USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 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 :FLIP amide:sc= -6.71! C(o=-12!,f=-9.7!) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -3.03! C(o=-9.7!,f=-14!) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -107:sc= -1.43 (180deg=-3.14!) USER MOD Set 2.2: A 62 GLN : amide:sc= -0.0708 X(o=-1.5,f=-1.3) USER MOD Set 3.1: A 30 MET CE :methyl -165:sc=-0.00166 (180deg=-0.125) USER MOD Set 3.2: A 44 MET CE :methyl 150:sc= -0.857 (180deg=-0.93) USER MOD Single : A 16 THR OG1 : rot 44:sc= 0.818 USER MOD Single : A 26 LYS NZ :NH3+ -126:sc= 0.0117 (180deg=-0.503) USER MOD Single : A 32 SER OG : rot 110:sc= 0.218 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.3!) USER MOD Single : A 43 SER OG : rot -90:sc= 0.031 USER MOD Single : A 45 THR OG1 : rot -100:sc= -0.265 USER MOD Single : A 46 ASN : amide:sc= -1.03! C(o=-1!,f=-1!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.324 F(o=-1.2,f=-0.32) USER MOD Single : A 54 THR OG1 : rot 65:sc= -1.16 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.038 X(o=-0.038,f=-0.038) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 85 SER OG : rot 34:sc= 0.588 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 142:sc= 0.0529 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -171:sc= 0.0893 (180deg=0.0745) 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 -159:sc= -1.82 (180deg=-3.39!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -10.200 -2.052 -5.084 1.00 0.00 N ATOM 191 CA THR A 16 -11.017 -0.991 -4.507 1.00 0.00 C ATOM 192 C THR A 16 -11.828 -1.504 -3.323 1.00 0.00 C ATOM 193 O THR A 16 -12.903 -2.078 -3.497 1.00 0.00 O ATOM 194 CB THR A 16 -11.977 -0.392 -5.552 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.813 -1.420 -6.096 1.00 0.00 O ATOM 196 CG2 THR A 16 -11.204 0.286 -6.672 1.00 0.00 C ATOM 0 HA THR A 16 -10.333 -0.214 -4.165 1.00 0.00 H new ATOM 0 HB THR A 16 -12.597 0.355 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 16 -13.141 -1.992 -5.371 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.904 0.701 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.592 1.088 -6.258 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.561 -0.444 -7.164 1.00 0.00 H new ATOM 204 N ILE A 17 -11.306 -1.292 -2.119 1.00 0.00 N ATOM 205 CA ILE A 17 -11.984 -1.732 -0.906 1.00 0.00 C ATOM 206 C ILE A 17 -12.043 -0.612 0.127 1.00 0.00 C ATOM 207 O ILE A 17 -11.013 -0.068 0.527 1.00 0.00 O ATOM 208 CB ILE A 17 -11.285 -2.955 -0.282 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.284 -4.126 -1.267 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.969 -3.349 1.018 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.228 -5.167 -0.966 1.00 0.00 C ATOM 0 H ILE A 17 -10.417 -0.819 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.997 -2.011 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.251 -2.691 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.265 -4.601 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.128 -3.742 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.464 -4.214 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.923 -2.517 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.011 -3.599 0.820 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.285 -5.967 -1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.241 -4.706 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.396 -5.578 0.029 1.00 0.00 H new ATOM 223 N ILE A 18 -13.254 -0.274 0.558 1.00 0.00 N ATOM 224 CA ILE A 18 -13.447 0.779 1.547 1.00 0.00 C ATOM 225 C ILE A 18 -13.590 0.196 2.949 1.00 0.00 C ATOM 226 O ILE A 18 -14.337 -0.759 3.163 1.00 0.00 O ATOM 227 CB ILE A 18 -14.690 1.630 1.228 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.553 2.274 -0.154 1.00 0.00 C ATOM 229 CG2 ILE A 18 -14.891 2.694 2.296 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.376 3.217 -0.267 1.00 0.00 C ATOM 0 H ILE A 18 -14.116 -0.715 0.237 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.562 1.415 1.508 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.565 0.980 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.452 1.489 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.468 2.819 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.773 3.288 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.028 2.215 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.016 3.343 2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.341 3.636 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.485 4.023 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.453 2.672 -0.069 1.00 0.00 H new ATOM 242 N LEU A 19 -12.870 0.778 3.901 1.00 0.00 N ATOM 243 CA LEU A 19 -12.917 0.319 5.285 1.00 0.00 C ATOM 244 C LEU A 19 -13.940 1.115 6.089 1.00 0.00 C ATOM 245 O LEU A 19 -14.030 2.339 5.987 1.00 0.00 O ATOM 246 CB LEU A 19 -11.536 0.442 5.932 1.00 0.00 C ATOM 247 CG LEU A 19 -11.215 -0.574 7.029 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.254 -1.989 6.473 1.00 0.00 C ATOM 249 CD2 LEU A 19 -9.857 -0.279 7.648 1.00 0.00 C ATOM 0 H LEU A 19 -12.246 1.569 3.740 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.219 -0.728 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.782 0.353 5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.442 1.443 6.353 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.973 -0.491 7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.023 -2.699 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.248 -2.197 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.519 -2.087 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.645 -1.012 8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.087 -0.334 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.865 0.720 8.083 1.00 0.00 H new ATOM 261 N PRO A 20 -14.731 0.406 6.908 1.00 0.00 N ATOM 262 CA PRO A 20 -15.760 1.026 7.748 1.00 0.00 C ATOM 263 C PRO A 20 -15.163 1.855 8.880 1.00 0.00 C ATOM 264 O PRO A 20 -13.944 1.980 8.993 1.00 0.00 O ATOM 265 CB PRO A 20 -16.529 -0.172 8.310 1.00 0.00 C ATOM 266 CG PRO A 20 -15.552 -1.297 8.280 1.00 0.00 C ATOM 267 CD PRO A 20 -14.679 -1.056 7.080 1.00 0.00 C ATOM 0 HA PRO A 20 -16.381 1.722 7.184 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -16.878 0.022 9.324 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.409 -0.396 7.707 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.959 -1.324 9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.064 -2.256 8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.660 -1.405 7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.054 -1.578 6.199 1.00 0.00 H new ATOM 275 N GLU A 21 -16.030 2.418 9.715 1.00 0.00 N ATOM 276 CA GLU A 21 -15.587 3.236 10.839 1.00 0.00 C ATOM 277 C GLU A 21 -15.431 2.390 12.099 1.00 0.00 C ATOM 278 O GLU A 21 -15.436 2.911 13.214 1.00 0.00 O ATOM 279 CB GLU A 21 -16.578 4.373 11.094 1.00 0.00 C ATOM 280 CG GLU A 21 -17.978 3.894 11.438 1.00 0.00 C ATOM 281 CD GLU A 21 -18.892 5.024 11.871 1.00 0.00 C ATOM 282 OE1 GLU A 21 -18.560 5.711 12.859 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.939 5.221 11.220 1.00 0.00 O ATOM 0 H GLU A 21 -17.042 2.323 9.635 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.616 3.661 10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.205 4.993 11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.627 5.006 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.410 3.394 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.919 3.154 12.236 1.00 0.00 H new ATOM 290 N ASP A 22 -15.295 1.081 11.913 1.00 0.00 N ATOM 291 CA ASP A 22 -15.137 0.162 13.034 1.00 0.00 C ATOM 292 C ASP A 22 -13.709 -0.370 13.104 1.00 0.00 C ATOM 293 O ASP A 22 -13.318 -0.997 14.089 1.00 0.00 O ATOM 294 CB ASP A 22 -16.122 -1.002 12.909 1.00 0.00 C ATOM 295 CG ASP A 22 -17.451 -0.709 13.577 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.501 -0.712 14.825 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.442 -0.478 12.852 1.00 0.00 O ATOM 0 H ASP A 22 -15.291 0.633 10.997 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.347 0.709 13.953 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.289 -1.221 11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.684 -1.895 13.355 1.00 0.00 H new ATOM 302 N ILE A 23 -12.936 -0.116 12.054 1.00 0.00 N ATOM 303 CA ILE A 23 -11.552 -0.569 11.997 1.00 0.00 C ATOM 304 C ILE A 23 -10.590 0.555 12.366 1.00 0.00 C ATOM 305 O ILE A 23 -10.847 1.724 12.078 1.00 0.00 O ATOM 306 CB ILE A 23 -11.190 -1.100 10.597 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.435 -1.652 9.900 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.114 -2.170 10.699 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.261 -2.569 10.775 1.00 0.00 C ATOM 0 H ILE A 23 -13.245 0.401 11.231 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.456 -1.379 12.720 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.799 -0.275 10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.057 -0.819 9.572 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.130 -2.194 9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.869 -2.536 9.702 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.222 -1.746 11.160 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.479 -2.996 11.309 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.127 -2.923 10.216 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.655 -3.421 11.083 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.596 -2.025 11.658 1.00 0.00 H new ATOM 321 N GLU A 24 -9.482 0.193 13.004 1.00 0.00 N ATOM 322 CA GLU A 24 -8.481 1.171 13.412 1.00 0.00 C ATOM 323 C GLU A 24 -7.300 1.177 12.445 1.00 0.00 C ATOM 324 O GLU A 24 -6.510 0.233 12.407 1.00 0.00 O ATOM 325 CB GLU A 24 -7.991 0.872 14.831 1.00 0.00 C ATOM 326 CG GLU A 24 -6.702 1.591 15.194 1.00 0.00 C ATOM 327 CD GLU A 24 -6.494 1.694 16.692 1.00 0.00 C ATOM 328 OE1 GLU A 24 -7.302 2.374 17.358 1.00 0.00 O ATOM 329 OE2 GLU A 24 -5.523 1.094 17.199 1.00 0.00 O ATOM 0 H GLU A 24 -9.255 -0.771 13.250 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.946 2.157 13.396 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.768 1.155 15.542 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.840 -0.202 14.935 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.858 1.063 14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.715 2.592 14.763 1.00 0.00 H new ATOM 336 N LEU A 25 -7.188 2.246 11.665 1.00 0.00 N ATOM 337 CA LEU A 25 -6.104 2.376 10.697 1.00 0.00 C ATOM 338 C LEU A 25 -4.832 2.884 11.368 1.00 0.00 C ATOM 339 O LEU A 25 -4.732 4.057 11.728 1.00 0.00 O ATOM 340 CB LEU A 25 -6.513 3.325 9.569 1.00 0.00 C ATOM 341 CG LEU A 25 -7.515 2.771 8.555 1.00 0.00 C ATOM 342 CD1 LEU A 25 -7.855 3.823 7.511 1.00 0.00 C ATOM 343 CD2 LEU A 25 -6.964 1.517 7.892 1.00 0.00 C ATOM 0 H LEU A 25 -7.834 3.035 11.684 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.903 1.390 10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.937 4.225 10.014 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.614 3.628 9.033 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.430 2.506 9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.569 3.411 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.292 4.693 8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.948 4.120 6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.690 1.136 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.034 1.757 7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.772 0.758 8.651 1.00 0.00 H new ATOM 355 N LYS A 26 -3.860 1.993 11.532 1.00 0.00 N ATOM 356 CA LYS A 26 -2.592 2.350 12.156 1.00 0.00 C ATOM 357 C LYS A 26 -1.623 2.927 11.129 1.00 0.00 C ATOM 358 O LYS A 26 -1.542 2.467 9.990 1.00 0.00 O ATOM 359 CB LYS A 26 -1.969 1.126 12.830 1.00 0.00 C ATOM 360 CG LYS A 26 -2.676 0.708 14.107 1.00 0.00 C ATOM 361 CD LYS A 26 -2.565 -0.789 14.343 1.00 0.00 C ATOM 362 CE LYS A 26 -3.681 -1.548 13.641 1.00 0.00 C ATOM 363 NZ LYS A 26 -4.883 -1.693 14.508 1.00 0.00 N ATOM 0 H LYS A 26 -3.927 1.018 11.241 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.789 3.111 12.911 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.980 0.291 12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.924 1.339 13.056 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.246 1.243 14.954 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.727 0.991 14.051 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.599 -1.145 13.983 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.602 -0.993 15.413 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.955 -1.025 12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.322 -2.535 13.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.146 -2.697 14.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.671 -1.329 15.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.673 -1.154 14.099 1.00 0.00 H new ATOM 377 N PRO A 27 -0.868 3.957 11.539 1.00 0.00 N ATOM 378 CA PRO A 27 0.111 4.616 10.670 1.00 0.00 C ATOM 379 C PRO A 27 1.313 3.727 10.371 1.00 0.00 C ATOM 380 O PRO A 27 2.332 3.791 11.060 1.00 0.00 O ATOM 381 CB PRO A 27 0.540 5.840 11.483 1.00 0.00 C ATOM 382 CG PRO A 27 0.292 5.458 12.902 1.00 0.00 C ATOM 383 CD PRO A 27 -0.911 4.556 12.884 1.00 0.00 C ATOM 0 HA PRO A 27 -0.310 4.861 9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.590 6.079 11.315 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.036 6.722 11.204 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.157 4.947 13.325 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.110 6.339 13.517 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.856 3.797 13.664 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.834 5.113 13.046 1.00 0.00 H new ATOM 391 N LEU A 28 1.189 2.899 9.340 1.00 0.00 N ATOM 392 CA LEU A 28 2.266 1.996 8.949 1.00 0.00 C ATOM 393 C LEU A 28 3.519 2.778 8.565 1.00 0.00 C ATOM 394 O LEU A 28 4.635 2.381 8.895 1.00 0.00 O ATOM 395 CB LEU A 28 1.822 1.117 7.779 1.00 0.00 C ATOM 396 CG LEU A 28 2.926 0.660 6.825 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.445 -0.499 5.967 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.387 1.817 5.951 1.00 0.00 C ATOM 0 H LEU A 28 0.353 2.834 8.759 1.00 0.00 H new ATOM 0 HA LEU A 28 2.503 1.361 9.803 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.329 0.232 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.075 1.664 7.203 1.00 0.00 H new ATOM 0 HG LEU A 28 3.774 0.318 7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.244 -0.810 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.164 -1.335 6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.581 -0.184 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.173 1.474 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.546 2.189 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.773 2.618 6.582 1.00 0.00 H new ATOM 410 N GLY A 29 3.324 3.893 7.868 1.00 0.00 N ATOM 411 CA GLY A 29 4.447 4.713 7.453 1.00 0.00 C ATOM 412 C GLY A 29 4.023 5.876 6.578 1.00 0.00 C ATOM 413 O GLY A 29 2.897 6.362 6.682 1.00 0.00 O ATOM 0 H GLY A 29 2.409 4.243 7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.960 5.095 8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.163 4.096 6.910 1.00 0.00 H new ATOM 417 N MET A 30 4.928 6.324 5.713 1.00 0.00 N ATOM 418 CA MET A 30 4.641 7.438 4.817 1.00 0.00 C ATOM 419 C MET A 30 5.472 7.338 3.542 1.00 0.00 C ATOM 420 O MET A 30 6.663 7.030 3.588 1.00 0.00 O ATOM 421 CB MET A 30 4.919 8.769 5.517 1.00 0.00 C ATOM 422 CG MET A 30 5.210 9.912 4.557 1.00 0.00 C ATOM 423 SD MET A 30 6.971 10.110 4.226 1.00 0.00 S ATOM 424 CE MET A 30 7.522 10.859 5.757 1.00 0.00 C ATOM 0 H MET A 30 5.865 5.933 5.614 1.00 0.00 H new ATOM 0 HA MET A 30 3.586 7.391 4.547 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.059 9.033 6.133 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.767 8.646 6.190 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.685 9.735 3.618 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.816 10.839 4.972 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.516 11.284 5.617 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.828 11.648 6.047 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.558 10.102 6.540 1.00 0.00 H new ATOM 434 N VAL A 31 4.836 7.598 2.404 1.00 0.00 N ATOM 435 CA VAL A 31 5.517 7.538 1.116 1.00 0.00 C ATOM 436 C VAL A 31 6.908 8.156 1.201 1.00 0.00 C ATOM 437 O VAL A 31 7.059 9.326 1.553 1.00 0.00 O ATOM 438 CB VAL A 31 4.712 8.261 0.020 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.495 8.296 -1.283 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.361 7.590 -0.178 1.00 0.00 C ATOM 0 H VAL A 31 3.850 7.852 2.348 1.00 0.00 H new ATOM 0 HA VAL A 31 5.606 6.484 0.854 1.00 0.00 H new ATOM 0 HB VAL A 31 4.539 9.289 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.910 8.811 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.435 8.825 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.702 7.277 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.805 8.114 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.510 6.552 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.798 7.623 0.755 1.00 0.00 H new ATOM 450 N SER A 32 7.924 7.362 0.875 1.00 0.00 N ATOM 451 CA SER A 32 9.304 7.830 0.917 1.00 0.00 C ATOM 452 C SER A 32 9.846 8.051 -0.492 1.00 0.00 C ATOM 453 O SER A 32 10.694 8.915 -0.715 1.00 0.00 O ATOM 454 CB SER A 32 10.183 6.824 1.662 1.00 0.00 C ATOM 455 OG SER A 32 11.265 7.473 2.308 1.00 0.00 O ATOM 0 H SER A 32 7.817 6.392 0.579 1.00 0.00 H new ATOM 0 HA SER A 32 9.323 8.782 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.584 6.288 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.566 6.082 0.961 1.00 0.00 H new ATOM 0 HG SER A 32 11.129 7.449 3.278 1.00 0.00 H new ATOM 461 N SER A 33 9.349 7.263 -1.441 1.00 0.00 N ATOM 462 CA SER A 33 9.786 7.368 -2.828 1.00 0.00 C ATOM 463 C SER A 33 8.785 6.698 -3.765 1.00 0.00 C ATOM 464 O SER A 33 7.841 6.045 -3.318 1.00 0.00 O ATOM 465 CB SER A 33 11.167 6.733 -3.000 1.00 0.00 C ATOM 466 OG SER A 33 11.900 7.378 -4.027 1.00 0.00 O ATOM 0 H SER A 33 8.644 6.545 -1.274 1.00 0.00 H new ATOM 0 HA SER A 33 9.846 8.426 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.718 6.794 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.057 5.675 -3.237 1.00 0.00 H new ATOM 0 HG SER A 33 12.780 6.955 -4.116 1.00 0.00 H new ATOM 472 N ILE A 34 8.998 6.865 -5.066 1.00 0.00 N ATOM 473 CA ILE A 34 8.117 6.276 -6.066 1.00 0.00 C ATOM 474 C ILE A 34 8.916 5.570 -7.155 1.00 0.00 C ATOM 475 O ILE A 34 9.808 6.159 -7.765 1.00 0.00 O ATOM 476 CB ILE A 34 7.213 7.340 -6.716 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.290 7.967 -5.668 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.399 6.726 -7.845 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.908 9.144 -4.946 1.00 0.00 C ATOM 0 H ILE A 34 9.773 7.404 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 34 7.493 5.548 -5.547 1.00 0.00 H new ATOM 0 HB ILE A 34 7.844 8.124 -7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.370 8.291 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.014 7.207 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.765 7.491 -8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.072 6.323 -8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.775 5.924 -7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.198 9.538 -4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.813 8.821 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.159 9.922 -5.667 1.00 0.00 H new ATOM 491 N ILE A 35 8.587 4.305 -7.396 1.00 0.00 N ATOM 492 CA ILE A 35 9.273 3.519 -8.414 1.00 0.00 C ATOM 493 C ILE A 35 8.636 3.721 -9.785 1.00 0.00 C ATOM 494 O ILE A 35 7.471 4.102 -9.889 1.00 0.00 O ATOM 495 CB ILE A 35 9.259 2.018 -8.071 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.014 1.765 -6.764 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.869 1.209 -9.206 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.776 0.387 -6.186 1.00 0.00 C ATOM 0 H ILE A 35 7.850 3.803 -6.900 1.00 0.00 H new ATOM 0 HA ILE A 35 10.305 3.868 -8.440 1.00 0.00 H new ATOM 0 HB ILE A 35 8.225 1.700 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.082 1.897 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.716 2.514 -6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.852 0.150 -8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.294 1.370 -10.118 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.899 1.527 -9.366 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.342 0.278 -5.261 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.714 0.258 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.101 -0.369 -6.901 1.00 0.00 H new ATOM 510 N GLU A 36 9.409 3.461 -10.835 1.00 0.00 N ATOM 511 CA GLU A 36 8.919 3.613 -12.200 1.00 0.00 C ATOM 512 C GLU A 36 7.433 3.275 -12.286 1.00 0.00 C ATOM 513 O GLU A 36 6.664 3.979 -12.939 1.00 0.00 O ATOM 514 CB GLU A 36 9.713 2.717 -13.153 1.00 0.00 C ATOM 515 CG GLU A 36 11.154 3.160 -13.346 1.00 0.00 C ATOM 516 CD GLU A 36 11.779 2.579 -14.599 1.00 0.00 C ATOM 517 OE1 GLU A 36 12.023 1.355 -14.629 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.025 3.350 -15.551 1.00 0.00 O ATOM 0 H GLU A 36 10.376 3.144 -10.767 1.00 0.00 H new ATOM 0 HA GLU A 36 9.055 4.654 -12.494 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.704 1.696 -12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.214 2.699 -14.122 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.192 4.248 -13.396 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.742 2.860 -12.478 1.00 0.00 H new ATOM 525 N GLN A 37 7.039 2.194 -11.621 1.00 0.00 N ATOM 526 CA GLN A 37 5.646 1.762 -11.624 1.00 0.00 C ATOM 527 C GLN A 37 5.132 1.576 -10.200 1.00 0.00 C ATOM 528 O GLN A 37 3.974 1.874 -9.903 1.00 0.00 O ATOM 529 CB GLN A 37 5.496 0.457 -12.407 1.00 0.00 C ATOM 530 CG GLN A 37 6.645 -0.516 -12.194 1.00 0.00 C ATOM 531 CD GLN A 37 7.841 -0.208 -13.073 1.00 0.00 C ATOM 532 OE1 GLN A 37 7.722 0.485 -14.084 1.00 0.00 O ATOM 533 NE2 GLN A 37 9.004 -0.723 -12.692 1.00 0.00 N ATOM 0 H GLN A 37 7.664 1.602 -11.074 1.00 0.00 H new ATOM 0 HA GLN A 37 5.052 2.537 -12.108 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.563 -0.026 -12.116 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.418 0.687 -13.470 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.951 -0.488 -11.148 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.300 -1.530 -12.398 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.058 -1.292 -11.847 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.844 -0.550 -13.244 1.00 0.00 H new ATOM 542 N LEU A 38 5.998 1.082 -9.323 1.00 0.00 N ATOM 543 CA LEU A 38 5.631 0.856 -7.929 1.00 0.00 C ATOM 544 C LEU A 38 5.900 2.099 -7.087 1.00 0.00 C ATOM 545 O LEU A 38 6.435 3.092 -7.580 1.00 0.00 O ATOM 546 CB LEU A 38 6.407 -0.335 -7.364 1.00 0.00 C ATOM 547 CG LEU A 38 6.402 -1.605 -8.216 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.136 -1.679 -9.056 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.637 -1.656 -9.104 1.00 0.00 C ATOM 0 H LEU A 38 6.960 0.830 -9.552 1.00 0.00 H new ATOM 0 HA LEU A 38 4.564 0.638 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.442 -0.029 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.997 -0.578 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 38 6.422 -2.467 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.150 -2.589 -9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.265 -1.689 -8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.085 -0.812 -9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.617 -2.566 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.647 -0.788 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.532 -1.650 -8.483 1.00 0.00 H new ATOM 561 N VAL A 39 5.529 2.035 -5.812 1.00 0.00 N ATOM 562 CA VAL A 39 5.733 3.154 -4.900 1.00 0.00 C ATOM 563 C VAL A 39 6.422 2.699 -3.618 1.00 0.00 C ATOM 564 O VAL A 39 6.079 1.660 -3.053 1.00 0.00 O ATOM 565 CB VAL A 39 4.399 3.835 -4.539 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.612 4.889 -3.463 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.761 4.446 -5.777 1.00 0.00 C ATOM 0 H VAL A 39 5.086 1.220 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 39 6.370 3.872 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 39 3.720 3.079 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.659 5.359 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.022 4.419 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.308 5.645 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.820 4.923 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.434 5.190 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.571 3.664 -6.512 1.00 0.00 H new ATOM 577 N ILE A 40 7.394 3.483 -3.165 1.00 0.00 N ATOM 578 CA ILE A 40 8.130 3.162 -1.948 1.00 0.00 C ATOM 579 C ILE A 40 7.528 3.869 -0.739 1.00 0.00 C ATOM 580 O ILE A 40 7.199 5.054 -0.800 1.00 0.00 O ATOM 581 CB ILE A 40 9.615 3.550 -2.070 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.207 2.990 -3.365 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.394 3.047 -0.864 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.342 1.484 -3.365 1.00 0.00 C ATOM 0 H ILE A 40 7.690 4.345 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 40 8.055 2.084 -1.809 1.00 0.00 H new ATOM 0 HB ILE A 40 9.690 4.637 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.577 3.290 -4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.189 3.435 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.442 3.329 -0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.985 3.490 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.314 1.961 -0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.768 1.157 -4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.996 1.177 -2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.360 1.031 -3.233 1.00 0.00 H new ATOM 596 N ILE A 41 7.389 3.135 0.360 1.00 0.00 N ATOM 597 CA ILE A 41 6.830 3.693 1.585 1.00 0.00 C ATOM 598 C ILE A 41 7.731 3.405 2.782 1.00 0.00 C ATOM 599 O ILE A 41 8.048 2.251 3.068 1.00 0.00 O ATOM 600 CB ILE A 41 5.424 3.132 1.869 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.486 3.431 0.697 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.870 3.718 3.159 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.359 2.432 0.556 1.00 0.00 C ATOM 0 H ILE A 41 7.656 2.153 0.427 1.00 0.00 H new ATOM 0 HA ILE A 41 6.760 4.771 1.437 1.00 0.00 H new ATOM 0 HB ILE A 41 5.497 2.051 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.064 4.428 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.065 3.447 -0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.876 3.312 3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.529 3.460 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.808 4.802 3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.734 2.706 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.773 1.436 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.756 2.433 1.464 1.00 0.00 H new ATOM 615 N GLU A 42 8.137 4.462 3.478 1.00 0.00 N ATOM 616 CA GLU A 42 9.001 4.321 4.644 1.00 0.00 C ATOM 617 C GLU A 42 8.174 4.162 5.917 1.00 0.00 C ATOM 618 O GLU A 42 7.244 4.929 6.166 1.00 0.00 O ATOM 619 CB GLU A 42 9.925 5.534 4.771 1.00 0.00 C ATOM 620 CG GLU A 42 10.673 5.593 6.093 1.00 0.00 C ATOM 621 CD GLU A 42 11.399 6.910 6.294 1.00 0.00 C ATOM 622 OE1 GLU A 42 11.828 7.511 5.287 1.00 0.00 O ATOM 623 OE2 GLU A 42 11.536 7.338 7.459 1.00 0.00 O ATOM 0 H GLU A 42 7.882 5.424 3.255 1.00 0.00 H new ATOM 0 HA GLU A 42 9.607 3.425 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.647 5.517 3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.335 6.443 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.969 5.442 6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.393 4.775 6.136 1.00 0.00 H new ATOM 630 N SER A 43 8.521 3.160 6.719 1.00 0.00 N ATOM 631 CA SER A 43 7.809 2.896 7.964 1.00 0.00 C ATOM 632 C SER A 43 8.363 3.753 9.098 1.00 0.00 C ATOM 633 O SER A 43 9.388 4.416 8.946 1.00 0.00 O ATOM 634 CB SER A 43 7.912 1.415 8.331 1.00 0.00 C ATOM 635 OG SER A 43 9.092 1.153 9.070 1.00 0.00 O ATOM 0 H SER A 43 9.290 2.518 6.529 1.00 0.00 H new ATOM 0 HA SER A 43 6.760 3.154 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.040 1.121 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.906 0.811 7.424 1.00 0.00 H new ATOM 0 HG SER A 43 9.819 0.922 8.455 1.00 0.00 H new ATOM 641 N MET A 44 7.676 3.733 10.236 1.00 0.00 N ATOM 642 CA MET A 44 8.100 4.506 11.398 1.00 0.00 C ATOM 643 C MET A 44 8.524 3.586 12.538 1.00 0.00 C ATOM 644 O MET A 44 9.709 3.475 12.853 1.00 0.00 O ATOM 645 CB MET A 44 6.971 5.428 11.863 1.00 0.00 C ATOM 646 CG MET A 44 6.256 6.135 10.723 1.00 0.00 C ATOM 647 SD MET A 44 7.122 7.618 10.173 1.00 0.00 S ATOM 648 CE MET A 44 6.413 7.840 8.544 1.00 0.00 C ATOM 0 H MET A 44 6.824 3.190 10.378 1.00 0.00 H new ATOM 0 HA MET A 44 8.958 5.112 11.107 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.246 4.844 12.429 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.380 6.175 12.544 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.151 5.448 9.883 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.249 6.404 11.042 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.400 8.901 8.294 1.00 0.00 H new ATOM 0 HE2 MET A 44 7.012 7.301 7.810 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.394 7.453 8.535 1.00 0.00 H new ATOM 658 N THR A 45 7.547 2.928 13.156 1.00 0.00 N ATOM 659 CA THR A 45 7.819 2.019 14.262 1.00 0.00 C ATOM 660 C THR A 45 6.545 1.322 14.727 1.00 0.00 C ATOM 661 O THR A 45 5.453 1.623 14.249 1.00 0.00 O ATOM 662 CB THR A 45 8.450 2.760 15.456 1.00 0.00 C ATOM 663 OG1 THR A 45 8.809 1.825 16.479 1.00 0.00 O ATOM 664 CG2 THR A 45 7.488 3.794 16.021 1.00 0.00 C ATOM 0 H THR A 45 6.561 3.008 12.909 1.00 0.00 H new ATOM 0 HA THR A 45 8.524 1.274 13.893 1.00 0.00 H new ATOM 0 HB THR A 45 9.345 3.274 15.104 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.124 1.828 17.180 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.956 4.304 16.863 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.241 4.521 15.248 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.577 3.298 16.357 1.00 0.00 H new ATOM 672 N ASN A 46 6.694 0.390 15.663 1.00 0.00 N ATOM 673 CA ASN A 46 5.554 -0.350 16.193 1.00 0.00 C ATOM 674 C ASN A 46 4.739 -0.974 15.064 1.00 0.00 C ATOM 675 O ASN A 46 3.520 -1.113 15.168 1.00 0.00 O ATOM 676 CB ASN A 46 4.665 0.573 17.029 1.00 0.00 C ATOM 677 CG ASN A 46 3.488 -0.160 17.643 1.00 0.00 C ATOM 678 OD1 ASN A 46 2.333 0.203 17.421 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.777 -1.197 18.421 1.00 0.00 N ATOM 0 H ASN A 46 7.592 0.129 16.070 1.00 0.00 H new ATOM 0 HA ASN A 46 5.935 -1.150 16.828 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.260 1.027 17.821 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.297 1.385 16.402 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.026 -1.728 18.862 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.750 -1.462 18.577 1.00 0.00 H new ATOM 686 N LEU A 47 5.421 -1.350 13.988 1.00 0.00 N ATOM 687 CA LEU A 47 4.761 -1.961 12.839 1.00 0.00 C ATOM 688 C LEU A 47 4.464 -3.434 13.101 1.00 0.00 C ATOM 689 O LEU A 47 5.335 -4.205 13.503 1.00 0.00 O ATOM 690 CB LEU A 47 5.632 -1.818 11.590 1.00 0.00 C ATOM 691 CG LEU A 47 5.430 -0.542 10.773 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.330 0.570 11.289 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.697 -0.805 9.298 1.00 0.00 C ATOM 0 H LEU A 47 6.430 -1.243 13.887 1.00 0.00 H new ATOM 0 HA LEU A 47 3.816 -1.443 12.676 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.678 -1.870 11.893 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.445 -2.674 10.942 1.00 0.00 H new ATOM 0 HG LEU A 47 4.393 -0.223 10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.173 1.471 10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.091 0.777 12.332 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.372 0.261 11.210 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.548 0.114 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.724 -1.148 9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.011 -1.570 8.935 1.00 0.00 H new ATOM 705 N PRO A 48 3.206 -3.836 12.867 1.00 0.00 N ATOM 706 CA PRO A 48 2.767 -5.219 13.068 1.00 0.00 C ATOM 707 C PRO A 48 3.367 -6.174 12.041 1.00 0.00 C ATOM 708 O PRO A 48 3.814 -5.768 10.968 1.00 0.00 O ATOM 709 CB PRO A 48 1.248 -5.137 12.898 1.00 0.00 C ATOM 710 CG PRO A 48 1.027 -3.945 12.033 1.00 0.00 C ATOM 711 CD PRO A 48 2.116 -2.970 12.386 1.00 0.00 C ATOM 0 HA PRO A 48 3.081 -5.609 14.036 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.852 -6.041 12.435 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.747 -5.026 13.860 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.072 -4.215 10.978 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.043 -3.512 12.210 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.423 -2.380 11.522 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.793 -2.267 13.154 1.00 0.00 H new ATOM 719 N PRO A 49 3.378 -7.473 12.375 1.00 0.00 N ATOM 720 CA PRO A 49 3.920 -8.512 11.494 1.00 0.00 C ATOM 721 C PRO A 49 3.053 -8.735 10.260 1.00 0.00 C ATOM 722 O PRO A 49 2.264 -9.678 10.206 1.00 0.00 O ATOM 723 CB PRO A 49 3.924 -9.760 12.379 1.00 0.00 C ATOM 724 CG PRO A 49 2.859 -9.511 13.391 1.00 0.00 C ATOM 725 CD PRO A 49 2.863 -8.027 13.638 1.00 0.00 C ATOM 0 HA PRO A 49 4.903 -8.246 11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.715 -10.658 11.798 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.894 -9.906 12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.887 -9.843 13.025 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.058 -10.061 14.311 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.864 -7.654 13.863 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.499 -7.762 14.482 1.00 0.00 H new ATOM 733 N VAL A 50 3.205 -7.863 9.269 1.00 0.00 N ATOM 734 CA VAL A 50 2.437 -7.966 8.034 1.00 0.00 C ATOM 735 C VAL A 50 3.307 -8.465 6.886 1.00 0.00 C ATOM 736 O VAL A 50 4.451 -8.039 6.730 1.00 0.00 O ATOM 737 CB VAL A 50 1.817 -6.611 7.643 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.515 -6.383 8.396 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.800 -5.481 7.906 1.00 0.00 C ATOM 0 H VAL A 50 3.854 -7.076 9.297 1.00 0.00 H new ATOM 0 HA VAL A 50 1.637 -8.683 8.218 1.00 0.00 H new ATOM 0 HB VAL A 50 1.594 -6.627 6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.091 -5.421 8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.190 -7.178 8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.710 -6.386 9.468 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.346 -4.531 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.056 -5.461 8.965 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.703 -5.640 7.317 1.00 0.00 H new ATOM 749 N ASN A 51 2.757 -9.370 6.083 1.00 0.00 N ATOM 750 CA ASN A 51 3.483 -9.927 4.948 1.00 0.00 C ATOM 751 C ASN A 51 3.044 -9.267 3.644 1.00 0.00 C ATOM 752 O ASN A 51 2.180 -8.391 3.642 1.00 0.00 O ATOM 753 CB ASN A 51 3.261 -11.439 4.867 1.00 0.00 C ATOM 754 CG ASN A 51 1.837 -11.834 5.207 1.00 0.00 C ATOM 755 OD1 ASN A 51 1.528 -11.880 6.497 1.00 0.00 O flip ATOM 756 ND2 ASN A 51 1.024 -12.093 4.319 1.00 0.00 N flip ATOM 0 H ASN A 51 1.811 -9.733 6.198 1.00 0.00 H new ATOM 0 HA ASN A 51 4.545 -9.729 5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.501 -11.785 3.862 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.947 -11.941 5.549 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.306 -12.045 3.340 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.069 -12.356 4.563 1.00 0.00 H new ATOM 763 N GLU A 52 3.646 -9.695 2.539 1.00 0.00 N ATOM 764 CA GLU A 52 3.317 -9.144 1.229 1.00 0.00 C ATOM 765 C GLU A 52 1.809 -9.154 0.998 1.00 0.00 C ATOM 766 O GLU A 52 1.225 -8.147 0.600 1.00 0.00 O ATOM 767 CB GLU A 52 4.018 -9.940 0.126 1.00 0.00 C ATOM 768 CG GLU A 52 5.534 -9.903 0.218 1.00 0.00 C ATOM 769 CD GLU A 52 6.135 -8.722 -0.520 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.873 -8.588 -1.734 1.00 0.00 O ATOM 771 OE2 GLU A 52 6.866 -7.934 0.114 1.00 0.00 O ATOM 0 H GLU A 52 4.363 -10.420 2.524 1.00 0.00 H new ATOM 0 HA GLU A 52 3.665 -8.111 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.685 -10.977 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.712 -9.548 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.830 -9.860 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.942 -10.828 -0.191 1.00 0.00 H new ATOM 778 N GLU A 53 1.185 -10.301 1.251 1.00 0.00 N ATOM 779 CA GLU A 53 -0.255 -10.442 1.069 1.00 0.00 C ATOM 780 C GLU A 53 -1.006 -9.313 1.770 1.00 0.00 C ATOM 781 O GLU A 53 -2.153 -9.014 1.437 1.00 0.00 O ATOM 782 CB GLU A 53 -0.729 -11.794 1.605 1.00 0.00 C ATOM 783 CG GLU A 53 -1.931 -12.356 0.863 1.00 0.00 C ATOM 784 CD GLU A 53 -1.535 -13.233 -0.308 1.00 0.00 C ATOM 785 OE1 GLU A 53 -0.385 -13.719 -0.325 1.00 0.00 O ATOM 786 OE2 GLU A 53 -2.376 -13.434 -1.209 1.00 0.00 O ATOM 0 H GLU A 53 1.654 -11.144 1.582 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.467 -10.388 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.092 -12.508 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.981 -11.689 2.660 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.543 -12.935 1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.549 -11.533 0.503 1.00 0.00 H new ATOM 793 N THR A 54 -0.349 -8.689 2.743 1.00 0.00 N ATOM 794 CA THR A 54 -0.953 -7.595 3.493 1.00 0.00 C ATOM 795 C THR A 54 -1.325 -6.437 2.573 1.00 0.00 C ATOM 796 O THR A 54 -0.506 -5.976 1.778 1.00 0.00 O ATOM 797 CB THR A 54 -0.007 -7.079 4.593 1.00 0.00 C ATOM 798 OG1 THR A 54 0.361 -8.152 5.466 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.667 -5.968 5.397 1.00 0.00 C ATOM 0 H THR A 54 0.601 -8.923 3.030 1.00 0.00 H new ATOM 0 HA THR A 54 -1.856 -7.991 3.957 1.00 0.00 H new ATOM 0 HB THR A 54 0.886 -6.678 4.114 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.890 -8.811 4.970 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.020 -5.619 6.168 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.919 -5.140 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.575 -6.348 5.865 1.00 0.00 H new ATOM 807 N VAL A 55 -2.564 -5.972 2.687 1.00 0.00 N ATOM 808 CA VAL A 55 -3.044 -4.866 1.866 1.00 0.00 C ATOM 809 C VAL A 55 -2.840 -3.530 2.571 1.00 0.00 C ATOM 810 O VAL A 55 -3.013 -3.425 3.786 1.00 0.00 O ATOM 811 CB VAL A 55 -4.536 -5.029 1.520 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.963 -3.992 0.493 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.815 -6.437 1.016 1.00 0.00 C ATOM 0 H VAL A 55 -3.254 -6.343 3.340 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.462 -4.880 0.945 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.121 -4.869 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.020 -4.123 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.801 -2.992 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.374 -4.116 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.874 -6.534 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.221 -6.628 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.550 -7.159 1.788 1.00 0.00 H new ATOM 823 N ILE A 56 -2.472 -2.511 1.802 1.00 0.00 N ATOM 824 CA ILE A 56 -2.246 -1.181 2.353 1.00 0.00 C ATOM 825 C ILE A 56 -3.417 -0.253 2.046 1.00 0.00 C ATOM 826 O ILE A 56 -3.854 -0.145 0.900 1.00 0.00 O ATOM 827 CB ILE A 56 -0.952 -0.555 1.801 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.204 -1.554 1.895 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.617 0.723 2.556 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.587 -1.902 3.316 1.00 0.00 C ATOM 0 H ILE A 56 -2.324 -2.581 0.795 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.151 -1.299 3.432 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.107 -0.304 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.072 -2.467 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.073 -1.141 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.300 1.153 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.433 1.437 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.478 0.495 3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.412 -2.614 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.894 -0.998 3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.269 -2.345 3.825 1.00 0.00 H new ATOM 842 N PHE A 57 -3.919 0.417 3.078 1.00 0.00 N ATOM 843 CA PHE A 57 -5.039 1.338 2.919 1.00 0.00 C ATOM 844 C PHE A 57 -4.557 2.786 2.917 1.00 0.00 C ATOM 845 O PHE A 57 -3.599 3.135 3.606 1.00 0.00 O ATOM 846 CB PHE A 57 -6.060 1.130 4.040 1.00 0.00 C ATOM 847 CG PHE A 57 -6.925 -0.082 3.846 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.357 -1.328 3.634 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.306 0.024 3.875 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.150 -2.445 3.455 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.105 -1.090 3.697 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.526 -2.327 3.487 1.00 0.00 C ATOM 0 H PHE A 57 -3.568 0.340 4.033 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.514 1.131 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.532 1.041 4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.696 2.013 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.282 -1.427 3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.764 0.988 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.694 -3.410 3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.180 -0.994 3.722 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.148 -3.199 3.348 1.00 0.00 H new ATOM 862 N LYS A 58 -5.228 3.625 2.135 1.00 0.00 N ATOM 863 CA LYS A 58 -4.871 5.035 2.042 1.00 0.00 C ATOM 864 C LYS A 58 -5.468 5.826 3.201 1.00 0.00 C ATOM 865 O LYS A 58 -6.304 5.316 3.948 1.00 0.00 O ATOM 866 CB LYS A 58 -5.355 5.618 0.711 1.00 0.00 C ATOM 867 CG LYS A 58 -4.385 5.397 -0.437 1.00 0.00 C ATOM 868 CD LYS A 58 -5.111 5.305 -1.769 1.00 0.00 C ATOM 869 CE LYS A 58 -6.058 6.479 -1.970 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.707 6.444 -3.310 1.00 0.00 N ATOM 0 H LYS A 58 -6.022 3.352 1.556 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.785 5.113 2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.316 5.171 0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.524 6.688 0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.665 6.215 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.819 4.481 -0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.383 5.280 -2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.672 4.372 -1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.824 6.465 -1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.508 7.413 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.296 7.184 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.550 5.514 -3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.728 6.610 -3.205 1.00 0.00 H new ATOM 884 N SER A 59 -5.034 7.074 3.346 1.00 0.00 N ATOM 885 CA SER A 59 -5.524 7.934 4.417 1.00 0.00 C ATOM 886 C SER A 59 -7.031 8.144 4.299 1.00 0.00 C ATOM 887 O SER A 59 -7.696 8.503 5.271 1.00 0.00 O ATOM 888 CB SER A 59 -4.806 9.285 4.384 1.00 0.00 C ATOM 889 OG SER A 59 -5.039 9.956 3.158 1.00 0.00 O ATOM 0 H SER A 59 -4.344 7.512 2.735 1.00 0.00 H new ATOM 0 HA SER A 59 -5.316 7.443 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.151 9.904 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.735 9.135 4.522 1.00 0.00 H new ATOM 0 HG SER A 59 -4.571 10.817 3.162 1.00 0.00 H new ATOM 895 N ASP A 60 -7.561 7.917 3.103 1.00 0.00 N ATOM 896 CA ASP A 60 -8.989 8.079 2.856 1.00 0.00 C ATOM 897 C ASP A 60 -9.715 6.741 2.962 1.00 0.00 C ATOM 898 O ASP A 60 -10.782 6.554 2.377 1.00 0.00 O ATOM 899 CB ASP A 60 -9.224 8.693 1.475 1.00 0.00 C ATOM 900 CG ASP A 60 -8.946 10.183 1.449 1.00 0.00 C ATOM 901 OD1 ASP A 60 -9.414 10.890 2.366 1.00 0.00 O ATOM 902 OD2 ASP A 60 -8.261 10.642 0.512 1.00 0.00 O ATOM 0 H ASP A 60 -7.023 7.620 2.289 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.389 8.750 3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.586 8.194 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.255 8.513 1.171 1.00 0.00 H new ATOM 907 N ARG A 61 -9.127 5.813 3.711 1.00 0.00 N ATOM 908 CA ARG A 61 -9.716 4.492 3.891 1.00 0.00 C ATOM 909 C ARG A 61 -9.954 3.814 2.545 1.00 0.00 C ATOM 910 O ARG A 61 -11.005 3.217 2.317 1.00 0.00 O ATOM 911 CB ARG A 61 -11.035 4.598 4.660 1.00 0.00 C ATOM 912 CG ARG A 61 -10.900 5.291 6.006 1.00 0.00 C ATOM 913 CD ARG A 61 -11.988 4.847 6.972 1.00 0.00 C ATOM 914 NE ARG A 61 -13.244 5.557 6.746 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.507 6.761 7.241 1.00 0.00 C ATOM 916 NH1 ARG A 61 -12.605 7.387 7.985 1.00 0.00 N ATOM 917 NH2 ARG A 61 -14.673 7.342 6.991 1.00 0.00 N ATOM 0 H ARG A 61 -8.244 5.952 4.202 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.016 3.886 4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.758 5.141 4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.437 3.597 4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.921 5.072 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.953 6.371 5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.153 3.775 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.655 5.017 7.996 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.958 5.103 6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.707 6.944 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.809 8.312 8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.369 6.864 6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.874 8.267 7.372 1.00 0.00 H new ATOM 931 N GLN A 62 -8.969 3.912 1.657 1.00 0.00 N ATOM 932 CA GLN A 62 -9.072 3.310 0.333 1.00 0.00 C ATOM 933 C GLN A 62 -7.884 2.395 0.057 1.00 0.00 C ATOM 934 O GLN A 62 -6.741 2.848 -0.006 1.00 0.00 O ATOM 935 CB GLN A 62 -9.155 4.397 -0.740 1.00 0.00 C ATOM 936 CG GLN A 62 -10.577 4.830 -1.059 1.00 0.00 C ATOM 937 CD GLN A 62 -10.635 6.184 -1.739 1.00 0.00 C ATOM 938 OE1 GLN A 62 -11.112 7.162 -1.162 1.00 0.00 O ATOM 939 NE2 GLN A 62 -10.149 6.248 -2.973 1.00 0.00 N ATOM 0 H GLN A 62 -8.092 4.402 1.831 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.982 2.711 0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.585 5.266 -0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.682 4.033 -1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.044 4.084 -1.702 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.158 4.865 -0.137 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.763 5.413 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.162 7.132 -3.481 1.00 0.00 H new ATOM 948 N ALA A 63 -8.160 1.106 -0.106 1.00 0.00 N ATOM 949 CA ALA A 63 -7.114 0.128 -0.376 1.00 0.00 C ATOM 950 C ALA A 63 -6.252 0.559 -1.558 1.00 0.00 C ATOM 951 O ALA A 63 -6.602 0.318 -2.714 1.00 0.00 O ATOM 952 CB ALA A 63 -7.725 -1.241 -0.637 1.00 0.00 C ATOM 0 H ALA A 63 -9.100 0.714 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.474 0.065 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.932 -1.961 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.292 -1.559 0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.390 -1.184 -1.499 1.00 0.00 H new ATOM 958 N ALA A 64 -5.126 1.198 -1.262 1.00 0.00 N ATOM 959 CA ALA A 64 -4.214 1.661 -2.300 1.00 0.00 C ATOM 960 C ALA A 64 -3.638 0.489 -3.088 1.00 0.00 C ATOM 961 O ALA A 64 -3.368 0.604 -4.283 1.00 0.00 O ATOM 962 CB ALA A 64 -3.094 2.489 -1.688 1.00 0.00 C ATOM 0 H ALA A 64 -4.823 1.407 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.778 2.287 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.420 2.828 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.518 3.353 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.540 1.880 -0.974 1.00 0.00 H new ATOM 968 N GLY A 65 -3.450 -0.639 -2.409 1.00 0.00 N ATOM 969 CA GLY A 65 -2.906 -1.816 -3.062 1.00 0.00 C ATOM 970 C GLY A 65 -2.166 -2.723 -2.099 1.00 0.00 C ATOM 971 O GLY A 65 -1.941 -2.363 -0.943 1.00 0.00 O ATOM 0 H GLY A 65 -3.665 -0.759 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.716 -2.374 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.229 -1.506 -3.858 1.00 0.00 H new ATOM 975 N LYS A 66 -1.787 -3.904 -2.574 1.00 0.00 N ATOM 976 CA LYS A 66 -1.068 -4.866 -1.748 1.00 0.00 C ATOM 977 C LYS A 66 0.439 -4.652 -1.849 1.00 0.00 C ATOM 978 O LYS A 66 0.929 -4.075 -2.820 1.00 0.00 O ATOM 979 CB LYS A 66 -1.420 -6.295 -2.169 1.00 0.00 C ATOM 980 CG LYS A 66 -2.648 -6.851 -1.469 1.00 0.00 C ATOM 981 CD LYS A 66 -2.865 -8.317 -1.803 1.00 0.00 C ATOM 982 CE LYS A 66 -4.309 -8.734 -1.570 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.630 -10.022 -2.244 1.00 0.00 N ATOM 0 H LYS A 66 -1.966 -4.218 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.370 -4.714 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.585 -6.317 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.570 -6.945 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.537 -6.735 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.526 -6.276 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.596 -8.498 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.204 -8.932 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.491 -8.829 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.976 -7.955 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.623 -10.271 -2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.481 -9.924 -3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.011 -10.771 -1.874 1.00 0.00 H new ATOM 997 N ILE A 67 1.168 -5.122 -0.843 1.00 0.00 N ATOM 998 CA ILE A 67 2.619 -4.984 -0.821 1.00 0.00 C ATOM 999 C ILE A 67 3.261 -5.740 -1.979 1.00 0.00 C ATOM 1000 O ILE A 67 3.111 -6.956 -2.100 1.00 0.00 O ATOM 1001 CB ILE A 67 3.214 -5.496 0.504 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.050 -4.444 1.603 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.681 -5.856 0.322 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.951 -5.032 2.993 1.00 0.00 C ATOM 0 H ILE A 67 0.778 -5.602 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 67 2.836 -3.920 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 67 2.674 -6.394 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.896 -3.758 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.154 -3.856 1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.087 -6.216 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.773 -6.636 -0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.235 -4.974 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.836 -4.229 3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.088 -5.696 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.857 -5.596 3.215 1.00 0.00 H new ATOM 1016 N PHE A 68 3.978 -5.012 -2.829 1.00 0.00 N ATOM 1017 CA PHE A 68 4.644 -5.614 -3.978 1.00 0.00 C ATOM 1018 C PHE A 68 6.018 -6.151 -3.590 1.00 0.00 C ATOM 1019 O PHE A 68 6.494 -7.134 -4.157 1.00 0.00 O ATOM 1020 CB PHE A 68 4.784 -4.591 -5.107 1.00 0.00 C ATOM 1021 CG PHE A 68 5.714 -5.030 -6.202 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.354 -6.052 -7.066 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.947 -4.420 -6.368 1.00 0.00 C ATOM 1024 CE1 PHE A 68 6.209 -6.458 -8.073 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.805 -4.821 -7.374 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.435 -5.841 -8.229 1.00 0.00 C ATOM 0 H PHE A 68 4.113 -4.005 -2.744 1.00 0.00 H new ATOM 0 HA PHE A 68 4.033 -6.447 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.800 -4.396 -5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.144 -3.650 -4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.395 -6.536 -6.951 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.241 -3.621 -5.703 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.919 -7.258 -8.738 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.764 -4.338 -7.492 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.103 -6.155 -9.018 1.00 0.00 H new ATOM 1036 N GLU A 69 6.650 -5.498 -2.620 1.00 0.00 N ATOM 1037 CA GLU A 69 7.970 -5.909 -2.157 1.00 0.00 C ATOM 1038 C GLU A 69 8.390 -5.108 -0.928 1.00 0.00 C ATOM 1039 O GLU A 69 8.000 -3.951 -0.765 1.00 0.00 O ATOM 1040 CB GLU A 69 9.004 -5.733 -3.272 1.00 0.00 C ATOM 1041 CG GLU A 69 10.437 -5.938 -2.811 1.00 0.00 C ATOM 1042 CD GLU A 69 11.360 -6.352 -3.941 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.469 -5.593 -4.926 1.00 0.00 O ATOM 1044 OE2 GLU A 69 11.972 -7.436 -3.839 1.00 0.00 O ATOM 0 H GLU A 69 6.269 -4.683 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 69 7.918 -6.962 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.785 -6.438 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.906 -4.732 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.807 -5.015 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.459 -6.700 -2.032 1.00 0.00 H new ATOM 1051 N ILE A 70 9.187 -5.731 -0.066 1.00 0.00 N ATOM 1052 CA ILE A 70 9.660 -5.076 1.147 1.00 0.00 C ATOM 1053 C ILE A 70 11.175 -5.188 1.277 1.00 0.00 C ATOM 1054 O ILE A 70 11.753 -6.249 1.039 1.00 0.00 O ATOM 1055 CB ILE A 70 9.003 -5.677 2.404 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.478 -5.631 2.280 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.461 -4.932 3.649 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.766 -6.549 3.248 1.00 0.00 C ATOM 0 H ILE A 70 9.518 -6.688 -0.185 1.00 0.00 H new ATOM 0 HA ILE A 70 9.381 -4.025 1.068 1.00 0.00 H new ATOM 0 HB ILE A 70 9.311 -6.719 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.139 -4.608 2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.196 -5.900 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.988 -5.368 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.544 -5.011 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.179 -3.882 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.689 -6.465 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.077 -7.578 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.019 -6.267 4.270 1.00 0.00 H new ATOM 1070 N PHE A 71 11.813 -4.086 1.657 1.00 0.00 N ATOM 1071 CA PHE A 71 13.262 -4.060 1.820 1.00 0.00 C ATOM 1072 C PHE A 71 13.663 -3.151 2.979 1.00 0.00 C ATOM 1073 O PHE A 71 12.828 -2.454 3.553 1.00 0.00 O ATOM 1074 CB PHE A 71 13.933 -3.585 0.529 1.00 0.00 C ATOM 1075 CG PHE A 71 13.404 -2.272 0.026 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.721 -1.089 0.673 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.589 -2.222 -1.093 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.236 0.121 0.212 1.00 0.00 C ATOM 1079 CE2 PHE A 71 12.102 -1.016 -1.559 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.424 0.157 -0.904 1.00 0.00 C ATOM 0 H PHE A 71 11.350 -3.200 1.858 1.00 0.00 H new ATOM 0 HA PHE A 71 13.596 -5.073 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.006 -3.494 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.795 -4.343 -0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.354 -1.112 1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.331 -3.136 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.492 1.037 0.724 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.470 -0.990 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.041 1.100 -1.264 1.00 0.00 H new ATOM 1090 N GLY A 72 14.949 -3.165 3.317 1.00 0.00 N ATOM 1091 CA GLY A 72 15.439 -2.340 4.405 1.00 0.00 C ATOM 1092 C GLY A 72 15.687 -3.137 5.671 1.00 0.00 C ATOM 1093 O GLY A 72 15.710 -4.368 5.660 1.00 0.00 O ATOM 0 H GLY A 72 15.660 -3.733 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.365 -1.853 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.717 -1.550 4.612 1.00 0.00 H new ATOM 1097 N PRO A 73 15.881 -2.428 6.793 1.00 0.00 N ATOM 1098 CA PRO A 73 16.134 -3.057 8.093 1.00 0.00 C ATOM 1099 C PRO A 73 14.903 -3.772 8.640 1.00 0.00 C ATOM 1100 O PRO A 73 13.951 -4.040 7.907 1.00 0.00 O ATOM 1101 CB PRO A 73 16.510 -1.875 8.991 1.00 0.00 C ATOM 1102 CG PRO A 73 15.854 -0.696 8.360 1.00 0.00 C ATOM 1103 CD PRO A 73 15.867 -0.958 6.879 1.00 0.00 C ATOM 0 HA PRO A 73 16.905 -3.825 8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.157 -2.025 10.011 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.591 -1.746 9.043 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.834 -0.575 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.390 0.223 8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.990 -0.535 6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.743 -0.519 6.401 1.00 0.00 H new ATOM 1111 N VAL A 74 14.929 -4.078 9.933 1.00 0.00 N ATOM 1112 CA VAL A 74 13.814 -4.760 10.579 1.00 0.00 C ATOM 1113 C VAL A 74 13.034 -3.809 11.480 1.00 0.00 C ATOM 1114 O VAL A 74 11.938 -4.130 11.938 1.00 0.00 O ATOM 1115 CB VAL A 74 14.299 -5.959 11.416 1.00 0.00 C ATOM 1116 CG1 VAL A 74 15.070 -5.482 12.637 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.124 -6.833 11.826 1.00 0.00 C ATOM 0 H VAL A 74 15.710 -3.865 10.554 1.00 0.00 H new ATOM 0 HA VAL A 74 13.161 -5.120 9.784 1.00 0.00 H new ATOM 0 HB VAL A 74 14.972 -6.558 10.803 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.404 -6.343 13.216 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.935 -4.902 12.317 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.424 -4.859 13.255 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.485 -7.675 12.416 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.424 -6.246 12.421 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.619 -7.205 10.935 1.00 0.00 H new ATOM 1127 N ALA A 75 13.607 -2.636 11.729 1.00 0.00 N ATOM 1128 CA ALA A 75 12.965 -1.636 12.573 1.00 0.00 C ATOM 1129 C ALA A 75 12.498 -0.441 11.749 1.00 0.00 C ATOM 1130 O ALA A 75 11.544 0.245 12.117 1.00 0.00 O ATOM 1131 CB ALA A 75 13.915 -1.184 13.672 1.00 0.00 C ATOM 0 H ALA A 75 14.515 -2.355 11.358 1.00 0.00 H new ATOM 0 HA ALA A 75 12.088 -2.092 13.032 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.422 -0.437 14.295 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.195 -2.040 14.286 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.809 -0.750 13.224 1.00 0.00 H new ATOM 1137 N HIS A 76 13.178 -0.195 10.633 1.00 0.00 N ATOM 1138 CA HIS A 76 12.833 0.918 9.757 1.00 0.00 C ATOM 1139 C HIS A 76 12.782 0.468 8.300 1.00 0.00 C ATOM 1140 O HIS A 76 13.344 1.105 7.409 1.00 0.00 O ATOM 1141 CB HIS A 76 13.844 2.054 9.918 1.00 0.00 C ATOM 1142 CG HIS A 76 14.178 2.362 11.345 1.00 0.00 C ATOM 1143 ND1 HIS A 76 13.293 2.969 12.211 1.00 0.00 N ATOM 1144 CD2 HIS A 76 15.307 2.141 12.057 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.864 3.110 13.393 1.00 0.00 C ATOM 1146 NE2 HIS A 76 15.087 2.615 13.327 1.00 0.00 N ATOM 0 H HIS A 76 13.971 -0.752 10.315 1.00 0.00 H new ATOM 0 HA HIS A 76 11.845 1.279 10.041 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.760 1.792 9.388 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.447 2.952 9.445 1.00 0.00 H new ATOM 0 HD2 HIS A 76 16.213 1.678 11.694 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.409 3.555 14.266 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.759 2.589 14.094 1.00 0.00 H new ATOM 1154 N PRO A 77 12.095 -0.656 8.051 1.00 0.00 N ATOM 1155 CA PRO A 77 11.955 -1.217 6.704 1.00 0.00 C ATOM 1156 C PRO A 77 11.068 -0.359 5.808 1.00 0.00 C ATOM 1157 O PRO A 77 10.467 0.615 6.262 1.00 0.00 O ATOM 1158 CB PRO A 77 11.305 -2.580 6.952 1.00 0.00 C ATOM 1159 CG PRO A 77 10.581 -2.424 8.245 1.00 0.00 C ATOM 1160 CD PRO A 77 11.400 -1.466 9.065 1.00 0.00 C ATOM 0 HA PRO A 77 12.912 -1.274 6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.622 -2.846 6.145 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.053 -3.371 7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.574 -2.038 8.084 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.478 -3.383 8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.772 -0.851 9.710 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.104 -1.990 9.712 1.00 0.00 H new ATOM 1168 N PHE A 78 10.990 -0.727 4.534 1.00 0.00 N ATOM 1169 CA PHE A 78 10.176 0.010 3.574 1.00 0.00 C ATOM 1170 C PHE A 78 9.311 -0.941 2.752 1.00 0.00 C ATOM 1171 O PHE A 78 9.797 -1.941 2.223 1.00 0.00 O ATOM 1172 CB PHE A 78 11.067 0.837 2.646 1.00 0.00 C ATOM 1173 CG PHE A 78 12.205 1.515 3.355 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.264 0.777 3.857 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.214 2.891 3.520 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.313 1.397 4.509 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.260 3.517 4.172 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.310 2.769 4.668 1.00 0.00 C ATOM 0 H PHE A 78 11.480 -1.531 4.142 1.00 0.00 H new ATOM 0 HA PHE A 78 9.521 0.681 4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.469 0.188 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.458 1.592 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.270 -0.296 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.395 3.481 3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.134 0.810 4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.256 4.590 4.293 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.127 3.256 5.179 1.00 0.00 H new ATOM 1188 N TYR A 79 8.025 -0.623 2.649 1.00 0.00 N ATOM 1189 CA TYR A 79 7.090 -1.449 1.895 1.00 0.00 C ATOM 1190 C TYR A 79 6.780 -0.821 0.539 1.00 0.00 C ATOM 1191 O TYR A 79 6.616 0.394 0.427 1.00 0.00 O ATOM 1192 CB TYR A 79 5.797 -1.646 2.686 1.00 0.00 C ATOM 1193 CG TYR A 79 6.021 -2.120 4.105 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.455 -1.242 5.091 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.798 -3.445 4.459 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.662 -1.671 6.388 1.00 0.00 C ATOM 1197 CE2 TYR A 79 6.000 -3.882 5.754 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.433 -2.992 6.714 1.00 0.00 C ATOM 1199 OH TYR A 79 6.636 -3.422 8.005 1.00 0.00 O ATOM 0 H TYR A 79 7.606 0.202 3.079 1.00 0.00 H new ATOM 0 HA TYR A 79 7.556 -2.420 1.728 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.248 -0.705 2.709 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.169 -2.369 2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.633 -0.207 4.839 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.461 -4.145 3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.001 -0.976 7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.820 -4.915 6.013 1.00 0.00 H new ATOM 0 HH TYR A 79 6.429 -4.378 8.068 1.00 0.00 H new ATOM 1209 N VAL A 80 6.700 -1.660 -0.489 1.00 0.00 N ATOM 1210 CA VAL A 80 6.408 -1.189 -1.838 1.00 0.00 C ATOM 1211 C VAL A 80 4.965 -1.495 -2.226 1.00 0.00 C ATOM 1212 O VAL A 80 4.367 -2.451 -1.730 1.00 0.00 O ATOM 1213 CB VAL A 80 7.353 -1.828 -2.873 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.153 -1.195 -4.241 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.800 -1.699 -2.423 1.00 0.00 C ATOM 0 H VAL A 80 6.833 -2.668 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 80 6.560 -0.110 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 80 7.114 -2.889 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.829 -1.659 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.123 -1.344 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.364 -0.127 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.454 -2.156 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.055 -0.645 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.930 -2.204 -1.466 1.00 0.00 H new ATOM 1225 N LEU A 81 4.412 -0.679 -3.116 1.00 0.00 N ATOM 1226 CA LEU A 81 3.039 -0.862 -3.573 1.00 0.00 C ATOM 1227 C LEU A 81 3.000 -1.209 -5.058 1.00 0.00 C ATOM 1228 O LEU A 81 3.747 -0.644 -5.857 1.00 0.00 O ATOM 1229 CB LEU A 81 2.220 0.403 -3.311 1.00 0.00 C ATOM 1230 CG LEU A 81 1.715 0.592 -1.880 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.694 1.717 -1.819 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.116 -0.703 -1.351 1.00 0.00 C ATOM 0 H LEU A 81 4.893 0.116 -3.536 1.00 0.00 H new ATOM 0 HA LEU A 81 2.604 -1.691 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.829 1.267 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.360 0.400 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 81 2.561 0.862 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.346 1.837 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.155 2.645 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.152 1.476 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.762 -0.550 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.281 -1.003 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.876 -1.485 -1.358 1.00 0.00 H new ATOM 1244 N ARG A 82 2.123 -2.139 -5.420 1.00 0.00 N ATOM 1245 CA ARG A 82 1.987 -2.560 -6.809 1.00 0.00 C ATOM 1246 C ARG A 82 1.120 -1.578 -7.592 1.00 0.00 C ATOM 1247 O ARG A 82 0.177 -0.999 -7.052 1.00 0.00 O ATOM 1248 CB ARG A 82 1.380 -3.963 -6.882 1.00 0.00 C ATOM 1249 CG ARG A 82 0.856 -4.329 -8.262 1.00 0.00 C ATOM 1250 CD ARG A 82 1.993 -4.585 -9.239 1.00 0.00 C ATOM 1251 NE ARG A 82 2.758 -5.779 -8.888 1.00 0.00 N ATOM 1252 CZ ARG A 82 2.344 -7.016 -9.141 1.00 0.00 C ATOM 1253 NH1 ARG A 82 1.181 -7.220 -9.742 1.00 0.00 N ATOM 1254 NH2 ARG A 82 3.096 -8.052 -8.792 1.00 0.00 N ATOM 0 H ARG A 82 1.496 -2.615 -4.771 1.00 0.00 H new ATOM 0 HA ARG A 82 2.981 -2.578 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.134 -4.692 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.565 -4.035 -6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.229 -5.218 -8.191 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.225 -3.524 -8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.588 -4.696 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.657 -3.721 -9.257 1.00 0.00 H new ATOM 0 HE ARG A 82 3.658 -5.657 -8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.600 -6.426 -10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.866 -8.171 -9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.992 -7.899 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.778 -9.001 -8.986 1.00 0.00 H new ATOM 1268 N PHE A 83 1.447 -1.394 -8.867 1.00 0.00 N ATOM 1269 CA PHE A 83 0.700 -0.481 -9.724 1.00 0.00 C ATOM 1270 C PHE A 83 1.054 -0.701 -11.192 1.00 0.00 C ATOM 1271 O PHE A 83 2.227 -0.762 -11.556 1.00 0.00 O ATOM 1272 CB PHE A 83 0.985 0.970 -9.331 1.00 0.00 C ATOM 1273 CG PHE A 83 0.301 1.392 -8.062 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.071 1.585 -8.030 1.00 0.00 C ATOM 1275 CD2 PHE A 83 1.030 1.598 -6.902 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.703 1.973 -6.864 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.403 1.986 -5.733 1.00 0.00 C ATOM 1278 CZ PHE A 83 -0.965 2.175 -5.714 1.00 0.00 C ATOM 0 H PHE A 83 2.225 -1.865 -9.329 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.362 -0.684 -9.590 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.061 1.102 -9.216 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.668 1.627 -10.141 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.653 1.430 -8.927 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.100 1.454 -6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.773 2.118 -6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.982 2.141 -4.835 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.457 2.480 -4.802 1.00 0.00 H new ATOM 1288 N ASN A 84 0.029 -0.819 -12.030 1.00 0.00 N ATOM 1289 CA ASN A 84 0.231 -1.034 -13.458 1.00 0.00 C ATOM 1290 C ASN A 84 1.182 0.010 -14.036 1.00 0.00 C ATOM 1291 O ASN A 84 2.110 -0.322 -14.774 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.108 -0.984 -14.197 1.00 0.00 C ATOM 1293 CG ASN A 84 -1.772 0.376 -14.099 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -2.726 0.504 -13.184 1.00 0.00 O flip ATOM 1295 ND2 ASN A 84 -1.431 1.301 -14.837 1.00 0.00 N flip ATOM 0 H ASN A 84 -0.949 -0.769 -11.745 1.00 0.00 H new ATOM 0 HA ASN A 84 0.676 -2.020 -13.592 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.950 -1.234 -15.246 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.775 -1.742 -13.786 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.693 1.158 -15.526 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.887 2.210 -14.759 1.00 0.00 H new ATOM 1302 N SER A 85 0.945 1.272 -13.694 1.00 0.00 N ATOM 1303 CA SER A 85 1.778 2.365 -14.181 1.00 0.00 C ATOM 1304 C SER A 85 1.646 3.591 -13.282 1.00 0.00 C ATOM 1305 O SER A 85 0.865 3.596 -12.331 1.00 0.00 O ATOM 1306 CB SER A 85 1.394 2.728 -15.617 1.00 0.00 C ATOM 1307 OG SER A 85 2.122 1.950 -16.551 1.00 0.00 O ATOM 0 H SER A 85 0.183 1.563 -13.082 1.00 0.00 H new ATOM 0 HA SER A 85 2.816 2.033 -14.163 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.325 2.570 -15.762 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.587 3.786 -15.792 1.00 0.00 H new ATOM 0 HG SER A 85 2.276 1.055 -16.182 1.00 0.00 H new ATOM 1313 N SER A 86 2.415 4.630 -13.592 1.00 0.00 N ATOM 1314 CA SER A 86 2.388 5.861 -12.811 1.00 0.00 C ATOM 1315 C SER A 86 0.965 6.397 -12.691 1.00 0.00 C ATOM 1316 O SER A 86 0.502 6.724 -11.598 1.00 0.00 O ATOM 1317 CB SER A 86 3.291 6.917 -13.452 1.00 0.00 C ATOM 1318 OG SER A 86 3.405 8.061 -12.624 1.00 0.00 O ATOM 0 H SER A 86 3.064 4.644 -14.378 1.00 0.00 H new ATOM 0 HA SER A 86 2.758 5.636 -11.811 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.279 6.494 -13.632 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.887 7.205 -14.422 1.00 0.00 H new ATOM 0 HG SER A 86 3.988 8.720 -13.055 1.00 0.00 H new ATOM 1324 N ASP A 87 0.275 6.484 -13.823 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.096 6.979 -13.847 1.00 0.00 C ATOM 1326 C ASP A 87 -1.901 6.407 -12.685 1.00 0.00 C ATOM 1327 O ASP A 87 -2.549 7.145 -11.942 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.768 6.621 -15.174 1.00 0.00 C ATOM 1329 CG ASP A 87 -3.263 6.417 -15.029 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -3.984 7.421 -14.852 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -3.712 5.253 -15.093 1.00 0.00 O ATOM 0 H ASP A 87 0.643 6.218 -14.736 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.065 8.064 -13.745 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.581 7.414 -15.898 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.317 5.712 -15.573 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.856 5.087 -12.533 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.581 4.416 -11.461 1.00 0.00 C ATOM 1338 C HIS A 88 -2.392 5.148 -10.135 1.00 0.00 C ATOM 1339 O HIS A 88 -3.351 5.368 -9.395 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.111 2.967 -11.328 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.178 2.033 -10.846 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -2.967 0.683 -10.656 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.470 2.260 -10.515 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.084 0.121 -10.229 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -5.011 1.057 -10.135 1.00 0.00 N ATOM 0 H HIS A 88 -1.325 4.461 -13.139 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.642 4.425 -11.713 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.747 2.621 -12.296 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.268 2.929 -10.638 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.981 3.211 -10.544 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.216 -0.925 -9.996 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.973 0.910 -9.830 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.151 5.521 -9.843 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.838 6.228 -8.608 1.00 0.00 C ATOM 1355 C ILE A 89 -1.456 7.622 -8.600 1.00 0.00 C ATOM 1356 O ILE A 89 -2.198 7.977 -7.684 1.00 0.00 O ATOM 1357 CB ILE A 89 0.684 6.353 -8.400 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.293 4.982 -8.099 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.987 7.332 -7.276 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.637 4.188 -9.340 1.00 0.00 C ATOM 0 H ILE A 89 -0.346 5.345 -10.445 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.261 5.641 -7.793 1.00 0.00 H new ATOM 0 HB ILE A 89 1.131 6.735 -9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.195 5.117 -7.502 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.593 4.408 -7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.066 7.409 -7.142 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.582 8.312 -7.528 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.531 6.977 -6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.064 3.228 -9.051 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.734 4.021 -9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.361 4.742 -9.937 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.146 8.407 -9.627 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.673 9.762 -9.739 1.00 0.00 C ATOM 1374 C GLU A 90 -3.162 9.796 -9.403 1.00 0.00 C ATOM 1375 O GLU A 90 -3.623 10.671 -8.670 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.445 10.307 -11.150 1.00 0.00 C ATOM 1377 CG GLU A 90 0.000 10.686 -11.430 1.00 0.00 C ATOM 1378 CD GLU A 90 0.139 11.621 -12.615 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.584 11.423 -13.614 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.970 12.550 -12.545 1.00 0.00 O ATOM 0 H GLU A 90 -0.533 8.128 -10.393 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.142 10.391 -9.024 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.762 9.558 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.077 11.183 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.425 11.161 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.579 9.782 -11.616 1.00 0.00 H new ATOM 1387 N SER A 91 -3.907 8.839 -9.946 1.00 0.00 N ATOM 1388 CA SER A 91 -5.343 8.761 -9.708 1.00 0.00 C ATOM 1389 C SER A 91 -5.641 8.631 -8.217 1.00 0.00 C ATOM 1390 O SER A 91 -6.431 9.395 -7.661 1.00 0.00 O ATOM 1391 CB SER A 91 -5.944 7.574 -10.465 1.00 0.00 C ATOM 1392 OG SER A 91 -7.331 7.760 -10.687 1.00 0.00 O ATOM 0 H SER A 91 -3.540 8.107 -10.554 1.00 0.00 H new ATOM 0 HA SER A 91 -5.797 9.683 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.433 7.451 -11.420 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.783 6.658 -9.897 1.00 0.00 H new ATOM 0 HG SER A 91 -7.691 6.989 -11.174 1.00 0.00 H new ATOM 1398 N LYS A 92 -5.003 7.659 -7.576 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.197 7.427 -6.149 1.00 0.00 C ATOM 1400 C LYS A 92 -4.857 8.677 -5.344 1.00 0.00 C ATOM 1401 O LYS A 92 -5.436 8.923 -4.287 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.333 6.254 -5.680 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.550 4.981 -6.479 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.721 4.177 -5.940 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.530 2.687 -6.176 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.600 1.880 -5.527 1.00 0.00 N ATOM 0 H LYS A 92 -4.346 7.018 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.247 7.185 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.283 6.539 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.545 6.054 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.731 5.233 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.646 4.373 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.833 4.366 -4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.642 4.507 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.524 2.487 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.558 2.380 -5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.854 1.081 -6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.257 1.518 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.438 2.476 -5.370 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.914 9.465 -5.853 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.514 10.681 -5.168 1.00 0.00 C ATOM 1422 C GLY A 93 -2.274 10.486 -4.318 1.00 0.00 C ATOM 1423 O GLY A 93 -1.770 11.436 -3.719 1.00 0.00 O ATOM 0 H GLY A 93 -3.420 9.283 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.328 11.464 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.333 11.025 -4.537 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.783 9.253 -4.264 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.595 8.938 -3.480 1.00 0.00 C ATOM 1429 C ILE A 94 0.583 9.813 -3.893 1.00 0.00 C ATOM 1430 O ILE A 94 0.788 10.082 -5.077 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.198 7.458 -3.630 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.378 6.552 -3.275 1.00 0.00 C ATOM 1433 CG2 ILE A 94 1.004 7.140 -2.753 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.302 5.182 -3.912 1.00 0.00 C ATOM 0 H ILE A 94 -2.189 8.456 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.843 9.135 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 94 0.076 7.275 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.425 6.438 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.304 7.037 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.272 6.090 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.846 7.765 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.756 7.337 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.171 4.594 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.286 5.286 -4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.394 4.677 -3.582 1.00 0.00 H new ATOM 1446 N LYS A 95 1.358 10.255 -2.908 1.00 0.00 N ATOM 1447 CA LYS A 95 2.519 11.098 -3.166 1.00 0.00 C ATOM 1448 C LYS A 95 3.439 11.146 -1.950 1.00 0.00 C ATOM 1449 O LYS A 95 3.127 10.580 -0.902 1.00 0.00 O ATOM 1450 CB LYS A 95 2.075 12.514 -3.538 1.00 0.00 C ATOM 1451 CG LYS A 95 0.994 13.071 -2.628 1.00 0.00 C ATOM 1452 CD LYS A 95 1.568 13.526 -1.296 1.00 0.00 C ATOM 1453 CE LYS A 95 0.515 14.215 -0.442 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.039 14.572 0.906 1.00 0.00 N ATOM 0 H LYS A 95 1.202 10.043 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 95 3.071 10.666 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 95 2.940 13.177 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.709 12.513 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.501 13.910 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.233 12.310 -2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.969 12.666 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.400 14.208 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.171 15.117 -0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.350 13.560 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.256 14.898 1.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.483 13.737 1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.745 15.331 0.814 1.00 0.00 H new ATOM 1468 N ILE A 96 4.571 11.825 -2.097 1.00 0.00 N ATOM 1469 CA ILE A 96 5.534 11.948 -1.009 1.00 0.00 C ATOM 1470 C ILE A 96 4.917 12.654 0.194 1.00 0.00 C ATOM 1471 O ILE A 96 4.120 13.580 0.043 1.00 0.00 O ATOM 1472 CB ILE A 96 6.791 12.718 -1.454 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.424 12.044 -2.673 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.791 12.806 -0.311 1.00 0.00 C ATOM 1475 CD1 ILE A 96 7.939 10.650 -2.393 1.00 0.00 C ATOM 0 H ILE A 96 4.844 12.298 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 96 5.821 10.935 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 96 6.499 13.730 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.687 11.996 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.247 12.661 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.674 13.353 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.336 13.327 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.081 11.801 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.374 10.234 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.699 10.693 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.115 10.017 -2.062 1.00 0.00 H new ATOM 1487 N LYS A 97 5.293 12.212 1.389 1.00 0.00 N ATOM 1488 CA LYS A 97 4.780 12.803 2.620 1.00 0.00 C ATOM 1489 C LYS A 97 3.318 12.426 2.836 1.00 0.00 C ATOM 1490 O LYS A 97 2.513 13.251 3.266 1.00 0.00 O ATOM 1491 CB LYS A 97 4.925 14.326 2.577 1.00 0.00 C ATOM 1492 CG LYS A 97 6.293 14.795 2.113 1.00 0.00 C ATOM 1493 CD LYS A 97 7.301 14.786 3.250 1.00 0.00 C ATOM 1494 CE LYS A 97 8.726 14.680 2.730 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.259 16.001 2.297 1.00 0.00 N ATOM 0 H LYS A 97 5.951 11.446 1.532 1.00 0.00 H new ATOM 0 HA LYS A 97 5.364 12.412 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.165 14.736 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.730 14.729 3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.646 14.151 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.214 15.802 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.194 15.697 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.092 13.949 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.367 14.268 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.756 13.984 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.232 15.886 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.662 16.383 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.255 16.658 3.103 1.00 0.00 H new ATOM 1509 N GLU A 98 2.983 11.175 2.537 1.00 0.00 N ATOM 1510 CA GLU A 98 1.618 10.690 2.700 1.00 0.00 C ATOM 1511 C GLU A 98 1.572 9.505 3.659 1.00 0.00 C ATOM 1512 O GLU A 98 1.970 8.392 3.310 1.00 0.00 O ATOM 1513 CB GLU A 98 1.031 10.288 1.345 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.475 10.469 1.257 1.00 0.00 C ATOM 1515 CD GLU A 98 -1.113 9.555 0.229 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.399 8.691 -0.323 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -2.327 9.703 -0.024 1.00 0.00 O ATOM 0 H GLU A 98 3.638 10.479 2.181 1.00 0.00 H new ATOM 0 HA GLU A 98 1.020 11.498 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.506 10.880 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.275 9.244 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.918 10.276 2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.699 11.506 1.005 1.00 0.00 H new ATOM 1524 N THR A 99 1.085 9.750 4.871 1.00 0.00 N ATOM 1525 CA THR A 99 0.989 8.704 5.882 1.00 0.00 C ATOM 1526 C THR A 99 -0.104 7.701 5.533 1.00 0.00 C ATOM 1527 O THR A 99 -1.283 8.050 5.470 1.00 0.00 O ATOM 1528 CB THR A 99 0.702 9.295 7.276 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.596 10.382 7.541 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.853 8.234 8.355 1.00 0.00 C ATOM 0 H THR A 99 0.751 10.664 5.177 1.00 0.00 H new ATOM 0 HA THR A 99 1.952 8.195 5.903 1.00 0.00 H new ATOM 0 HB THR A 99 -0.325 9.659 7.287 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.406 10.753 8.428 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.646 8.675 9.330 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.151 7.422 8.167 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.871 7.844 8.342 1.00 0.00 H new ATOM 1538 N MET A 100 0.294 6.453 5.309 1.00 0.00 N ATOM 1539 CA MET A 100 -0.654 5.399 4.968 1.00 0.00 C ATOM 1540 C MET A 100 -0.989 4.553 6.192 1.00 0.00 C ATOM 1541 O MET A 100 -0.392 4.720 7.256 1.00 0.00 O ATOM 1542 CB MET A 100 -0.084 4.510 3.860 1.00 0.00 C ATOM 1543 CG MET A 100 0.520 5.292 2.704 1.00 0.00 C ATOM 1544 SD MET A 100 -0.698 6.295 1.832 1.00 0.00 S ATOM 1545 CE MET A 100 -1.263 5.136 0.588 1.00 0.00 C ATOM 0 H MET A 100 1.266 6.147 5.357 1.00 0.00 H new ATOM 0 HA MET A 100 -1.570 5.870 4.611 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.679 3.858 4.285 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.876 3.866 3.478 1.00 0.00 H new ATOM 0 HG2 MET A 100 1.313 5.937 3.082 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.982 4.597 2.003 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.717 5.682 -0.239 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.416 4.557 0.219 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.000 4.462 1.026 1.00 0.00 H new ATOM 1555 N TYR A 101 -1.947 3.646 6.034 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.364 2.777 7.128 1.00 0.00 C ATOM 1557 C TYR A 101 -2.810 1.416 6.602 1.00 0.00 C ATOM 1558 O TYR A 101 -2.875 1.195 5.393 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.499 3.427 7.921 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.318 4.914 8.128 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.464 5.805 7.072 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.001 5.427 9.380 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.299 7.164 7.257 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.835 6.785 9.574 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.985 7.649 8.510 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.820 9.002 8.699 1.00 0.00 O ATOM 0 H TYR A 101 -2.449 3.494 5.159 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.509 2.630 7.787 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.441 3.253 7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.577 2.940 8.893 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.711 5.429 6.090 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -2.882 4.753 10.215 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.415 7.843 6.425 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.589 7.168 10.554 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.603 9.177 9.639 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.118 0.506 7.520 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.558 -0.834 7.151 1.00 0.00 C ATOM 1578 C PHE A 102 -4.710 -1.293 8.041 1.00 0.00 C ATOM 1579 O PHE A 102 -5.128 -0.577 8.951 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.395 -1.823 7.254 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.626 -1.712 8.539 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.264 -1.869 9.759 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.265 -1.452 8.527 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.558 -1.766 10.943 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.446 -1.348 9.708 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.202 -1.507 10.918 1.00 0.00 C ATOM 0 H PHE A 102 -3.071 0.672 8.525 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.909 -0.802 6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.782 -2.838 7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.715 -1.660 6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.324 -2.074 9.785 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.246 -1.329 7.584 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.067 -1.888 11.888 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.506 -1.143 9.685 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.351 -1.429 11.842 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.219 -2.490 7.770 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.321 -3.045 8.546 1.00 0.00 C ATOM 1598 C ALA A 103 -6.047 -4.496 8.929 1.00 0.00 C ATOM 1599 O ALA A 103 -6.945 -5.211 9.375 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.622 -2.940 7.765 1.00 0.00 C ATOM 0 H ALA A 103 -4.886 -3.094 7.019 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.414 -2.466 9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.436 -3.358 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.832 -1.893 7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.531 -3.494 6.830 1.00 0.00 H new