USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= -2.76 K(o=-5.5,f=-9.4!) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -2.48 K(o=-5.5,f=-12!) USER MOD Set 1.3: A 92 LYS NZ :NH3+ -166:sc= -0.254 (180deg=0) USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0.0711 USER MOD Set 2.2: A 86 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 16 THR OG1 : rot 47:sc= 0.374 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 149:sc= 0 (180deg=-0.00593) USER MOD Single : A 32 SER OG : rot -151:sc= -2.15 USER MOD Single : A 33 SER OG : rot -11:sc= 0.908 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot -92:sc= 1.29 USER MOD Single : A 44 MET CE :methyl 180:sc= -0.19 (180deg=-0.19) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 46 ASN : amide:sc= 0.621 K(o=0.62,f=-0.41) USER MOD Single : A 51 ASN : amide:sc= -0.295 K(o=-0.3,f=-3.9!) USER MOD Single : A 54 THR OG1 : rot 68:sc= -0.268 USER MOD Single : A 58 LYS NZ :NH3+ -122:sc= 0.787 (180deg=-3.57!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc=-0.00432 X(o=-0.0043,f=-0.0043) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 157:sc= -1.95 (180deg=-2.08) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.935 -2.227 -5.039 1.00 0.00 N ATOM 191 CA THR A 16 -10.807 -1.195 -4.492 1.00 0.00 C ATOM 192 C THR A 16 -11.642 -1.734 -3.337 1.00 0.00 C ATOM 193 O THR A 16 -12.659 -2.395 -3.549 1.00 0.00 O ATOM 194 CB THR A 16 -11.749 -0.627 -5.570 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.397 -1.696 -6.267 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.981 0.238 -6.559 1.00 0.00 C ATOM 0 HA THR A 16 -10.161 -0.397 -4.127 1.00 0.00 H new ATOM 0 HB THR A 16 -12.499 -0.009 -5.076 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.737 -2.349 -5.621 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.667 0.628 -7.311 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.513 1.068 -6.030 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.212 -0.362 -7.046 1.00 0.00 H new ATOM 204 N ILE A 17 -11.206 -1.449 -2.114 1.00 0.00 N ATOM 205 CA ILE A 17 -11.915 -1.905 -0.925 1.00 0.00 C ATOM 206 C ILE A 17 -12.094 -0.770 0.077 1.00 0.00 C ATOM 207 O ILE A 17 -11.120 -0.156 0.515 1.00 0.00 O ATOM 208 CB ILE A 17 -11.175 -3.069 -0.240 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.036 -4.250 -1.202 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.909 -3.492 1.024 1.00 0.00 C ATOM 211 CD1 ILE A 17 -9.893 -5.179 -0.856 1.00 0.00 C ATOM 0 H ILE A 17 -10.365 -0.905 -1.921 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.894 -2.252 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.176 -2.732 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.967 -4.817 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.891 -3.870 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.374 -4.316 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.961 -2.649 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.918 -3.814 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.854 -5.993 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.954 -4.626 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.046 -5.588 0.143 1.00 0.00 H new ATOM 223 N ILE A 18 -13.343 -0.498 0.438 1.00 0.00 N ATOM 224 CA ILE A 18 -13.649 0.561 1.392 1.00 0.00 C ATOM 225 C ILE A 18 -13.770 0.008 2.808 1.00 0.00 C ATOM 226 O ILE A 18 -14.495 -0.958 3.049 1.00 0.00 O ATOM 227 CB ILE A 18 -14.955 1.291 1.024 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.897 1.787 -0.422 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.201 2.449 1.979 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.819 2.820 -0.664 1.00 0.00 C ATOM 0 H ILE A 18 -14.160 -0.996 0.084 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.822 1.270 1.351 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.785 0.590 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.729 0.937 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.864 2.213 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.127 2.955 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.281 2.070 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.371 3.153 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.836 3.126 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.998 3.688 -0.029 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.845 2.392 -0.427 1.00 0.00 H new ATOM 242 N LEU A 19 -13.057 0.627 3.742 1.00 0.00 N ATOM 243 CA LEU A 19 -13.085 0.199 5.136 1.00 0.00 C ATOM 244 C LEU A 19 -14.140 0.970 5.921 1.00 0.00 C ATOM 245 O LEU A 19 -14.270 2.189 5.803 1.00 0.00 O ATOM 246 CB LEU A 19 -11.711 0.394 5.778 1.00 0.00 C ATOM 247 CG LEU A 19 -11.357 -0.568 6.913 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.277 -1.996 6.397 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.046 -0.161 7.569 1.00 0.00 C ATOM 0 H LEU A 19 -12.452 1.428 3.559 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.343 -0.860 5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.953 0.301 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.652 1.413 6.161 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.146 -0.519 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.024 -2.666 7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.240 -2.285 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.509 -2.062 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.811 -0.857 8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.247 -0.180 6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.140 0.846 7.976 1.00 0.00 H new ATOM 261 N PRO A 20 -14.913 0.246 6.745 1.00 0.00 N ATOM 262 CA PRO A 20 -15.968 0.843 7.569 1.00 0.00 C ATOM 263 C PRO A 20 -15.408 1.705 8.694 1.00 0.00 C ATOM 264 O PRO A 20 -14.196 1.893 8.799 1.00 0.00 O ATOM 265 CB PRO A 20 -16.701 -0.373 8.141 1.00 0.00 C ATOM 266 CG PRO A 20 -15.687 -1.465 8.134 1.00 0.00 C ATOM 267 CD PRO A 20 -14.814 -1.211 6.936 1.00 0.00 C ATOM 0 HA PRO A 20 -16.607 1.511 6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.065 -0.177 9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.568 -0.634 7.534 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.100 -1.459 9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.166 -2.442 8.068 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.785 -1.524 7.115 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.165 -1.756 6.060 1.00 0.00 H new ATOM 275 N GLU A 21 -16.298 2.227 9.533 1.00 0.00 N ATOM 276 CA GLU A 21 -15.890 3.071 10.650 1.00 0.00 C ATOM 277 C GLU A 21 -15.741 2.248 11.927 1.00 0.00 C ATOM 278 O GLU A 21 -15.802 2.784 13.034 1.00 0.00 O ATOM 279 CB GLU A 21 -16.907 4.193 10.869 1.00 0.00 C ATOM 280 CG GLU A 21 -18.308 3.692 11.180 1.00 0.00 C ATOM 281 CD GLU A 21 -19.229 4.798 11.657 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.726 5.564 10.804 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.454 4.897 12.881 1.00 0.00 O ATOM 0 H GLU A 21 -17.305 2.080 9.460 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.923 3.510 10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.566 4.826 11.688 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.943 4.818 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.732 3.231 10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.252 2.916 11.944 1.00 0.00 H new ATOM 290 N ASP A 22 -15.547 0.944 11.764 1.00 0.00 N ATOM 291 CA ASP A 22 -15.389 0.046 12.902 1.00 0.00 C ATOM 292 C ASP A 22 -13.954 -0.462 12.999 1.00 0.00 C ATOM 293 O ASP A 22 -13.565 -1.065 13.999 1.00 0.00 O ATOM 294 CB ASP A 22 -16.355 -1.134 12.786 1.00 0.00 C ATOM 295 CG ASP A 22 -16.564 -1.843 14.110 1.00 0.00 C ATOM 296 OD1 ASP A 22 -15.660 -1.776 14.968 1.00 0.00 O ATOM 297 OD2 ASP A 22 -17.632 -2.467 14.287 1.00 0.00 O ATOM 0 H ASP A 22 -15.495 0.485 10.855 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.619 0.605 13.809 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.315 -0.778 12.412 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.971 -1.844 12.054 1.00 0.00 H new ATOM 302 N ILE A 23 -13.173 -0.216 11.952 1.00 0.00 N ATOM 303 CA ILE A 23 -11.782 -0.649 11.919 1.00 0.00 C ATOM 304 C ILE A 23 -10.845 0.480 12.336 1.00 0.00 C ATOM 305 O ILE A 23 -11.124 1.653 12.091 1.00 0.00 O ATOM 306 CB ILE A 23 -11.379 -1.144 10.518 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.598 -1.706 9.782 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.286 -2.197 10.622 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.429 -2.649 10.623 1.00 0.00 C ATOM 0 H ILE A 23 -13.480 0.281 11.116 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.692 -1.474 12.626 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.990 -0.300 9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.226 -0.879 9.451 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.262 -2.230 8.887 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.012 -2.537 9.623 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.412 -1.767 11.111 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.650 -3.042 11.206 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.276 -3.008 10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.817 -3.496 10.933 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.795 -2.123 11.505 1.00 0.00 H new ATOM 321 N GLU A 24 -9.732 0.116 12.965 1.00 0.00 N ATOM 322 CA GLU A 24 -8.753 1.099 13.414 1.00 0.00 C ATOM 323 C GLU A 24 -7.551 1.138 12.475 1.00 0.00 C ATOM 324 O GLU A 24 -6.742 0.210 12.443 1.00 0.00 O ATOM 325 CB GLU A 24 -8.291 0.779 14.837 1.00 0.00 C ATOM 326 CG GLU A 24 -7.023 1.510 15.245 1.00 0.00 C ATOM 327 CD GLU A 24 -6.629 1.236 16.683 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.832 0.095 17.147 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.117 2.164 17.344 1.00 0.00 O ATOM 0 H GLU A 24 -9.486 -0.851 13.175 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.231 2.079 13.406 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.088 1.035 15.535 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.125 -0.295 14.923 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.208 1.212 14.586 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.166 2.582 15.109 1.00 0.00 H new ATOM 336 N LEU A 25 -7.440 2.219 11.710 1.00 0.00 N ATOM 337 CA LEU A 25 -6.337 2.380 10.769 1.00 0.00 C ATOM 338 C LEU A 25 -5.088 2.896 11.476 1.00 0.00 C ATOM 339 O LEU A 25 -5.076 4.006 12.009 1.00 0.00 O ATOM 340 CB LEU A 25 -6.735 3.341 9.647 1.00 0.00 C ATOM 341 CG LEU A 25 -7.707 2.789 8.604 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.073 3.865 7.593 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.108 1.579 7.904 1.00 0.00 C ATOM 0 H LEU A 25 -8.100 2.996 11.723 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.112 1.403 10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.181 4.228 10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.829 3.665 9.135 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.617 2.474 9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.765 3.454 6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.545 4.702 8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.171 4.211 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.814 1.200 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.182 1.868 7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.898 0.801 8.638 1.00 0.00 H new ATOM 355 N LYS A 26 -4.036 2.084 11.476 1.00 0.00 N ATOM 356 CA LYS A 26 -2.780 2.458 12.114 1.00 0.00 C ATOM 357 C LYS A 26 -1.796 3.019 11.092 1.00 0.00 C ATOM 358 O LYS A 26 -1.724 2.565 9.950 1.00 0.00 O ATOM 359 CB LYS A 26 -2.163 1.249 12.821 1.00 0.00 C ATOM 360 CG LYS A 26 -2.880 0.864 14.104 1.00 0.00 C ATOM 361 CD LYS A 26 -2.779 -0.628 14.373 1.00 0.00 C ATOM 362 CE LYS A 26 -3.913 -1.393 13.707 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.952 -2.817 14.142 1.00 0.00 N ATOM 0 H LYS A 26 -4.029 1.162 11.041 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.993 3.233 12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.171 0.398 12.141 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.119 1.465 13.049 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.451 1.415 14.941 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.929 1.152 14.036 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.823 -1.001 14.006 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.800 -0.807 15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.863 -0.914 13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.795 -1.347 12.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.738 -3.304 13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.055 -3.281 13.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.090 -2.862 15.172 1.00 0.00 H new ATOM 377 N PRO A 27 -1.018 4.028 11.510 1.00 0.00 N ATOM 378 CA PRO A 27 -0.023 4.671 10.647 1.00 0.00 C ATOM 379 C PRO A 27 1.159 3.756 10.344 1.00 0.00 C ATOM 380 O PRO A 27 2.064 3.601 11.165 1.00 0.00 O ATOM 381 CB PRO A 27 0.433 5.879 11.469 1.00 0.00 C ATOM 382 CG PRO A 27 0.174 5.493 12.885 1.00 0.00 C ATOM 383 CD PRO A 27 -1.049 4.620 12.859 1.00 0.00 C ATOM 0 HA PRO A 27 -0.437 4.933 9.673 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.489 6.094 11.304 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.122 6.776 11.195 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.026 4.959 13.306 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.012 6.374 13.506 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.013 3.855 13.634 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.959 5.198 13.023 1.00 0.00 H new ATOM 391 N LEU A 28 1.145 3.151 9.161 1.00 0.00 N ATOM 392 CA LEU A 28 2.217 2.251 8.749 1.00 0.00 C ATOM 393 C LEU A 28 3.498 3.027 8.459 1.00 0.00 C ATOM 394 O LEU A 28 4.588 2.614 8.852 1.00 0.00 O ATOM 395 CB LEU A 28 1.795 1.458 7.511 1.00 0.00 C ATOM 396 CG LEU A 28 2.925 1.019 6.578 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.510 -0.204 5.776 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.324 2.158 5.651 1.00 0.00 C ATOM 0 H LEU A 28 0.403 3.267 8.470 1.00 0.00 H new ATOM 0 HA LEU A 28 2.412 1.558 9.568 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.256 0.569 7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.092 2.063 6.938 1.00 0.00 H new ATOM 0 HG LEU A 28 3.790 0.753 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.326 -0.502 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.275 -1.023 6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.630 0.034 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.129 1.828 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.465 2.456 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.664 3.007 6.244 1.00 0.00 H new ATOM 410 N GLY A 29 3.357 4.155 7.769 1.00 0.00 N ATOM 411 CA GLY A 29 4.511 4.971 7.440 1.00 0.00 C ATOM 412 C GLY A 29 4.152 6.158 6.568 1.00 0.00 C ATOM 413 O GLY A 29 3.142 6.822 6.798 1.00 0.00 O ATOM 0 H GLY A 29 2.465 4.518 7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.975 5.327 8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.251 4.358 6.927 1.00 0.00 H new ATOM 417 N MET A 30 4.981 6.425 5.564 1.00 0.00 N ATOM 418 CA MET A 30 4.745 7.541 4.655 1.00 0.00 C ATOM 419 C MET A 30 5.572 7.389 3.382 1.00 0.00 C ATOM 420 O MET A 30 6.746 7.024 3.433 1.00 0.00 O ATOM 421 CB MET A 30 5.082 8.866 5.341 1.00 0.00 C ATOM 422 CG MET A 30 5.245 10.027 4.374 1.00 0.00 C ATOM 423 SD MET A 30 6.941 10.214 3.792 1.00 0.00 S ATOM 424 CE MET A 30 7.690 11.044 5.192 1.00 0.00 C ATOM 0 H MET A 30 5.821 5.884 5.359 1.00 0.00 H new ATOM 0 HA MET A 30 3.689 7.539 4.384 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.294 9.107 6.055 1.00 0.00 H new ATOM 0 HB3 MET A 30 6.003 8.747 5.911 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.586 9.878 3.519 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.929 10.949 4.863 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.739 10.758 5.266 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.617 12.123 5.057 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.171 10.756 6.106 1.00 0.00 H new ATOM 434 N VAL A 31 4.951 7.671 2.241 1.00 0.00 N ATOM 435 CA VAL A 31 5.630 7.567 0.955 1.00 0.00 C ATOM 436 C VAL A 31 6.968 8.297 0.979 1.00 0.00 C ATOM 437 O VAL A 31 7.015 9.525 1.053 1.00 0.00 O ATOM 438 CB VAL A 31 4.765 8.138 -0.184 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.485 8.007 -1.518 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.414 7.442 -0.227 1.00 0.00 C ATOM 0 H VAL A 31 3.979 7.973 2.181 1.00 0.00 H new ATOM 0 HA VAL A 31 5.802 6.506 0.773 1.00 0.00 H new ATOM 0 HB VAL A 31 4.596 9.198 0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.859 8.416 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.426 8.556 -1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.687 6.955 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.816 7.858 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.560 6.375 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.896 7.593 0.720 1.00 0.00 H new ATOM 450 N SER A 32 8.054 7.534 0.916 1.00 0.00 N ATOM 451 CA SER A 32 9.394 8.109 0.933 1.00 0.00 C ATOM 452 C SER A 32 9.951 8.232 -0.482 1.00 0.00 C ATOM 453 O SER A 32 10.783 9.095 -0.761 1.00 0.00 O ATOM 454 CB SER A 32 10.328 7.251 1.789 1.00 0.00 C ATOM 455 OG SER A 32 10.324 7.683 3.138 1.00 0.00 O ATOM 0 H SER A 32 8.033 6.516 0.853 1.00 0.00 H new ATOM 0 HA SER A 32 9.329 9.107 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.018 6.207 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.341 7.302 1.390 1.00 0.00 H new ATOM 0 HG SER A 32 11.193 7.487 3.547 1.00 0.00 H new ATOM 461 N SER A 33 9.486 7.361 -1.372 1.00 0.00 N ATOM 462 CA SER A 33 9.939 7.368 -2.758 1.00 0.00 C ATOM 463 C SER A 33 8.941 6.650 -3.660 1.00 0.00 C ATOM 464 O SER A 33 8.003 6.011 -3.181 1.00 0.00 O ATOM 465 CB SER A 33 11.314 6.706 -2.870 1.00 0.00 C ATOM 466 OG SER A 33 12.291 7.433 -2.146 1.00 0.00 O ATOM 0 H SER A 33 8.796 6.641 -1.158 1.00 0.00 H new ATOM 0 HA SER A 33 10.015 8.405 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.261 5.685 -2.491 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.606 6.643 -3.918 1.00 0.00 H new ATOM 0 HG SER A 33 11.922 8.301 -1.880 1.00 0.00 H new ATOM 472 N ILE A 34 9.149 6.759 -4.968 1.00 0.00 N ATOM 473 CA ILE A 34 8.269 6.119 -5.937 1.00 0.00 C ATOM 474 C ILE A 34 9.070 5.410 -7.024 1.00 0.00 C ATOM 475 O ILE A 34 10.002 5.980 -7.593 1.00 0.00 O ATOM 476 CB ILE A 34 7.322 7.139 -6.596 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.212 7.541 -5.622 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.730 6.563 -7.874 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.580 8.710 -4.736 1.00 0.00 C ATOM 0 H ILE A 34 9.920 7.285 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 34 7.677 5.386 -5.389 1.00 0.00 H new ATOM 0 HB ILE A 34 7.894 8.030 -6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.316 7.793 -6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.962 6.685 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.063 7.296 -8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.533 6.322 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.170 5.658 -7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.747 8.940 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.458 8.454 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.801 9.580 -5.355 1.00 0.00 H new ATOM 491 N ILE A 35 8.700 4.166 -7.308 1.00 0.00 N ATOM 492 CA ILE A 35 9.383 3.381 -8.328 1.00 0.00 C ATOM 493 C ILE A 35 8.790 3.640 -9.709 1.00 0.00 C ATOM 494 O ILE A 35 7.642 4.065 -9.832 1.00 0.00 O ATOM 495 CB ILE A 35 9.306 1.873 -8.024 1.00 0.00 C ATOM 496 CG1 ILE A 35 9.987 1.565 -6.688 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.946 1.072 -9.148 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.583 0.232 -6.097 1.00 0.00 C ATOM 0 H ILE A 35 7.931 3.680 -6.846 1.00 0.00 H new ATOM 0 HA ILE A 35 10.428 3.692 -8.319 1.00 0.00 H new ATOM 0 HB ILE A 35 8.257 1.585 -7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.068 1.578 -6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.748 2.356 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.884 0.008 -8.918 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.421 1.273 -10.082 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.992 1.360 -9.250 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.104 0.080 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.507 0.222 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.847 -0.568 -6.789 1.00 0.00 H new ATOM 510 N GLU A 36 9.581 3.379 -10.745 1.00 0.00 N ATOM 511 CA GLU A 36 9.133 3.583 -12.118 1.00 0.00 C ATOM 512 C GLU A 36 7.646 3.271 -12.257 1.00 0.00 C ATOM 513 O GLU A 36 6.922 3.960 -12.975 1.00 0.00 O ATOM 514 CB GLU A 36 9.941 2.707 -13.077 1.00 0.00 C ATOM 515 CG GLU A 36 11.435 2.981 -13.040 1.00 0.00 C ATOM 516 CD GLU A 36 12.172 2.362 -14.212 1.00 0.00 C ATOM 517 OE1 GLU A 36 11.972 1.157 -14.470 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.948 3.084 -14.872 1.00 0.00 O ATOM 0 H GLU A 36 10.534 3.026 -10.660 1.00 0.00 H new ATOM 0 HA GLU A 36 9.292 4.631 -12.373 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.766 1.659 -12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.577 2.863 -14.092 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.603 4.058 -13.038 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.849 2.592 -12.109 1.00 0.00 H new ATOM 525 N GLN A 37 7.199 2.228 -11.565 1.00 0.00 N ATOM 526 CA GLN A 37 5.799 1.824 -11.613 1.00 0.00 C ATOM 527 C GLN A 37 5.237 1.642 -10.207 1.00 0.00 C ATOM 528 O GLN A 37 4.088 1.994 -9.936 1.00 0.00 O ATOM 529 CB GLN A 37 5.648 0.525 -12.407 1.00 0.00 C ATOM 530 CG GLN A 37 6.774 -0.468 -12.169 1.00 0.00 C ATOM 531 CD GLN A 37 6.975 -1.413 -13.337 1.00 0.00 C ATOM 532 OE1 GLN A 37 6.025 -2.023 -13.828 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.217 -1.539 -13.790 1.00 0.00 N ATOM 0 H GLN A 37 7.786 1.648 -10.965 1.00 0.00 H new ATOM 0 HA GLN A 37 5.236 2.613 -12.111 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.700 0.056 -12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.602 0.762 -13.470 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.700 0.076 -11.983 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.559 -1.047 -11.271 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.975 -1.014 -13.353 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.413 -2.160 -14.575 1.00 0.00 H new ATOM 542 N LEU A 38 6.053 1.091 -9.315 1.00 0.00 N ATOM 543 CA LEU A 38 5.637 0.863 -7.936 1.00 0.00 C ATOM 544 C LEU A 38 5.894 2.097 -7.078 1.00 0.00 C ATOM 545 O LEU A 38 6.461 3.084 -7.546 1.00 0.00 O ATOM 546 CB LEU A 38 6.378 -0.341 -7.352 1.00 0.00 C ATOM 547 CG LEU A 38 6.264 -1.647 -8.140 1.00 0.00 C ATOM 548 CD1 LEU A 38 4.963 -1.683 -8.926 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.456 -1.815 -9.070 1.00 0.00 C ATOM 0 H LEU A 38 7.007 0.794 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 38 4.566 0.659 -7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.434 -0.084 -7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.007 -0.516 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 38 6.261 -2.477 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.899 -2.619 -9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.120 -1.610 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.936 -0.846 -9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.358 -2.750 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.491 -0.981 -9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.375 -1.835 -8.484 1.00 0.00 H new ATOM 561 N VAL A 39 5.474 2.034 -5.818 1.00 0.00 N ATOM 562 CA VAL A 39 5.662 3.145 -4.893 1.00 0.00 C ATOM 563 C VAL A 39 6.360 2.687 -3.618 1.00 0.00 C ATOM 564 O VAL A 39 6.041 1.632 -3.068 1.00 0.00 O ATOM 565 CB VAL A 39 4.318 3.800 -4.522 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.490 4.742 -3.341 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.736 4.535 -5.720 1.00 0.00 C ATOM 0 H VAL A 39 5.001 1.225 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 39 6.287 3.878 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 39 3.620 3.015 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.530 5.195 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.860 4.184 -2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.204 5.524 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.787 4.992 -5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.430 5.310 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.573 3.830 -6.535 1.00 0.00 H new ATOM 577 N ILE A 40 7.314 3.486 -3.152 1.00 0.00 N ATOM 578 CA ILE A 40 8.056 3.163 -1.940 1.00 0.00 C ATOM 579 C ILE A 40 7.487 3.902 -0.733 1.00 0.00 C ATOM 580 O ILE A 40 7.310 5.120 -0.765 1.00 0.00 O ATOM 581 CB ILE A 40 9.549 3.513 -2.084 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.106 2.938 -3.388 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.334 2.990 -0.890 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.221 1.430 -3.383 1.00 0.00 C ATOM 0 H ILE A 40 7.591 4.362 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 40 7.956 2.089 -1.786 1.00 0.00 H new ATOM 0 HB ILE A 40 9.651 4.598 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.463 3.242 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.090 3.369 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.387 3.245 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.950 3.443 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.228 1.907 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.623 1.093 -4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.888 1.119 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.236 0.990 -3.228 1.00 0.00 H new ATOM 596 N ILE A 41 7.204 3.157 0.330 1.00 0.00 N ATOM 597 CA ILE A 41 6.658 3.742 1.548 1.00 0.00 C ATOM 598 C ILE A 41 7.536 3.422 2.753 1.00 0.00 C ATOM 599 O ILE A 41 7.689 2.261 3.131 1.00 0.00 O ATOM 600 CB ILE A 41 5.228 3.239 1.822 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.336 3.484 0.603 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.652 3.924 3.053 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.228 2.465 0.451 1.00 0.00 C ATOM 0 H ILE A 41 7.344 2.148 0.372 1.00 0.00 H new ATOM 0 HA ILE A 41 6.633 4.821 1.396 1.00 0.00 H new ATOM 0 HB ILE A 41 5.266 2.166 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.896 4.478 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.952 3.475 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.641 3.558 3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.278 3.704 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.624 5.001 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.636 2.701 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.661 1.470 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.588 2.489 1.333 1.00 0.00 H new ATOM 615 N GLU A 42 8.110 4.461 3.352 1.00 0.00 N ATOM 616 CA GLU A 42 8.973 4.290 4.516 1.00 0.00 C ATOM 617 C GLU A 42 8.146 4.151 5.791 1.00 0.00 C ATOM 618 O GLU A 42 7.161 4.864 5.986 1.00 0.00 O ATOM 619 CB GLU A 42 9.933 5.474 4.645 1.00 0.00 C ATOM 620 CG GLU A 42 10.825 5.403 5.872 1.00 0.00 C ATOM 621 CD GLU A 42 11.256 6.773 6.361 1.00 0.00 C ATOM 622 OE1 GLU A 42 11.572 7.633 5.513 1.00 0.00 O ATOM 623 OE2 GLU A 42 11.275 6.984 7.591 1.00 0.00 O ATOM 0 H GLU A 42 7.993 5.429 3.051 1.00 0.00 H new ATOM 0 HA GLU A 42 9.551 3.376 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.559 5.522 3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.355 6.397 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.295 4.886 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.709 4.810 5.640 1.00 0.00 H new ATOM 630 N SER A 43 8.552 3.226 6.655 1.00 0.00 N ATOM 631 CA SER A 43 7.847 2.989 7.909 1.00 0.00 C ATOM 632 C SER A 43 8.352 3.927 9.002 1.00 0.00 C ATOM 633 O SER A 43 9.240 4.747 8.769 1.00 0.00 O ATOM 634 CB SER A 43 8.021 1.535 8.349 1.00 0.00 C ATOM 635 OG SER A 43 9.384 1.148 8.307 1.00 0.00 O ATOM 0 H SER A 43 9.366 2.628 6.509 1.00 0.00 H new ATOM 0 HA SER A 43 6.788 3.187 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.635 1.409 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.435 0.883 7.701 1.00 0.00 H new ATOM 0 HG SER A 43 9.586 0.757 7.432 1.00 0.00 H new ATOM 641 N MET A 44 7.780 3.798 10.194 1.00 0.00 N ATOM 642 CA MET A 44 8.172 4.633 11.324 1.00 0.00 C ATOM 643 C MET A 44 8.576 3.776 12.519 1.00 0.00 C ATOM 644 O MET A 44 9.756 3.679 12.857 1.00 0.00 O ATOM 645 CB MET A 44 7.027 5.568 11.716 1.00 0.00 C ATOM 646 CG MET A 44 6.379 6.267 10.531 1.00 0.00 C ATOM 647 SD MET A 44 7.181 7.830 10.124 1.00 0.00 S ATOM 648 CE MET A 44 6.387 8.221 8.566 1.00 0.00 C ATOM 0 H MET A 44 7.044 3.124 10.403 1.00 0.00 H new ATOM 0 HA MET A 44 9.032 5.231 11.021 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.268 4.996 12.249 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.404 6.320 12.409 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.413 5.609 9.663 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.327 6.449 10.752 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.778 9.164 8.185 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.588 7.427 7.846 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.311 8.310 8.718 1.00 0.00 H new ATOM 658 N THR A 45 7.589 3.154 13.156 1.00 0.00 N ATOM 659 CA THR A 45 7.841 2.306 14.314 1.00 0.00 C ATOM 660 C THR A 45 6.558 1.643 14.801 1.00 0.00 C ATOM 661 O THR A 45 5.463 1.989 14.359 1.00 0.00 O ATOM 662 CB THR A 45 8.463 3.108 15.473 1.00 0.00 C ATOM 663 OG1 THR A 45 8.795 2.230 16.554 1.00 0.00 O ATOM 664 CG2 THR A 45 7.504 4.183 15.963 1.00 0.00 C ATOM 0 H THR A 45 6.607 3.222 12.889 1.00 0.00 H new ATOM 0 HA THR A 45 8.545 1.537 13.995 1.00 0.00 H new ATOM 0 HB THR A 45 9.369 3.591 15.106 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.191 2.747 17.286 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.965 4.736 16.781 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.276 4.867 15.146 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.583 3.717 16.314 1.00 0.00 H new ATOM 672 N ASN A 46 6.700 0.688 15.715 1.00 0.00 N ATOM 673 CA ASN A 46 5.551 -0.023 16.262 1.00 0.00 C ATOM 674 C ASN A 46 4.745 -0.691 15.151 1.00 0.00 C ATOM 675 O ASN A 46 3.528 -0.848 15.260 1.00 0.00 O ATOM 676 CB ASN A 46 4.657 0.937 17.049 1.00 0.00 C ATOM 677 CG ASN A 46 3.850 0.230 18.120 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.188 0.279 19.302 1.00 0.00 O ATOM 679 ND2 ASN A 46 2.775 -0.434 17.709 1.00 0.00 N ATOM 0 H ASN A 46 7.599 0.389 16.092 1.00 0.00 H new ATOM 0 HA ASN A 46 5.921 -0.797 16.934 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.274 1.707 17.512 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.979 1.443 16.362 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.193 -0.930 18.384 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.532 -0.448 16.718 1.00 0.00 H new ATOM 686 N LEU A 47 5.431 -1.081 14.083 1.00 0.00 N ATOM 687 CA LEU A 47 4.780 -1.732 12.951 1.00 0.00 C ATOM 688 C LEU A 47 4.624 -3.229 13.200 1.00 0.00 C ATOM 689 O LEU A 47 5.577 -3.928 13.545 1.00 0.00 O ATOM 690 CB LEU A 47 5.584 -1.497 11.671 1.00 0.00 C ATOM 691 CG LEU A 47 5.214 -0.252 10.865 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.039 0.942 11.319 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.409 -0.502 9.377 1.00 0.00 C ATOM 0 H LEU A 47 6.438 -0.958 13.977 1.00 0.00 H new ATOM 0 HA LEU A 47 3.788 -1.297 12.834 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.640 -1.434 11.935 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.468 -2.369 11.028 1.00 0.00 H new ATOM 0 HG LEU A 47 4.162 -0.029 11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.762 1.819 10.734 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.849 1.135 12.375 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.098 0.729 11.174 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.141 0.395 8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.452 -0.751 9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.774 -1.329 9.061 1.00 0.00 H new ATOM 705 N PRO A 48 3.395 -3.734 13.020 1.00 0.00 N ATOM 706 CA PRO A 48 3.086 -5.153 13.217 1.00 0.00 C ATOM 707 C PRO A 48 3.713 -6.038 12.145 1.00 0.00 C ATOM 708 O PRO A 48 4.025 -5.590 11.041 1.00 0.00 O ATOM 709 CB PRO A 48 1.559 -5.200 13.124 1.00 0.00 C ATOM 710 CG PRO A 48 1.194 -4.019 12.293 1.00 0.00 C ATOM 711 CD PRO A 48 2.212 -2.959 12.610 1.00 0.00 C ATOM 0 HA PRO A 48 3.481 -5.528 14.161 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.219 -6.128 12.664 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.100 -5.146 14.111 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.208 -4.269 11.232 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.186 -3.674 12.526 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.423 -2.332 11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.869 -2.298 13.406 1.00 0.00 H new ATOM 719 N PRO A 49 3.902 -7.324 12.473 1.00 0.00 N ATOM 720 CA PRO A 49 4.492 -8.298 11.551 1.00 0.00 C ATOM 721 C PRO A 49 3.564 -8.630 10.387 1.00 0.00 C ATOM 722 O PRO A 49 2.890 -9.660 10.391 1.00 0.00 O ATOM 723 CB PRO A 49 4.710 -9.533 12.429 1.00 0.00 C ATOM 724 CG PRO A 49 3.705 -9.402 13.521 1.00 0.00 C ATOM 725 CD PRO A 49 3.553 -7.927 13.771 1.00 0.00 C ATOM 0 HA PRO A 49 5.404 -7.920 11.089 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.562 -10.453 11.863 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.725 -9.563 12.826 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.754 -9.848 13.231 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.038 -9.918 14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.537 -7.673 14.072 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.216 -7.583 14.565 1.00 0.00 H new ATOM 733 N VAL A 50 3.535 -7.751 9.390 1.00 0.00 N ATOM 734 CA VAL A 50 2.691 -7.952 8.218 1.00 0.00 C ATOM 735 C VAL A 50 3.512 -8.428 7.025 1.00 0.00 C ATOM 736 O VAL A 50 4.624 -7.956 6.796 1.00 0.00 O ATOM 737 CB VAL A 50 1.949 -6.658 7.833 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.637 -6.548 8.595 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.828 -5.444 8.089 1.00 0.00 C ATOM 0 H VAL A 50 4.086 -6.893 9.371 1.00 0.00 H new ATOM 0 HA VAL A 50 1.960 -8.717 8.481 1.00 0.00 H new ATOM 0 HB VAL A 50 1.720 -6.694 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.127 -5.628 8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.004 -7.403 8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.838 -6.535 9.666 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.288 -4.539 7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.090 -5.401 9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.737 -5.521 7.493 1.00 0.00 H new ATOM 749 N ASN A 51 2.954 -9.367 6.267 1.00 0.00 N ATOM 750 CA ASN A 51 3.635 -9.908 5.096 1.00 0.00 C ATOM 751 C ASN A 51 3.167 -9.209 3.824 1.00 0.00 C ATOM 752 O ASN A 51 2.297 -8.340 3.866 1.00 0.00 O ATOM 753 CB ASN A 51 3.385 -11.413 4.986 1.00 0.00 C ATOM 754 CG ASN A 51 3.809 -12.163 6.234 1.00 0.00 C ATOM 755 OD1 ASN A 51 4.216 -11.559 7.226 1.00 0.00 O ATOM 756 ND2 ASN A 51 3.717 -13.487 6.188 1.00 0.00 N ATOM 0 H ASN A 51 2.033 -9.769 6.443 1.00 0.00 H new ATOM 0 HA ASN A 51 4.704 -9.732 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.325 -11.590 4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.928 -11.807 4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.990 -14.046 6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.374 -13.945 5.344 1.00 0.00 H new ATOM 763 N GLU A 52 3.751 -9.595 2.694 1.00 0.00 N ATOM 764 CA GLU A 52 3.394 -9.004 1.409 1.00 0.00 C ATOM 765 C GLU A 52 1.883 -9.028 1.201 1.00 0.00 C ATOM 766 O GLU A 52 1.267 -7.997 0.931 1.00 0.00 O ATOM 767 CB GLU A 52 4.089 -9.751 0.268 1.00 0.00 C ATOM 768 CG GLU A 52 5.581 -9.478 0.182 1.00 0.00 C ATOM 769 CD GLU A 52 6.317 -10.516 -0.642 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.778 -10.938 -1.686 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.434 -10.907 -0.241 1.00 0.00 O ATOM 0 H GLU A 52 4.473 -10.314 2.642 1.00 0.00 H new ATOM 0 HA GLU A 52 3.727 -7.966 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.931 -10.822 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.622 -9.471 -0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.742 -8.492 -0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.001 -9.453 1.188 1.00 0.00 H new ATOM 778 N GLU A 53 1.292 -10.212 1.329 1.00 0.00 N ATOM 779 CA GLU A 53 -0.147 -10.370 1.153 1.00 0.00 C ATOM 780 C GLU A 53 -0.907 -9.240 1.842 1.00 0.00 C ATOM 781 O GLU A 53 -2.039 -8.923 1.475 1.00 0.00 O ATOM 782 CB GLU A 53 -0.606 -11.720 1.709 1.00 0.00 C ATOM 783 CG GLU A 53 -0.570 -12.843 0.686 1.00 0.00 C ATOM 784 CD GLU A 53 0.825 -13.401 0.479 1.00 0.00 C ATOM 785 OE1 GLU A 53 1.686 -12.664 -0.045 1.00 0.00 O ATOM 786 OE2 GLU A 53 1.055 -14.573 0.843 1.00 0.00 O ATOM 0 H GLU A 53 1.787 -11.075 1.554 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.363 -10.332 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.027 -11.989 2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.622 -11.620 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.234 -13.645 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.955 -12.475 -0.265 1.00 0.00 H new ATOM 793 N THR A 54 -0.276 -8.635 2.844 1.00 0.00 N ATOM 794 CA THR A 54 -0.891 -7.542 3.586 1.00 0.00 C ATOM 795 C THR A 54 -1.265 -6.391 2.659 1.00 0.00 C ATOM 796 O THR A 54 -0.435 -5.902 1.893 1.00 0.00 O ATOM 797 CB THR A 54 0.046 -7.014 4.689 1.00 0.00 C ATOM 798 OG1 THR A 54 0.388 -8.074 5.590 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.611 -5.879 5.459 1.00 0.00 C ATOM 0 H THR A 54 0.661 -8.884 3.160 1.00 0.00 H new ATOM 0 HA THR A 54 -1.794 -7.942 4.048 1.00 0.00 H new ATOM 0 HB THR A 54 0.951 -6.634 4.215 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.945 -8.732 5.124 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.069 -5.522 6.232 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.843 -5.062 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.530 -6.238 5.922 1.00 0.00 H new ATOM 807 N VAL A 55 -2.521 -5.961 2.735 1.00 0.00 N ATOM 808 CA VAL A 55 -3.005 -4.865 1.904 1.00 0.00 C ATOM 809 C VAL A 55 -2.848 -3.526 2.615 1.00 0.00 C ATOM 810 O VAL A 55 -3.155 -3.401 3.801 1.00 0.00 O ATOM 811 CB VAL A 55 -4.484 -5.061 1.522 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.914 -4.023 0.497 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.716 -6.470 0.996 1.00 0.00 C ATOM 0 H VAL A 55 -3.221 -6.355 3.363 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.401 -4.865 0.997 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.093 -4.926 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.962 -4.178 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.787 -3.024 0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.302 -4.122 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.766 -6.591 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.098 -6.635 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.450 -7.194 1.766 1.00 0.00 H new ATOM 823 N ILE A 56 -2.369 -2.526 1.882 1.00 0.00 N ATOM 824 CA ILE A 56 -2.173 -1.195 2.442 1.00 0.00 C ATOM 825 C ILE A 56 -3.343 -0.277 2.102 1.00 0.00 C ATOM 826 O ILE A 56 -3.636 -0.036 0.931 1.00 0.00 O ATOM 827 CB ILE A 56 -0.868 -0.555 1.932 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.326 -1.456 2.253 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.679 0.824 2.545 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.388 -1.883 3.702 1.00 0.00 C ATOM 0 H ILE A 56 -2.110 -2.613 0.899 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.110 -1.315 3.524 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.934 -0.443 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.281 -2.344 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.246 -0.931 1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.247 1.263 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.518 1.463 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.630 0.736 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.259 -2.519 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.465 -1.001 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.516 -2.437 3.957 1.00 0.00 H new ATOM 842 N PHE A 57 -4.007 0.233 3.133 1.00 0.00 N ATOM 843 CA PHE A 57 -5.145 1.125 2.944 1.00 0.00 C ATOM 844 C PHE A 57 -4.698 2.584 2.941 1.00 0.00 C ATOM 845 O PHE A 57 -3.781 2.966 3.668 1.00 0.00 O ATOM 846 CB PHE A 57 -6.185 0.901 4.044 1.00 0.00 C ATOM 847 CG PHE A 57 -6.963 -0.373 3.882 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.310 -1.590 3.765 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.348 -0.355 3.848 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.023 -2.764 3.615 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.067 -1.526 3.699 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.404 -2.732 3.584 1.00 0.00 C ATOM 0 H PHE A 57 -3.777 0.044 4.109 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.595 0.899 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.683 0.890 5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.878 1.742 4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.231 -1.621 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.872 0.585 3.939 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.502 -3.705 3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.146 -1.498 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.964 -3.648 3.470 1.00 0.00 H new ATOM 862 N LYS A 58 -5.352 3.395 2.117 1.00 0.00 N ATOM 863 CA LYS A 58 -5.024 4.813 2.018 1.00 0.00 C ATOM 864 C LYS A 58 -5.635 5.595 3.176 1.00 0.00 C ATOM 865 O LYS A 58 -6.349 5.035 4.007 1.00 0.00 O ATOM 866 CB LYS A 58 -5.521 5.380 0.686 1.00 0.00 C ATOM 867 CG LYS A 58 -4.533 5.209 -0.455 1.00 0.00 C ATOM 868 CD LYS A 58 -5.241 5.107 -1.795 1.00 0.00 C ATOM 869 CE LYS A 58 -6.229 6.246 -1.992 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.895 6.179 -3.322 1.00 0.00 N ATOM 0 H LYS A 58 -6.113 3.095 1.508 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.940 4.914 2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.458 4.891 0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.739 6.441 0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.844 6.053 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.936 4.313 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.505 5.120 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.766 4.154 -1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.983 6.212 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.709 7.199 -1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.716 7.060 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.516 5.374 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.919 6.056 -3.191 1.00 0.00 H new ATOM 884 N SER A 59 -5.351 6.893 3.223 1.00 0.00 N ATOM 885 CA SER A 59 -5.871 7.751 4.281 1.00 0.00 C ATOM 886 C SER A 59 -7.379 7.936 4.137 1.00 0.00 C ATOM 887 O SER A 59 -8.078 8.205 5.115 1.00 0.00 O ATOM 888 CB SER A 59 -5.173 9.112 4.251 1.00 0.00 C ATOM 889 OG SER A 59 -5.427 9.789 3.033 1.00 0.00 O ATOM 0 H SER A 59 -4.764 7.373 2.541 1.00 0.00 H new ATOM 0 HA SER A 59 -5.671 7.269 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.518 9.720 5.087 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.099 8.976 4.378 1.00 0.00 H new ATOM 0 HG SER A 59 -4.971 10.657 3.040 1.00 0.00 H new ATOM 895 N ASP A 60 -7.872 7.791 2.913 1.00 0.00 N ATOM 896 CA ASP A 60 -9.297 7.941 2.640 1.00 0.00 C ATOM 897 C ASP A 60 -10.020 6.604 2.772 1.00 0.00 C ATOM 898 O ASP A 60 -11.119 6.427 2.247 1.00 0.00 O ATOM 899 CB ASP A 60 -9.512 8.515 1.238 1.00 0.00 C ATOM 900 CG ASP A 60 -9.183 9.993 1.161 1.00 0.00 C ATOM 901 OD1 ASP A 60 -8.003 10.326 0.923 1.00 0.00 O ATOM 902 OD2 ASP A 60 -10.105 10.816 1.339 1.00 0.00 O ATOM 0 H ASP A 60 -7.307 7.570 2.093 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.711 8.631 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.892 7.970 0.526 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.549 8.361 0.940 1.00 0.00 H new ATOM 907 N ARG A 61 -9.394 5.666 3.476 1.00 0.00 N ATOM 908 CA ARG A 61 -9.976 4.345 3.675 1.00 0.00 C ATOM 909 C ARG A 61 -10.194 3.640 2.339 1.00 0.00 C ATOM 910 O ARG A 61 -11.259 3.075 2.091 1.00 0.00 O ATOM 911 CB ARG A 61 -11.303 4.457 4.427 1.00 0.00 C ATOM 912 CG ARG A 61 -11.174 5.100 5.798 1.00 0.00 C ATOM 913 CD ARG A 61 -12.223 4.571 6.763 1.00 0.00 C ATOM 914 NE ARG A 61 -13.518 5.220 6.574 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.774 6.470 6.943 1.00 0.00 C ATOM 916 NH1 ARG A 61 -12.830 7.202 7.518 1.00 0.00 N ATOM 917 NH2 ARG A 61 -14.977 6.990 6.737 1.00 0.00 N ATOM 0 H ARG A 61 -8.484 5.797 3.918 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.279 3.754 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.003 5.038 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.731 3.461 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.179 4.907 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.276 6.181 5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.333 3.495 6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.885 4.728 7.787 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.266 4.684 6.135 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.904 6.806 7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.030 8.162 7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.706 6.430 6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.173 7.950 7.021 1.00 0.00 H new ATOM 931 N GLN A 62 -9.179 3.678 1.482 1.00 0.00 N ATOM 932 CA GLN A 62 -9.261 3.045 0.172 1.00 0.00 C ATOM 933 C GLN A 62 -8.039 2.170 -0.087 1.00 0.00 C ATOM 934 O GLN A 62 -6.915 2.664 -0.168 1.00 0.00 O ATOM 935 CB GLN A 62 -9.385 4.105 -0.924 1.00 0.00 C ATOM 936 CG GLN A 62 -10.820 4.514 -1.215 1.00 0.00 C ATOM 937 CD GLN A 62 -10.912 5.830 -1.961 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.644 6.927 -1.261 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.220 5.862 -3.153 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.290 4.141 1.672 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.148 2.412 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.817 4.988 -0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.932 3.724 -1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.304 3.734 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.368 4.594 -0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.418 4.995 -3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.277 6.756 -3.641 1.00 0.00 H new ATOM 948 N ALA A 63 -8.267 0.867 -0.216 1.00 0.00 N ATOM 949 CA ALA A 63 -7.185 -0.077 -0.467 1.00 0.00 C ATOM 950 C ALA A 63 -6.346 0.356 -1.666 1.00 0.00 C ATOM 951 O ALA A 63 -6.694 0.074 -2.812 1.00 0.00 O ATOM 952 CB ALA A 63 -7.744 -1.474 -0.689 1.00 0.00 C ATOM 0 H ALA A 63 -9.192 0.441 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.538 -0.092 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.925 -2.168 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.294 -1.791 0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.415 -1.465 -1.548 1.00 0.00 H new ATOM 958 N ALA A 64 -5.241 1.041 -1.392 1.00 0.00 N ATOM 959 CA ALA A 64 -4.353 1.512 -2.448 1.00 0.00 C ATOM 960 C ALA A 64 -3.741 0.342 -3.211 1.00 0.00 C ATOM 961 O ALA A 64 -3.485 0.437 -4.411 1.00 0.00 O ATOM 962 CB ALA A 64 -3.260 2.393 -1.864 1.00 0.00 C ATOM 0 H ALA A 64 -4.939 1.282 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.943 2.102 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.604 2.738 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.711 3.253 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.680 1.821 -1.140 1.00 0.00 H new ATOM 968 N GLY A 65 -3.507 -0.761 -2.507 1.00 0.00 N ATOM 969 CA GLY A 65 -2.926 -1.933 -3.136 1.00 0.00 C ATOM 970 C GLY A 65 -2.171 -2.804 -2.151 1.00 0.00 C ATOM 971 O GLY A 65 -1.919 -2.398 -1.016 1.00 0.00 O ATOM 0 H GLY A 65 -3.709 -0.864 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.716 -2.520 -3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.250 -1.618 -3.931 1.00 0.00 H new ATOM 975 N LYS A 66 -1.809 -4.007 -2.585 1.00 0.00 N ATOM 976 CA LYS A 66 -1.078 -4.939 -1.735 1.00 0.00 C ATOM 977 C LYS A 66 0.426 -4.706 -1.838 1.00 0.00 C ATOM 978 O LYS A 66 0.917 -4.202 -2.848 1.00 0.00 O ATOM 979 CB LYS A 66 -1.409 -6.382 -2.123 1.00 0.00 C ATOM 980 CG LYS A 66 -2.660 -6.921 -1.452 1.00 0.00 C ATOM 981 CD LYS A 66 -2.774 -8.428 -1.613 1.00 0.00 C ATOM 982 CE LYS A 66 -4.064 -8.957 -1.006 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.539 -10.188 -1.697 1.00 0.00 N ATOM 0 H LYS A 66 -2.010 -4.359 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.384 -4.767 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.534 -6.439 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.565 -7.021 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.643 -6.668 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.540 -6.441 -1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.736 -8.686 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.921 -8.911 -1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.907 -9.172 0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.834 -8.188 -1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.420 -10.517 -1.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.714 -9.977 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.815 -10.931 -1.620 1.00 0.00 H new ATOM 997 N ILE A 67 1.151 -5.076 -0.787 1.00 0.00 N ATOM 998 CA ILE A 67 2.598 -4.909 -0.762 1.00 0.00 C ATOM 999 C ILE A 67 3.258 -5.648 -1.922 1.00 0.00 C ATOM 1000 O ILE A 67 3.238 -6.877 -1.980 1.00 0.00 O ATOM 1001 CB ILE A 67 3.200 -5.415 0.562 1.00 0.00 C ATOM 1002 CG1 ILE A 67 2.980 -4.387 1.674 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.683 -5.710 0.392 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.871 -5.000 3.052 1.00 0.00 C ATOM 0 H ILE A 67 0.760 -5.493 0.058 1.00 0.00 H new ATOM 0 HA ILE A 67 2.793 -3.841 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 67 2.696 -6.340 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.805 -3.674 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.071 -3.825 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.094 -6.067 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.816 -6.474 -0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.203 -4.800 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.716 -4.212 3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.029 -5.691 3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.790 -5.539 3.284 1.00 0.00 H new ATOM 1016 N PHE A 68 3.842 -4.889 -2.843 1.00 0.00 N ATOM 1017 CA PHE A 68 4.509 -5.471 -4.002 1.00 0.00 C ATOM 1018 C PHE A 68 5.860 -6.063 -3.612 1.00 0.00 C ATOM 1019 O PHE A 68 6.311 -7.046 -4.198 1.00 0.00 O ATOM 1020 CB PHE A 68 4.697 -4.415 -5.093 1.00 0.00 C ATOM 1021 CG PHE A 68 5.562 -4.876 -6.231 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.060 -5.734 -7.196 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.876 -4.451 -6.336 1.00 0.00 C ATOM 1024 CE1 PHE A 68 5.853 -6.161 -8.244 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.675 -4.874 -7.383 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.162 -5.729 -8.338 1.00 0.00 C ATOM 0 H PHE A 68 3.867 -3.870 -2.810 1.00 0.00 H new ATOM 0 HA PHE A 68 3.879 -6.273 -4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.720 -4.129 -5.483 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.138 -3.522 -4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.037 -6.073 -7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.282 -3.782 -5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.450 -6.832 -8.989 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.698 -4.536 -7.453 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.783 -6.060 -9.157 1.00 0.00 H new ATOM 1036 N GLU A 69 6.501 -5.455 -2.618 1.00 0.00 N ATOM 1037 CA GLU A 69 7.801 -5.920 -2.151 1.00 0.00 C ATOM 1038 C GLU A 69 8.253 -5.131 -0.925 1.00 0.00 C ATOM 1039 O GLU A 69 7.898 -3.963 -0.760 1.00 0.00 O ATOM 1040 CB GLU A 69 8.843 -5.794 -3.264 1.00 0.00 C ATOM 1041 CG GLU A 69 10.268 -6.040 -2.796 1.00 0.00 C ATOM 1042 CD GLU A 69 11.186 -6.474 -3.922 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.707 -5.592 -4.636 1.00 0.00 O ATOM 1044 OE2 GLU A 69 11.383 -7.696 -4.088 1.00 0.00 O ATOM 0 H GLU A 69 6.141 -4.640 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 69 7.704 -6.969 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.603 -6.502 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.779 -4.796 -3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.660 -5.129 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.264 -6.805 -2.020 1.00 0.00 H new ATOM 1051 N ILE A 70 9.037 -5.777 -0.069 1.00 0.00 N ATOM 1052 CA ILE A 70 9.538 -5.137 1.141 1.00 0.00 C ATOM 1053 C ILE A 70 11.054 -5.262 1.242 1.00 0.00 C ATOM 1054 O ILE A 70 11.618 -6.329 0.999 1.00 0.00 O ATOM 1055 CB ILE A 70 8.899 -5.742 2.404 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.374 -5.737 2.283 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.340 -4.974 3.641 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.684 -6.614 3.305 1.00 0.00 C ATOM 0 H ILE A 70 9.339 -6.744 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 70 9.266 -4.083 1.076 1.00 0.00 H new ATOM 0 HB ILE A 70 9.233 -6.775 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.012 -4.714 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.096 -6.070 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.880 -5.414 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.425 -5.025 3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.032 -3.932 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.605 -6.562 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.017 -7.645 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.932 -6.268 4.308 1.00 0.00 H new ATOM 1070 N PHE A 71 11.710 -4.164 1.603 1.00 0.00 N ATOM 1071 CA PHE A 71 13.162 -4.151 1.738 1.00 0.00 C ATOM 1072 C PHE A 71 13.594 -3.234 2.879 1.00 0.00 C ATOM 1073 O PHE A 71 12.797 -2.455 3.400 1.00 0.00 O ATOM 1074 CB PHE A 71 13.813 -3.696 0.430 1.00 0.00 C ATOM 1075 CG PHE A 71 13.350 -2.344 -0.032 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.951 -1.191 0.448 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.315 -2.225 -0.944 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.528 0.056 0.025 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.888 -0.982 -1.371 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.494 0.160 -0.884 1.00 0.00 C ATOM 0 H PHE A 71 11.259 -3.272 1.807 1.00 0.00 H new ATOM 0 HA PHE A 71 13.490 -5.165 1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.895 -3.676 0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.599 -4.430 -0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.759 -1.267 1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.836 -3.114 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.006 0.947 0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.081 -0.903 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.159 1.132 -1.214 1.00 0.00 H new ATOM 1090 N GLY A 72 14.864 -3.334 3.262 1.00 0.00 N ATOM 1091 CA GLY A 72 15.380 -2.510 4.339 1.00 0.00 C ATOM 1092 C GLY A 72 15.617 -3.300 5.611 1.00 0.00 C ATOM 1093 O GLY A 72 15.612 -4.531 5.613 1.00 0.00 O ATOM 0 H GLY A 72 15.544 -3.971 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.315 -2.048 4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.678 -1.702 4.542 1.00 0.00 H new ATOM 1097 N PRO A 73 15.833 -2.585 6.725 1.00 0.00 N ATOM 1098 CA PRO A 73 16.078 -3.206 8.030 1.00 0.00 C ATOM 1099 C PRO A 73 14.835 -3.887 8.591 1.00 0.00 C ATOM 1100 O PRO A 73 13.873 -4.141 7.865 1.00 0.00 O ATOM 1101 CB PRO A 73 16.486 -2.025 8.914 1.00 0.00 C ATOM 1102 CG PRO A 73 15.854 -0.837 8.275 1.00 0.00 C ATOM 1103 CD PRO A 73 15.854 -1.114 6.797 1.00 0.00 C ATOM 0 HA PRO A 73 16.830 -3.993 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.136 -2.157 9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.570 -1.920 8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.839 -0.689 8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.412 0.071 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.985 -0.675 6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.738 -0.701 6.311 1.00 0.00 H new ATOM 1111 N VAL A 74 14.860 -4.180 9.887 1.00 0.00 N ATOM 1112 CA VAL A 74 13.733 -4.830 10.546 1.00 0.00 C ATOM 1113 C VAL A 74 12.970 -3.847 11.427 1.00 0.00 C ATOM 1114 O VAL A 74 11.874 -4.145 11.902 1.00 0.00 O ATOM 1115 CB VAL A 74 14.197 -6.020 11.406 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.991 -5.533 12.609 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.004 -6.855 11.848 1.00 0.00 C ATOM 0 H VAL A 74 15.648 -3.978 10.502 1.00 0.00 H new ATOM 0 HA VAL A 74 13.073 -5.195 9.759 1.00 0.00 H new ATOM 0 HB VAL A 74 14.849 -6.650 10.801 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.310 -6.388 13.205 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.867 -4.981 12.268 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.365 -4.880 13.218 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.350 -7.692 12.455 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.325 -6.237 12.436 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.481 -7.235 10.971 1.00 0.00 H new ATOM 1127 N ALA A 75 13.556 -2.674 11.641 1.00 0.00 N ATOM 1128 CA ALA A 75 12.930 -1.646 12.462 1.00 0.00 C ATOM 1129 C ALA A 75 12.480 -0.462 11.613 1.00 0.00 C ATOM 1130 O ALA A 75 11.491 0.200 11.926 1.00 0.00 O ATOM 1131 CB ALA A 75 13.888 -1.183 13.550 1.00 0.00 C ATOM 0 H ALA A 75 14.464 -2.412 11.257 1.00 0.00 H new ATOM 0 HA ALA A 75 12.047 -2.080 12.931 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.407 -0.415 14.156 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.156 -2.029 14.183 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.788 -0.773 13.092 1.00 0.00 H new ATOM 1137 N HIS A 76 13.214 -0.200 10.535 1.00 0.00 N ATOM 1138 CA HIS A 76 12.890 0.905 9.640 1.00 0.00 C ATOM 1139 C HIS A 76 12.829 0.430 8.191 1.00 0.00 C ATOM 1140 O HIS A 76 13.420 1.028 7.291 1.00 0.00 O ATOM 1141 CB HIS A 76 13.924 2.022 9.780 1.00 0.00 C ATOM 1142 CG HIS A 76 14.211 2.398 11.201 1.00 0.00 C ATOM 1143 ND1 HIS A 76 13.431 3.281 11.917 1.00 0.00 N ATOM 1144 CD2 HIS A 76 15.198 2.005 12.039 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.927 3.416 13.134 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.999 2.652 13.234 1.00 0.00 N ATOM 0 H HIS A 76 14.036 -0.738 10.261 1.00 0.00 H new ATOM 0 HA HIS A 76 11.910 1.291 9.919 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.852 1.709 9.301 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.570 2.903 9.244 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.994 1.312 11.811 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.524 4.044 13.914 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.584 2.558 14.064 1.00 0.00 H new ATOM 1154 N PRO A 77 12.099 -0.671 7.959 1.00 0.00 N ATOM 1155 CA PRO A 77 11.945 -1.250 6.621 1.00 0.00 C ATOM 1156 C PRO A 77 11.096 -0.376 5.705 1.00 0.00 C ATOM 1157 O PRO A 77 10.559 0.648 6.130 1.00 0.00 O ATOM 1158 CB PRO A 77 11.241 -2.583 6.891 1.00 0.00 C ATOM 1159 CG PRO A 77 10.517 -2.376 8.176 1.00 0.00 C ATOM 1160 CD PRO A 77 11.369 -1.435 8.984 1.00 0.00 C ATOM 0 HA PRO A 77 12.902 -1.353 6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.552 -2.837 6.085 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.958 -3.401 6.968 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.527 -1.955 8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.374 -3.321 8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.763 -0.784 9.614 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.049 -1.974 9.644 1.00 0.00 H new ATOM 1168 N PHE A 78 10.977 -0.785 4.446 1.00 0.00 N ATOM 1169 CA PHE A 78 10.193 -0.038 3.470 1.00 0.00 C ATOM 1170 C PHE A 78 9.285 -0.970 2.673 1.00 0.00 C ATOM 1171 O PHE A 78 9.734 -1.986 2.141 1.00 0.00 O ATOM 1172 CB PHE A 78 11.117 0.727 2.520 1.00 0.00 C ATOM 1173 CG PHE A 78 12.256 1.416 3.217 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.381 0.706 3.602 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.200 2.774 3.488 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.431 1.336 4.243 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.247 3.410 4.129 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.363 2.690 4.508 1.00 0.00 C ATOM 0 H PHE A 78 11.414 -1.630 4.078 1.00 0.00 H new ATOM 0 HA PHE A 78 9.569 0.674 4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.519 0.034 1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.532 1.469 1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.439 -0.353 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.329 3.342 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.303 0.771 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.192 4.469 4.333 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.181 3.185 5.011 1.00 0.00 H new ATOM 1188 N TYR A 79 8.007 -0.617 2.596 1.00 0.00 N ATOM 1189 CA TYR A 79 7.035 -1.423 1.867 1.00 0.00 C ATOM 1190 C TYR A 79 6.748 -0.821 0.495 1.00 0.00 C ATOM 1191 O TYR A 79 6.622 0.395 0.351 1.00 0.00 O ATOM 1192 CB TYR A 79 5.736 -1.540 2.667 1.00 0.00 C ATOM 1193 CG TYR A 79 5.938 -2.037 4.080 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.347 -1.173 5.089 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.720 -3.369 4.407 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.533 -1.623 6.382 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.903 -3.828 5.698 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.310 -2.951 6.681 1.00 0.00 C ATOM 1199 OH TYR A 79 6.494 -3.402 7.968 1.00 0.00 O ATOM 0 H TYR A 79 7.620 0.221 3.029 1.00 0.00 H new ATOM 0 HA TYR A 79 7.458 -2.418 1.726 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.250 -0.565 2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.058 -2.216 2.146 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.522 -0.133 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.402 -4.058 3.639 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.851 -0.939 7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.728 -4.867 5.935 1.00 0.00 H new ATOM 0 HH TYR A 79 6.294 -4.360 8.011 1.00 0.00 H new ATOM 1209 N VAL A 80 6.644 -1.682 -0.512 1.00 0.00 N ATOM 1210 CA VAL A 80 6.370 -1.238 -1.874 1.00 0.00 C ATOM 1211 C VAL A 80 4.923 -1.520 -2.263 1.00 0.00 C ATOM 1212 O VAL A 80 4.304 -2.458 -1.758 1.00 0.00 O ATOM 1213 CB VAL A 80 7.306 -1.923 -2.887 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.132 -1.315 -4.270 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.753 -1.821 -2.429 1.00 0.00 C ATOM 0 H VAL A 80 6.745 -2.692 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 80 6.547 -0.163 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 80 7.041 -2.979 -2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.801 -1.811 -4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.101 -1.445 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.369 -0.252 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.400 -2.310 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.034 -0.771 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.863 -2.308 -1.460 1.00 0.00 H new ATOM 1225 N LEU A 81 4.389 -0.704 -3.165 1.00 0.00 N ATOM 1226 CA LEU A 81 3.014 -0.865 -3.623 1.00 0.00 C ATOM 1227 C LEU A 81 2.971 -1.192 -5.113 1.00 0.00 C ATOM 1228 O LEU A 81 3.734 -0.635 -5.902 1.00 0.00 O ATOM 1229 CB LEU A 81 2.210 0.406 -3.345 1.00 0.00 C ATOM 1230 CG LEU A 81 1.629 0.538 -1.937 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.589 1.647 -1.890 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.024 -0.782 -1.483 1.00 0.00 C ATOM 0 H LEU A 81 4.888 0.076 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 81 2.570 -1.695 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.852 1.267 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.390 0.457 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 81 2.438 0.797 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.187 1.726 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.053 2.593 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.219 1.418 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.616 -0.669 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.227 -1.072 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.795 -1.552 -1.476 1.00 0.00 H new ATOM 1244 N ARG A 82 2.074 -2.096 -5.490 1.00 0.00 N ATOM 1245 CA ARG A 82 1.931 -2.496 -6.885 1.00 0.00 C ATOM 1246 C ARG A 82 1.013 -1.535 -7.634 1.00 0.00 C ATOM 1247 O ARG A 82 -0.016 -1.107 -7.111 1.00 0.00 O ATOM 1248 CB ARG A 82 1.380 -3.920 -6.975 1.00 0.00 C ATOM 1249 CG ARG A 82 1.840 -4.673 -8.213 1.00 0.00 C ATOM 1250 CD ARG A 82 1.379 -6.122 -8.187 1.00 0.00 C ATOM 1251 NE ARG A 82 1.855 -6.827 -7.000 1.00 0.00 N ATOM 1252 CZ ARG A 82 1.707 -8.134 -6.812 1.00 0.00 C ATOM 1253 NH1 ARG A 82 1.098 -8.874 -7.729 1.00 0.00 N ATOM 1254 NH2 ARG A 82 2.167 -8.703 -5.706 1.00 0.00 N ATOM 0 H ARG A 82 1.435 -2.566 -4.849 1.00 0.00 H new ATOM 0 HA ARG A 82 2.917 -2.465 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.685 -4.475 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.291 -3.880 -6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.450 -4.182 -9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.927 -4.637 -8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.290 -6.156 -8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.738 -6.633 -9.080 1.00 0.00 H new ATOM 0 HE ARG A 82 2.327 -6.286 -6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.742 -8.440 -8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.986 -9.877 -7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.635 -8.137 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.053 -9.706 -5.563 1.00 0.00 H new ATOM 1268 N PHE A 83 1.392 -1.200 -8.863 1.00 0.00 N ATOM 1269 CA PHE A 83 0.604 -0.289 -9.685 1.00 0.00 C ATOM 1270 C PHE A 83 0.936 -0.465 -11.164 1.00 0.00 C ATOM 1271 O PHE A 83 2.103 -0.544 -11.544 1.00 0.00 O ATOM 1272 CB PHE A 83 0.856 1.160 -9.263 1.00 0.00 C ATOM 1273 CG PHE A 83 0.217 1.523 -7.953 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.163 1.540 -7.822 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.995 1.848 -6.854 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.755 1.874 -6.618 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.408 2.182 -5.648 1.00 0.00 C ATOM 1278 CZ PHE A 83 -0.968 2.196 -5.530 1.00 0.00 C ATOM 0 H PHE A 83 2.240 -1.546 -9.312 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.450 -0.525 -9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.931 1.328 -9.193 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.479 1.827 -10.039 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.783 1.289 -8.670 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.072 1.840 -6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.831 1.883 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.025 2.432 -4.798 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.428 2.458 -4.589 1.00 0.00 H new ATOM 1288 N ASN A 84 -0.101 -0.527 -11.993 1.00 0.00 N ATOM 1289 CA ASN A 84 0.079 -0.695 -13.431 1.00 0.00 C ATOM 1290 C ASN A 84 1.126 0.278 -13.965 1.00 0.00 C ATOM 1291 O ASN A 84 2.037 -0.114 -14.695 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.249 -0.483 -14.160 1.00 0.00 C ATOM 1293 CG ASN A 84 -2.340 -1.407 -13.655 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -3.477 -0.986 -13.443 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -1.997 -2.675 -13.460 1.00 0.00 N ATOM 0 H ASN A 84 -1.074 -0.464 -11.694 1.00 0.00 H new ATOM 0 HA ASN A 84 0.427 -1.712 -13.612 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.567 0.552 -14.036 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.104 -0.646 -15.228 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.688 -3.344 -13.121 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.042 -2.980 -13.649 1.00 0.00 H new ATOM 1302 N SER A 85 0.991 1.547 -13.595 1.00 0.00 N ATOM 1303 CA SER A 85 1.923 2.577 -14.039 1.00 0.00 C ATOM 1304 C SER A 85 1.831 3.813 -13.150 1.00 0.00 C ATOM 1305 O SER A 85 1.073 3.839 -12.180 1.00 0.00 O ATOM 1306 CB SER A 85 1.640 2.958 -15.493 1.00 0.00 C ATOM 1307 OG SER A 85 2.749 3.625 -16.071 1.00 0.00 O ATOM 0 H SER A 85 0.245 1.887 -12.988 1.00 0.00 H new ATOM 0 HA SER A 85 2.933 2.174 -13.967 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.410 2.062 -16.069 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.761 3.601 -15.539 1.00 0.00 H new ATOM 0 HG SER A 85 2.543 3.856 -17.001 1.00 0.00 H new ATOM 1313 N SER A 86 2.607 4.837 -13.489 1.00 0.00 N ATOM 1314 CA SER A 86 2.617 6.076 -12.721 1.00 0.00 C ATOM 1315 C SER A 86 1.200 6.608 -12.529 1.00 0.00 C ATOM 1316 O SER A 86 0.794 6.937 -11.414 1.00 0.00 O ATOM 1317 CB SER A 86 3.478 7.129 -13.421 1.00 0.00 C ATOM 1318 OG SER A 86 3.281 7.098 -14.824 1.00 0.00 O ATOM 0 H SER A 86 3.237 4.833 -14.291 1.00 0.00 H new ATOM 0 HA SER A 86 3.043 5.862 -11.741 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.231 8.119 -13.038 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.530 6.953 -13.194 1.00 0.00 H new ATOM 0 HG SER A 86 3.841 7.781 -15.248 1.00 0.00 H new ATOM 1324 N ASP A 87 0.452 6.689 -13.624 1.00 0.00 N ATOM 1325 CA ASP A 87 -0.920 7.180 -13.578 1.00 0.00 C ATOM 1326 C ASP A 87 -1.703 6.501 -12.459 1.00 0.00 C ATOM 1327 O ASP A 87 -2.264 7.166 -11.587 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.614 6.942 -14.920 1.00 0.00 C ATOM 1329 CG ASP A 87 -3.116 6.786 -14.776 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -3.553 5.787 -14.167 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -3.853 7.664 -15.271 1.00 0.00 O ATOM 0 H ASP A 87 0.773 6.421 -14.554 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.890 8.251 -13.378 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.401 7.776 -15.589 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.202 6.047 -15.385 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.738 5.172 -12.490 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.452 4.402 -11.478 1.00 0.00 C ATOM 1338 C HIS A 88 -2.280 5.028 -10.097 1.00 0.00 C ATOM 1339 O HIS A 88 -3.190 4.985 -9.268 1.00 0.00 O ATOM 1340 CB HIS A 88 -1.955 2.957 -11.460 1.00 0.00 C ATOM 1341 CG HIS A 88 -2.989 1.973 -11.008 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -3.095 0.700 -11.527 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -3.966 2.080 -10.077 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.094 0.067 -10.937 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.639 0.883 -10.052 1.00 0.00 N ATOM 0 H HIS A 88 -1.280 4.607 -13.205 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.512 4.410 -11.733 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.619 2.685 -12.461 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.088 2.888 -10.803 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.177 2.946 -9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.411 -0.945 -11.143 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.431 0.660 -9.449 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.109 5.609 -9.858 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.820 6.244 -8.578 1.00 0.00 C ATOM 1355 C ILE A 89 -1.489 7.610 -8.478 1.00 0.00 C ATOM 1356 O ILE A 89 -2.268 7.864 -7.561 1.00 0.00 O ATOM 1357 CB ILE A 89 0.696 6.410 -8.363 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.359 5.044 -8.169 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.966 7.310 -7.166 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.721 4.359 -9.468 1.00 0.00 C ATOM 0 H ILE A 89 -0.346 5.653 -10.533 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.220 5.590 -7.803 1.00 0.00 H new ATOM 0 HB ILE A 89 1.124 6.878 -9.249 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.261 5.169 -7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.686 4.400 -7.603 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.042 7.418 -7.027 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.523 8.290 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.527 6.868 -6.272 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.186 3.397 -9.255 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.819 4.203 -10.060 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.418 4.983 -10.027 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.179 8.486 -9.430 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.752 9.826 -9.449 1.00 0.00 C ATOM 1374 C GLU A 90 -3.233 9.791 -9.080 1.00 0.00 C ATOM 1375 O GLU A 90 -3.706 10.606 -8.289 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.574 10.462 -10.829 1.00 0.00 C ATOM 1377 CG GLU A 90 -0.233 11.152 -11.013 1.00 0.00 C ATOM 1378 CD GLU A 90 -0.261 12.199 -12.109 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -1.169 12.137 -12.965 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.624 13.080 -12.111 1.00 0.00 O ATOM 0 H GLU A 90 -0.535 8.291 -10.197 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.225 10.428 -8.709 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.684 9.691 -11.592 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.371 11.187 -10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.061 11.622 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.526 10.406 -11.248 1.00 0.00 H new ATOM 1387 N SER A 91 -3.958 8.840 -9.661 1.00 0.00 N ATOM 1388 CA SER A 91 -5.386 8.700 -9.398 1.00 0.00 C ATOM 1389 C SER A 91 -5.641 8.414 -7.921 1.00 0.00 C ATOM 1390 O SER A 91 -6.347 9.161 -7.244 1.00 0.00 O ATOM 1391 CB SER A 91 -5.976 7.580 -10.256 1.00 0.00 C ATOM 1392 OG SER A 91 -7.351 7.807 -10.516 1.00 0.00 O ATOM 0 H SER A 91 -3.580 8.156 -10.316 1.00 0.00 H new ATOM 0 HA SER A 91 -5.872 9.641 -9.657 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.431 7.513 -11.198 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.852 6.624 -9.747 1.00 0.00 H new ATOM 0 HG SER A 91 -7.704 7.078 -11.068 1.00 0.00 H new ATOM 1398 N LYS A 92 -5.060 7.325 -7.428 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.222 6.938 -6.031 1.00 0.00 C ATOM 1400 C LYS A 92 -4.975 8.125 -5.106 1.00 0.00 C ATOM 1401 O LYS A 92 -5.523 8.191 -4.006 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.263 5.797 -5.683 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.391 4.593 -6.600 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.492 3.654 -6.137 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.602 2.436 -7.040 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.472 2.697 -8.221 1.00 0.00 N ATOM 0 H LYS A 92 -4.473 6.695 -7.975 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.248 6.598 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.239 6.168 -5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.445 5.482 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.601 4.929 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.443 4.056 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.292 3.333 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.443 4.186 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.608 2.144 -7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.004 1.597 -6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.715 1.796 -8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.343 3.174 -7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.966 3.304 -8.897 1.00 0.00 H new ATOM 1420 N GLY A 93 -4.146 9.061 -5.559 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.843 10.233 -4.759 1.00 0.00 C ATOM 1422 C GLY A 93 -2.593 10.055 -3.919 1.00 0.00 C ATOM 1423 O GLY A 93 -2.266 10.907 -3.093 1.00 0.00 O ATOM 0 H GLY A 93 -3.679 9.028 -6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.716 11.094 -5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.688 10.451 -4.106 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.895 8.944 -4.130 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.675 8.657 -3.386 1.00 0.00 C ATOM 1429 C ILE A 94 0.493 9.492 -3.901 1.00 0.00 C ATOM 1430 O ILE A 94 0.623 9.723 -5.103 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.301 7.165 -3.471 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.524 6.294 -3.176 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.829 6.846 -2.504 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.458 4.924 -3.815 1.00 0.00 C ATOM 0 H ILE A 94 -2.153 8.229 -4.810 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.872 8.915 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 94 0.042 6.948 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.626 6.178 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.419 6.807 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.082 5.788 -2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.704 7.446 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.513 7.075 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.357 4.362 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.387 5.030 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.582 4.392 -3.445 1.00 0.00 H new ATOM 1446 N LYS A 95 1.341 9.942 -2.983 1.00 0.00 N ATOM 1447 CA LYS A 95 2.501 10.749 -3.342 1.00 0.00 C ATOM 1448 C LYS A 95 3.439 10.915 -2.151 1.00 0.00 C ATOM 1449 O LYS A 95 3.143 10.455 -1.048 1.00 0.00 O ATOM 1450 CB LYS A 95 2.055 12.123 -3.849 1.00 0.00 C ATOM 1451 CG LYS A 95 0.952 12.750 -3.015 1.00 0.00 C ATOM 1452 CD LYS A 95 1.474 13.233 -1.672 1.00 0.00 C ATOM 1453 CE LYS A 95 0.384 13.924 -0.866 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.945 14.700 0.274 1.00 0.00 N ATOM 0 H LYS A 95 1.247 9.761 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 95 3.040 10.232 -4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.915 12.793 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.710 12.027 -4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.515 13.587 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.156 12.022 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.865 12.387 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.304 13.922 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.181 14.592 -1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.316 13.179 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.171 15.156 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.463 14.059 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.594 15.428 -0.087 1.00 0.00 H new ATOM 1468 N ILE A 96 4.569 11.575 -2.381 1.00 0.00 N ATOM 1469 CA ILE A 96 5.549 11.803 -1.326 1.00 0.00 C ATOM 1470 C ILE A 96 4.926 12.546 -0.149 1.00 0.00 C ATOM 1471 O ILE A 96 4.093 13.435 -0.332 1.00 0.00 O ATOM 1472 CB ILE A 96 6.758 12.604 -1.843 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.393 11.895 -3.041 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.780 12.797 -0.733 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.156 10.643 -2.667 1.00 0.00 C ATOM 0 H ILE A 96 4.829 11.961 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 96 5.890 10.822 -0.995 1.00 0.00 H new ATOM 0 HB ILE A 96 6.412 13.586 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.612 11.635 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.069 12.586 -3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.629 13.365 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.322 13.340 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.123 11.824 -0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.579 10.193 -3.565 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.960 10.899 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.480 9.934 -2.190 1.00 0.00 H new ATOM 1487 N LYS A 97 5.336 12.179 1.060 1.00 0.00 N ATOM 1488 CA LYS A 97 4.822 12.813 2.268 1.00 0.00 C ATOM 1489 C LYS A 97 3.368 12.419 2.513 1.00 0.00 C ATOM 1490 O LYS A 97 2.575 13.218 3.008 1.00 0.00 O ATOM 1491 CB LYS A 97 4.938 14.335 2.159 1.00 0.00 C ATOM 1492 CG LYS A 97 6.297 14.808 1.675 1.00 0.00 C ATOM 1493 CD LYS A 97 7.294 14.904 2.818 1.00 0.00 C ATOM 1494 CE LYS A 97 8.727 14.914 2.308 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.688 15.340 3.363 1.00 0.00 N ATOM 0 H LYS A 97 6.024 11.445 1.229 1.00 0.00 H new ATOM 0 HA LYS A 97 5.420 12.469 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.171 14.702 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.735 14.777 3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.675 14.120 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.195 15.782 1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.105 15.811 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.154 14.062 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.994 13.918 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.804 15.587 1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.653 15.334 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.449 16.300 3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.633 14.684 4.168 1.00 0.00 H new ATOM 1509 N GLU A 98 3.028 11.183 2.163 1.00 0.00 N ATOM 1510 CA GLU A 98 1.670 10.684 2.345 1.00 0.00 C ATOM 1511 C GLU A 98 1.648 9.511 3.321 1.00 0.00 C ATOM 1512 O GLU A 98 2.141 8.424 3.015 1.00 0.00 O ATOM 1513 CB GLU A 98 1.075 10.257 1.002 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.434 10.077 1.034 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.845 8.669 1.420 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.710 7.760 0.575 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.303 8.477 2.566 1.00 0.00 O ATOM 0 H GLU A 98 3.674 10.509 1.752 1.00 0.00 H new ATOM 0 HA GLU A 98 1.066 11.491 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.327 11.003 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.538 9.320 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.866 10.785 1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.846 10.316 0.053 1.00 0.00 H new ATOM 1524 N THR A 99 1.072 9.738 4.498 1.00 0.00 N ATOM 1525 CA THR A 99 0.986 8.702 5.519 1.00 0.00 C ATOM 1526 C THR A 99 -0.088 7.677 5.174 1.00 0.00 C ATOM 1527 O THR A 99 -1.243 8.031 4.939 1.00 0.00 O ATOM 1528 CB THR A 99 0.682 9.302 6.904 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.548 10.413 7.158 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.854 8.258 7.997 1.00 0.00 C ATOM 0 H THR A 99 0.658 10.631 4.767 1.00 0.00 H new ATOM 0 HA THR A 99 1.957 8.209 5.551 1.00 0.00 H new ATOM 0 HB THR A 99 -0.354 9.641 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.347 10.790 8.040 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.634 8.706 8.966 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.171 7.427 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.881 7.891 7.992 1.00 0.00 H new ATOM 1538 N MET A 100 0.299 6.406 5.147 1.00 0.00 N ATOM 1539 CA MET A 100 -0.633 5.330 4.832 1.00 0.00 C ATOM 1540 C MET A 100 -0.991 4.537 6.085 1.00 0.00 C ATOM 1541 O MET A 100 -0.418 4.755 7.153 1.00 0.00 O ATOM 1542 CB MET A 100 -0.033 4.398 3.778 1.00 0.00 C ATOM 1543 CG MET A 100 0.356 5.106 2.491 1.00 0.00 C ATOM 1544 SD MET A 100 0.231 4.037 1.044 1.00 0.00 S ATOM 1545 CE MET A 100 -1.311 4.608 0.334 1.00 0.00 C ATOM 0 H MET A 100 1.252 6.096 5.339 1.00 0.00 H new ATOM 0 HA MET A 100 -1.544 5.777 4.434 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.848 3.911 4.195 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.753 3.613 3.548 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.286 5.976 2.351 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.378 5.474 2.578 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.334 4.366 -0.729 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.146 4.118 0.836 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.393 5.687 0.462 1.00 0.00 H new ATOM 1555 N TYR A 101 -1.939 3.618 5.947 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.375 2.794 7.069 1.00 0.00 C ATOM 1557 C TYR A 101 -2.789 1.404 6.596 1.00 0.00 C ATOM 1558 O TYR A 101 -2.896 1.150 5.396 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.539 3.465 7.799 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.333 4.944 8.038 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.365 5.848 6.984 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.106 5.436 9.317 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.177 7.200 7.196 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.918 6.787 9.539 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.954 7.665 8.476 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.766 9.010 8.693 1.00 0.00 O ATOM 0 H TYR A 101 -2.421 3.424 5.069 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.536 2.688 7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.451 3.323 7.219 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.690 2.968 8.757 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.540 5.488 5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.076 4.751 10.152 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.204 7.889 6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.744 7.153 10.540 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.623 9.170 9.649 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.023 0.508 7.549 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.426 -0.858 7.231 1.00 0.00 C ATOM 1578 C PHE A 102 -4.566 -1.313 8.137 1.00 0.00 C ATOM 1579 O PHE A 102 -4.922 -0.629 9.096 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.236 -1.809 7.373 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.471 -1.625 8.652 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.103 -1.756 9.878 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.119 -1.323 8.629 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.402 -1.586 11.057 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.588 -1.153 9.805 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.054 -1.285 11.020 1.00 0.00 C ATOM 0 H PHE A 102 -2.941 0.702 8.547 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.776 -0.877 6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.594 -2.837 7.318 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.560 -1.661 6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.156 -1.994 9.913 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.389 -1.219 7.681 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.907 -1.688 12.006 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.641 -0.917 9.773 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.496 -1.153 11.940 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.136 -2.472 7.825 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.235 -3.020 8.610 1.00 0.00 C ATOM 1598 C ALA A 103 -5.916 -4.432 9.090 1.00 0.00 C ATOM 1599 O ALA A 103 -6.811 -5.179 9.486 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.520 -3.014 7.796 1.00 0.00 C ATOM 0 H ALA A 103 -4.854 -3.050 7.033 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.372 -2.389 9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.332 -3.426 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.764 -1.991 7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.386 -3.620 6.900 1.00 0.00 H new