USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=19 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= -6.64! C(o=-13!,f=-22!) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 88 HIS : no HD1:sc= -6.54! C(o=-13!,f=-18!) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -118:sc= 0.371 (180deg=-1.94) USER MOD Set 2.2: A 62 GLN :FLIP amide:sc= 0.115 F(o=-0.98,f=0.49) USER MOD Single : A 16 THR OG1 : rot 46:sc= 0.547 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -169:sc= 0 (180deg=-0.224) USER MOD Single : A 32 SER OG : rot 160:sc= -0.73 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot -74:sc= 1.27 USER MOD Single : A 44 MET CE :methyl -163:sc= -1.14 (180deg=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 46 ASN : amide:sc= 0.326 K(o=0.33,f=-0.31) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 65:sc= -0.28 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=-0.00716 X(o=-0.0072,f=-0.0072) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00245 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -165:sc=-0.00356 (180deg=-0.107) USER MOD Single : A 97 LYS NZ :NH3+ -119:sc= -0.916 (180deg=-5.28!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= -0.0804 (180deg=-0.0804) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.751 -2.384 -5.009 1.00 0.00 N ATOM 191 CA THR A 16 -10.621 -1.333 -4.496 1.00 0.00 C ATOM 192 C THR A 16 -11.453 -1.833 -3.320 1.00 0.00 C ATOM 193 O THR A 16 -12.430 -2.559 -3.503 1.00 0.00 O ATOM 194 CB THR A 16 -11.568 -0.804 -5.590 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.284 -1.891 -6.187 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.790 -0.054 -6.661 1.00 0.00 C ATOM 0 HA THR A 16 -9.974 -0.522 -4.162 1.00 0.00 H new ATOM 0 HB THR A 16 -12.275 -0.116 -5.126 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.629 -2.481 -5.484 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.479 0.310 -7.423 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.270 0.790 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.063 -0.725 -7.120 1.00 0.00 H new ATOM 204 N ILE A 17 -11.059 -1.440 -2.113 1.00 0.00 N ATOM 205 CA ILE A 17 -11.769 -1.847 -0.908 1.00 0.00 C ATOM 206 C ILE A 17 -11.916 -0.681 0.064 1.00 0.00 C ATOM 207 O ILE A 17 -10.933 -0.033 0.424 1.00 0.00 O ATOM 208 CB ILE A 17 -11.050 -3.008 -0.195 1.00 0.00 C ATOM 209 CG1 ILE A 17 -10.901 -4.202 -1.141 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.809 -3.411 1.060 1.00 0.00 C ATOM 211 CD1 ILE A 17 -9.796 -5.154 -0.742 1.00 0.00 C ATOM 0 H ILE A 17 -10.252 -0.840 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.758 -2.182 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.055 -2.674 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.844 -4.747 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.707 -3.835 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.288 -4.232 1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.868 -2.560 1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.816 -3.730 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.748 -5.976 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.844 -4.624 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.999 -5.550 0.253 1.00 0.00 H new ATOM 223 N ILE A 18 -13.148 -0.422 0.487 1.00 0.00 N ATOM 224 CA ILE A 18 -13.423 0.663 1.420 1.00 0.00 C ATOM 225 C ILE A 18 -13.624 0.134 2.836 1.00 0.00 C ATOM 226 O ILE A 18 -14.367 -0.824 3.053 1.00 0.00 O ATOM 227 CB ILE A 18 -14.671 1.463 1.002 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.483 2.046 -0.401 1.00 0.00 C ATOM 229 CG2 ILE A 18 -14.953 2.569 2.008 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.321 3.009 -0.504 1.00 0.00 C ATOM 0 H ILE A 18 -13.972 -0.949 0.198 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.555 1.322 1.401 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.527 0.789 0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.332 1.230 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.397 2.559 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.838 3.125 1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.125 2.131 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.098 3.244 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.247 3.383 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.480 3.845 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.397 2.495 -0.239 1.00 0.00 H new ATOM 242 N LEU A 19 -12.957 0.764 3.797 1.00 0.00 N ATOM 243 CA LEU A 19 -13.063 0.358 5.194 1.00 0.00 C ATOM 244 C LEU A 19 -14.076 1.223 5.937 1.00 0.00 C ATOM 245 O LEU A 19 -14.119 2.444 5.783 1.00 0.00 O ATOM 246 CB LEU A 19 -11.698 0.451 5.878 1.00 0.00 C ATOM 247 CG LEU A 19 -11.455 -0.528 7.027 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.563 -1.964 6.537 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.093 -0.280 7.660 1.00 0.00 C ATOM 0 H LEU A 19 -12.337 1.558 3.634 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.406 -0.676 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.925 0.295 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.573 1.465 6.258 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.221 -0.366 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.387 -2.646 7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.560 -2.136 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.819 -2.140 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.937 -0.986 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.313 -0.414 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.052 0.738 8.048 1.00 0.00 H new ATOM 261 N PRO A 20 -14.912 0.578 6.765 1.00 0.00 N ATOM 262 CA PRO A 20 -15.938 1.269 7.551 1.00 0.00 C ATOM 263 C PRO A 20 -15.339 2.123 8.663 1.00 0.00 C ATOM 264 O PRO A 20 -14.120 2.216 8.797 1.00 0.00 O ATOM 265 CB PRO A 20 -16.763 0.123 8.142 1.00 0.00 C ATOM 266 CG PRO A 20 -15.827 -1.035 8.185 1.00 0.00 C ATOM 267 CD PRO A 20 -14.918 -0.876 6.998 1.00 0.00 C ATOM 0 HA PRO A 20 -16.520 1.962 6.943 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.130 0.372 9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.635 -0.096 7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.258 -1.042 9.114 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.371 -1.978 8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.917 -1.254 7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.291 -1.420 6.130 1.00 0.00 H new ATOM 275 N GLU A 21 -16.206 2.744 9.457 1.00 0.00 N ATOM 276 CA GLU A 21 -15.760 3.591 10.558 1.00 0.00 C ATOM 277 C GLU A 21 -15.645 2.788 11.850 1.00 0.00 C ATOM 278 O GLU A 21 -15.617 3.353 12.944 1.00 0.00 O ATOM 279 CB GLU A 21 -16.729 4.759 10.755 1.00 0.00 C ATOM 280 CG GLU A 21 -18.162 4.326 11.009 1.00 0.00 C ATOM 281 CD GLU A 21 -19.091 5.498 11.258 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.393 6.230 10.292 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.516 5.684 12.417 1.00 0.00 O ATOM 0 H GLU A 21 -17.219 2.677 9.359 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.775 3.983 10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.388 5.365 11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.702 5.395 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.523 3.757 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.188 3.657 11.869 1.00 0.00 H new ATOM 290 N ASP A 22 -15.578 1.468 11.715 1.00 0.00 N ATOM 291 CA ASP A 22 -15.465 0.586 12.871 1.00 0.00 C ATOM 292 C ASP A 22 -14.051 0.027 12.992 1.00 0.00 C ATOM 293 O ASP A 22 -13.695 -0.573 14.007 1.00 0.00 O ATOM 294 CB ASP A 22 -16.473 -0.559 12.766 1.00 0.00 C ATOM 295 CG ASP A 22 -17.818 -0.204 13.368 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.872 0.051 14.589 1.00 0.00 O ATOM 297 OD2 ASP A 22 -18.817 -0.182 12.618 1.00 0.00 O ATOM 0 H ASP A 22 -15.600 0.985 10.817 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.683 1.170 13.765 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.607 -0.826 11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.073 -1.438 13.271 1.00 0.00 H new ATOM 302 N ILE A 23 -13.250 0.227 11.950 1.00 0.00 N ATOM 303 CA ILE A 23 -11.876 -0.257 11.940 1.00 0.00 C ATOM 304 C ILE A 23 -10.897 0.858 12.289 1.00 0.00 C ATOM 305 O ILE A 23 -11.134 2.025 11.978 1.00 0.00 O ATOM 306 CB ILE A 23 -11.497 -0.847 10.568 1.00 0.00 C ATOM 307 CG1 ILE A 23 -12.734 -1.423 9.877 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.426 -1.916 10.729 1.00 0.00 C ATOM 309 CD1 ILE A 23 -13.586 -2.284 10.783 1.00 0.00 C ATOM 0 H ILE A 23 -13.530 0.721 11.102 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.813 -1.041 12.694 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.095 -0.049 9.944 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.341 -0.603 9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.418 -2.015 9.018 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.169 -2.323 9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.538 -1.476 11.184 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.803 -2.715 11.367 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.445 -2.658 10.227 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.995 -3.125 11.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.932 -1.690 11.629 1.00 0.00 H new ATOM 321 N GLU A 24 -9.796 0.491 12.937 1.00 0.00 N ATOM 322 CA GLU A 24 -8.780 1.462 13.328 1.00 0.00 C ATOM 323 C GLU A 24 -7.559 1.369 12.417 1.00 0.00 C ATOM 324 O GLU A 24 -6.788 0.411 12.490 1.00 0.00 O ATOM 325 CB GLU A 24 -8.363 1.240 14.783 1.00 0.00 C ATOM 326 CG GLU A 24 -7.056 1.920 15.152 1.00 0.00 C ATOM 327 CD GLU A 24 -6.797 1.914 16.647 1.00 0.00 C ATOM 328 OE1 GLU A 24 -6.216 0.928 17.145 1.00 0.00 O ATOM 329 OE2 GLU A 24 -7.175 2.897 17.317 1.00 0.00 O ATOM 0 H GLU A 24 -9.585 -0.471 13.202 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.210 2.459 13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.152 1.608 15.438 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.270 0.170 14.966 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.233 1.418 14.642 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.073 2.949 14.794 1.00 0.00 H new ATOM 336 N LEU A 25 -7.390 2.369 11.560 1.00 0.00 N ATOM 337 CA LEU A 25 -6.264 2.401 10.634 1.00 0.00 C ATOM 338 C LEU A 25 -4.997 2.883 11.334 1.00 0.00 C ATOM 339 O LEU A 25 -4.901 4.041 11.739 1.00 0.00 O ATOM 340 CB LEU A 25 -6.580 3.310 9.445 1.00 0.00 C ATOM 341 CG LEU A 25 -7.594 2.767 8.437 1.00 0.00 C ATOM 342 CD1 LEU A 25 -8.041 3.866 7.485 1.00 0.00 C ATOM 343 CD2 LEU A 25 -7.004 1.597 7.664 1.00 0.00 C ATOM 0 H LEU A 25 -8.019 3.169 11.487 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.095 1.387 10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.952 4.260 9.828 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.650 3.521 8.917 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.467 2.411 8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.762 3.461 6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.504 4.673 8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.177 4.252 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.740 1.224 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.114 1.927 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.735 0.801 8.358 1.00 0.00 H new ATOM 355 N LYS A 26 -4.025 1.987 11.470 1.00 0.00 N ATOM 356 CA LYS A 26 -2.762 2.320 12.118 1.00 0.00 C ATOM 357 C LYS A 26 -1.772 2.900 11.112 1.00 0.00 C ATOM 358 O LYS A 26 -1.678 2.453 9.969 1.00 0.00 O ATOM 359 CB LYS A 26 -2.163 1.079 12.782 1.00 0.00 C ATOM 360 CG LYS A 26 -2.910 0.635 14.028 1.00 0.00 C ATOM 361 CD LYS A 26 -2.806 -0.866 14.235 1.00 0.00 C ATOM 362 CE LYS A 26 -3.911 -1.608 13.498 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.785 -3.084 13.648 1.00 0.00 N ATOM 0 H LYS A 26 -4.088 1.024 11.140 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.961 3.072 12.882 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.155 0.260 12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.125 1.283 13.044 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.507 1.152 14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.959 0.920 13.945 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.835 -1.216 13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.862 -1.092 15.300 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.880 -1.286 13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.881 -1.347 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.556 -3.553 13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.871 -3.395 13.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.840 -3.336 14.655 1.00 0.00 H new ATOM 377 N PRO A 27 -1.014 3.918 11.546 1.00 0.00 N ATOM 378 CA PRO A 27 -0.016 4.578 10.700 1.00 0.00 C ATOM 379 C PRO A 27 1.183 3.681 10.409 1.00 0.00 C ATOM 380 O PRO A 27 2.113 3.591 11.211 1.00 0.00 O ATOM 381 CB PRO A 27 0.412 5.788 11.535 1.00 0.00 C ATOM 382 CG PRO A 27 0.139 5.391 12.945 1.00 0.00 C ATOM 383 CD PRO A 27 -1.072 4.501 12.897 1.00 0.00 C ATOM 0 HA PRO A 27 -0.420 4.839 9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.467 6.019 11.386 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.151 6.679 11.258 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.992 4.866 13.375 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.044 6.266 13.568 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.036 3.732 13.668 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.992 5.065 13.052 1.00 0.00 H new ATOM 391 N LEU A 28 1.154 3.020 9.257 1.00 0.00 N ATOM 392 CA LEU A 28 2.239 2.130 8.860 1.00 0.00 C ATOM 393 C LEU A 28 3.492 2.923 8.501 1.00 0.00 C ATOM 394 O LEU A 28 4.608 2.519 8.822 1.00 0.00 O ATOM 395 CB LEU A 28 1.810 1.269 7.670 1.00 0.00 C ATOM 396 CG LEU A 28 2.927 0.819 6.729 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.494 -0.402 5.931 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.328 1.953 5.797 1.00 0.00 C ATOM 0 H LEU A 28 0.392 3.083 8.582 1.00 0.00 H new ATOM 0 HA LEU A 28 2.471 1.482 9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.305 0.382 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.076 1.828 7.089 1.00 0.00 H new ATOM 0 HG LEU A 28 3.794 0.545 7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.302 -0.708 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.257 -1.218 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.612 -0.156 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.124 1.615 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.466 2.258 5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.681 2.800 6.385 1.00 0.00 H new ATOM 410 N GLY A 29 3.297 4.058 7.836 1.00 0.00 N ATOM 411 CA GLY A 29 4.419 4.892 7.447 1.00 0.00 C ATOM 412 C GLY A 29 4.005 6.037 6.544 1.00 0.00 C ATOM 413 O GLY A 29 2.896 6.558 6.660 1.00 0.00 O ATOM 0 H GLY A 29 2.382 4.414 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.897 5.293 8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.162 4.280 6.935 1.00 0.00 H new ATOM 417 N MET A 30 4.899 6.431 5.643 1.00 0.00 N ATOM 418 CA MET A 30 4.620 7.523 4.717 1.00 0.00 C ATOM 419 C MET A 30 5.456 7.387 3.449 1.00 0.00 C ATOM 420 O MET A 30 6.629 7.015 3.503 1.00 0.00 O ATOM 421 CB MET A 30 4.901 8.871 5.385 1.00 0.00 C ATOM 422 CG MET A 30 5.248 9.975 4.400 1.00 0.00 C ATOM 423 SD MET A 30 7.019 10.090 4.082 1.00 0.00 S ATOM 424 CE MET A 30 7.498 11.336 5.276 1.00 0.00 C ATOM 0 H MET A 30 5.822 6.011 5.534 1.00 0.00 H new ATOM 0 HA MET A 30 3.566 7.474 4.443 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.026 9.171 5.962 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.723 8.753 6.091 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.725 9.796 3.461 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.890 10.929 4.788 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.519 11.659 5.075 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.825 12.190 5.200 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.442 10.918 6.281 1.00 0.00 H new ATOM 434 N VAL A 31 4.845 7.689 2.307 1.00 0.00 N ATOM 435 CA VAL A 31 5.534 7.601 1.025 1.00 0.00 C ATOM 436 C VAL A 31 6.918 8.235 1.100 1.00 0.00 C ATOM 437 O VAL A 31 7.051 9.430 1.363 1.00 0.00 O ATOM 438 CB VAL A 31 4.727 8.287 -0.093 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.457 8.177 -1.423 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.333 7.685 -0.190 1.00 0.00 C ATOM 0 H VAL A 31 3.875 7.997 2.244 1.00 0.00 H new ATOM 0 HA VAL A 31 5.636 6.541 0.792 1.00 0.00 H new ATOM 0 HB VAL A 31 4.625 9.344 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.872 8.667 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.432 8.659 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.592 7.126 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.777 8.182 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.411 6.621 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.811 7.821 0.757 1.00 0.00 H new ATOM 450 N SER A 32 7.947 7.426 0.867 1.00 0.00 N ATOM 451 CA SER A 32 9.323 7.907 0.911 1.00 0.00 C ATOM 452 C SER A 32 9.873 8.108 -0.498 1.00 0.00 C ATOM 453 O SER A 32 10.636 9.041 -0.751 1.00 0.00 O ATOM 454 CB SER A 32 10.205 6.922 1.680 1.00 0.00 C ATOM 455 OG SER A 32 9.749 5.591 1.513 1.00 0.00 O ATOM 0 H SER A 32 7.854 6.435 0.646 1.00 0.00 H new ATOM 0 HA SER A 32 9.330 8.868 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.235 7.003 1.332 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.205 7.179 2.739 1.00 0.00 H new ATOM 0 HG SER A 32 10.474 4.968 1.726 1.00 0.00 H new ATOM 461 N SER A 33 9.482 7.225 -1.411 1.00 0.00 N ATOM 462 CA SER A 33 9.939 7.301 -2.794 1.00 0.00 C ATOM 463 C SER A 33 8.918 6.674 -3.738 1.00 0.00 C ATOM 464 O SER A 33 7.941 6.066 -3.299 1.00 0.00 O ATOM 465 CB SER A 33 11.290 6.601 -2.946 1.00 0.00 C ATOM 466 OG SER A 33 12.062 7.199 -3.972 1.00 0.00 O ATOM 0 H SER A 33 8.850 6.448 -1.218 1.00 0.00 H new ATOM 0 HA SER A 33 10.052 8.353 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.835 6.647 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.133 5.546 -3.172 1.00 0.00 H new ATOM 0 HG SER A 33 12.921 6.734 -4.048 1.00 0.00 H new ATOM 472 N ILE A 34 9.152 6.827 -5.037 1.00 0.00 N ATOM 473 CA ILE A 34 8.254 6.275 -6.045 1.00 0.00 C ATOM 474 C ILE A 34 9.033 5.554 -7.139 1.00 0.00 C ATOM 475 O ILE A 34 9.934 6.126 -7.754 1.00 0.00 O ATOM 476 CB ILE A 34 7.386 7.373 -6.687 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.299 7.830 -5.712 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.766 6.868 -7.981 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.724 8.984 -4.831 1.00 0.00 C ATOM 0 H ILE A 34 9.955 7.328 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 34 7.606 5.563 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 34 8.021 8.228 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.414 8.122 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.011 6.989 -5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.155 7.655 -8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.556 6.587 -8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.142 5.999 -7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.904 9.255 -4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.590 8.690 -4.238 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.984 9.840 -5.453 1.00 0.00 H new ATOM 491 N ILE A 35 8.679 4.295 -7.378 1.00 0.00 N ATOM 492 CA ILE A 35 9.344 3.497 -8.401 1.00 0.00 C ATOM 493 C ILE A 35 8.700 3.708 -9.767 1.00 0.00 C ATOM 494 O ILE A 35 7.529 4.071 -9.862 1.00 0.00 O ATOM 495 CB ILE A 35 9.307 1.996 -8.055 1.00 0.00 C ATOM 496 CG1 ILE A 35 10.039 1.736 -6.737 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.923 1.178 -9.180 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.798 0.353 -6.174 1.00 0.00 C ATOM 0 H ILE A 35 7.936 3.806 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 35 10.382 3.829 -8.436 1.00 0.00 H new ATOM 0 HB ILE A 35 8.267 1.691 -7.937 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.109 1.875 -6.892 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.724 2.478 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.890 0.120 -8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.362 1.344 -10.100 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.959 1.483 -9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.348 0.240 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.733 0.217 -5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.139 -0.395 -6.889 1.00 0.00 H new ATOM 510 N GLU A 36 9.475 3.476 -10.822 1.00 0.00 N ATOM 511 CA GLU A 36 8.980 3.640 -12.184 1.00 0.00 C ATOM 512 C GLU A 36 7.505 3.258 -12.276 1.00 0.00 C ATOM 513 O GLU A 36 6.697 3.995 -12.840 1.00 0.00 O ATOM 514 CB GLU A 36 9.801 2.790 -13.155 1.00 0.00 C ATOM 515 CG GLU A 36 11.242 2.587 -12.718 1.00 0.00 C ATOM 516 CD GLU A 36 11.415 1.376 -11.822 1.00 0.00 C ATOM 517 OE1 GLU A 36 10.586 0.446 -11.916 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.378 1.357 -11.028 1.00 0.00 O ATOM 0 H GLU A 36 10.447 3.174 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 36 9.083 4.690 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.323 1.817 -13.266 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.791 3.263 -14.137 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.873 2.475 -13.600 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.587 3.477 -12.191 1.00 0.00 H new ATOM 525 N GLN A 37 7.165 2.100 -11.719 1.00 0.00 N ATOM 526 CA GLN A 37 5.788 1.619 -11.739 1.00 0.00 C ATOM 527 C GLN A 37 5.260 1.421 -10.322 1.00 0.00 C ATOM 528 O GLN A 37 4.068 1.592 -10.064 1.00 0.00 O ATOM 529 CB GLN A 37 5.697 0.306 -12.519 1.00 0.00 C ATOM 530 CG GLN A 37 6.915 -0.587 -12.352 1.00 0.00 C ATOM 531 CD GLN A 37 6.968 -1.700 -13.379 1.00 0.00 C ATOM 532 OE1 GLN A 37 6.041 -2.503 -13.491 1.00 0.00 O ATOM 533 NE2 GLN A 37 8.057 -1.755 -14.138 1.00 0.00 N ATOM 0 H GLN A 37 7.823 1.478 -11.249 1.00 0.00 H new ATOM 0 HA GLN A 37 5.173 2.371 -12.234 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.810 -0.239 -12.195 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.564 0.530 -13.577 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.818 0.018 -12.431 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.908 -1.021 -11.352 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.802 -1.069 -14.012 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.148 -2.483 -14.847 1.00 0.00 H new ATOM 542 N LEU A 38 6.153 1.058 -9.408 1.00 0.00 N ATOM 543 CA LEU A 38 5.776 0.836 -8.017 1.00 0.00 C ATOM 544 C LEU A 38 6.045 2.079 -7.175 1.00 0.00 C ATOM 545 O LEU A 38 6.585 3.070 -7.667 1.00 0.00 O ATOM 546 CB LEU A 38 6.544 -0.357 -7.444 1.00 0.00 C ATOM 547 CG LEU A 38 6.513 -1.638 -8.279 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.237 -1.707 -9.103 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.737 -1.718 -9.179 1.00 0.00 C ATOM 0 H LEU A 38 7.143 0.911 -9.605 1.00 0.00 H new ATOM 0 HA LEU A 38 4.708 0.622 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.584 -0.062 -7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.143 -0.581 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 38 6.530 -2.491 -7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.233 -2.625 -9.691 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.373 -1.698 -8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.189 -0.848 -9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.698 -2.636 -9.766 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.752 -0.859 -9.850 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.639 -1.717 -8.567 1.00 0.00 H new ATOM 561 N VAL A 39 5.666 2.019 -5.902 1.00 0.00 N ATOM 562 CA VAL A 39 5.869 3.139 -4.990 1.00 0.00 C ATOM 563 C VAL A 39 6.532 2.681 -3.696 1.00 0.00 C ATOM 564 O VAL A 39 6.208 1.618 -3.164 1.00 0.00 O ATOM 565 CB VAL A 39 4.537 3.836 -4.653 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.758 4.945 -3.636 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.888 4.382 -5.916 1.00 0.00 C ATOM 0 H VAL A 39 5.217 1.207 -5.479 1.00 0.00 H new ATOM 0 HA VAL A 39 6.523 3.847 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 39 3.863 3.101 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.806 5.426 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.177 4.523 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.449 5.682 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.948 4.871 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.556 5.104 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.694 3.563 -6.609 1.00 0.00 H new ATOM 577 N ILE A 40 7.460 3.489 -3.195 1.00 0.00 N ATOM 578 CA ILE A 40 8.167 3.167 -1.962 1.00 0.00 C ATOM 579 C ILE A 40 7.543 3.881 -0.768 1.00 0.00 C ATOM 580 O ILE A 40 7.227 5.069 -0.839 1.00 0.00 O ATOM 581 CB ILE A 40 9.657 3.546 -2.052 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.281 2.952 -3.316 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.400 3.069 -0.813 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.323 1.440 -3.316 1.00 0.00 C ATOM 0 H ILE A 40 7.740 4.371 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 40 8.083 2.089 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 40 9.739 4.632 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.716 3.292 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.295 3.336 -3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.452 3.344 -0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.968 3.535 0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.313 1.986 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.778 1.089 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.912 1.092 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.309 1.048 -3.238 1.00 0.00 H new ATOM 596 N ILE A 41 7.371 3.151 0.328 1.00 0.00 N ATOM 597 CA ILE A 41 6.788 3.716 1.539 1.00 0.00 C ATOM 598 C ILE A 41 7.656 3.419 2.757 1.00 0.00 C ATOM 599 O ILE A 41 7.852 2.261 3.125 1.00 0.00 O ATOM 600 CB ILE A 41 5.370 3.170 1.789 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.456 3.504 0.607 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.803 3.740 3.081 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.307 2.535 0.440 1.00 0.00 C ATOM 0 H ILE A 41 7.627 2.166 0.403 1.00 0.00 H new ATOM 0 HA ILE A 41 6.732 4.794 1.389 1.00 0.00 H new ATOM 0 HB ILE A 41 5.426 2.086 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.057 4.509 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.048 3.514 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.800 3.345 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.444 3.457 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.758 4.827 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.701 2.833 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.699 1.531 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.692 2.542 1.340 1.00 0.00 H new ATOM 615 N GLU A 42 8.173 4.474 3.380 1.00 0.00 N ATOM 616 CA GLU A 42 9.020 4.326 4.558 1.00 0.00 C ATOM 617 C GLU A 42 8.175 4.215 5.824 1.00 0.00 C ATOM 618 O GLU A 42 7.200 4.946 5.999 1.00 0.00 O ATOM 619 CB GLU A 42 9.981 5.511 4.675 1.00 0.00 C ATOM 620 CG GLU A 42 10.715 5.570 6.003 1.00 0.00 C ATOM 621 CD GLU A 42 11.484 6.864 6.188 1.00 0.00 C ATOM 622 OE1 GLU A 42 12.451 7.093 5.431 1.00 0.00 O ATOM 623 OE2 GLU A 42 11.119 7.647 7.089 1.00 0.00 O ATOM 0 H GLU A 42 8.020 5.440 3.089 1.00 0.00 H new ATOM 0 HA GLU A 42 9.598 3.409 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.711 5.457 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.422 6.436 4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.997 5.459 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.405 4.729 6.070 1.00 0.00 H new ATOM 630 N SER A 43 8.558 3.296 6.705 1.00 0.00 N ATOM 631 CA SER A 43 7.834 3.086 7.953 1.00 0.00 C ATOM 632 C SER A 43 8.419 3.943 9.071 1.00 0.00 C ATOM 633 O SER A 43 9.451 4.591 8.896 1.00 0.00 O ATOM 634 CB SER A 43 7.879 1.609 8.351 1.00 0.00 C ATOM 635 OG SER A 43 9.206 1.197 8.630 1.00 0.00 O ATOM 0 H SER A 43 9.365 2.685 6.577 1.00 0.00 H new ATOM 0 HA SER A 43 6.797 3.382 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.252 1.446 9.228 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.467 1.000 7.547 1.00 0.00 H new ATOM 0 HG SER A 43 9.705 1.110 7.791 1.00 0.00 H new ATOM 641 N MET A 44 7.751 3.942 10.220 1.00 0.00 N ATOM 642 CA MET A 44 8.205 4.719 11.368 1.00 0.00 C ATOM 643 C MET A 44 8.589 3.804 12.526 1.00 0.00 C ATOM 644 O MET A 44 9.767 3.664 12.857 1.00 0.00 O ATOM 645 CB MET A 44 7.114 5.694 11.814 1.00 0.00 C ATOM 646 CG MET A 44 6.359 6.332 10.658 1.00 0.00 C ATOM 647 SD MET A 44 7.193 7.790 10.004 1.00 0.00 S ATOM 648 CE MET A 44 6.437 7.915 8.386 1.00 0.00 C ATOM 0 H MET A 44 6.894 3.412 10.381 1.00 0.00 H new ATOM 0 HA MET A 44 9.087 5.284 11.067 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.406 5.166 12.453 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.566 6.480 12.420 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.237 5.599 9.860 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.359 6.609 10.991 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.042 8.562 7.751 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.372 6.924 7.937 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.436 8.336 8.484 1.00 0.00 H new ATOM 658 N THR A 45 7.588 3.182 13.141 1.00 0.00 N ATOM 659 CA THR A 45 7.821 2.281 14.263 1.00 0.00 C ATOM 660 C THR A 45 6.525 1.617 14.713 1.00 0.00 C ATOM 661 O THR A 45 5.449 1.923 14.201 1.00 0.00 O ATOM 662 CB THR A 45 8.446 3.024 15.459 1.00 0.00 C ATOM 663 OG1 THR A 45 8.695 2.107 16.530 1.00 0.00 O ATOM 664 CG2 THR A 45 7.530 4.139 15.942 1.00 0.00 C ATOM 0 H THR A 45 6.607 3.286 12.881 1.00 0.00 H new ATOM 0 HA THR A 45 8.516 1.517 13.916 1.00 0.00 H new ATOM 0 HB THR A 45 9.388 3.465 15.132 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.094 2.587 17.286 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.992 4.649 16.787 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.366 4.851 15.133 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.574 3.716 16.252 1.00 0.00 H new ATOM 672 N ASN A 46 6.636 0.705 15.674 1.00 0.00 N ATOM 673 CA ASN A 46 5.471 -0.003 16.193 1.00 0.00 C ATOM 674 C ASN A 46 4.678 -0.649 15.062 1.00 0.00 C ATOM 675 O ASN A 46 3.451 -0.736 15.119 1.00 0.00 O ATOM 676 CB ASN A 46 4.573 0.956 16.978 1.00 0.00 C ATOM 677 CG ASN A 46 3.728 0.239 18.013 1.00 0.00 C ATOM 678 OD1 ASN A 46 4.072 0.204 19.195 1.00 0.00 O ATOM 679 ND2 ASN A 46 2.615 -0.336 17.573 1.00 0.00 N ATOM 0 H ASN A 46 7.520 0.439 16.109 1.00 0.00 H new ATOM 0 HA ASN A 46 5.823 -0.789 16.861 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.191 1.705 17.473 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.921 1.488 16.285 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.006 -0.832 18.223 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.369 -0.282 16.585 1.00 0.00 H new ATOM 686 N LEU A 47 5.387 -1.102 14.033 1.00 0.00 N ATOM 687 CA LEU A 47 4.751 -1.742 12.887 1.00 0.00 C ATOM 688 C LEU A 47 4.501 -3.222 13.159 1.00 0.00 C ATOM 689 O LEU A 47 5.397 -3.964 13.563 1.00 0.00 O ATOM 690 CB LEU A 47 5.621 -1.580 11.640 1.00 0.00 C ATOM 691 CG LEU A 47 5.415 -0.294 10.839 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.328 0.808 11.354 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.659 -0.543 9.358 1.00 0.00 C ATOM 0 H LEU A 47 6.403 -1.038 13.969 1.00 0.00 H new ATOM 0 HA LEU A 47 3.790 -1.256 12.717 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.667 -1.632 11.942 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.437 -2.428 10.981 1.00 0.00 H new ATOM 0 HG LEU A 47 4.382 0.029 10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.167 1.715 10.772 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.105 1.005 12.402 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.367 0.494 11.257 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.508 0.383 8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.681 -0.891 9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.963 -1.300 8.997 1.00 0.00 H new ATOM 705 N PRO A 48 3.255 -3.663 12.931 1.00 0.00 N ATOM 706 CA PRO A 48 2.859 -5.059 13.142 1.00 0.00 C ATOM 707 C PRO A 48 3.485 -6.000 12.119 1.00 0.00 C ATOM 708 O PRO A 48 3.871 -5.596 11.022 1.00 0.00 O ATOM 709 CB PRO A 48 1.338 -5.025 12.976 1.00 0.00 C ATOM 710 CG PRO A 48 1.078 -3.845 12.105 1.00 0.00 C ATOM 711 CD PRO A 48 2.138 -2.835 12.449 1.00 0.00 C ATOM 0 HA PRO A 48 3.188 -5.434 14.111 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.969 -5.943 12.519 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.837 -4.924 13.939 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.128 -4.119 11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.081 -3.441 12.283 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.424 -2.241 11.581 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.796 -2.138 13.214 1.00 0.00 H new ATOM 719 N PRO A 49 3.589 -7.287 12.483 1.00 0.00 N ATOM 720 CA PRO A 49 4.167 -8.313 11.610 1.00 0.00 C ATOM 721 C PRO A 49 3.277 -8.622 10.411 1.00 0.00 C ATOM 722 O PRO A 49 2.541 -9.609 10.410 1.00 0.00 O ATOM 723 CB PRO A 49 4.277 -9.536 12.524 1.00 0.00 C ATOM 724 CG PRO A 49 3.232 -9.326 13.565 1.00 0.00 C ATOM 725 CD PRO A 49 3.149 -7.840 13.775 1.00 0.00 C ATOM 0 HA PRO A 49 5.119 -7.996 11.183 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.105 -10.460 11.972 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.269 -9.610 12.969 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.272 -9.728 13.241 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.496 -9.837 14.491 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.135 -7.525 14.022 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.792 -7.513 14.592 1.00 0.00 H new ATOM 733 N VAL A 50 3.349 -7.773 9.391 1.00 0.00 N ATOM 734 CA VAL A 50 2.551 -7.956 8.185 1.00 0.00 C ATOM 735 C VAL A 50 3.419 -8.404 7.015 1.00 0.00 C ATOM 736 O VAL A 50 4.556 -7.957 6.865 1.00 0.00 O ATOM 737 CB VAL A 50 1.813 -6.661 7.797 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.578 -6.470 8.664 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.745 -5.464 7.910 1.00 0.00 C ATOM 0 H VAL A 50 3.953 -6.951 9.376 1.00 0.00 H new ATOM 0 HA VAL A 50 1.817 -8.730 8.406 1.00 0.00 H new ATOM 0 HB VAL A 50 1.489 -6.744 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.070 -5.550 8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.096 -7.315 8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.875 -6.407 9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.208 -4.557 7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.100 -5.375 8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.596 -5.601 7.242 1.00 0.00 H new ATOM 749 N ASN A 51 2.875 -9.289 6.186 1.00 0.00 N ATOM 750 CA ASN A 51 3.600 -9.798 5.027 1.00 0.00 C ATOM 751 C ASN A 51 3.125 -9.119 3.747 1.00 0.00 C ATOM 752 O ASN A 51 2.217 -8.288 3.774 1.00 0.00 O ATOM 753 CB ASN A 51 3.420 -11.313 4.912 1.00 0.00 C ATOM 754 CG ASN A 51 3.581 -12.018 6.245 1.00 0.00 C ATOM 755 OD1 ASN A 51 4.545 -11.780 6.973 1.00 0.00 O ATOM 756 ND2 ASN A 51 2.635 -12.890 6.570 1.00 0.00 N ATOM 0 H ASN A 51 1.935 -9.669 6.295 1.00 0.00 H new ATOM 0 HA ASN A 51 4.658 -9.574 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.431 -11.529 4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.148 -11.710 4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.689 -13.395 7.455 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.854 -13.055 5.935 1.00 0.00 H new ATOM 763 N GLU A 52 3.744 -9.479 2.627 1.00 0.00 N ATOM 764 CA GLU A 52 3.383 -8.904 1.336 1.00 0.00 C ATOM 765 C GLU A 52 1.876 -8.979 1.109 1.00 0.00 C ATOM 766 O GLU A 52 1.227 -7.967 0.846 1.00 0.00 O ATOM 767 CB GLU A 52 4.117 -9.630 0.207 1.00 0.00 C ATOM 768 CG GLU A 52 5.618 -9.729 0.421 1.00 0.00 C ATOM 769 CD GLU A 52 6.012 -10.951 1.227 1.00 0.00 C ATOM 770 OE1 GLU A 52 5.630 -12.072 0.832 1.00 0.00 O ATOM 771 OE2 GLU A 52 6.705 -10.786 2.253 1.00 0.00 O ATOM 0 H GLU A 52 4.497 -10.166 2.587 1.00 0.00 H new ATOM 0 HA GLU A 52 3.680 -7.855 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.706 -10.634 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.926 -9.111 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.118 -9.760 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.968 -8.832 0.932 1.00 0.00 H new ATOM 778 N GLU A 53 1.327 -10.185 1.213 1.00 0.00 N ATOM 779 CA GLU A 53 -0.103 -10.392 1.018 1.00 0.00 C ATOM 780 C GLU A 53 -0.910 -9.287 1.693 1.00 0.00 C ATOM 781 O GLU A 53 -2.034 -8.987 1.288 1.00 0.00 O ATOM 782 CB GLU A 53 -0.524 -11.756 1.570 1.00 0.00 C ATOM 783 CG GLU A 53 -0.419 -12.882 0.556 1.00 0.00 C ATOM 784 CD GLU A 53 0.996 -13.409 0.413 1.00 0.00 C ATOM 785 OE1 GLU A 53 1.750 -12.864 -0.421 1.00 0.00 O ATOM 786 OE2 GLU A 53 1.349 -14.365 1.133 1.00 0.00 O ATOM 0 H GLU A 53 1.850 -11.033 1.431 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.305 -10.363 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.097 -11.997 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.553 -11.693 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.078 -13.697 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.770 -12.527 -0.413 1.00 0.00 H new ATOM 793 N THR A 54 -0.329 -8.685 2.725 1.00 0.00 N ATOM 794 CA THR A 54 -0.993 -7.614 3.458 1.00 0.00 C ATOM 795 C THR A 54 -1.359 -6.459 2.533 1.00 0.00 C ATOM 796 O THR A 54 -0.551 -6.029 1.711 1.00 0.00 O ATOM 797 CB THR A 54 -0.107 -7.081 4.600 1.00 0.00 C ATOM 798 OG1 THR A 54 0.259 -8.152 5.477 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.831 -6.000 5.387 1.00 0.00 C ATOM 0 H THR A 54 0.601 -8.921 3.073 1.00 0.00 H new ATOM 0 HA THR A 54 -1.903 -8.039 3.882 1.00 0.00 H new ATOM 0 HB THR A 54 0.792 -6.648 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.824 -8.791 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.186 -5.639 6.188 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.082 -5.173 4.723 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.745 -6.412 5.815 1.00 0.00 H new ATOM 807 N VAL A 55 -2.583 -5.960 2.674 1.00 0.00 N ATOM 808 CA VAL A 55 -3.056 -4.853 1.851 1.00 0.00 C ATOM 809 C VAL A 55 -2.814 -3.514 2.540 1.00 0.00 C ATOM 810 O VAL A 55 -2.946 -3.399 3.759 1.00 0.00 O ATOM 811 CB VAL A 55 -4.557 -4.991 1.534 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.989 -3.936 0.527 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.867 -6.388 1.020 1.00 0.00 C ATOM 0 H VAL A 55 -3.265 -6.305 3.350 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.491 -4.887 0.919 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.120 -4.834 2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.052 -4.049 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.804 -2.943 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.420 -4.058 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.932 -6.467 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.295 -6.577 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.597 -7.123 1.778 1.00 0.00 H new ATOM 823 N ILE A 56 -2.461 -2.505 1.751 1.00 0.00 N ATOM 824 CA ILE A 56 -2.202 -1.174 2.285 1.00 0.00 C ATOM 825 C ILE A 56 -3.371 -0.234 2.009 1.00 0.00 C ATOM 826 O ILE A 56 -3.750 -0.019 0.858 1.00 0.00 O ATOM 827 CB ILE A 56 -0.919 -0.567 1.688 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.266 -1.511 1.904 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.638 0.794 2.307 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.660 -1.663 3.356 1.00 0.00 C ATOM 0 H ILE A 56 -2.348 -2.584 0.740 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.074 -1.286 3.362 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.063 -0.434 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.017 -2.492 1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.122 -1.141 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.272 1.210 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.474 1.464 2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.511 0.685 3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.506 -2.346 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.940 -0.690 3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.182 -2.062 3.922 1.00 0.00 H new ATOM 842 N PHE A 57 -3.938 0.324 3.073 1.00 0.00 N ATOM 843 CA PHE A 57 -5.064 1.242 2.946 1.00 0.00 C ATOM 844 C PHE A 57 -4.588 2.692 2.965 1.00 0.00 C ATOM 845 O PHE A 57 -3.643 3.039 3.674 1.00 0.00 O ATOM 846 CB PHE A 57 -6.069 1.009 4.076 1.00 0.00 C ATOM 847 CG PHE A 57 -6.916 -0.216 3.882 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.329 -1.451 3.654 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.298 -0.134 3.926 1.00 0.00 C ATOM 850 CE1 PHE A 57 -7.105 -2.580 3.474 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.080 -1.260 3.748 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.482 -2.484 3.522 1.00 0.00 C ATOM 0 H PHE A 57 -3.636 0.157 4.033 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.551 1.050 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.529 0.922 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.718 1.880 4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.253 -1.532 3.617 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.770 0.821 4.102 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.635 -3.536 3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.157 -1.183 3.786 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.090 -3.365 3.383 1.00 0.00 H new ATOM 862 N LYS A 58 -5.250 3.536 2.180 1.00 0.00 N ATOM 863 CA LYS A 58 -4.897 4.948 2.105 1.00 0.00 C ATOM 864 C LYS A 58 -5.527 5.728 3.255 1.00 0.00 C ATOM 865 O LYS A 58 -6.380 5.210 3.975 1.00 0.00 O ATOM 866 CB LYS A 58 -5.350 5.538 0.767 1.00 0.00 C ATOM 867 CG LYS A 58 -4.365 5.304 -0.365 1.00 0.00 C ATOM 868 CD LYS A 58 -5.071 5.199 -1.706 1.00 0.00 C ATOM 869 CE LYS A 58 -6.050 6.345 -1.911 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.799 6.212 -3.192 1.00 0.00 N ATOM 0 H LYS A 58 -6.034 3.266 1.587 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.813 5.030 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.312 5.104 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.506 6.610 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.644 6.121 -0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.803 4.389 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.333 5.201 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.603 4.249 -1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.754 6.374 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.509 7.291 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.584 7.024 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.516 5.333 -3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.820 6.186 -2.996 1.00 0.00 H new ATOM 884 N SER A 59 -5.101 6.976 3.421 1.00 0.00 N ATOM 885 CA SER A 59 -5.622 7.827 4.485 1.00 0.00 C ATOM 886 C SER A 59 -7.132 7.997 4.354 1.00 0.00 C ATOM 887 O SER A 59 -7.834 8.199 5.345 1.00 0.00 O ATOM 888 CB SER A 59 -4.938 9.195 4.454 1.00 0.00 C ATOM 889 OG SER A 59 -5.502 10.024 3.453 1.00 0.00 O ATOM 0 H SER A 59 -4.396 7.421 2.832 1.00 0.00 H new ATOM 0 HA SER A 59 -5.410 7.345 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.036 9.676 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.872 9.068 4.267 1.00 0.00 H new ATOM 0 HG SER A 59 -5.049 10.893 3.454 1.00 0.00 H new ATOM 895 N ASP A 60 -7.626 7.915 3.123 1.00 0.00 N ATOM 896 CA ASP A 60 -9.053 8.059 2.861 1.00 0.00 C ATOM 897 C ASP A 60 -9.760 6.709 2.942 1.00 0.00 C ATOM 898 O ASP A 60 -10.835 6.525 2.371 1.00 0.00 O ATOM 899 CB ASP A 60 -9.280 8.685 1.484 1.00 0.00 C ATOM 900 CG ASP A 60 -8.847 10.137 1.430 1.00 0.00 C ATOM 901 OD1 ASP A 60 -9.661 11.013 1.791 1.00 0.00 O ATOM 902 OD2 ASP A 60 -7.694 10.398 1.028 1.00 0.00 O ATOM 0 H ASP A 60 -7.059 7.750 2.291 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.472 8.715 3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.729 8.117 0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.337 8.614 1.225 1.00 0.00 H new ATOM 907 N ARG A 61 -9.148 5.768 3.654 1.00 0.00 N ATOM 908 CA ARG A 61 -9.717 4.435 3.807 1.00 0.00 C ATOM 909 C ARG A 61 -9.941 3.780 2.448 1.00 0.00 C ATOM 910 O ARG A 61 -11.019 3.253 2.172 1.00 0.00 O ATOM 911 CB ARG A 61 -11.038 4.506 4.575 1.00 0.00 C ATOM 912 CG ARG A 61 -10.993 5.431 5.780 1.00 0.00 C ATOM 913 CD ARG A 61 -12.159 5.176 6.722 1.00 0.00 C ATOM 914 NE ARG A 61 -11.842 4.160 7.722 1.00 0.00 N ATOM 915 CZ ARG A 61 -11.160 4.410 8.834 1.00 0.00 C ATOM 916 NH1 ARG A 61 -10.724 5.637 9.086 1.00 0.00 N ATOM 917 NH2 ARG A 61 -10.911 3.432 9.696 1.00 0.00 N ATOM 0 H ARG A 61 -8.258 5.905 4.134 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.009 3.828 4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.824 4.842 3.899 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.310 3.504 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.054 5.288 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.015 6.468 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.430 6.105 7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.028 4.859 6.146 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.162 3.206 7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.912 6.391 8.425 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.200 5.827 9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.243 2.487 9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.387 3.626 10.550 1.00 0.00 H new ATOM 931 N GLN A 62 -8.916 3.817 1.602 1.00 0.00 N ATOM 932 CA GLN A 62 -9.002 3.228 0.271 1.00 0.00 C ATOM 933 C GLN A 62 -7.808 2.318 0.000 1.00 0.00 C ATOM 934 O GLN A 62 -6.666 2.775 -0.049 1.00 0.00 O ATOM 935 CB GLN A 62 -9.074 4.325 -0.792 1.00 0.00 C ATOM 936 CG GLN A 62 -10.492 4.775 -1.107 1.00 0.00 C ATOM 937 CD GLN A 62 -10.537 6.129 -1.786 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.030 6.194 -3.012 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.022 7.107 -1.216 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.017 4.249 1.815 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.911 2.628 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.495 5.185 -0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.604 3.964 -1.707 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.970 4.035 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.070 4.816 -0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.401 7.012 -0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.045 8.012 -1.686 1.00 0.00 H new ATOM 948 N ALA A 63 -8.080 1.029 -0.174 1.00 0.00 N ATOM 949 CA ALA A 63 -7.028 0.056 -0.442 1.00 0.00 C ATOM 950 C ALA A 63 -6.198 0.465 -1.654 1.00 0.00 C ATOM 951 O ALA A 63 -6.567 0.186 -2.794 1.00 0.00 O ATOM 952 CB ALA A 63 -7.629 -1.326 -0.653 1.00 0.00 C ATOM 0 H ALA A 63 -9.020 0.634 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.367 0.024 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.832 -2.043 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.172 -1.627 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.313 -1.300 -1.501 1.00 0.00 H new ATOM 958 N ALA A 64 -5.074 1.128 -1.399 1.00 0.00 N ATOM 959 CA ALA A 64 -4.191 1.574 -2.469 1.00 0.00 C ATOM 960 C ALA A 64 -3.607 0.388 -3.229 1.00 0.00 C ATOM 961 O ALA A 64 -3.264 0.499 -4.405 1.00 0.00 O ATOM 962 CB ALA A 64 -3.076 2.443 -1.906 1.00 0.00 C ATOM 0 H ALA A 64 -4.754 1.368 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.780 2.166 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.424 2.769 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.507 3.315 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.497 1.868 -1.183 1.00 0.00 H new ATOM 968 N GLY A 65 -3.496 -0.749 -2.548 1.00 0.00 N ATOM 969 CA GLY A 65 -2.952 -1.939 -3.175 1.00 0.00 C ATOM 970 C GLY A 65 -2.187 -2.811 -2.199 1.00 0.00 C ATOM 971 O GLY A 65 -1.912 -2.400 -1.071 1.00 0.00 O ATOM 0 H GLY A 65 -3.773 -0.867 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.764 -2.518 -3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.291 -1.646 -3.991 1.00 0.00 H new ATOM 975 N LYS A 66 -1.842 -4.019 -2.631 1.00 0.00 N ATOM 976 CA LYS A 66 -1.104 -4.952 -1.788 1.00 0.00 C ATOM 977 C LYS A 66 0.395 -4.680 -1.858 1.00 0.00 C ATOM 978 O LYS A 66 0.896 -4.167 -2.859 1.00 0.00 O ATOM 979 CB LYS A 66 -1.392 -6.394 -2.214 1.00 0.00 C ATOM 980 CG LYS A 66 -2.580 -7.014 -1.498 1.00 0.00 C ATOM 981 CD LYS A 66 -2.603 -8.524 -1.663 1.00 0.00 C ATOM 982 CE LYS A 66 -3.891 -9.124 -1.120 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.247 -10.394 -1.812 1.00 0.00 N ATOM 0 H LYS A 66 -2.062 -4.375 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.433 -4.811 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.574 -6.417 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.507 -7.003 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.539 -6.763 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.504 -6.590 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.499 -8.778 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.750 -8.961 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.782 -9.311 -0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.703 -8.407 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.130 -10.771 -1.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.376 -10.212 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.484 -11.088 -1.679 1.00 0.00 H new ATOM 997 N ILE A 67 1.105 -5.028 -0.790 1.00 0.00 N ATOM 998 CA ILE A 67 2.547 -4.823 -0.732 1.00 0.00 C ATOM 999 C ILE A 67 3.249 -5.531 -1.886 1.00 0.00 C ATOM 1000 O ILE A 67 3.302 -6.760 -1.935 1.00 0.00 O ATOM 1001 CB ILE A 67 3.134 -5.329 0.599 1.00 0.00 C ATOM 1002 CG1 ILE A 67 2.925 -4.289 1.702 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.613 -5.647 0.438 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.863 -4.885 3.090 1.00 0.00 C ATOM 0 H ILE A 67 0.705 -5.453 0.047 1.00 0.00 H new ATOM 0 HA ILE A 67 2.717 -3.749 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 67 2.614 -6.243 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.736 -3.562 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.001 -3.745 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.014 -6.003 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.739 -6.418 -0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.148 -4.747 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.713 -4.090 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.034 -5.591 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.797 -5.404 3.305 1.00 0.00 H new ATOM 1016 N PHE A 68 3.789 -4.747 -2.813 1.00 0.00 N ATOM 1017 CA PHE A 68 4.490 -5.298 -3.967 1.00 0.00 C ATOM 1018 C PHE A 68 5.798 -5.959 -3.544 1.00 0.00 C ATOM 1019 O PHE A 68 6.144 -7.037 -4.026 1.00 0.00 O ATOM 1020 CB PHE A 68 4.770 -4.198 -4.993 1.00 0.00 C ATOM 1021 CG PHE A 68 5.651 -4.644 -6.125 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.143 -5.428 -7.148 1.00 0.00 C ATOM 1023 CD2 PHE A 68 6.987 -4.279 -6.165 1.00 0.00 C ATOM 1024 CE1 PHE A 68 5.953 -5.840 -8.190 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.801 -4.688 -7.205 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.283 -5.469 -8.219 1.00 0.00 C ATOM 0 H PHE A 68 3.755 -3.728 -2.788 1.00 0.00 H new ATOM 0 HA PHE A 68 3.851 -6.055 -4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.823 -3.841 -5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.239 -3.353 -4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.103 -5.720 -7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.397 -3.668 -5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.546 -6.452 -8.981 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.841 -4.397 -7.224 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.916 -5.789 -9.033 1.00 0.00 H new ATOM 1036 N GLU A 69 6.521 -5.303 -2.641 1.00 0.00 N ATOM 1037 CA GLU A 69 7.792 -5.827 -2.154 1.00 0.00 C ATOM 1038 C GLU A 69 8.269 -5.049 -0.932 1.00 0.00 C ATOM 1039 O GLU A 69 8.009 -3.852 -0.805 1.00 0.00 O ATOM 1040 CB GLU A 69 8.851 -5.764 -3.257 1.00 0.00 C ATOM 1041 CG GLU A 69 10.244 -6.143 -2.785 1.00 0.00 C ATOM 1042 CD GLU A 69 11.093 -6.740 -3.892 1.00 0.00 C ATOM 1043 OE1 GLU A 69 10.617 -7.681 -4.561 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.231 -6.266 -4.088 1.00 0.00 O ATOM 0 H GLU A 69 6.249 -4.409 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 69 7.640 -6.867 -1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.558 -6.430 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.877 -4.754 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.742 -5.259 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.164 -6.859 -1.967 1.00 0.00 H new ATOM 1051 N ILE A 70 8.967 -5.737 -0.035 1.00 0.00 N ATOM 1052 CA ILE A 70 9.480 -5.111 1.177 1.00 0.00 C ATOM 1053 C ILE A 70 10.997 -5.235 1.260 1.00 0.00 C ATOM 1054 O ILE A 70 11.561 -6.292 0.974 1.00 0.00 O ATOM 1055 CB ILE A 70 8.855 -5.733 2.440 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.329 -5.745 2.328 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.295 -4.968 3.680 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.664 -6.746 3.246 1.00 0.00 C ATOM 0 H ILE A 70 9.190 -6.728 -0.125 1.00 0.00 H new ATOM 0 HA ILE A 70 9.206 -4.057 1.128 1.00 0.00 H new ATOM 0 HB ILE A 70 9.202 -6.763 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.948 -4.749 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.050 -5.967 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.845 -5.419 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.381 -5.007 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.974 -3.929 3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.583 -6.699 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.016 -7.749 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.913 -6.512 4.281 1.00 0.00 H new ATOM 1070 N PHE A 71 11.654 -4.150 1.655 1.00 0.00 N ATOM 1071 CA PHE A 71 13.107 -4.137 1.777 1.00 0.00 C ATOM 1072 C PHE A 71 13.549 -3.234 2.925 1.00 0.00 C ATOM 1073 O PHE A 71 12.754 -2.470 3.470 1.00 0.00 O ATOM 1074 CB PHE A 71 13.746 -3.667 0.469 1.00 0.00 C ATOM 1075 CG PHE A 71 13.264 -2.318 0.018 1.00 0.00 C ATOM 1076 CD1 PHE A 71 13.576 -1.178 0.742 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.500 -2.189 -1.131 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.135 0.065 0.330 1.00 0.00 C ATOM 1079 CE2 PHE A 71 12.056 -0.948 -1.548 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.373 0.180 -0.817 1.00 0.00 C ATOM 0 H PHE A 71 11.203 -3.268 1.896 1.00 0.00 H new ATOM 0 HA PHE A 71 13.437 -5.154 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.828 -3.634 0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.537 -4.398 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.171 -1.262 1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 71 12.249 -3.067 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.385 0.945 0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.461 -0.861 -2.445 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.026 1.150 -1.141 1.00 0.00 H new ATOM 1090 N GLY A 72 14.825 -3.329 3.288 1.00 0.00 N ATOM 1091 CA GLY A 72 15.351 -2.517 4.369 1.00 0.00 C ATOM 1092 C GLY A 72 15.620 -3.324 5.623 1.00 0.00 C ATOM 1093 O GLY A 72 15.647 -4.555 5.601 1.00 0.00 O ATOM 0 H GLY A 72 15.503 -3.954 2.852 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.275 -2.039 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.643 -1.720 4.598 1.00 0.00 H new ATOM 1097 N PRO A 73 15.827 -2.625 6.749 1.00 0.00 N ATOM 1098 CA PRO A 73 16.100 -3.265 8.039 1.00 0.00 C ATOM 1099 C PRO A 73 14.880 -3.990 8.597 1.00 0.00 C ATOM 1100 O PRO A 73 13.919 -4.254 7.875 1.00 0.00 O ATOM 1101 CB PRO A 73 16.484 -2.091 8.943 1.00 0.00 C ATOM 1102 CG PRO A 73 15.815 -0.908 8.332 1.00 0.00 C ATOM 1103 CD PRO A 73 15.809 -1.156 6.849 1.00 0.00 C ATOM 0 HA PRO A 73 16.872 -4.030 7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.146 -2.252 9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.565 -1.958 8.982 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.800 -0.794 8.713 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.351 0.010 8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.924 -0.732 6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.677 -0.709 6.363 1.00 0.00 H new ATOM 1111 N VAL A 74 14.924 -4.308 9.887 1.00 0.00 N ATOM 1112 CA VAL A 74 13.821 -5.000 10.542 1.00 0.00 C ATOM 1113 C VAL A 74 13.067 -4.067 11.482 1.00 0.00 C ATOM 1114 O VAL A 74 12.011 -4.419 12.007 1.00 0.00 O ATOM 1115 CB VAL A 74 14.319 -6.221 11.339 1.00 0.00 C ATOM 1116 CG1 VAL A 74 15.135 -5.776 12.543 1.00 0.00 C ATOM 1117 CG2 VAL A 74 13.147 -7.089 11.770 1.00 0.00 C ATOM 0 H VAL A 74 15.712 -4.097 10.499 1.00 0.00 H new ATOM 0 HA VAL A 74 13.148 -5.339 9.754 1.00 0.00 H new ATOM 0 HB VAL A 74 14.964 -6.816 10.693 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.478 -6.652 13.094 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.996 -5.199 12.206 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.516 -5.158 13.194 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.517 -7.947 12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.474 -6.506 12.399 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.609 -7.437 10.889 1.00 0.00 H new ATOM 1127 N ALA A 75 13.616 -2.874 11.689 1.00 0.00 N ATOM 1128 CA ALA A 75 12.994 -1.888 12.564 1.00 0.00 C ATOM 1129 C ALA A 75 12.520 -0.674 11.773 1.00 0.00 C ATOM 1130 O ALA A 75 11.561 -0.005 12.158 1.00 0.00 O ATOM 1131 CB ALA A 75 13.965 -1.464 13.656 1.00 0.00 C ATOM 0 H ALA A 75 14.490 -2.567 11.262 1.00 0.00 H new ATOM 0 HA ALA A 75 12.122 -2.349 13.028 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.487 -0.727 14.302 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.250 -2.334 14.247 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.854 -1.026 13.202 1.00 0.00 H new ATOM 1137 N HIS A 76 13.200 -0.393 10.666 1.00 0.00 N ATOM 1138 CA HIS A 76 12.849 0.743 9.821 1.00 0.00 C ATOM 1139 C HIS A 76 12.763 0.323 8.356 1.00 0.00 C ATOM 1140 O HIS A 76 13.292 0.986 7.463 1.00 0.00 O ATOM 1141 CB HIS A 76 13.875 1.864 9.983 1.00 0.00 C ATOM 1142 CG HIS A 76 14.083 2.285 11.405 1.00 0.00 C ATOM 1143 ND1 HIS A 76 13.075 2.803 12.191 1.00 0.00 N ATOM 1144 CD2 HIS A 76 15.190 2.260 12.183 1.00 0.00 C ATOM 1145 CE1 HIS A 76 13.554 3.080 13.391 1.00 0.00 C ATOM 1146 NE2 HIS A 76 14.835 2.760 13.412 1.00 0.00 N ATOM 0 H HIS A 76 13.997 -0.936 10.333 1.00 0.00 H new ATOM 0 HA HIS A 76 11.871 1.109 10.135 1.00 0.00 H new ATOM 0 HB2 HIS A 76 14.828 1.536 9.567 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.553 2.727 9.401 1.00 0.00 H new ATOM 0 HD2 HIS A 76 16.170 1.912 11.892 1.00 0.00 H new ATOM 0 HE1 HIS A 76 12.993 3.497 14.214 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.460 2.867 14.211 1.00 0.00 H new ATOM 1154 N PRO A 77 12.081 -0.804 8.101 1.00 0.00 N ATOM 1155 CA PRO A 77 11.911 -1.336 6.746 1.00 0.00 C ATOM 1156 C PRO A 77 10.989 -0.470 5.895 1.00 0.00 C ATOM 1157 O PRO A 77 10.301 0.412 6.408 1.00 0.00 O ATOM 1158 CB PRO A 77 11.284 -2.713 6.983 1.00 0.00 C ATOM 1159 CG PRO A 77 10.595 -2.594 8.298 1.00 0.00 C ATOM 1160 CD PRO A 77 11.425 -1.644 9.117 1.00 0.00 C ATOM 0 HA PRO A 77 12.853 -1.369 6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.582 -2.970 6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.043 -3.495 7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.580 -2.217 8.174 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.517 -3.565 8.787 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.808 -1.051 9.792 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.153 -2.173 9.732 1.00 0.00 H new ATOM 1168 N PHE A 78 10.979 -0.729 4.591 1.00 0.00 N ATOM 1169 CA PHE A 78 10.141 0.028 3.668 1.00 0.00 C ATOM 1170 C PHE A 78 9.273 -0.907 2.831 1.00 0.00 C ATOM 1171 O PHE A 78 9.751 -1.916 2.311 1.00 0.00 O ATOM 1172 CB PHE A 78 11.009 0.894 2.752 1.00 0.00 C ATOM 1173 CG PHE A 78 12.186 1.512 3.450 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.247 0.728 3.873 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.232 2.877 3.684 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.333 1.294 4.515 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.315 3.448 4.326 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.366 2.655 4.743 1.00 0.00 C ATOM 0 H PHE A 78 11.541 -1.457 4.150 1.00 0.00 H new ATOM 0 HA PHE A 78 9.487 0.674 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.368 0.285 1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.394 1.686 2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.226 -0.338 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.412 3.502 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.155 0.672 4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.339 4.513 4.501 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.212 3.099 5.247 1.00 0.00 H new ATOM 1188 N TYR A 79 7.996 -0.564 2.705 1.00 0.00 N ATOM 1189 CA TYR A 79 7.060 -1.373 1.934 1.00 0.00 C ATOM 1190 C TYR A 79 6.814 -0.759 0.559 1.00 0.00 C ATOM 1191 O TYR A 79 6.745 0.462 0.414 1.00 0.00 O ATOM 1192 CB TYR A 79 5.736 -1.514 2.686 1.00 0.00 C ATOM 1193 CG TYR A 79 5.895 -2.016 4.104 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.333 -1.171 5.116 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.606 -3.335 4.430 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.481 -1.626 6.412 1.00 0.00 C ATOM 1197 CE2 TYR A 79 5.749 -3.799 5.724 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.187 -2.941 6.711 1.00 0.00 C ATOM 1199 OH TYR A 79 6.332 -3.397 8.001 1.00 0.00 O ATOM 0 H TYR A 79 7.585 0.269 3.127 1.00 0.00 H new ATOM 0 HA TYR A 79 7.500 -2.361 1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.235 -0.546 2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.088 -2.198 2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.562 -0.141 4.886 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.264 -4.009 3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.825 -0.957 7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.519 -4.827 5.961 1.00 0.00 H new ATOM 0 HH TYR A 79 6.083 -4.344 8.043 1.00 0.00 H new ATOM 1209 N VAL A 80 6.681 -1.615 -0.449 1.00 0.00 N ATOM 1210 CA VAL A 80 6.440 -1.159 -1.813 1.00 0.00 C ATOM 1211 C VAL A 80 5.014 -1.471 -2.253 1.00 0.00 C ATOM 1212 O VAL A 80 4.381 -2.394 -1.738 1.00 0.00 O ATOM 1213 CB VAL A 80 7.425 -1.809 -2.803 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.365 -1.108 -4.152 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.839 -1.783 -2.243 1.00 0.00 C ATOM 0 H VAL A 80 6.736 -2.628 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 80 6.590 -0.079 -1.818 1.00 0.00 H new ATOM 0 HB VAL A 80 7.135 -2.850 -2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.067 -1.580 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.356 -1.183 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.629 -0.058 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.521 -2.246 -2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.142 -0.751 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.868 -2.333 -1.303 1.00 0.00 H new ATOM 1225 N LEU A 81 4.513 -0.695 -3.208 1.00 0.00 N ATOM 1226 CA LEU A 81 3.161 -0.888 -3.719 1.00 0.00 C ATOM 1227 C LEU A 81 3.183 -1.212 -5.209 1.00 0.00 C ATOM 1228 O LEU A 81 3.990 -0.666 -5.961 1.00 0.00 O ATOM 1229 CB LEU A 81 2.317 0.364 -3.470 1.00 0.00 C ATOM 1230 CG LEU A 81 1.700 0.491 -2.077 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.659 1.599 -2.053 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.084 -0.832 -1.644 1.00 0.00 C ATOM 0 H LEU A 81 5.023 0.073 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 81 2.716 -1.730 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.940 1.240 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.513 0.388 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 81 2.491 0.749 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.231 1.674 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.129 2.546 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.130 1.372 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.650 -0.723 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.306 -1.120 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.855 -1.602 -1.620 1.00 0.00 H new ATOM 1244 N ARG A 82 2.289 -2.101 -5.630 1.00 0.00 N ATOM 1245 CA ARG A 82 2.205 -2.497 -7.030 1.00 0.00 C ATOM 1246 C ARG A 82 1.274 -1.568 -7.803 1.00 0.00 C ATOM 1247 O ARG A 82 0.330 -1.011 -7.242 1.00 0.00 O ATOM 1248 CB ARG A 82 1.714 -3.941 -7.146 1.00 0.00 C ATOM 1249 CG ARG A 82 1.678 -4.460 -8.574 1.00 0.00 C ATOM 1250 CD ARG A 82 1.128 -5.876 -8.639 1.00 0.00 C ATOM 1251 NE ARG A 82 2.182 -6.879 -8.515 1.00 0.00 N ATOM 1252 CZ ARG A 82 1.947 -8.170 -8.305 1.00 0.00 C ATOM 1253 NH1 ARG A 82 0.701 -8.611 -8.196 1.00 0.00 N ATOM 1254 NH2 ARG A 82 2.959 -9.022 -8.203 1.00 0.00 N ATOM 0 H ARG A 82 1.612 -2.561 -5.021 1.00 0.00 H new ATOM 0 HA ARG A 82 3.203 -2.425 -7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.362 -4.585 -6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.714 -4.011 -6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.062 -3.801 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.683 -4.439 -8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.397 -6.018 -7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.602 -6.018 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 82 3.151 -6.572 -8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.079 -7.959 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.523 -9.602 -8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.919 -8.686 -8.286 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.777 -10.013 -8.042 1.00 0.00 H new ATOM 1268 N PHE A 83 1.545 -1.405 -9.094 1.00 0.00 N ATOM 1269 CA PHE A 83 0.733 -0.543 -9.943 1.00 0.00 C ATOM 1270 C PHE A 83 1.058 -0.769 -11.417 1.00 0.00 C ATOM 1271 O PHE A 83 2.222 -0.770 -11.813 1.00 0.00 O ATOM 1272 CB PHE A 83 0.958 0.926 -9.579 1.00 0.00 C ATOM 1273 CG PHE A 83 0.237 1.352 -8.332 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.140 1.510 -8.332 1.00 0.00 C ATOM 1275 CD2 PHE A 83 0.936 1.595 -7.161 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.806 1.902 -7.186 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.274 1.986 -6.012 1.00 0.00 C ATOM 1278 CZ PHE A 83 -1.098 2.141 -6.025 1.00 0.00 C ATOM 0 H PHE A 83 2.322 -1.859 -9.575 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.314 -0.795 -9.777 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.026 1.100 -9.449 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.632 1.552 -10.410 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.699 1.325 -9.237 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.010 1.478 -7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.879 2.021 -7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.830 2.170 -5.105 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.616 2.449 -5.129 1.00 0.00 H new ATOM 1288 N ASN A 84 0.019 -0.960 -12.223 1.00 0.00 N ATOM 1289 CA ASN A 84 0.193 -1.188 -13.653 1.00 0.00 C ATOM 1290 C ASN A 84 1.060 -0.099 -14.276 1.00 0.00 C ATOM 1291 O ASN A 84 2.005 -0.388 -15.010 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.167 -1.236 -14.353 1.00 0.00 C ATOM 1293 CG ASN A 84 -2.177 -0.300 -13.717 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -1.913 0.890 -13.541 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -3.342 -0.835 -13.368 1.00 0.00 N ATOM 0 H ASN A 84 -0.952 -0.961 -11.911 1.00 0.00 H new ATOM 0 HA ASN A 84 0.695 -2.147 -13.784 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.042 -0.972 -15.403 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.552 -2.255 -14.324 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.061 -0.255 -12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.518 -1.826 -13.533 1.00 0.00 H new ATOM 1302 N SER A 85 0.732 1.154 -13.978 1.00 0.00 N ATOM 1303 CA SER A 85 1.478 2.287 -14.512 1.00 0.00 C ATOM 1304 C SER A 85 1.562 3.414 -13.486 1.00 0.00 C ATOM 1305 O SER A 85 1.072 3.284 -12.364 1.00 0.00 O ATOM 1306 CB SER A 85 0.822 2.799 -15.795 1.00 0.00 C ATOM 1307 OG SER A 85 -0.550 3.085 -15.588 1.00 0.00 O ATOM 0 H SER A 85 -0.046 1.410 -13.370 1.00 0.00 H new ATOM 0 HA SER A 85 2.489 1.949 -14.740 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.336 3.697 -16.136 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.926 2.053 -16.583 1.00 0.00 H new ATOM 0 HG SER A 85 -0.946 3.412 -16.423 1.00 0.00 H new ATOM 1313 N SER A 86 2.186 4.519 -13.880 1.00 0.00 N ATOM 1314 CA SER A 86 2.338 5.668 -12.994 1.00 0.00 C ATOM 1315 C SER A 86 0.990 6.332 -12.730 1.00 0.00 C ATOM 1316 O SER A 86 0.629 6.593 -11.582 1.00 0.00 O ATOM 1317 CB SER A 86 3.308 6.682 -13.603 1.00 0.00 C ATOM 1318 OG SER A 86 2.958 6.984 -14.942 1.00 0.00 O ATOM 0 H SER A 86 2.594 4.644 -14.806 1.00 0.00 H new ATOM 0 HA SER A 86 2.741 5.314 -12.045 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.304 7.595 -13.008 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.322 6.284 -13.570 1.00 0.00 H new ATOM 0 HG SER A 86 3.593 7.635 -15.307 1.00 0.00 H new ATOM 1324 N ASP A 87 0.251 6.602 -13.800 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.058 7.235 -13.685 1.00 0.00 C ATOM 1326 C ASP A 87 -1.885 6.576 -12.586 1.00 0.00 C ATOM 1327 O ASP A 87 -2.591 7.251 -11.836 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.804 7.158 -15.018 1.00 0.00 C ATOM 1329 CG ASP A 87 -0.906 7.455 -16.202 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -0.143 6.554 -16.609 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -0.965 8.590 -16.722 1.00 0.00 O ATOM 0 H ASP A 87 0.536 6.393 -14.757 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.907 8.282 -13.422 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.235 6.163 -15.133 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.633 7.865 -15.008 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.794 5.253 -12.496 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.535 4.502 -11.488 1.00 0.00 C ATOM 1338 C HIS A 88 -2.383 5.143 -10.112 1.00 0.00 C ATOM 1339 O HIS A 88 -3.369 5.368 -9.410 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.051 3.052 -11.444 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.116 2.077 -11.046 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -2.971 0.712 -11.172 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.347 2.277 -10.520 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.068 0.113 -10.742 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.918 1.041 -10.341 1.00 0.00 N ATOM 0 H HIS A 88 -1.215 4.679 -13.108 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.590 4.517 -11.762 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.666 2.776 -12.426 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.220 2.976 -10.743 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.796 3.231 -10.285 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.240 -0.953 -10.722 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.848 0.868 -9.960 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.143 5.435 -9.734 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.863 6.050 -8.443 1.00 0.00 C ATOM 1355 C ILE A 89 -1.484 7.440 -8.350 1.00 0.00 C ATOM 1356 O ILE A 89 -2.302 7.707 -7.471 1.00 0.00 O ATOM 1357 CB ILE A 89 0.651 6.159 -8.188 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.282 4.767 -8.125 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.918 6.925 -6.901 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.615 4.193 -9.485 1.00 0.00 C ATOM 0 H ILE A 89 -0.316 5.255 -10.304 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.306 5.405 -7.684 1.00 0.00 H new ATOM 0 HB ILE A 89 1.104 6.706 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.192 4.816 -7.527 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.599 4.090 -7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.993 6.993 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.499 7.928 -6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.454 6.403 -6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.059 3.205 -9.364 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.704 4.112 -10.078 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.322 4.849 -9.993 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.091 8.320 -9.266 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.611 9.682 -9.287 1.00 0.00 C ATOM 1374 C GLU A 90 -3.097 9.703 -8.941 1.00 0.00 C ATOM 1375 O GLU A 90 -3.538 10.484 -8.098 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.388 10.316 -10.662 1.00 0.00 C ATOM 1377 CG GLU A 90 0.075 10.570 -10.985 1.00 0.00 C ATOM 1378 CD GLU A 90 0.300 10.912 -12.445 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.574 11.577 -13.040 1.00 0.00 O ATOM 1380 OE2 GLU A 90 1.350 10.516 -12.992 1.00 0.00 O ATOM 0 H GLU A 90 -0.415 8.114 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.072 10.260 -8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.812 9.665 -11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.931 11.260 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.444 11.386 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.658 9.686 -10.729 1.00 0.00 H new ATOM 1387 N SER A 91 -3.864 8.840 -9.599 1.00 0.00 N ATOM 1388 CA SER A 91 -5.302 8.762 -9.365 1.00 0.00 C ATOM 1389 C SER A 91 -5.598 8.476 -7.896 1.00 0.00 C ATOM 1390 O SER A 91 -6.450 9.121 -7.285 1.00 0.00 O ATOM 1391 CB SER A 91 -5.924 7.675 -10.244 1.00 0.00 C ATOM 1392 OG SER A 91 -7.337 7.780 -10.260 1.00 0.00 O ATOM 0 H SER A 91 -3.514 8.185 -10.298 1.00 0.00 H new ATOM 0 HA SER A 91 -5.741 9.725 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.538 7.759 -11.260 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.633 6.692 -9.873 1.00 0.00 H new ATOM 0 HG SER A 91 -7.711 7.076 -10.830 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.887 7.503 -7.334 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.071 7.130 -5.937 1.00 0.00 C ATOM 1400 C LYS A 92 -4.819 8.321 -5.018 1.00 0.00 C ATOM 1401 O LYS A 92 -5.360 8.392 -3.915 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.132 5.980 -5.567 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.362 4.720 -6.383 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.596 3.969 -5.913 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.519 2.492 -6.268 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.827 1.806 -6.079 1.00 0.00 N ATOM 0 H LYS A 92 -4.178 6.959 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.103 6.805 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.101 6.307 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.257 5.746 -4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.473 4.982 -7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.489 4.072 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.701 4.080 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.485 4.407 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.199 2.384 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.763 2.009 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.732 0.802 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.121 1.887 -5.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.543 2.250 -6.689 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.996 9.257 -5.481 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.688 10.433 -4.689 1.00 0.00 C ATOM 1422 C GLY A 93 -2.462 10.241 -3.818 1.00 0.00 C ATOM 1423 O GLY A 93 -2.164 11.076 -2.963 1.00 0.00 O ATOM 0 H GLY A 93 -3.537 9.222 -6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.529 11.283 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.543 10.677 -4.059 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.751 9.140 -4.034 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.552 8.842 -3.262 1.00 0.00 C ATOM 1429 C ILE A 94 0.643 9.641 -3.771 1.00 0.00 C ATOM 1430 O ILE A 94 0.791 9.859 -4.974 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.209 7.341 -3.311 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.461 6.501 -3.049 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.877 7.012 -2.298 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.380 5.102 -3.619 1.00 0.00 C ATOM 0 H ILE A 94 -1.985 8.439 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.763 9.125 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 94 0.165 7.101 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.628 6.437 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.326 7.009 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.108 5.948 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.774 7.588 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.529 7.264 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.301 4.564 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.244 5.156 -4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.536 4.576 -3.173 1.00 0.00 H new ATOM 1446 N LYS A 95 1.494 10.075 -2.848 1.00 0.00 N ATOM 1447 CA LYS A 95 2.679 10.848 -3.202 1.00 0.00 C ATOM 1448 C LYS A 95 3.585 11.040 -1.990 1.00 0.00 C ATOM 1449 O LYS A 95 3.223 10.680 -0.870 1.00 0.00 O ATOM 1450 CB LYS A 95 2.273 12.210 -3.770 1.00 0.00 C ATOM 1451 CG LYS A 95 1.137 12.872 -3.011 1.00 0.00 C ATOM 1452 CD LYS A 95 1.635 13.564 -1.753 1.00 0.00 C ATOM 1453 CE LYS A 95 0.731 14.721 -1.357 1.00 0.00 C ATOM 1454 NZ LYS A 95 0.898 15.890 -2.264 1.00 0.00 N ATOM 0 H LYS A 95 1.385 9.905 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 95 3.231 10.294 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.139 12.871 -3.760 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.979 12.086 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.643 13.599 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.391 12.123 -2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.685 12.844 -0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.648 13.932 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.308 14.393 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.953 15.021 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.471 16.732 -1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.911 16.061 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.429 15.695 -3.172 1.00 0.00 H new ATOM 1468 N ILE A 96 4.762 11.612 -2.222 1.00 0.00 N ATOM 1469 CA ILE A 96 5.718 11.854 -1.149 1.00 0.00 C ATOM 1470 C ILE A 96 5.069 12.613 0.004 1.00 0.00 C ATOM 1471 O ILE A 96 4.229 13.488 -0.209 1.00 0.00 O ATOM 1472 CB ILE A 96 6.938 12.649 -1.650 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.589 11.932 -2.834 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.943 12.843 -0.524 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.136 10.565 -2.487 1.00 0.00 C ATOM 0 H ILE A 96 5.076 11.916 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 96 6.051 10.878 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 96 6.602 13.631 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.855 11.828 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.398 12.550 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.800 13.407 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.473 13.391 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.277 11.870 -0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.583 10.116 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.894 10.663 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.327 9.930 -2.127 1.00 0.00 H new ATOM 1487 N LYS A 97 5.465 12.274 1.226 1.00 0.00 N ATOM 1488 CA LYS A 97 4.926 12.925 2.414 1.00 0.00 C ATOM 1489 C LYS A 97 3.459 12.559 2.616 1.00 0.00 C ATOM 1490 O LYS A 97 2.652 13.395 3.022 1.00 0.00 O ATOM 1491 CB LYS A 97 5.073 14.444 2.299 1.00 0.00 C ATOM 1492 CG LYS A 97 6.476 14.894 1.931 1.00 0.00 C ATOM 1493 CD LYS A 97 7.411 14.837 3.128 1.00 0.00 C ATOM 1494 CE LYS A 97 8.869 14.887 2.699 1.00 0.00 C ATOM 1495 NZ LYS A 97 9.307 13.607 2.075 1.00 0.00 N ATOM 0 H LYS A 97 6.158 11.551 1.420 1.00 0.00 H new ATOM 0 HA LYS A 97 5.492 12.576 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.374 14.812 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.791 14.901 3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.865 14.261 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.443 15.912 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.199 15.671 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.227 13.922 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.012 15.704 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.495 15.102 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.081 13.195 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.507 12.943 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.639 13.789 1.106 1.00 0.00 H new ATOM 1509 N GLU A 98 3.122 11.305 2.332 1.00 0.00 N ATOM 1510 CA GLU A 98 1.752 10.830 2.484 1.00 0.00 C ATOM 1511 C GLU A 98 1.693 9.631 3.426 1.00 0.00 C ATOM 1512 O GLU A 98 2.156 8.540 3.091 1.00 0.00 O ATOM 1513 CB GLU A 98 1.166 10.451 1.122 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.349 10.338 1.122 1.00 0.00 C ATOM 1515 CD GLU A 98 -0.831 8.947 1.485 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -0.330 8.387 2.483 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.709 8.418 0.771 1.00 0.00 O ATOM 0 H GLU A 98 3.778 10.600 1.996 1.00 0.00 H new ATOM 0 HA GLU A 98 1.160 11.638 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.466 11.197 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.593 9.500 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.763 11.058 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.729 10.604 0.136 1.00 0.00 H new ATOM 1524 N THR A 99 1.122 9.842 4.608 1.00 0.00 N ATOM 1525 CA THR A 99 1.004 8.781 5.600 1.00 0.00 C ATOM 1526 C THR A 99 -0.037 7.749 5.181 1.00 0.00 C ATOM 1527 O THR A 99 -1.141 8.102 4.766 1.00 0.00 O ATOM 1528 CB THR A 99 0.624 9.344 6.983 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.518 10.403 7.342 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.670 8.253 8.042 1.00 0.00 C ATOM 0 H THR A 99 0.734 10.739 4.901 1.00 0.00 H new ATOM 0 HA THR A 99 1.981 8.302 5.667 1.00 0.00 H new ATOM 0 HB THR A 99 -0.393 9.731 6.927 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.269 10.757 8.221 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.398 8.674 9.010 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.033 7.462 7.780 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.677 7.840 8.096 1.00 0.00 H new ATOM 1538 N MET A 100 0.321 6.475 5.292 1.00 0.00 N ATOM 1539 CA MET A 100 -0.585 5.392 4.926 1.00 0.00 C ATOM 1540 C MET A 100 -0.965 4.564 6.149 1.00 0.00 C ATOM 1541 O MET A 100 -0.416 4.754 7.234 1.00 0.00 O ATOM 1542 CB MET A 100 0.061 4.494 3.868 1.00 0.00 C ATOM 1543 CG MET A 100 0.505 5.244 2.623 1.00 0.00 C ATOM 1544 SD MET A 100 0.443 4.224 1.138 1.00 0.00 S ATOM 1545 CE MET A 100 -1.023 4.874 0.342 1.00 0.00 C ATOM 0 H MET A 100 1.232 6.166 5.632 1.00 0.00 H new ATOM 0 HA MET A 100 -1.492 5.834 4.513 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.923 3.992 4.307 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.648 3.717 3.581 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.130 6.119 2.485 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.522 5.608 2.767 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.195 4.342 -0.594 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.883 4.741 0.998 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.885 5.935 0.136 1.00 0.00 H new ATOM 1555 N TYR A 101 -1.907 3.645 5.966 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.362 2.791 7.056 1.00 0.00 C ATOM 1557 C TYR A 101 -2.800 1.426 6.532 1.00 0.00 C ATOM 1558 O TYR A 101 -2.884 1.210 5.323 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.518 3.456 7.806 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.317 4.937 8.037 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.403 5.842 6.986 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -3.040 5.430 9.306 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.220 7.195 7.193 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.856 6.782 9.522 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.947 7.661 8.462 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.763 9.008 8.673 1.00 0.00 O ATOM 0 H TYR A 101 -2.370 3.473 5.074 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.528 2.647 7.743 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.439 3.306 7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.648 2.961 8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.617 5.481 5.991 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -2.967 4.745 10.138 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.290 7.885 6.365 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.642 7.149 10.515 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.580 9.168 9.622 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.078 0.508 7.452 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.507 -0.837 7.084 1.00 0.00 C ATOM 1578 C PHE A 102 -4.669 -1.295 7.960 1.00 0.00 C ATOM 1579 O PHE A 102 -5.041 -0.620 8.919 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.341 -1.819 7.210 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.578 -1.683 8.496 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.213 -1.861 9.715 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.227 -1.378 8.488 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.514 -1.736 10.901 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.478 -1.252 9.670 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.167 -1.432 10.878 1.00 0.00 C ATOM 0 H PHE A 102 -3.014 0.670 8.457 1.00 0.00 H new ATOM 0 HA PHE A 102 -3.843 -0.814 6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.723 -2.837 7.130 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.658 -1.668 6.374 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.266 -2.100 9.739 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.282 -1.237 7.546 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.021 -1.876 11.844 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.531 -1.013 9.649 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.381 -1.335 11.803 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.239 -2.447 7.621 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.358 -2.997 8.376 1.00 0.00 C ATOM 1598 C ALA A 103 -6.089 -4.442 8.781 1.00 0.00 C ATOM 1599 O ALA A 103 -6.767 -4.989 9.652 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.640 -2.905 7.562 1.00 0.00 C ATOM 0 H ALA A 103 -4.944 -3.017 6.828 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.475 -2.408 9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.467 -3.319 8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.848 -1.861 7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.524 -3.469 6.636 1.00 0.00 H new