484 2.534 -8.440 1.00 0.00 C ATOM 1734 CG ARG A 114 14.933 2.379 -8.009 1.00 0.00 C ATOM 1735 CD ARG A 114 15.865 2.298 -9.208 1.00 0.00 C ATOM 1736 NE ARG A 114 16.189 3.619 -9.740 1.00 0.00 N ATOM 1737 CZ ARG A 114 17.007 3.817 -10.768 1.00 0.00 C ATOM 1738 NH1 ARG A 114 17.581 2.785 -11.371 1.00 0.00 N ATOM 1739 NH2 ARG A 114 17.252 5.049 -11.195 1.00 0.00 N ATOM 0 H ARG A 114 11.031 2.710 -8.764 1.00 0.00 H new ATOM 0 HA ARG A 114 12.671 1.075 -7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.316 1.942 -9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.302 3.575 -8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.219 3.222 -7.381 1.00 0.00 H new ATOM 0 HG3 ARG A 114 15.039 1.479 -7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 114 16.784 1.788 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.399 1.697 -9.989 1.00 0.00 H new ATOM 0 HE ARG A 114 15.764 4.434 -9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 114 17.395 1.836 -11.046 1.00 0.00 H new ATOM 0 HH12 ARG A 114 18.209 2.940 -12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 114 16.812 5.845 -10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 114 17.880 5.200 -11.984 1.00 0.00 H new ATOM 1753 N THR A 115 13.245 2.431 -5.090 1.00 0.00 N ATOM 1754 CA THR A 115 13.457 3.162 -3.847 1.00 0.00 C ATOM 1755 C THR A 115 14.545 4.217 -4.009 1.00 0.00 C ATOM 1756 O THR A 115 15.474 4.069 -4.803 1.00 0.00 O ATOM 1757 CB THR A 115 13.845 2.213 -2.697 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.690 1.167 -3.188 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.607 1.611 -2.051 1.00 0.00 C ATOM 0 H THR A 115 13.601 1.475 -5.083 1.00 0.00 H new ATOM 0 HA THR A 115 12.514 3.651 -3.602 1.00 0.00 H new ATOM 0 HB THR A 115 14.383 2.791 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.345 0.300 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.906 0.945 -1.242 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.981 2.409 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.045 1.048 -2.796 1.00 0.00 H new ATOM 1767 N PRO A 116 14.430 5.309 -3.238 1.00 0.00 N ATOM 1768 CA PRO A 116 15.396 6.411 -3.278 1.00 0.00 C ATOM 1769 C PRO A 116 16.747 6.018 -2.690 1.00 0.00 C ATOM 1770 O PRO A 116 17.045 4.835 -2.525 1.00 0.00 O ATOM 1771 CB PRO A 116 14.735 7.494 -2.421 1.00 0.00 C ATOM 1772 CG PRO A 116 13.834 6.749 -1.498 1.00 0.00 C ATOM 1773 CD PRO A 116 13.349 5.552 -2.269 1.00 0.00 C ATOM 0 HA PRO A 116 15.611 6.728 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.478 8.071 -1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.176 8.199 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.365 6.443 -0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 116 12.999 7.373 -1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.192 4.692 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.400 5.752 -2.767 1.00 0.00 H new ATOM 1781 N LYS A 117 17.563 7.019 -2.374 1.00 0.00 N ATOM 1782 CA LYS A 117 18.883 6.779 -1.802 1.00 0.00 C ATOM 1783 C LYS A 117 19.213 7.821 -0.739 1.00 0.00 C ATOM 1784 O LYS A 117 18.684 8.932 -0.761 1.00 0.00 O ATOM 1785 CB LYS A 117 19.949 6.800 -2.900 1.00 0.00 C ATOM 1786 CG LYS A 117 19.863 5.620 -3.853 1.00 0.00 C ATOM 1787 CD LYS A 117 20.805 4.501 -3.442 1.00 0.00 C ATOM 1788 CE LYS A 117 20.233 3.686 -2.293 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.068 2.491 -1.990 1.00 0.00 N ATOM 0 H LYS A 117 17.333 8.004 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 117 18.874 5.796 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.854 7.724 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.936 6.811 -2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.840 5.245 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.106 5.949 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.991 3.849 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.766 4.923 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.160 4.313 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.221 3.368 -2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.454 1.662 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.724 2.317 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 21.610 2.658 -1.118 1.00 0.00 H new ATOM 1803 N ALA A 118 20.091 7.456 0.190 1.00 0.00 N ATOM 1804 CA ALA A 118 20.493 8.361 1.259 1.00 0.00 C ATOM 1805 C ALA A 118 21.595 9.307 0.792 1.00 0.00 C ATOM 1806 O ALA A 118 22.593 8.876 0.215 1.00 0.00 O ATOM 1807 CB ALA A 118 20.954 7.571 2.474 1.00 0.00 C ATOM 0 H ALA A 118 20.537 6.539 0.223 1.00 0.00 H new ATOM 0 HA ALA A 118 19.627 8.962 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.251 8.260 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.138 6.941 2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.803 6.945 2.200 1.00 0.00 H new