USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 780 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 50 MET CE :methyl -113:sc= -0.83 (180deg=-1.53) USER MOD Set 1.2: A 101 HIS : no HD1:sc= -1.65! C(o=-2.5!,f=-4.4!) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -133:sc= -0.053 (180deg=-0.606) USER MOD Set 2.2: A 54 TYR OH : rot 150:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.739 X(o=-0.74,f=-1.1) USER MOD Single : A 19 GLN : amide:sc= -0.782 K(o=-0.78,f=-1.8) USER MOD Single : A 21 GLN : amide:sc= 0.443 X(o=0.44,f=0) USER MOD Single : A 23 THR OG1 : rot 101:sc= 1.3 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.12) USER MOD Single : A 33 SER OG : rot -170:sc= -0.377 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.66 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot -95:sc= 0.714 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -148:sc= -0.539 (180deg=-1.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.515 K(o=-0.51,f=0.066) USER MOD Single : A 51 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -119:sc= -1.72! (180deg=-3.23!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.088) USER MOD Single : A 67 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.9) USER MOD Single : A 69 GLN : amide:sc= -0.0555 K(o=-0.056,f=-1.7!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -165:sc= 0 (180deg=-0.311) USER MOD Single : A 76 THR OG1 : rot -85:sc= 0.331 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0532 K(o=-0.053,f=0.67) USER MOD Single : A 89 THR OG1 : rot 4:sc= 0.3 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 97 THR OG1 : rot 71:sc= -3.42! USER MOD Single : A 98 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-3.7) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00727) USER MOD Single : A 111 HIS : no HD1:sc= -7.05! C(o=-7!,f=-6.5!) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 168 N ALA A 15 16.226 -6.360 -1.078 1.00 0.00 N ATOM 169 CA ALA A 15 15.899 -4.983 -1.424 1.00 0.00 C ATOM 170 C ALA A 15 14.649 -4.513 -0.688 1.00 0.00 C ATOM 171 O ALA A 15 13.846 -5.313 -0.207 1.00 0.00 O ATOM 172 CB ALA A 15 15.711 -4.846 -2.927 1.00 0.00 C ATOM 0 HA ALA A 15 16.731 -4.350 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.467 -3.812 -3.170 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.631 -5.131 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.899 -5.497 -3.253 1.00 0.00 H new ATOM 178 N PRO A 16 14.478 -3.186 -0.596 1.00 0.00 N ATOM 179 CA PRO A 16 13.327 -2.581 0.080 1.00 0.00 C ATOM 180 C PRO A 16 12.026 -2.794 -0.687 1.00 0.00 C ATOM 181 O PRO A 16 10.983 -3.072 -0.095 1.00 0.00 O ATOM 182 CB PRO A 16 13.683 -1.093 0.125 1.00 0.00 C ATOM 183 CG PRO A 16 14.618 -0.893 -1.018 1.00 0.00 C ATOM 184 CD PRO A 16 15.395 -2.174 -1.146 1.00 0.00 C ATOM 0 HA PRO A 16 13.154 -3.022 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.794 -0.470 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.152 -0.827 1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.072 -0.675 -1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.284 -0.049 -0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.652 -2.386 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.331 -2.134 -0.588 1.00 0.00 H new ATOM 192 N VAL A 17 12.094 -2.662 -2.007 1.00 0.00 N ATOM 193 CA VAL A 17 10.922 -2.842 -2.856 1.00 0.00 C ATOM 194 C VAL A 17 10.279 -4.205 -2.623 1.00 0.00 C ATOM 195 O VAL A 17 9.056 -4.334 -2.626 1.00 0.00 O ATOM 196 CB VAL A 17 11.282 -2.704 -4.347 1.00 0.00 C ATOM 197 CG1 VAL A 17 12.168 -3.858 -4.791 1.00 0.00 C ATOM 198 CG2 VAL A 17 10.021 -2.633 -5.194 1.00 0.00 C ATOM 0 H VAL A 17 12.949 -2.431 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 17 10.213 -2.059 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 17 11.838 -1.777 -4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.412 -3.744 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.087 -3.858 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.641 -4.800 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.294 -2.536 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.437 -3.542 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.428 -1.770 -4.892 1.00 0.00 H new ATOM 208 N ASN A 18 11.113 -5.219 -2.420 1.00 0.00 N ATOM 209 CA ASN A 18 10.626 -6.574 -2.185 1.00 0.00 C ATOM 210 C ASN A 18 9.742 -6.626 -0.943 1.00 0.00 C ATOM 211 O ASN A 18 8.703 -7.285 -0.937 1.00 0.00 O ATOM 212 CB ASN A 18 11.801 -7.541 -2.029 1.00 0.00 C ATOM 213 CG ASN A 18 12.756 -7.485 -3.207 1.00 0.00 C ATOM 214 OD1 ASN A 18 12.353 -7.195 -4.333 1.00 0.00 O ATOM 215 ND2 ASN A 18 14.028 -7.765 -2.950 1.00 0.00 N ATOM 0 H ASN A 18 12.129 -5.129 -2.413 1.00 0.00 H new ATOM 0 HA ASN A 18 10.030 -6.874 -3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.343 -7.305 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.420 -8.557 -1.921 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.717 -7.745 -3.702 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.317 -8.000 -2.000 1.00 0.00 H new ATOM 222 N GLN A 19 10.163 -5.927 0.107 1.00 0.00 N ATOM 223 CA GLN A 19 9.410 -5.894 1.354 1.00 0.00 C ATOM 224 C GLN A 19 7.996 -5.371 1.123 1.00 0.00 C ATOM 225 O GLN A 19 7.048 -5.807 1.777 1.00 0.00 O ATOM 226 CB GLN A 19 10.127 -5.021 2.385 1.00 0.00 C ATOM 227 CG GLN A 19 11.535 -5.493 2.708 1.00 0.00 C ATOM 228 CD GLN A 19 11.600 -6.979 3.004 1.00 0.00 C ATOM 229 OE1 GLN A 19 10.812 -7.501 3.793 1.00 0.00 O ATOM 230 NE2 GLN A 19 12.541 -7.669 2.370 1.00 0.00 N ATOM 0 H GLN A 19 11.022 -5.376 0.118 1.00 0.00 H new ATOM 0 HA GLN A 19 9.343 -6.913 1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.172 -3.997 2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.540 -5.001 3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.192 -5.265 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.912 -4.939 3.568 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.173 -7.195 1.724 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.632 -8.672 2.529 1.00 0.00 H new ATOM 239 N ILE A 20 7.862 -4.435 0.190 1.00 0.00 N ATOM 240 CA ILE A 20 6.564 -3.853 -0.128 1.00 0.00 C ATOM 241 C ILE A 20 5.707 -4.827 -0.929 1.00 0.00 C ATOM 242 O ILE A 20 4.518 -4.991 -0.656 1.00 0.00 O ATOM 243 CB ILE A 20 6.714 -2.543 -0.924 1.00 0.00 C ATOM 244 CG1 ILE A 20 7.507 -1.516 -0.114 1.00 0.00 C ATOM 245 CG2 ILE A 20 5.346 -1.991 -1.297 1.00 0.00 C ATOM 246 CD1 ILE A 20 8.183 -0.465 -0.966 1.00 0.00 C ATOM 0 H ILE A 20 8.637 -4.063 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 20 6.074 -3.637 0.821 1.00 0.00 H new ATOM 0 HB ILE A 20 7.262 -2.754 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.836 -1.024 0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.263 -2.035 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.468 -1.065 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.814 -2.720 -1.909 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.774 -1.792 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.726 0.229 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.880 -0.946 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.431 0.081 -1.536 1.00 0.00 H new ATOM 258 N GLN A 21 6.319 -5.471 -1.917 1.00 0.00 N ATOM 259 CA GLN A 21 5.611 -6.429 -2.757 1.00 0.00 C ATOM 260 C GLN A 21 4.977 -7.530 -1.912 1.00 0.00 C ATOM 261 O GLN A 21 3.851 -7.952 -2.171 1.00 0.00 O ATOM 262 CB GLN A 21 6.566 -7.043 -3.783 1.00 0.00 C ATOM 263 CG GLN A 21 7.293 -6.012 -4.631 1.00 0.00 C ATOM 264 CD GLN A 21 7.652 -6.537 -6.007 1.00 0.00 C ATOM 265 OE1 GLN A 21 8.212 -7.625 -6.142 1.00 0.00 O ATOM 266 NE2 GLN A 21 7.332 -5.763 -7.038 1.00 0.00 N ATOM 0 H GLN A 21 7.303 -5.347 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 21 4.818 -5.897 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.301 -7.656 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.003 -7.708 -4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.666 -5.126 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.202 -5.700 -4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.868 -4.868 -6.880 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.550 -6.063 -7.988 1.00 0.00 H new ATOM 275 N GLU A 22 5.710 -7.990 -0.903 1.00 0.00 N ATOM 276 CA GLU A 22 5.219 -9.043 -0.022 1.00 0.00 C ATOM 277 C GLU A 22 4.203 -8.489 0.974 1.00 0.00 C ATOM 278 O GLU A 22 3.211 -9.144 1.296 1.00 0.00 O ATOM 279 CB GLU A 22 6.382 -9.694 0.729 1.00 0.00 C ATOM 280 CG GLU A 22 6.979 -8.810 1.812 1.00 0.00 C ATOM 281 CD GLU A 22 8.049 -9.519 2.620 1.00 0.00 C ATOM 282 OE1 GLU A 22 7.718 -10.514 3.297 1.00 0.00 O ATOM 283 OE2 GLU A 22 9.216 -9.078 2.575 1.00 0.00 O ATOM 0 H GLU A 22 6.645 -7.651 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 22 4.726 -9.796 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.037 -10.624 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.163 -9.957 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.406 -7.918 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.186 -8.475 2.481 1.00 0.00 H new ATOM 290 N THR A 23 4.458 -7.278 1.459 1.00 0.00 N ATOM 291 CA THR A 23 3.569 -6.636 2.418 1.00 0.00 C ATOM 292 C THR A 23 2.198 -6.373 1.806 1.00 0.00 C ATOM 293 O THR A 23 1.172 -6.743 2.378 1.00 0.00 O ATOM 294 CB THR A 23 4.156 -5.305 2.925 1.00 0.00 C ATOM 295 OG1 THR A 23 5.351 -5.551 3.675 1.00 0.00 O ATOM 296 CG2 THR A 23 3.149 -4.565 3.793 1.00 0.00 C ATOM 0 H THR A 23 5.274 -6.722 1.203 1.00 0.00 H new ATOM 0 HA THR A 23 3.463 -7.322 3.259 1.00 0.00 H new ATOM 0 HB THR A 23 4.392 -4.684 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.133 -5.359 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.586 -3.628 4.139 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.252 -4.354 3.210 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.886 -5.182 4.652 1.00 0.00 H new ATOM 304 N ILE A 24 2.187 -5.734 0.642 1.00 0.00 N ATOM 305 CA ILE A 24 0.941 -5.424 -0.048 1.00 0.00 C ATOM 306 C ILE A 24 0.136 -6.689 -0.324 1.00 0.00 C ATOM 307 O ILE A 24 -1.095 -6.667 -0.319 1.00 0.00 O ATOM 308 CB ILE A 24 1.201 -4.693 -1.379 1.00 0.00 C ATOM 309 CG1 ILE A 24 1.957 -5.606 -2.347 1.00 0.00 C ATOM 310 CG2 ILE A 24 1.980 -3.409 -1.135 1.00 0.00 C ATOM 311 CD1 ILE A 24 2.121 -5.015 -3.730 1.00 0.00 C ATOM 0 H ILE A 24 3.027 -5.420 0.156 1.00 0.00 H new ATOM 0 HA ILE A 24 0.370 -4.770 0.611 1.00 0.00 H new ATOM 0 HB ILE A 24 0.242 -4.433 -1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.942 -5.824 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.428 -6.556 -2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.156 -2.904 -2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.407 -2.755 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.936 -3.646 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.665 -5.716 -4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.139 -4.823 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.677 -4.080 -3.662 1.00 0.00 H new ATOM 323 N SER A 25 0.840 -7.791 -0.563 1.00 0.00 N ATOM 324 CA SER A 25 0.191 -9.067 -0.843 1.00 0.00 C ATOM 325 C SER A 25 -0.456 -9.635 0.416 1.00 0.00 C ATOM 326 O SER A 25 -1.656 -9.910 0.442 1.00 0.00 O ATOM 327 CB SER A 25 1.203 -10.065 -1.406 1.00 0.00 C ATOM 328 OG SER A 25 0.593 -11.318 -1.667 1.00 0.00 O ATOM 0 H SER A 25 1.859 -7.826 -0.568 1.00 0.00 H new ATOM 0 HA SER A 25 -0.589 -8.895 -1.585 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.636 -9.669 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.022 -10.196 -0.698 1.00 0.00 H new ATOM 0 HG SER A 25 1.261 -11.938 -2.028 1.00 0.00 H new ATOM 334 N ASP A 26 0.348 -9.809 1.459 1.00 0.00 N ATOM 335 CA ASP A 26 -0.144 -10.344 2.724 1.00 0.00 C ATOM 336 C ASP A 26 -1.279 -9.485 3.272 1.00 0.00 C ATOM 337 O ASP A 26 -2.393 -9.967 3.473 1.00 0.00 O ATOM 338 CB ASP A 26 0.992 -10.423 3.745 1.00 0.00 C ATOM 339 CG ASP A 26 0.706 -11.417 4.853 1.00 0.00 C ATOM 340 OD1 ASP A 26 0.227 -12.529 4.545 1.00 0.00 O ATOM 341 OD2 ASP A 26 0.962 -11.084 6.029 1.00 0.00 O ATOM 0 H ASP A 26 1.344 -9.587 1.454 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.528 -11.348 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.914 -10.705 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.156 -9.437 4.179 1.00 0.00 H new ATOM 346 N ASN A 27 -0.988 -8.211 3.512 1.00 0.00 N ATOM 347 CA ASN A 27 -1.984 -7.285 4.039 1.00 0.00 C ATOM 348 C ASN A 27 -3.168 -7.159 3.085 1.00 0.00 C ATOM 349 O ASN A 27 -3.094 -7.575 1.928 1.00 0.00 O ATOM 350 CB ASN A 27 -1.357 -5.910 4.276 1.00 0.00 C ATOM 351 CG ASN A 27 -0.540 -5.859 5.553 1.00 0.00 C ATOM 352 OD1 ASN A 27 -1.069 -5.585 6.631 1.00 0.00 O ATOM 353 ND2 ASN A 27 0.756 -6.123 5.437 1.00 0.00 N ATOM 0 H ASN A 27 -0.070 -7.796 3.350 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.346 -7.681 4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.720 -5.654 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.144 -5.158 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.356 -6.104 6.261 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.151 -6.345 4.523 1.00 0.00 H new ATOM 360 N CYS A 28 -4.259 -6.582 3.577 1.00 0.00 N ATOM 361 CA CYS A 28 -5.459 -6.400 2.770 1.00 0.00 C ATOM 362 C CYS A 28 -5.517 -4.989 2.193 1.00 0.00 C ATOM 363 O CYS A 28 -6.041 -4.775 1.099 1.00 0.00 O ATOM 364 CB CYS A 28 -6.709 -6.672 3.609 1.00 0.00 C ATOM 365 SG CYS A 28 -8.254 -6.062 2.861 1.00 0.00 S ATOM 0 H CYS A 28 -4.337 -6.232 4.532 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.423 -7.110 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.797 -7.746 3.773 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.584 -6.209 4.588 1.00 0.00 H new ATOM 370 N VAL A 29 -4.975 -4.029 2.935 1.00 0.00 N ATOM 371 CA VAL A 29 -4.964 -2.638 2.497 1.00 0.00 C ATOM 372 C VAL A 29 -3.784 -1.883 3.097 1.00 0.00 C ATOM 373 O VAL A 29 -3.635 -1.809 4.316 1.00 0.00 O ATOM 374 CB VAL A 29 -6.270 -1.918 2.882 1.00 0.00 C ATOM 375 CG1 VAL A 29 -6.198 -0.445 2.508 1.00 0.00 C ATOM 376 CG2 VAL A 29 -7.463 -2.588 2.218 1.00 0.00 C ATOM 0 H VAL A 29 -4.538 -4.189 3.843 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.871 -2.648 1.411 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.398 -1.988 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.129 0.047 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.367 0.024 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.046 -0.350 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.377 -2.066 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.345 -2.551 1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.523 -3.627 2.541 1.00 0.00 H new ATOM 386 N VAL A 30 -2.946 -1.322 2.231 1.00 0.00 N ATOM 387 CA VAL A 30 -1.778 -0.570 2.674 1.00 0.00 C ATOM 388 C VAL A 30 -1.801 0.853 2.128 1.00 0.00 C ATOM 389 O VAL A 30 -1.933 1.063 0.921 1.00 0.00 O ATOM 390 CB VAL A 30 -0.470 -1.255 2.238 1.00 0.00 C ATOM 391 CG1 VAL A 30 0.727 -0.368 2.545 1.00 0.00 C ATOM 392 CG2 VAL A 30 -0.327 -2.610 2.915 1.00 0.00 C ATOM 0 H VAL A 30 -3.054 -1.374 1.218 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.817 -0.539 3.763 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.506 -1.414 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.642 -0.870 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.627 0.576 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.771 -0.174 3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.603 -3.080 2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.313 -2.477 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.168 -3.245 2.639 1.00 0.00 H new ATOM 402 N ILE A 31 -1.670 1.827 3.022 1.00 0.00 N ATOM 403 CA ILE A 31 -1.674 3.231 2.628 1.00 0.00 C ATOM 404 C ILE A 31 -0.367 3.914 3.018 1.00 0.00 C ATOM 405 O ILE A 31 -0.121 4.184 4.193 1.00 0.00 O ATOM 406 CB ILE A 31 -2.849 3.992 3.270 1.00 0.00 C ATOM 407 CG1 ILE A 31 -4.176 3.323 2.908 1.00 0.00 C ATOM 408 CG2 ILE A 31 -2.844 5.446 2.824 1.00 0.00 C ATOM 409 CD1 ILE A 31 -5.378 3.972 3.559 1.00 0.00 C ATOM 0 H ILE A 31 -1.560 1.670 4.024 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.785 3.255 1.544 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.733 3.964 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.302 3.347 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.136 2.274 3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.680 5.971 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.908 5.916 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.940 5.494 1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.284 3.446 3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.275 3.924 4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.443 5.014 3.246 1.00 0.00 H new ATOM 421 N PHE A 32 0.467 4.194 2.022 1.00 0.00 N ATOM 422 CA PHE A 32 1.749 4.847 2.259 1.00 0.00 C ATOM 423 C PHE A 32 1.610 6.364 2.175 1.00 0.00 C ATOM 424 O PHE A 32 1.499 6.929 1.087 1.00 0.00 O ATOM 425 CB PHE A 32 2.788 4.362 1.246 1.00 0.00 C ATOM 426 CG PHE A 32 3.224 2.942 1.469 1.00 0.00 C ATOM 427 CD1 PHE A 32 4.073 2.619 2.515 1.00 0.00 C ATOM 428 CD2 PHE A 32 2.785 1.929 0.631 1.00 0.00 C ATOM 429 CE1 PHE A 32 4.476 1.313 2.722 1.00 0.00 C ATOM 430 CE2 PHE A 32 3.184 0.622 0.833 1.00 0.00 C ATOM 431 CZ PHE A 32 4.032 0.313 1.880 1.00 0.00 C ATOM 0 H PHE A 32 0.278 3.979 1.043 1.00 0.00 H new ATOM 0 HA PHE A 32 2.082 4.585 3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.375 4.453 0.241 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.661 5.013 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.424 3.397 3.177 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.123 2.164 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.138 1.075 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.834 -0.158 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.346 -0.708 2.039 1.00 0.00 H new ATOM 441 N SER A 33 1.617 7.018 3.332 1.00 0.00 N ATOM 442 CA SER A 33 1.487 8.470 3.390 1.00 0.00 C ATOM 443 C SER A 33 2.722 9.100 4.027 1.00 0.00 C ATOM 444 O SER A 33 3.417 8.467 4.822 1.00 0.00 O ATOM 445 CB SER A 33 0.236 8.860 4.180 1.00 0.00 C ATOM 446 OG SER A 33 0.466 8.772 5.576 1.00 0.00 O ATOM 0 H SER A 33 1.711 6.566 4.242 1.00 0.00 H new ATOM 0 HA SER A 33 1.395 8.843 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.060 9.877 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.591 8.207 3.903 1.00 0.00 H new ATOM 0 HG SER A 33 -0.384 8.871 6.054 1.00 0.00 H new ATOM 452 N LYS A 34 2.988 10.353 3.673 1.00 0.00 N ATOM 453 CA LYS A 34 4.137 11.072 4.209 1.00 0.00 C ATOM 454 C LYS A 34 3.690 12.271 5.039 1.00 0.00 C ATOM 455 O LYS A 34 2.770 12.996 4.658 1.00 0.00 O ATOM 456 CB LYS A 34 5.050 11.538 3.072 1.00 0.00 C ATOM 457 CG LYS A 34 4.745 12.944 2.585 1.00 0.00 C ATOM 458 CD LYS A 34 5.343 13.200 1.212 1.00 0.00 C ATOM 459 CE LYS A 34 6.862 13.242 1.264 1.00 0.00 C ATOM 460 NZ LYS A 34 7.430 14.126 0.209 1.00 0.00 N ATOM 0 H LYS A 34 2.423 10.892 3.017 1.00 0.00 H new ATOM 0 HA LYS A 34 4.690 10.391 4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.086 11.496 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.958 10.845 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.666 13.090 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.140 13.670 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.023 12.418 0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.965 14.144 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.182 13.595 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.257 12.233 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.468 14.127 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.146 13.775 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.073 15.094 0.338 1.00 0.00 H new ATOM 474 N THR A 35 4.347 12.476 6.177 1.00 0.00 N ATOM 475 CA THR A 35 4.017 13.587 7.060 1.00 0.00 C ATOM 476 C THR A 35 4.226 14.926 6.362 1.00 0.00 C ATOM 477 O THR A 35 3.507 15.891 6.621 1.00 0.00 O ATOM 478 CB THR A 35 4.865 13.553 8.346 1.00 0.00 C ATOM 479 OG1 THR A 35 6.244 13.771 8.029 1.00 0.00 O ATOM 480 CG2 THR A 35 4.708 12.220 9.062 1.00 0.00 C ATOM 0 H THR A 35 5.111 11.887 6.508 1.00 0.00 H new ATOM 0 HA THR A 35 2.965 13.479 7.324 1.00 0.00 H new ATOM 0 HB THR A 35 4.515 14.346 9.007 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.776 13.749 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.316 12.219 9.967 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.661 12.071 9.328 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.034 11.414 8.405 1.00 0.00 H new ATOM 488 N SER A 36 5.215 14.977 5.476 1.00 0.00 N ATOM 489 CA SER A 36 5.521 16.200 4.742 1.00 0.00 C ATOM 490 C SER A 36 4.268 16.764 4.080 1.00 0.00 C ATOM 491 O SER A 36 4.130 17.977 3.919 1.00 0.00 O ATOM 492 CB SER A 36 6.593 15.930 3.684 1.00 0.00 C ATOM 493 OG SER A 36 7.079 17.141 3.130 1.00 0.00 O ATOM 0 H SER A 36 5.818 14.186 5.249 1.00 0.00 H new ATOM 0 HA SER A 36 5.898 16.936 5.452 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.417 15.374 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.179 15.305 2.893 1.00 0.00 H new ATOM 0 HG SER A 36 7.764 16.942 2.458 1.00 0.00 H new ATOM 499 N CYS A 37 3.357 15.875 3.698 1.00 0.00 N ATOM 500 CA CYS A 37 2.115 16.283 3.052 1.00 0.00 C ATOM 501 C CYS A 37 0.937 16.165 4.014 1.00 0.00 C ATOM 502 O CYS A 37 1.034 15.510 5.052 1.00 0.00 O ATOM 503 CB CYS A 37 1.859 15.432 1.807 1.00 0.00 C ATOM 504 SG CYS A 37 2.576 16.107 0.291 1.00 0.00 S ATOM 0 H CYS A 37 3.456 14.868 3.825 1.00 0.00 H new ATOM 0 HA CYS A 37 2.215 17.327 2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.262 14.433 1.974 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.783 15.322 1.670 1.00 0.00 H new ATOM 0 HG CYS A 37 2.308 15.316 -0.705 1.00 0.00 H new ATOM 510 N SER A 38 -0.174 16.805 3.663 1.00 0.00 N ATOM 511 CA SER A 38 -1.368 16.776 4.499 1.00 0.00 C ATOM 512 C SER A 38 -2.318 15.669 4.051 1.00 0.00 C ATOM 513 O SER A 38 -2.865 14.934 4.874 1.00 0.00 O ATOM 514 CB SER A 38 -2.084 18.127 4.449 1.00 0.00 C ATOM 515 OG SER A 38 -1.525 19.035 5.384 1.00 0.00 O ATOM 0 H SER A 38 -0.272 17.349 2.806 1.00 0.00 H new ATOM 0 HA SER A 38 -1.059 16.574 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.011 18.544 3.444 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.144 17.988 4.661 1.00 0.00 H new ATOM 0 HG SER A 38 -1.998 19.891 5.332 1.00 0.00 H new ATOM 521 N TYR A 39 -2.508 15.555 2.742 1.00 0.00 N ATOM 522 CA TYR A 39 -3.393 14.540 2.183 1.00 0.00 C ATOM 523 C TYR A 39 -3.227 13.211 2.914 1.00 0.00 C ATOM 524 O TYR A 39 -4.137 12.381 2.930 1.00 0.00 O ATOM 525 CB TYR A 39 -3.111 14.352 0.691 1.00 0.00 C ATOM 526 CG TYR A 39 -3.559 15.518 -0.161 1.00 0.00 C ATOM 527 CD1 TYR A 39 -2.708 16.587 -0.414 1.00 0.00 C ATOM 528 CD2 TYR A 39 -4.834 15.552 -0.712 1.00 0.00 C ATOM 529 CE1 TYR A 39 -3.113 17.654 -1.191 1.00 0.00 C ATOM 530 CE2 TYR A 39 -5.248 16.615 -1.491 1.00 0.00 C ATOM 531 CZ TYR A 39 -4.384 17.663 -1.728 1.00 0.00 C ATOM 532 OH TYR A 39 -4.792 18.725 -2.503 1.00 0.00 O ATOM 0 H TYR A 39 -2.061 16.153 2.047 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.421 14.880 2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.041 14.198 0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.612 13.447 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.712 16.583 0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -5.513 14.733 -0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.439 18.477 -1.377 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.243 16.625 -1.912 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.712 18.575 -2.804 1.00 0.00 H new ATOM 542 N CYS A 40 -2.060 13.018 3.519 1.00 0.00 N ATOM 543 CA CYS A 40 -1.774 11.790 4.253 1.00 0.00 C ATOM 544 C CYS A 40 -2.931 11.426 5.177 1.00 0.00 C ATOM 545 O CYS A 40 -3.281 10.254 5.321 1.00 0.00 O ATOM 546 CB CYS A 40 -0.486 11.945 5.064 1.00 0.00 C ATOM 547 SG CYS A 40 -0.562 13.235 6.329 1.00 0.00 S ATOM 0 H CYS A 40 -1.297 13.695 3.516 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.645 10.985 3.530 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.254 10.994 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.335 12.167 4.383 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.062 14.337 5.855 1.00 0.00 H new ATOM 553 N THR A 41 -3.521 12.439 5.804 1.00 0.00 N ATOM 554 CA THR A 41 -4.637 12.226 6.717 1.00 0.00 C ATOM 555 C THR A 41 -5.920 11.915 5.955 1.00 0.00 C ATOM 556 O THR A 41 -6.688 11.037 6.346 1.00 0.00 O ATOM 557 CB THR A 41 -4.872 13.456 7.614 1.00 0.00 C ATOM 558 OG1 THR A 41 -5.740 13.112 8.700 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.478 14.600 6.816 1.00 0.00 C ATOM 0 H THR A 41 -3.244 13.415 5.696 1.00 0.00 H new ATOM 0 HA THR A 41 -4.374 11.373 7.343 1.00 0.00 H new ATOM 0 HB THR A 41 -3.909 13.780 8.008 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.883 13.899 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.635 15.457 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.801 14.879 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.433 14.285 6.396 1.00 0.00 H new ATOM 567 N MET A 42 -6.145 12.641 4.865 1.00 0.00 N ATOM 568 CA MET A 42 -7.336 12.440 4.046 1.00 0.00 C ATOM 569 C MET A 42 -7.608 10.954 3.838 1.00 0.00 C ATOM 570 O MET A 42 -8.624 10.430 4.295 1.00 0.00 O ATOM 571 CB MET A 42 -7.173 13.135 2.693 1.00 0.00 C ATOM 572 CG MET A 42 -7.717 14.554 2.668 1.00 0.00 C ATOM 573 SD MET A 42 -9.501 14.609 2.409 1.00 0.00 S ATOM 574 CE MET A 42 -9.647 13.705 0.870 1.00 0.00 C ATOM 0 H MET A 42 -5.520 13.373 4.528 1.00 0.00 H new ATOM 0 HA MET A 42 -8.186 12.877 4.571 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.115 13.156 2.430 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.680 12.547 1.928 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.475 15.049 3.609 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.221 15.115 1.876 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.486 14.098 0.295 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.729 13.817 0.294 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.816 12.649 1.083 1.00 0.00 H new ATOM 584 N ALA A 43 -6.695 10.280 3.147 1.00 0.00 N ATOM 585 CA ALA A 43 -6.837 8.854 2.881 1.00 0.00 C ATOM 586 C ALA A 43 -7.271 8.102 4.135 1.00 0.00 C ATOM 587 O ALA A 43 -8.153 7.244 4.083 1.00 0.00 O ATOM 588 CB ALA A 43 -5.531 8.284 2.347 1.00 0.00 C ATOM 0 H ALA A 43 -5.849 10.699 2.761 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.612 8.726 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.652 7.218 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.263 8.794 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.741 8.431 3.084 1.00 0.00 H new ATOM 594 N LYS A 44 -6.646 8.429 5.261 1.00 0.00 N ATOM 595 CA LYS A 44 -6.967 7.785 6.529 1.00 0.00 C ATOM 596 C LYS A 44 -8.418 8.048 6.920 1.00 0.00 C ATOM 597 O LYS A 44 -9.125 7.144 7.367 1.00 0.00 O ATOM 598 CB LYS A 44 -6.032 8.288 7.631 1.00 0.00 C ATOM 599 CG LYS A 44 -4.680 7.595 7.644 1.00 0.00 C ATOM 600 CD LYS A 44 -3.582 8.526 8.129 1.00 0.00 C ATOM 601 CE LYS A 44 -3.680 8.771 9.627 1.00 0.00 C ATOM 602 NZ LYS A 44 -3.297 7.565 10.413 1.00 0.00 N ATOM 0 H LYS A 44 -5.914 9.137 5.321 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.830 6.710 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.880 9.360 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.514 8.145 8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.726 6.718 8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.442 7.241 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.609 8.096 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.649 9.476 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.033 9.604 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.699 9.062 9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.005 7.395 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.252 6.739 9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.366 7.717 10.851 1.00 0.00 H new ATOM 616 N LYS A 45 -8.857 9.290 6.748 1.00 0.00 N ATOM 617 CA LYS A 45 -10.224 9.672 7.080 1.00 0.00 C ATOM 618 C LYS A 45 -11.229 8.827 6.303 1.00 0.00 C ATOM 619 O LYS A 45 -12.227 8.365 6.857 1.00 0.00 O ATOM 620 CB LYS A 45 -10.448 11.156 6.780 1.00 0.00 C ATOM 621 CG LYS A 45 -11.447 11.820 7.712 1.00 0.00 C ATOM 622 CD LYS A 45 -10.761 12.429 8.923 1.00 0.00 C ATOM 623 CE LYS A 45 -11.665 12.406 10.146 1.00 0.00 C ATOM 624 NZ LYS A 45 -10.886 12.492 11.412 1.00 0.00 N ATOM 0 H LYS A 45 -8.285 10.050 6.380 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.376 9.497 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.495 11.680 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.796 11.262 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.990 12.596 7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.183 11.086 8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.844 11.880 9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.473 13.457 8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.367 13.238 10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.255 11.490 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.537 12.473 12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.234 11.684 11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.342 13.378 11.425 1.00 0.00 H new ATOM 638 N LEU A 46 -10.959 8.629 5.017 1.00 0.00 N ATOM 639 CA LEU A 46 -11.839 7.839 4.164 1.00 0.00 C ATOM 640 C LEU A 46 -12.078 6.456 4.760 1.00 0.00 C ATOM 641 O LEU A 46 -13.207 6.100 5.097 1.00 0.00 O ATOM 642 CB LEU A 46 -11.238 7.706 2.763 1.00 0.00 C ATOM 643 CG LEU A 46 -11.947 6.735 1.818 1.00 0.00 C ATOM 644 CD1 LEU A 46 -13.367 7.204 1.538 1.00 0.00 C ATOM 645 CD2 LEU A 46 -11.166 6.587 0.521 1.00 0.00 C ATOM 0 H LEU A 46 -10.138 9.005 4.543 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.797 8.355 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.228 8.692 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.199 7.391 2.863 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.997 5.759 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.856 6.501 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.924 7.257 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -13.340 8.191 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.685 5.892 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.083 7.558 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.169 6.204 0.738 1.00 0.00 H new ATOM 657 N PHE A 47 -11.007 5.680 4.891 1.00 0.00 N ATOM 658 CA PHE A 47 -11.099 4.336 5.449 1.00 0.00 C ATOM 659 C PHE A 47 -11.574 4.380 6.898 1.00 0.00 C ATOM 660 O PHE A 47 -12.575 3.758 7.255 1.00 0.00 O ATOM 661 CB PHE A 47 -9.744 3.632 5.366 1.00 0.00 C ATOM 662 CG PHE A 47 -9.369 3.216 3.972 1.00 0.00 C ATOM 663 CD1 PHE A 47 -9.824 2.018 3.446 1.00 0.00 C ATOM 664 CD2 PHE A 47 -8.560 4.023 3.188 1.00 0.00 C ATOM 665 CE1 PHE A 47 -9.481 1.632 2.164 1.00 0.00 C ATOM 666 CE2 PHE A 47 -8.214 3.643 1.905 1.00 0.00 C ATOM 667 CZ PHE A 47 -8.674 2.446 1.393 1.00 0.00 C ATOM 0 H PHE A 47 -10.065 5.959 4.618 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.828 3.776 4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.974 4.296 5.758 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.761 2.751 6.007 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.455 1.378 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.196 4.959 3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.843 0.696 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.584 4.282 1.303 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.403 2.147 0.391 1.00 0.00 H new ATOM 677 N HIS A 48 -10.848 5.120 7.730 1.00 0.00 N ATOM 678 CA HIS A 48 -11.194 5.246 9.142 1.00 0.00 C ATOM 679 C HIS A 48 -12.697 5.443 9.317 1.00 0.00 C ATOM 680 O HIS A 48 -13.322 4.805 10.164 1.00 0.00 O ATOM 681 CB HIS A 48 -10.438 6.416 9.772 1.00 0.00 C ATOM 682 CG HIS A 48 -10.391 6.363 11.268 1.00 0.00 C ATOM 683 ND1 HIS A 48 -9.461 7.053 12.017 1.00 0.00 N ATOM 684 CD2 HIS A 48 -11.168 5.698 12.155 1.00 0.00 C ATOM 685 CE1 HIS A 48 -9.667 6.813 13.299 1.00 0.00 C ATOM 686 NE2 HIS A 48 -10.697 5.994 13.410 1.00 0.00 N ATOM 0 H HIS A 48 -10.017 5.641 7.451 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.905 4.323 9.645 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.419 6.430 9.385 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -10.909 7.350 9.464 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.003 5.055 11.919 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.091 7.218 14.118 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.080 5.639 14.286 1.00 0.00 H new ATOM 694 N ASP A 49 -13.270 6.331 8.512 1.00 0.00 N ATOM 695 CA ASP A 49 -14.699 6.613 8.578 1.00 0.00 C ATOM 696 C ASP A 49 -15.513 5.402 8.129 1.00 0.00 C ATOM 697 O ASP A 49 -16.594 5.140 8.654 1.00 0.00 O ATOM 698 CB ASP A 49 -15.043 7.824 7.709 1.00 0.00 C ATOM 699 CG ASP A 49 -14.873 9.135 8.452 1.00 0.00 C ATOM 700 OD1 ASP A 49 -15.408 9.255 9.573 1.00 0.00 O ATOM 701 OD2 ASP A 49 -14.206 10.042 7.910 1.00 0.00 O ATOM 0 H ASP A 49 -12.767 6.868 7.806 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.953 6.836 9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.406 7.826 6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -16.072 7.737 7.361 1.00 0.00 H new ATOM 706 N MET A 50 -14.985 4.670 7.154 1.00 0.00 N ATOM 707 CA MET A 50 -15.662 3.487 6.635 1.00 0.00 C ATOM 708 C MET A 50 -15.519 2.312 7.597 1.00 0.00 C ATOM 709 O MET A 50 -16.221 1.309 7.475 1.00 0.00 O ATOM 710 CB MET A 50 -15.097 3.110 5.264 1.00 0.00 C ATOM 711 CG MET A 50 -15.246 4.207 4.223 1.00 0.00 C ATOM 712 SD MET A 50 -13.933 4.176 2.988 1.00 0.00 S ATOM 713 CE MET A 50 -14.058 2.487 2.403 1.00 0.00 C ATOM 0 H MET A 50 -14.091 4.875 6.707 1.00 0.00 H new ATOM 0 HA MET A 50 -16.721 3.722 6.532 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.041 2.863 5.371 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.600 2.211 4.907 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.210 4.102 3.725 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.248 5.177 4.721 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.164 1.935 2.692 1.00 0.00 H new ATOM 0 HE2 MET A 50 -14.935 2.013 2.844 1.00 0.00 H new ATOM 0 HE3 MET A 50 -14.151 2.484 1.317 1.00 0.00 H new ATOM 723 N ASN A 51 -14.606 2.444 8.554 1.00 0.00 N ATOM 724 CA ASN A 51 -14.371 1.393 9.537 1.00 0.00 C ATOM 725 C ASN A 51 -13.719 0.176 8.886 1.00 0.00 C ATOM 726 O ASN A 51 -13.910 -0.956 9.331 1.00 0.00 O ATOM 727 CB ASN A 51 -15.686 0.986 10.203 1.00 0.00 C ATOM 728 CG ASN A 51 -15.488 0.503 11.627 1.00 0.00 C ATOM 729 OD1 ASN A 51 -14.458 0.769 12.247 1.00 0.00 O ATOM 730 ND2 ASN A 51 -16.477 -0.211 12.153 1.00 0.00 N ATOM 0 H ASN A 51 -14.017 3.269 8.669 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.693 1.784 10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.369 1.836 10.202 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.158 0.197 9.617 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.401 -0.563 13.107 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.313 -0.407 11.603 1.00 0.00 H new ATOM 737 N VAL A 52 -12.949 0.418 7.830 1.00 0.00 N ATOM 738 CA VAL A 52 -12.268 -0.657 7.119 1.00 0.00 C ATOM 739 C VAL A 52 -10.826 -0.802 7.593 1.00 0.00 C ATOM 740 O VAL A 52 -9.950 -0.037 7.192 1.00 0.00 O ATOM 741 CB VAL A 52 -12.275 -0.417 5.598 1.00 0.00 C ATOM 742 CG1 VAL A 52 -11.521 -1.525 4.878 1.00 0.00 C ATOM 743 CG2 VAL A 52 -13.702 -0.309 5.083 1.00 0.00 C ATOM 0 H VAL A 52 -12.781 1.349 7.448 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.813 -1.575 7.337 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.767 0.526 5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.537 -1.338 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.489 -1.549 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.996 -2.483 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.688 -0.139 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.237 -1.234 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.204 0.524 5.575 1.00 0.00 H new ATOM 753 N ASN A 53 -10.587 -1.790 8.449 1.00 0.00 N ATOM 754 CA ASN A 53 -9.250 -2.036 8.979 1.00 0.00 C ATOM 755 C ASN A 53 -8.191 -1.828 7.900 1.00 0.00 C ATOM 756 O ASN A 53 -8.082 -2.618 6.962 1.00 0.00 O ATOM 757 CB ASN A 53 -9.154 -3.458 9.537 1.00 0.00 C ATOM 758 CG ASN A 53 -9.587 -3.540 10.988 1.00 0.00 C ATOM 759 OD1 ASN A 53 -10.778 -3.491 11.295 1.00 0.00 O ATOM 760 ND2 ASN A 53 -8.618 -3.665 11.888 1.00 0.00 N ATOM 0 H ASN A 53 -11.301 -2.433 8.791 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.068 -1.324 9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.775 -4.123 8.937 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.127 -3.812 9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.848 -3.725 12.880 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.644 -3.701 11.587 1.00 0.00 H new ATOM 767 N TYR A 54 -7.413 -0.761 8.041 1.00 0.00 N ATOM 768 CA TYR A 54 -6.364 -0.448 7.079 1.00 0.00 C ATOM 769 C TYR A 54 -5.004 -0.358 7.765 1.00 0.00 C ATOM 770 O TYR A 54 -4.910 -0.398 8.992 1.00 0.00 O ATOM 771 CB TYR A 54 -6.674 0.869 6.364 1.00 0.00 C ATOM 772 CG TYR A 54 -6.633 2.076 7.274 1.00 0.00 C ATOM 773 CD1 TYR A 54 -7.651 2.316 8.188 1.00 0.00 C ATOM 774 CD2 TYR A 54 -5.577 2.976 7.218 1.00 0.00 C ATOM 775 CE1 TYR A 54 -7.618 3.418 9.021 1.00 0.00 C ATOM 776 CE2 TYR A 54 -5.535 4.080 8.048 1.00 0.00 C ATOM 777 CZ TYR A 54 -6.558 4.297 8.947 1.00 0.00 C ATOM 778 OH TYR A 54 -6.520 5.396 9.774 1.00 0.00 O ATOM 0 H TYR A 54 -7.489 -0.098 8.813 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.328 -1.253 6.345 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.958 1.010 5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.662 0.802 5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.483 1.630 8.249 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.775 2.810 6.514 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.418 3.590 9.726 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.705 4.769 7.993 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.588 5.631 9.963 1.00 0.00 H new ATOM 788 N LYS A 55 -3.951 -0.237 6.964 1.00 0.00 N ATOM 789 CA LYS A 55 -2.595 -0.139 7.491 1.00 0.00 C ATOM 790 C LYS A 55 -1.847 1.029 6.856 1.00 0.00 C ATOM 791 O LYS A 55 -1.526 1.001 5.667 1.00 0.00 O ATOM 792 CB LYS A 55 -1.834 -1.443 7.240 1.00 0.00 C ATOM 793 CG LYS A 55 -0.769 -1.736 8.283 1.00 0.00 C ATOM 794 CD LYS A 55 0.547 -1.056 7.942 1.00 0.00 C ATOM 795 CE LYS A 55 1.450 -1.967 7.125 1.00 0.00 C ATOM 796 NZ LYS A 55 1.236 -1.791 5.661 1.00 0.00 N ATOM 0 H LYS A 55 -4.011 -0.204 5.946 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.661 0.036 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.544 -2.270 7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.365 -1.397 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.112 -1.397 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.615 -2.813 8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.351 -0.141 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.057 -0.766 8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.492 -1.758 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.261 -3.005 7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.915 -2.689 5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.515 -1.059 5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.128 -1.502 5.212 1.00 0.00 H new ATOM 810 N VAL A 56 -1.571 2.054 7.655 1.00 0.00 N ATOM 811 CA VAL A 56 -0.859 3.230 7.172 1.00 0.00 C ATOM 812 C VAL A 56 0.607 3.195 7.590 1.00 0.00 C ATOM 813 O VAL A 56 0.935 2.810 8.712 1.00 0.00 O ATOM 814 CB VAL A 56 -1.499 4.529 7.696 1.00 0.00 C ATOM 815 CG1 VAL A 56 -0.894 4.920 9.036 1.00 0.00 C ATOM 816 CG2 VAL A 56 -1.337 5.650 6.681 1.00 0.00 C ATOM 0 H VAL A 56 -1.830 2.094 8.641 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.925 3.214 6.084 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.565 4.355 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.359 5.840 9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.068 4.124 9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.178 5.077 8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.795 6.560 7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.277 5.826 6.500 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.823 5.368 5.747 1.00 0.00 H new ATOM 826 N VAL A 57 1.486 3.601 6.679 1.00 0.00 N ATOM 827 CA VAL A 57 2.918 3.617 6.952 1.00 0.00 C ATOM 828 C VAL A 57 3.523 4.980 6.635 1.00 0.00 C ATOM 829 O VAL A 57 3.680 5.344 5.470 1.00 0.00 O ATOM 830 CB VAL A 57 3.658 2.538 6.139 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.151 2.582 6.427 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.089 1.160 6.442 1.00 0.00 C ATOM 0 H VAL A 57 1.231 3.923 5.745 1.00 0.00 H new ATOM 0 HA VAL A 57 3.039 3.407 8.015 1.00 0.00 H new ATOM 0 HB VAL A 57 3.511 2.742 5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.657 1.813 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.545 3.561 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.322 2.404 7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.623 0.410 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.204 0.944 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.031 1.137 6.180 1.00 0.00 H new ATOM 842 N GLU A 58 3.860 5.730 7.680 1.00 0.00 N ATOM 843 CA GLU A 58 4.447 7.054 7.511 1.00 0.00 C ATOM 844 C GLU A 58 5.883 6.952 7.005 1.00 0.00 C ATOM 845 O GLU A 58 6.806 6.677 7.772 1.00 0.00 O ATOM 846 CB GLU A 58 4.415 7.823 8.834 1.00 0.00 C ATOM 847 CG GLU A 58 3.031 7.903 9.457 1.00 0.00 C ATOM 848 CD GLU A 58 2.727 6.722 10.357 1.00 0.00 C ATOM 849 OE1 GLU A 58 3.674 6.182 10.968 1.00 0.00 O ATOM 850 OE2 GLU A 58 1.543 6.336 10.451 1.00 0.00 O ATOM 0 H GLU A 58 3.737 5.444 8.651 1.00 0.00 H new ATOM 0 HA GLU A 58 3.856 7.593 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.095 7.345 9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.788 8.833 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.949 8.825 10.033 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.283 7.954 8.666 1.00 0.00 H new ATOM 857 N LEU A 59 6.063 7.175 5.708 1.00 0.00 N ATOM 858 CA LEU A 59 7.386 7.108 5.097 1.00 0.00 C ATOM 859 C LEU A 59 8.295 8.204 5.644 1.00 0.00 C ATOM 860 O LEU A 59 9.431 7.942 6.040 1.00 0.00 O ATOM 861 CB LEU A 59 7.275 7.235 3.576 1.00 0.00 C ATOM 862 CG LEU A 59 6.592 6.073 2.854 1.00 0.00 C ATOM 863 CD1 LEU A 59 6.348 6.421 1.394 1.00 0.00 C ATOM 864 CD2 LEU A 59 7.429 4.808 2.970 1.00 0.00 C ATOM 0 H LEU A 59 5.310 7.404 5.059 1.00 0.00 H new ATOM 0 HA LEU A 59 7.824 6.141 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.729 8.150 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.279 7.351 3.167 1.00 0.00 H new ATOM 0 HG LEU A 59 5.628 5.892 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.861 5.582 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.708 7.301 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.300 6.630 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.928 3.991 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.408 4.977 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.552 4.548 4.021 1.00 0.00 H new ATOM 876 N ASP A 60 7.787 9.431 5.666 1.00 0.00 N ATOM 877 CA ASP A 60 8.551 10.567 6.169 1.00 0.00 C ATOM 878 C ASP A 60 9.214 10.229 7.500 1.00 0.00 C ATOM 879 O ASP A 60 10.333 10.664 7.777 1.00 0.00 O ATOM 880 CB ASP A 60 7.644 11.787 6.331 1.00 0.00 C ATOM 881 CG ASP A 60 8.429 13.073 6.504 1.00 0.00 C ATOM 882 OD1 ASP A 60 9.177 13.183 7.498 1.00 0.00 O ATOM 883 OD2 ASP A 60 8.296 13.968 5.644 1.00 0.00 O ATOM 0 H ASP A 60 6.849 9.665 5.341 1.00 0.00 H new ATOM 0 HA ASP A 60 9.331 10.799 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.997 11.874 5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.995 11.642 7.195 1.00 0.00 H new ATOM 888 N LEU A 61 8.517 9.452 8.322 1.00 0.00 N ATOM 889 CA LEU A 61 9.037 9.056 9.626 1.00 0.00 C ATOM 890 C LEU A 61 10.036 7.912 9.490 1.00 0.00 C ATOM 891 O LEU A 61 11.086 7.910 10.133 1.00 0.00 O ATOM 892 CB LEU A 61 7.891 8.640 10.550 1.00 0.00 C ATOM 893 CG LEU A 61 6.811 9.694 10.796 1.00 0.00 C ATOM 894 CD1 LEU A 61 5.683 9.117 11.637 1.00 0.00 C ATOM 895 CD2 LEU A 61 7.407 10.921 11.470 1.00 0.00 C ATOM 0 H LEU A 61 7.590 9.084 8.108 1.00 0.00 H new ATOM 0 HA LEU A 61 9.552 9.914 10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.416 7.753 10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.313 8.350 11.512 1.00 0.00 H new ATOM 0 HG LEU A 61 6.400 9.997 9.833 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.924 9.882 11.802 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.237 8.270 11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.078 8.785 12.597 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.624 11.661 11.637 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.845 10.634 12.426 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.179 11.348 10.830 1.00 0.00 H new ATOM 907 N LEU A 62 9.703 6.941 8.646 1.00 0.00 N ATOM 908 CA LEU A 62 10.572 5.791 8.422 1.00 0.00 C ATOM 909 C LEU A 62 12.014 6.234 8.195 1.00 0.00 C ATOM 910 O LEU A 62 12.313 6.934 7.228 1.00 0.00 O ATOM 911 CB LEU A 62 10.081 4.981 7.221 1.00 0.00 C ATOM 912 CG LEU A 62 9.077 3.869 7.527 1.00 0.00 C ATOM 913 CD1 LEU A 62 8.651 3.167 6.247 1.00 0.00 C ATOM 914 CD2 LEU A 62 9.669 2.872 8.513 1.00 0.00 C ATOM 0 H LEU A 62 8.838 6.927 8.106 1.00 0.00 H new ATOM 0 HA LEU A 62 10.539 5.164 9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.626 5.667 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.946 4.537 6.729 1.00 0.00 H new ATOM 0 HG LEU A 62 8.194 4.318 7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.937 2.379 6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.186 3.888 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.525 2.731 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.941 2.088 8.719 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.569 2.429 8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.922 3.385 9.441 1.00 0.00 H new ATOM 926 N GLU A 63 12.904 5.819 9.092 1.00 0.00 N ATOM 927 CA GLU A 63 14.315 6.172 8.987 1.00 0.00 C ATOM 928 C GLU A 63 14.812 6.010 7.554 1.00 0.00 C ATOM 929 O GLU A 63 15.556 6.848 7.044 1.00 0.00 O ATOM 930 CB GLU A 63 15.151 5.305 9.930 1.00 0.00 C ATOM 931 CG GLU A 63 15.134 3.828 9.575 1.00 0.00 C ATOM 932 CD GLU A 63 15.811 2.968 10.625 1.00 0.00 C ATOM 933 OE1 GLU A 63 15.221 2.782 11.710 1.00 0.00 O ATOM 934 OE2 GLU A 63 16.931 2.481 10.361 1.00 0.00 O ATOM 0 H GLU A 63 12.673 5.239 9.898 1.00 0.00 H new ATOM 0 HA GLU A 63 14.424 7.218 9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.181 5.661 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.781 5.430 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.102 3.500 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.631 3.683 8.616 1.00 0.00 H new ATOM 941 N TYR A 64 14.395 4.925 6.909 1.00 0.00 N ATOM 942 CA TYR A 64 14.800 4.650 5.536 1.00 0.00 C ATOM 943 C TYR A 64 13.716 5.081 4.552 1.00 0.00 C ATOM 944 O TYR A 64 13.484 4.422 3.539 1.00 0.00 O ATOM 945 CB TYR A 64 15.102 3.161 5.359 1.00 0.00 C ATOM 946 CG TYR A 64 14.128 2.256 6.079 1.00 0.00 C ATOM 947 CD1 TYR A 64 12.860 2.017 5.562 1.00 0.00 C ATOM 948 CD2 TYR A 64 14.474 1.641 7.275 1.00 0.00 C ATOM 949 CE1 TYR A 64 11.966 1.192 6.216 1.00 0.00 C ATOM 950 CE2 TYR A 64 13.586 0.813 7.936 1.00 0.00 C ATOM 951 CZ TYR A 64 12.334 0.592 7.402 1.00 0.00 C ATOM 952 OH TYR A 64 11.447 -0.231 8.057 1.00 0.00 O ATOM 0 H TYR A 64 13.777 4.223 7.315 1.00 0.00 H new ATOM 0 HA TYR A 64 15.703 5.224 5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 64 15.091 2.920 4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 64 16.110 2.958 5.721 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.569 2.484 4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 64 15.454 1.813 7.696 1.00 0.00 H new ATOM 0 HE1 TYR A 64 10.984 1.018 5.801 1.00 0.00 H new ATOM 0 HE2 TYR A 64 13.871 0.342 8.865 1.00 0.00 H new ATOM 0 HH TYR A 64 11.862 -0.574 8.876 1.00 0.00 H new ATOM 962 N GLY A 65 13.055 6.193 4.859 1.00 0.00 N ATOM 963 CA GLY A 65 12.004 6.694 3.993 1.00 0.00 C ATOM 964 C GLY A 65 12.456 6.831 2.552 1.00 0.00 C ATOM 965 O GLY A 65 11.804 6.325 1.640 1.00 0.00 O ATOM 0 H GLY A 65 13.229 6.756 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.148 6.021 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.668 7.664 4.359 1.00 0.00 H new ATOM 969 N ASN A 66 13.575 7.518 2.347 1.00 0.00 N ATOM 970 CA ASN A 66 14.112 7.722 1.007 1.00 0.00 C ATOM 971 C ASN A 66 14.215 6.398 0.255 1.00 0.00 C ATOM 972 O ASN A 66 14.131 6.363 -0.972 1.00 0.00 O ATOM 973 CB ASN A 66 15.487 8.387 1.081 1.00 0.00 C ATOM 974 CG ASN A 66 16.382 7.997 -0.079 1.00 0.00 C ATOM 975 OD1 ASN A 66 17.437 7.392 0.112 1.00 0.00 O ATOM 976 ND2 ASN A 66 15.963 8.343 -1.291 1.00 0.00 N ATOM 0 H ASN A 66 14.127 7.943 3.092 1.00 0.00 H new ATOM 0 HA ASN A 66 13.429 8.376 0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.363 9.470 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.971 8.111 2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.523 8.108 -2.111 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.081 8.844 -1.402 1.00 0.00 H new ATOM 983 N GLN A 67 14.396 5.313 1.000 1.00 0.00 N ATOM 984 CA GLN A 67 14.511 3.987 0.404 1.00 0.00 C ATOM 985 C GLN A 67 13.164 3.515 -0.135 1.00 0.00 C ATOM 986 O GLN A 67 12.955 3.457 -1.347 1.00 0.00 O ATOM 987 CB GLN A 67 15.041 2.987 1.432 1.00 0.00 C ATOM 988 CG GLN A 67 16.361 3.403 2.061 1.00 0.00 C ATOM 989 CD GLN A 67 17.514 3.367 1.077 1.00 0.00 C ATOM 990 OE1 GLN A 67 17.365 2.905 -0.054 1.00 0.00 O ATOM 991 NE2 GLN A 67 18.672 3.856 1.504 1.00 0.00 N ATOM 0 H GLN A 67 14.466 5.326 2.018 1.00 0.00 H new ATOM 0 HA GLN A 67 15.213 4.049 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.298 2.859 2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.167 2.017 0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.265 4.411 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.583 2.743 2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.750 4.229 2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.483 3.859 0.886 1.00 0.00 H new ATOM 1000 N PHE A 68 12.254 3.178 0.773 1.00 0.00 N ATOM 1001 CA PHE A 68 10.928 2.709 0.388 1.00 0.00 C ATOM 1002 C PHE A 68 10.226 3.732 -0.501 1.00 0.00 C ATOM 1003 O PHE A 68 9.347 3.384 -1.288 1.00 0.00 O ATOM 1004 CB PHE A 68 10.082 2.432 1.632 1.00 0.00 C ATOM 1005 CG PHE A 68 10.380 1.109 2.278 1.00 0.00 C ATOM 1006 CD1 PHE A 68 11.661 0.809 2.714 1.00 0.00 C ATOM 1007 CD2 PHE A 68 9.380 0.165 2.448 1.00 0.00 C ATOM 1008 CE1 PHE A 68 11.939 -0.408 3.308 1.00 0.00 C ATOM 1009 CE2 PHE A 68 9.652 -1.053 3.043 1.00 0.00 C ATOM 1010 CZ PHE A 68 10.933 -1.340 3.472 1.00 0.00 C ATOM 0 H PHE A 68 12.410 3.221 1.780 1.00 0.00 H new ATOM 0 HA PHE A 68 11.046 1.784 -0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.248 3.227 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.027 2.464 1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.451 1.534 2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.377 0.383 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.941 -0.630 3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.863 -1.779 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.148 -2.292 3.935 1.00 0.00 H new ATOM 1020 N GLN A 69 10.622 4.993 -0.367 1.00 0.00 N ATOM 1021 CA GLN A 69 10.030 6.067 -1.157 1.00 0.00 C ATOM 1022 C GLN A 69 10.320 5.874 -2.641 1.00 0.00 C ATOM 1023 O GLN A 69 9.441 6.053 -3.484 1.00 0.00 O ATOM 1024 CB GLN A 69 10.563 7.423 -0.693 1.00 0.00 C ATOM 1025 CG GLN A 69 9.731 8.059 0.410 1.00 0.00 C ATOM 1026 CD GLN A 69 10.079 9.517 0.637 1.00 0.00 C ATOM 1027 OE1 GLN A 69 11.237 9.917 0.514 1.00 0.00 O ATOM 1028 NE2 GLN A 69 9.076 10.320 0.970 1.00 0.00 N ATOM 0 H GLN A 69 11.349 5.297 0.280 1.00 0.00 H new ATOM 0 HA GLN A 69 8.950 6.040 -1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.587 7.300 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.600 8.101 -1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.674 7.977 0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.880 7.505 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.132 9.946 1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.250 11.311 1.135 1.00 0.00 H new ATOM 1037 N ASP A 70 11.559 5.508 -2.954 1.00 0.00 N ATOM 1038 CA ASP A 70 11.965 5.290 -4.338 1.00 0.00 C ATOM 1039 C ASP A 70 11.280 4.057 -4.917 1.00 0.00 C ATOM 1040 O ASP A 70 10.652 4.122 -5.973 1.00 0.00 O ATOM 1041 CB ASP A 70 13.484 5.134 -4.427 1.00 0.00 C ATOM 1042 CG ASP A 70 13.990 5.202 -5.854 1.00 0.00 C ATOM 1043 OD1 ASP A 70 13.280 5.771 -6.710 1.00 0.00 O ATOM 1044 OD2 ASP A 70 15.097 4.686 -6.116 1.00 0.00 O ATOM 0 H ASP A 70 12.299 5.356 -2.268 1.00 0.00 H new ATOM 0 HA ASP A 70 11.662 6.159 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 70 13.962 5.916 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.775 4.180 -3.986 1.00 0.00 H new ATOM 1049 N ALA A 71 11.407 2.933 -4.220 1.00 0.00 N ATOM 1050 CA ALA A 71 10.799 1.685 -4.665 1.00 0.00 C ATOM 1051 C ALA A 71 9.374 1.913 -5.157 1.00 0.00 C ATOM 1052 O ALA A 71 8.999 1.455 -6.238 1.00 0.00 O ATOM 1053 CB ALA A 71 10.813 0.660 -3.539 1.00 0.00 C ATOM 0 H ALA A 71 11.926 2.861 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 71 11.386 1.301 -5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.356 -0.267 -3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.842 0.466 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.251 1.046 -2.689 1.00 0.00 H new ATOM 1059 N LEU A 72 8.584 2.622 -4.359 1.00 0.00 N ATOM 1060 CA LEU A 72 7.199 2.911 -4.714 1.00 0.00 C ATOM 1061 C LEU A 72 7.128 3.811 -5.943 1.00 0.00 C ATOM 1062 O LEU A 72 6.253 3.648 -6.795 1.00 0.00 O ATOM 1063 CB LEU A 72 6.478 3.575 -3.539 1.00 0.00 C ATOM 1064 CG LEU A 72 6.005 2.639 -2.427 1.00 0.00 C ATOM 1065 CD1 LEU A 72 5.499 3.439 -1.236 1.00 0.00 C ATOM 1066 CD2 LEU A 72 4.922 1.703 -2.942 1.00 0.00 C ATOM 0 H LEU A 72 8.879 3.007 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 72 6.706 1.968 -4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.145 4.318 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.613 4.113 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 72 6.852 2.036 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.166 2.756 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.303 4.067 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.665 4.068 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.597 1.044 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.073 2.288 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.318 1.105 -3.763 1.00 0.00 H new ATOM 1078 N TYR A 73 8.054 4.759 -6.030 1.00 0.00 N ATOM 1079 CA TYR A 73 8.096 5.685 -7.155 1.00 0.00 C ATOM 1080 C TYR A 73 8.306 4.938 -8.469 1.00 0.00 C ATOM 1081 O TYR A 73 7.857 5.379 -9.527 1.00 0.00 O ATOM 1082 CB TYR A 73 9.212 6.712 -6.956 1.00 0.00 C ATOM 1083 CG TYR A 73 9.643 7.394 -8.234 1.00 0.00 C ATOM 1084 CD1 TYR A 73 8.856 8.377 -8.820 1.00 0.00 C ATOM 1085 CD2 TYR A 73 10.839 7.056 -8.856 1.00 0.00 C ATOM 1086 CE1 TYR A 73 9.246 9.002 -9.989 1.00 0.00 C ATOM 1087 CE2 TYR A 73 11.238 7.677 -10.024 1.00 0.00 C ATOM 1088 CZ TYR A 73 10.437 8.649 -10.587 1.00 0.00 C ATOM 1089 OH TYR A 73 10.830 9.270 -11.751 1.00 0.00 O ATOM 0 H TYR A 73 8.786 4.906 -5.335 1.00 0.00 H new ATOM 0 HA TYR A 73 7.138 6.203 -7.202 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.876 7.468 -6.246 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.074 6.217 -6.510 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.923 8.658 -8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 73 11.468 6.294 -8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.621 9.763 -10.432 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.171 7.403 -10.493 1.00 0.00 H new ATOM 0 HH TYR A 73 11.693 8.906 -12.041 1.00 0.00 H new ATOM 1099 N LYS A 74 8.992 3.803 -8.392 1.00 0.00 N ATOM 1100 CA LYS A 74 9.262 2.990 -9.573 1.00 0.00 C ATOM 1101 C LYS A 74 8.048 2.143 -9.939 1.00 0.00 C ATOM 1102 O LYS A 74 7.707 2.005 -11.114 1.00 0.00 O ATOM 1103 CB LYS A 74 10.473 2.087 -9.330 1.00 0.00 C ATOM 1104 CG LYS A 74 11.774 2.849 -9.148 1.00 0.00 C ATOM 1105 CD LYS A 74 12.751 2.084 -8.272 1.00 0.00 C ATOM 1106 CE LYS A 74 13.973 2.924 -7.935 1.00 0.00 C ATOM 1107 NZ LYS A 74 15.054 2.762 -8.946 1.00 0.00 N ATOM 0 H LYS A 74 9.372 3.425 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 74 9.478 3.661 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.291 1.480 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.578 1.401 -10.170 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.227 3.036 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.568 3.821 -8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.253 1.778 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.064 1.174 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.686 3.974 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.349 2.640 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.869 3.351 -8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.346 1.765 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.703 3.057 -9.879 1.00 0.00 H new ATOM 1121 N MET A 75 7.398 1.579 -8.926 1.00 0.00 N ATOM 1122 CA MET A 75 6.219 0.748 -9.143 1.00 0.00 C ATOM 1123 C MET A 75 5.002 1.606 -9.472 1.00 0.00 C ATOM 1124 O MET A 75 4.049 1.136 -10.095 1.00 0.00 O ATOM 1125 CB MET A 75 5.936 -0.106 -7.905 1.00 0.00 C ATOM 1126 CG MET A 75 7.140 -0.903 -7.429 1.00 0.00 C ATOM 1127 SD MET A 75 6.674 -2.434 -6.598 1.00 0.00 S ATOM 1128 CE MET A 75 5.476 -1.826 -5.414 1.00 0.00 C ATOM 0 H MET A 75 7.667 1.682 -7.948 1.00 0.00 H new ATOM 0 HA MET A 75 6.419 0.092 -9.990 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.597 0.542 -7.097 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.120 -0.794 -8.127 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.777 -1.136 -8.282 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.731 -0.290 -6.748 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.294 -2.588 -4.657 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.861 -0.925 -4.937 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.543 -1.594 -5.927 1.00 0.00 H new ATOM 1138 N THR A 76 5.039 2.866 -9.050 1.00 0.00 N ATOM 1139 CA THR A 76 3.939 3.788 -9.298 1.00 0.00 C ATOM 1140 C THR A 76 4.276 4.754 -10.429 1.00 0.00 C ATOM 1141 O THR A 76 3.408 5.130 -11.216 1.00 0.00 O ATOM 1142 CB THR A 76 3.587 4.597 -8.036 1.00 0.00 C ATOM 1143 OG1 THR A 76 4.548 5.640 -7.838 1.00 0.00 O ATOM 1144 CG2 THR A 76 3.549 3.697 -6.810 1.00 0.00 C ATOM 0 H THR A 76 5.820 3.271 -8.534 1.00 0.00 H new ATOM 0 HA THR A 76 3.079 3.183 -9.584 1.00 0.00 H new ATOM 0 HB THR A 76 2.599 5.036 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.323 5.284 -7.356 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.298 4.290 -5.931 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.796 2.922 -6.951 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.525 3.233 -6.669 1.00 0.00 H new ATOM 1152 N GLY A 77 5.542 5.151 -10.504 1.00 0.00 N ATOM 1153 CA GLY A 77 5.971 6.070 -11.543 1.00 0.00 C ATOM 1154 C GLY A 77 6.106 7.493 -11.039 1.00 0.00 C ATOM 1155 O GLY A 77 6.915 8.265 -11.551 1.00 0.00 O ATOM 0 H GLY A 77 6.279 4.853 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.928 5.738 -11.945 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.255 6.045 -12.364 1.00 0.00 H new ATOM 1159 N GLU A 78 5.309 7.841 -10.033 1.00 0.00 N ATOM 1160 CA GLU A 78 5.342 9.182 -9.462 1.00 0.00 C ATOM 1161 C GLU A 78 5.605 9.128 -7.960 1.00 0.00 C ATOM 1162 O GLU A 78 5.596 8.055 -7.356 1.00 0.00 O ATOM 1163 CB GLU A 78 4.023 9.908 -9.734 1.00 0.00 C ATOM 1164 CG GLU A 78 2.816 9.236 -9.101 1.00 0.00 C ATOM 1165 CD GLU A 78 2.213 8.164 -9.987 1.00 0.00 C ATOM 1166 OE1 GLU A 78 2.646 6.997 -9.886 1.00 0.00 O ATOM 1167 OE2 GLU A 78 1.308 8.493 -10.782 1.00 0.00 O ATOM 0 H GLU A 78 4.633 7.213 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 78 6.156 9.731 -9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.097 10.929 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.869 9.972 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.109 8.793 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.059 9.989 -8.882 1.00 0.00 H new ATOM 1174 N ARG A 79 5.840 10.292 -7.364 1.00 0.00 N ATOM 1175 CA ARG A 79 6.107 10.378 -5.933 1.00 0.00 C ATOM 1176 C ARG A 79 4.969 11.091 -5.209 1.00 0.00 C ATOM 1177 O ARG A 79 5.201 11.972 -4.380 1.00 0.00 O ATOM 1178 CB ARG A 79 7.425 11.113 -5.683 1.00 0.00 C ATOM 1179 CG ARG A 79 8.500 10.805 -6.713 1.00 0.00 C ATOM 1180 CD ARG A 79 9.414 11.999 -6.938 1.00 0.00 C ATOM 1181 NE ARG A 79 10.503 12.045 -5.966 1.00 0.00 N ATOM 1182 CZ ARG A 79 11.660 12.660 -6.188 1.00 0.00 C ATOM 1183 NH1 ARG A 79 11.877 13.276 -7.341 1.00 0.00 N ATOM 1184 NH2 ARG A 79 12.603 12.658 -5.254 1.00 0.00 N ATOM 0 H ARG A 79 5.851 11.189 -7.850 1.00 0.00 H new ATOM 0 HA ARG A 79 6.184 9.364 -5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.237 12.187 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.796 10.849 -4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.090 9.951 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.032 10.521 -7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.829 11.954 -7.945 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.832 12.918 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 79 10.368 11.580 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.155 13.279 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.766 13.747 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.440 12.184 -4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.491 13.130 -5.425 1.00 0.00 H new ATOM 1198 N THR A 80 3.738 10.705 -5.528 1.00 0.00 N ATOM 1199 CA THR A 80 2.564 11.308 -4.909 1.00 0.00 C ATOM 1200 C THR A 80 2.173 10.569 -3.634 1.00 0.00 C ATOM 1201 O THR A 80 2.443 9.377 -3.488 1.00 0.00 O ATOM 1202 CB THR A 80 1.362 11.314 -5.873 1.00 0.00 C ATOM 1203 OG1 THR A 80 0.980 9.971 -6.189 1.00 0.00 O ATOM 1204 CG2 THR A 80 1.699 12.065 -7.153 1.00 0.00 C ATOM 0 H THR A 80 3.528 9.978 -6.211 1.00 0.00 H new ATOM 0 HA THR A 80 2.830 12.336 -4.663 1.00 0.00 H new ATOM 0 HB THR A 80 0.532 11.821 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.214 9.984 -6.801 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.836 12.056 -7.818 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.961 13.095 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.542 11.582 -7.647 1.00 0.00 H new ATOM 1212 N VAL A 81 1.536 11.285 -2.713 1.00 0.00 N ATOM 1213 CA VAL A 81 1.107 10.697 -1.450 1.00 0.00 C ATOM 1214 C VAL A 81 -0.091 11.444 -0.874 1.00 0.00 C ATOM 1215 O VAL A 81 -0.298 12.629 -1.135 1.00 0.00 O ATOM 1216 CB VAL A 81 2.247 10.700 -0.413 1.00 0.00 C ATOM 1217 CG1 VAL A 81 3.367 9.767 -0.847 1.00 0.00 C ATOM 1218 CG2 VAL A 81 2.770 12.113 -0.202 1.00 0.00 C ATOM 0 H VAL A 81 1.306 12.273 -2.818 1.00 0.00 H new ATOM 0 HA VAL A 81 0.821 9.667 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 81 1.853 10.337 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.163 9.783 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.979 8.753 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.763 10.096 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.575 12.097 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.149 12.506 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.962 12.750 0.158 1.00 0.00 H new ATOM 1228 N PRO A 82 -0.899 10.736 -0.071 1.00 0.00 N ATOM 1229 CA PRO A 82 -0.662 9.325 0.246 1.00 0.00 C ATOM 1230 C PRO A 82 -0.895 8.414 -0.954 1.00 0.00 C ATOM 1231 O PRO A 82 -1.217 8.881 -2.046 1.00 0.00 O ATOM 1232 CB PRO A 82 -1.685 9.032 1.347 1.00 0.00 C ATOM 1233 CG PRO A 82 -2.775 10.023 1.124 1.00 0.00 C ATOM 1234 CD PRO A 82 -2.107 11.259 0.588 1.00 0.00 C ATOM 0 HA PRO A 82 0.370 9.142 0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.059 8.010 1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.244 9.145 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.512 9.640 0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.304 10.237 2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.749 11.790 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.858 11.959 1.385 1.00 0.00 H new ATOM 1242 N ARG A 83 -0.730 7.112 -0.743 1.00 0.00 N ATOM 1243 CA ARG A 83 -0.922 6.135 -1.809 1.00 0.00 C ATOM 1244 C ARG A 83 -1.639 4.894 -1.286 1.00 0.00 C ATOM 1245 O ARG A 83 -1.185 4.258 -0.334 1.00 0.00 O ATOM 1246 CB ARG A 83 0.425 5.742 -2.417 1.00 0.00 C ATOM 1247 CG ARG A 83 1.475 6.837 -2.331 1.00 0.00 C ATOM 1248 CD ARG A 83 2.659 6.546 -3.241 1.00 0.00 C ATOM 1249 NE ARG A 83 2.435 7.028 -4.601 1.00 0.00 N ATOM 1250 CZ ARG A 83 1.899 6.288 -5.565 1.00 0.00 C ATOM 1251 NH1 ARG A 83 1.533 5.038 -5.319 1.00 0.00 N ATOM 1252 NH2 ARG A 83 1.727 6.798 -6.778 1.00 0.00 N ATOM 0 H ARG A 83 -0.464 6.709 0.156 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.541 6.592 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.798 4.852 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.277 5.473 -3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.029 7.793 -2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.820 6.931 -1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.554 7.016 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.844 5.472 -3.263 1.00 0.00 H new ATOM 0 HE ARG A 83 2.705 7.986 -4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.663 4.642 -4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.122 4.472 -6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.007 7.760 -6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.315 6.228 -7.517 1.00 0.00 H new ATOM 1266 N ILE A 84 -2.759 4.555 -1.914 1.00 0.00 N ATOM 1267 CA ILE A 84 -3.537 3.390 -1.512 1.00 0.00 C ATOM 1268 C ILE A 84 -3.218 2.186 -2.392 1.00 0.00 C ATOM 1269 O ILE A 84 -3.002 2.323 -3.596 1.00 0.00 O ATOM 1270 CB ILE A 84 -5.050 3.673 -1.577 1.00 0.00 C ATOM 1271 CG1 ILE A 84 -5.411 4.845 -0.662 1.00 0.00 C ATOM 1272 CG2 ILE A 84 -5.838 2.430 -1.192 1.00 0.00 C ATOM 1273 CD1 ILE A 84 -5.237 6.198 -1.316 1.00 0.00 C ATOM 0 H ILE A 84 -3.148 5.070 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.262 3.167 -0.481 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.311 3.942 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.446 4.737 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.791 4.801 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.905 2.646 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.598 1.620 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.576 2.133 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.511 6.982 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.197 6.327 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.878 6.262 -2.195 1.00 0.00 H new ATOM 1285 N PHE A 85 -3.193 1.005 -1.783 1.00 0.00 N ATOM 1286 CA PHE A 85 -2.901 -0.225 -2.511 1.00 0.00 C ATOM 1287 C PHE A 85 -3.856 -1.341 -2.097 1.00 0.00 C ATOM 1288 O PHE A 85 -3.881 -1.754 -0.937 1.00 0.00 O ATOM 1289 CB PHE A 85 -1.455 -0.658 -2.264 1.00 0.00 C ATOM 1290 CG PHE A 85 -0.455 0.086 -3.104 1.00 0.00 C ATOM 1291 CD1 PHE A 85 -0.247 1.443 -2.918 1.00 0.00 C ATOM 1292 CD2 PHE A 85 0.277 -0.573 -4.079 1.00 0.00 C ATOM 1293 CE1 PHE A 85 0.671 2.129 -3.689 1.00 0.00 C ATOM 1294 CE2 PHE A 85 1.197 0.108 -4.853 1.00 0.00 C ATOM 1295 CZ PHE A 85 1.395 1.461 -4.657 1.00 0.00 C ATOM 0 H PHE A 85 -3.371 0.873 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.037 -0.030 -3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.215 -0.510 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.364 -1.725 -2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.809 1.970 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.127 -1.631 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.823 3.187 -3.535 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.761 -0.417 -5.610 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.115 1.995 -5.260 1.00 0.00 H new ATOM 1305 N VAL A 86 -4.641 -1.826 -3.054 1.00 0.00 N ATOM 1306 CA VAL A 86 -5.597 -2.894 -2.791 1.00 0.00 C ATOM 1307 C VAL A 86 -5.172 -4.192 -3.469 1.00 0.00 C ATOM 1308 O VAL A 86 -4.891 -4.215 -4.667 1.00 0.00 O ATOM 1309 CB VAL A 86 -7.010 -2.515 -3.273 1.00 0.00 C ATOM 1310 CG1 VAL A 86 -7.948 -3.707 -3.168 1.00 0.00 C ATOM 1311 CG2 VAL A 86 -7.544 -1.333 -2.478 1.00 0.00 C ATOM 0 H VAL A 86 -4.633 -1.496 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.617 -3.041 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.951 -2.222 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.941 -3.420 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.571 -4.522 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.005 -4.035 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.543 -1.078 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.589 -1.596 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.883 -0.477 -2.611 1.00 0.00 H new ATOM 1321 N ASN A 87 -5.126 -5.271 -2.694 1.00 0.00 N ATOM 1322 CA ASN A 87 -4.735 -6.573 -3.220 1.00 0.00 C ATOM 1323 C ASN A 87 -3.439 -6.471 -4.019 1.00 0.00 C ATOM 1324 O ASN A 87 -3.299 -7.083 -5.077 1.00 0.00 O ATOM 1325 CB ASN A 87 -5.847 -7.146 -4.102 1.00 0.00 C ATOM 1326 CG ASN A 87 -5.826 -8.661 -4.147 1.00 0.00 C ATOM 1327 OD1 ASN A 87 -4.800 -9.271 -4.448 1.00 0.00 O ATOM 1328 ND2 ASN A 87 -6.964 -9.277 -3.847 1.00 0.00 N ATOM 0 H ASN A 87 -5.355 -5.269 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.569 -7.242 -2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.814 -6.810 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.743 -6.754 -5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.011 -10.296 -3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.790 -8.731 -3.603 1.00 0.00 H new ATOM 1335 N GLY A 88 -2.493 -5.691 -3.504 1.00 0.00 N ATOM 1336 CA GLY A 88 -1.221 -5.522 -4.182 1.00 0.00 C ATOM 1337 C GLY A 88 -1.373 -4.889 -5.550 1.00 0.00 C ATOM 1338 O GLY A 88 -0.722 -5.302 -6.511 1.00 0.00 O ATOM 0 H GLY A 88 -2.585 -5.173 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.566 -4.903 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.736 -6.493 -4.286 1.00 0.00 H new ATOM 1342 N THR A 89 -2.236 -3.882 -5.643 1.00 0.00 N ATOM 1343 CA THR A 89 -2.474 -3.192 -6.904 1.00 0.00 C ATOM 1344 C THR A 89 -2.879 -1.742 -6.670 1.00 0.00 C ATOM 1345 O THR A 89 -3.581 -1.430 -5.707 1.00 0.00 O ATOM 1346 CB THR A 89 -3.570 -3.893 -7.730 1.00 0.00 C ATOM 1347 OG1 THR A 89 -3.091 -5.153 -8.211 1.00 0.00 O ATOM 1348 CG2 THR A 89 -4.001 -3.026 -8.903 1.00 0.00 C ATOM 0 H THR A 89 -2.782 -3.526 -4.859 1.00 0.00 H new ATOM 0 HA THR A 89 -1.537 -3.219 -7.460 1.00 0.00 H new ATOM 0 HB THR A 89 -4.432 -4.056 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.195 -5.321 -7.851 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.775 -3.542 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.393 -2.080 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.144 -2.835 -9.548 1.00 0.00 H new ATOM 1356 N PHE A 90 -2.434 -0.857 -7.556 1.00 0.00 N ATOM 1357 CA PHE A 90 -2.750 0.562 -7.445 1.00 0.00 C ATOM 1358 C PHE A 90 -4.107 0.867 -8.071 1.00 0.00 C ATOM 1359 O PHE A 90 -4.357 0.534 -9.230 1.00 0.00 O ATOM 1360 CB PHE A 90 -1.664 1.403 -8.119 1.00 0.00 C ATOM 1361 CG PHE A 90 -1.815 2.878 -7.883 1.00 0.00 C ATOM 1362 CD1 PHE A 90 -2.675 3.634 -8.663 1.00 0.00 C ATOM 1363 CD2 PHE A 90 -1.097 3.510 -6.880 1.00 0.00 C ATOM 1364 CE1 PHE A 90 -2.815 4.992 -8.448 1.00 0.00 C ATOM 1365 CE2 PHE A 90 -1.234 4.868 -6.660 1.00 0.00 C ATOM 1366 CZ PHE A 90 -2.094 5.609 -7.445 1.00 0.00 C ATOM 0 H PHE A 90 -1.853 -1.098 -8.359 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.792 0.817 -6.386 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.688 1.083 -7.753 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.681 1.211 -9.192 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.243 3.157 -9.448 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.423 2.935 -6.263 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.488 5.570 -9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.669 5.348 -5.875 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.203 6.670 -7.275 1.00 0.00 H new ATOM 1376 N ILE A 91 -4.980 1.502 -7.296 1.00 0.00 N ATOM 1377 CA ILE A 91 -6.312 1.853 -7.775 1.00 0.00 C ATOM 1378 C ILE A 91 -6.521 3.364 -7.761 1.00 0.00 C ATOM 1379 O ILE A 91 -7.273 3.904 -8.571 1.00 0.00 O ATOM 1380 CB ILE A 91 -7.409 1.187 -6.924 1.00 0.00 C ATOM 1381 CG1 ILE A 91 -7.473 1.833 -5.538 1.00 0.00 C ATOM 1382 CG2 ILE A 91 -7.154 -0.308 -6.806 1.00 0.00 C ATOM 1383 CD1 ILE A 91 -6.300 1.479 -4.652 1.00 0.00 C ATOM 0 H ILE A 91 -4.789 1.784 -6.334 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.386 1.488 -8.799 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.370 1.334 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.518 2.916 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.396 1.526 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.938 -0.764 -6.202 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.154 -0.757 -7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.187 -0.476 -6.332 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.412 1.972 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.266 0.399 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.375 1.811 -5.123 1.00 0.00 H new ATOM 1395 N GLY A 92 -5.848 4.041 -6.836 1.00 0.00 N ATOM 1396 CA GLY A 92 -5.971 5.483 -6.735 1.00 0.00 C ATOM 1397 C GLY A 92 -5.366 6.029 -5.457 1.00 0.00 C ATOM 1398 O GLY A 92 -5.040 5.272 -4.543 1.00 0.00 O ATOM 0 H GLY A 92 -5.219 3.616 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.482 5.947 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.025 5.759 -6.781 1.00 0.00 H new ATOM 1402 N GLY A 93 -5.215 7.348 -5.392 1.00 0.00 N ATOM 1403 CA GLY A 93 -4.644 7.972 -4.213 1.00 0.00 C ATOM 1404 C GLY A 93 -5.703 8.477 -3.253 1.00 0.00 C ATOM 1405 O GLY A 93 -6.859 8.060 -3.318 1.00 0.00 O ATOM 0 H GLY A 93 -5.478 7.996 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.005 7.254 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.008 8.803 -4.518 1.00 0.00 H new ATOM 1409 N ALA A 94 -5.308 9.377 -2.358 1.00 0.00 N ATOM 1410 CA ALA A 94 -6.232 9.939 -1.381 1.00 0.00 C ATOM 1411 C ALA A 94 -7.510 10.429 -2.053 1.00 0.00 C ATOM 1412 O ALA A 94 -8.616 10.103 -1.620 1.00 0.00 O ATOM 1413 CB ALA A 94 -5.566 11.075 -0.618 1.00 0.00 C ATOM 0 H ALA A 94 -4.354 9.732 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.501 9.152 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.267 11.486 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.685 10.697 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.268 11.857 -1.317 1.00 0.00 H new ATOM 1419 N THR A 95 -7.352 11.215 -3.114 1.00 0.00 N ATOM 1420 CA THR A 95 -8.494 11.751 -3.844 1.00 0.00 C ATOM 1421 C THR A 95 -9.274 10.640 -4.538 1.00 0.00 C ATOM 1422 O THR A 95 -10.405 10.334 -4.161 1.00 0.00 O ATOM 1423 CB THR A 95 -8.052 12.786 -4.896 1.00 0.00 C ATOM 1424 OG1 THR A 95 -6.854 13.442 -4.465 1.00 0.00 O ATOM 1425 CG2 THR A 95 -9.144 13.818 -5.132 1.00 0.00 C ATOM 0 H THR A 95 -6.444 11.494 -3.486 1.00 0.00 H new ATOM 0 HA THR A 95 -9.137 12.239 -3.111 1.00 0.00 H new ATOM 0 HB THR A 95 -7.862 12.261 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.579 14.097 -5.140 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.809 14.538 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.045 13.319 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.361 14.338 -4.199 1.00 0.00 H new ATOM 1433 N ASP A 96 -8.663 10.039 -5.553 1.00 0.00 N ATOM 1434 CA ASP A 96 -9.300 8.960 -6.299 1.00 0.00 C ATOM 1435 C ASP A 96 -9.937 7.948 -5.352 1.00 0.00 C ATOM 1436 O ASP A 96 -11.141 7.695 -5.413 1.00 0.00 O ATOM 1437 CB ASP A 96 -8.279 8.263 -7.200 1.00 0.00 C ATOM 1438 CG ASP A 96 -7.724 9.185 -8.267 1.00 0.00 C ATOM 1439 OD1 ASP A 96 -8.346 9.287 -9.345 1.00 0.00 O ATOM 1440 OD2 ASP A 96 -6.667 9.804 -8.024 1.00 0.00 O ATOM 0 H ASP A 96 -7.727 10.281 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.084 9.393 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.459 7.884 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.747 7.401 -7.676 1.00 0.00 H new ATOM 1445 N THR A 97 -9.121 7.369 -4.476 1.00 0.00 N ATOM 1446 CA THR A 97 -9.603 6.382 -3.518 1.00 0.00 C ATOM 1447 C THR A 97 -10.883 6.856 -2.838 1.00 0.00 C ATOM 1448 O THR A 97 -11.819 6.080 -2.644 1.00 0.00 O ATOM 1449 CB THR A 97 -8.545 6.081 -2.441 1.00 0.00 C ATOM 1450 OG1 THR A 97 -7.366 5.543 -3.050 1.00 0.00 O ATOM 1451 CG2 THR A 97 -9.084 5.098 -1.412 1.00 0.00 C ATOM 0 H THR A 97 -8.123 7.567 -4.411 1.00 0.00 H new ATOM 0 HA THR A 97 -9.808 5.471 -4.079 1.00 0.00 H new ATOM 0 HB THR A 97 -8.299 7.014 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.902 6.250 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.319 4.901 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.964 5.522 -0.930 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.356 4.166 -1.907 1.00 0.00 H new ATOM 1459 N HIS A 98 -10.918 8.136 -2.480 1.00 0.00 N ATOM 1460 CA HIS A 98 -12.085 8.714 -1.822 1.00 0.00 C ATOM 1461 C HIS A 98 -13.309 8.646 -2.730 1.00 0.00 C ATOM 1462 O HIS A 98 -14.416 8.356 -2.275 1.00 0.00 O ATOM 1463 CB HIS A 98 -11.808 10.165 -1.428 1.00 0.00 C ATOM 1464 CG HIS A 98 -12.988 10.854 -0.815 1.00 0.00 C ATOM 1465 ND1 HIS A 98 -14.075 10.176 -0.306 1.00 0.00 N ATOM 1466 CD2 HIS A 98 -13.246 12.170 -0.629 1.00 0.00 C ATOM 1467 CE1 HIS A 98 -14.952 11.045 0.165 1.00 0.00 C ATOM 1468 NE2 HIS A 98 -14.472 12.262 -0.018 1.00 0.00 N ATOM 0 H HIS A 98 -10.152 8.792 -2.634 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.289 8.134 -0.922 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -10.977 10.189 -0.723 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -11.493 10.719 -2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -12.606 12.994 -0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.900 10.802 0.622 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -14.937 13.129 0.251 1.00 0.00 H new ATOM 1476 N ARG A 99 -13.103 8.915 -4.015 1.00 0.00 N ATOM 1477 CA ARG A 99 -14.190 8.886 -4.986 1.00 0.00 C ATOM 1478 C ARG A 99 -14.637 7.453 -5.259 1.00 0.00 C ATOM 1479 O ARG A 99 -15.833 7.170 -5.349 1.00 0.00 O ATOM 1480 CB ARG A 99 -13.754 9.553 -6.292 1.00 0.00 C ATOM 1481 CG ARG A 99 -14.868 9.666 -7.319 1.00 0.00 C ATOM 1482 CD ARG A 99 -14.322 9.645 -8.738 1.00 0.00 C ATOM 1483 NE ARG A 99 -15.236 10.276 -9.686 1.00 0.00 N ATOM 1484 CZ ARG A 99 -15.363 11.591 -9.821 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -14.637 12.410 -9.073 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -16.216 12.089 -10.707 1.00 0.00 N ATOM 0 H ARG A 99 -12.193 9.156 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 99 -15.032 9.438 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.372 10.550 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.930 8.984 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.571 8.844 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.423 10.590 -7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.361 10.159 -8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.140 8.614 -9.041 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.809 9.673 -10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.979 12.030 -8.392 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.736 13.420 -9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.775 11.462 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.313 13.099 -10.810 1.00 0.00 H new ATOM 1500 N LEU A 100 -13.670 6.552 -5.390 1.00 0.00 N ATOM 1501 CA LEU A 100 -13.963 5.147 -5.654 1.00 0.00 C ATOM 1502 C LEU A 100 -15.010 4.618 -4.679 1.00 0.00 C ATOM 1503 O LEU A 100 -16.015 4.033 -5.087 1.00 0.00 O ATOM 1504 CB LEU A 100 -12.686 4.311 -5.552 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.608 4.603 -6.597 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -10.280 3.993 -6.178 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -12.032 4.078 -7.961 1.00 0.00 C ATOM 0 H LEU A 100 -12.676 6.769 -5.318 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.361 5.068 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.255 4.462 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.958 3.258 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.481 5.683 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.525 4.211 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.970 4.417 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.391 2.913 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.253 4.294 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.187 3.001 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.960 4.562 -8.265 1.00 0.00 H new ATOM 1519 N HIS A 101 -14.770 4.827 -3.389 1.00 0.00 N ATOM 1520 CA HIS A 101 -15.694 4.373 -2.355 1.00 0.00 C ATOM 1521 C HIS A 101 -17.120 4.813 -2.670 1.00 0.00 C ATOM 1522 O HIS A 101 -18.064 4.032 -2.545 1.00 0.00 O ATOM 1523 CB HIS A 101 -15.270 4.915 -0.989 1.00 0.00 C ATOM 1524 CG HIS A 101 -16.183 4.507 0.126 1.00 0.00 C ATOM 1525 ND1 HIS A 101 -16.568 3.201 0.344 1.00 0.00 N ATOM 1526 CD2 HIS A 101 -16.787 5.241 1.090 1.00 0.00 C ATOM 1527 CE1 HIS A 101 -17.370 3.150 1.392 1.00 0.00 C ATOM 1528 NE2 HIS A 101 -17.518 4.375 1.864 1.00 0.00 N ATOM 0 H HIS A 101 -13.943 5.308 -3.034 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.666 3.284 -2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -14.261 4.568 -0.767 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -15.230 6.003 -1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -16.708 6.310 1.225 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -17.827 2.258 1.795 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -18.084 4.635 2.672 1.00 0.00 H new ATOM 1536 N LYS A 102 -17.271 6.068 -3.079 1.00 0.00 N ATOM 1537 CA LYS A 102 -18.581 6.613 -3.413 1.00 0.00 C ATOM 1538 C LYS A 102 -19.157 5.927 -4.647 1.00 0.00 C ATOM 1539 O LYS A 102 -20.280 5.424 -4.621 1.00 0.00 O ATOM 1540 CB LYS A 102 -18.483 8.121 -3.654 1.00 0.00 C ATOM 1541 CG LYS A 102 -17.917 8.890 -2.472 1.00 0.00 C ATOM 1542 CD LYS A 102 -18.411 10.327 -2.455 1.00 0.00 C ATOM 1543 CE LYS A 102 -19.858 10.414 -1.996 1.00 0.00 C ATOM 1544 NZ LYS A 102 -20.263 11.817 -1.702 1.00 0.00 N ATOM 0 H LYS A 102 -16.501 6.728 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.249 6.429 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.856 8.301 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.475 8.508 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.203 8.395 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.828 8.879 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.782 10.921 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -18.318 10.756 -3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.509 10.002 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.994 9.802 -1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.256 11.834 -1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -19.658 12.202 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.158 12.396 -2.560 1.00 0.00 H new ATOM 1558 N GLU A 103 -18.380 5.909 -5.726 1.00 0.00 N ATOM 1559 CA GLU A 103 -18.815 5.283 -6.969 1.00 0.00 C ATOM 1560 C GLU A 103 -19.138 3.808 -6.751 1.00 0.00 C ATOM 1561 O GLU A 103 -19.979 3.236 -7.445 1.00 0.00 O ATOM 1562 CB GLU A 103 -17.734 5.426 -8.043 1.00 0.00 C ATOM 1563 CG GLU A 103 -17.772 6.760 -8.769 1.00 0.00 C ATOM 1564 CD GLU A 103 -17.044 6.721 -10.099 1.00 0.00 C ATOM 1565 OE1 GLU A 103 -17.670 6.331 -11.107 1.00 0.00 O ATOM 1566 OE2 GLU A 103 -15.849 7.080 -10.132 1.00 0.00 O ATOM 0 H GLU A 103 -17.447 6.320 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.720 5.790 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -16.755 5.301 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.848 4.622 -8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.810 7.050 -8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.325 7.527 -8.136 1.00 0.00 H new ATOM 1573 N GLY A 104 -18.463 3.196 -5.783 1.00 0.00 N ATOM 1574 CA GLY A 104 -18.692 1.793 -5.491 1.00 0.00 C ATOM 1575 C GLY A 104 -17.706 0.885 -6.200 1.00 0.00 C ATOM 1576 O GLY A 104 -18.079 -0.174 -6.705 1.00 0.00 O ATOM 0 H GLY A 104 -17.761 3.647 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.620 1.632 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.706 1.524 -5.787 1.00 0.00 H new ATOM 1580 N LYS A 105 -16.445 1.301 -6.242 1.00 0.00 N ATOM 1581 CA LYS A 105 -15.402 0.520 -6.895 1.00 0.00 C ATOM 1582 C LYS A 105 -14.233 0.273 -5.947 1.00 0.00 C ATOM 1583 O LYS A 105 -13.161 -0.164 -6.368 1.00 0.00 O ATOM 1584 CB LYS A 105 -14.910 1.238 -8.154 1.00 0.00 C ATOM 1585 CG LYS A 105 -16.026 1.628 -9.107 1.00 0.00 C ATOM 1586 CD LYS A 105 -15.587 2.726 -10.061 1.00 0.00 C ATOM 1587 CE LYS A 105 -16.733 3.184 -10.950 1.00 0.00 C ATOM 1588 NZ LYS A 105 -17.105 2.149 -11.953 1.00 0.00 N ATOM 0 H LYS A 105 -16.120 2.176 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 105 -15.827 -0.443 -7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.364 2.135 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.205 0.593 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.341 0.754 -9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.891 1.965 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.206 3.574 -9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.767 2.364 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.600 3.419 -10.332 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.449 4.102 -11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.855 2.519 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.272 1.906 -12.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.449 1.298 -11.463 1.00 0.00 H new ATOM 1602 N LEU A 106 -14.446 0.554 -4.667 1.00 0.00 N ATOM 1603 CA LEU A 106 -13.409 0.362 -3.658 1.00 0.00 C ATOM 1604 C LEU A 106 -13.745 -0.817 -2.751 1.00 0.00 C ATOM 1605 O LEU A 106 -12.949 -1.746 -2.601 1.00 0.00 O ATOM 1606 CB LEU A 106 -13.241 1.632 -2.823 1.00 0.00 C ATOM 1607 CG LEU A 106 -12.028 1.667 -1.892 1.00 0.00 C ATOM 1608 CD1 LEU A 106 -11.655 3.102 -1.555 1.00 0.00 C ATOM 1609 CD2 LEU A 106 -12.305 0.874 -0.624 1.00 0.00 C ATOM 0 H LEU A 106 -15.327 0.916 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.472 0.146 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.178 2.483 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.140 1.769 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.186 1.206 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.790 3.107 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.413 3.640 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.495 3.589 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.431 0.910 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.161 1.305 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.522 -0.162 -0.883 1.00 0.00 H new ATOM 1621 N LEU A 107 -14.929 -0.776 -2.149 1.00 0.00 N ATOM 1622 CA LEU A 107 -15.372 -1.842 -1.258 1.00 0.00 C ATOM 1623 C LEU A 107 -15.268 -3.202 -1.941 1.00 0.00 C ATOM 1624 O LEU A 107 -14.799 -4.181 -1.361 1.00 0.00 O ATOM 1625 CB LEU A 107 -16.813 -1.592 -0.809 1.00 0.00 C ATOM 1626 CG LEU A 107 -17.193 -2.147 0.564 1.00 0.00 C ATOM 1627 CD1 LEU A 107 -17.551 -3.622 0.464 1.00 0.00 C ATOM 1628 CD2 LEU A 107 -16.060 -1.938 1.558 1.00 0.00 C ATOM 0 H LEU A 107 -15.599 -0.016 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.721 -1.845 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.990 -0.517 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.484 -2.023 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.068 -1.605 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.819 -3.999 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.396 -3.746 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.695 -4.179 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.349 -2.339 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.166 -2.452 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.852 -0.872 1.653 1.00 0.00 H new ATOM 1640 N PRO A 108 -15.714 -3.264 -3.205 1.00 0.00 N ATOM 1641 CA PRO A 108 -15.679 -4.498 -3.996 1.00 0.00 C ATOM 1642 C PRO A 108 -14.323 -5.192 -3.928 1.00 0.00 C ATOM 1643 O PRO A 108 -14.230 -6.411 -4.080 1.00 0.00 O ATOM 1644 CB PRO A 108 -15.962 -4.014 -5.420 1.00 0.00 C ATOM 1645 CG PRO A 108 -16.738 -2.755 -5.245 1.00 0.00 C ATOM 1646 CD PRO A 108 -16.285 -2.136 -3.959 1.00 0.00 C ATOM 0 HA PRO A 108 -16.394 -5.236 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -15.037 -3.836 -5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -16.530 -4.754 -5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -16.566 -2.077 -6.081 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -17.808 -2.962 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -15.545 -1.355 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -17.115 -1.676 -3.423 1.00 0.00 H new ATOM 1654 N LEU A 109 -13.274 -4.410 -3.699 1.00 0.00 N ATOM 1655 CA LEU A 109 -11.922 -4.950 -3.611 1.00 0.00 C ATOM 1656 C LEU A 109 -11.537 -5.221 -2.160 1.00 0.00 C ATOM 1657 O LEU A 109 -10.730 -6.105 -1.875 1.00 0.00 O ATOM 1658 CB LEU A 109 -10.922 -3.981 -4.243 1.00 0.00 C ATOM 1659 CG LEU A 109 -11.305 -3.422 -5.614 1.00 0.00 C ATOM 1660 CD1 LEU A 109 -10.655 -2.065 -5.837 1.00 0.00 C ATOM 1661 CD2 LEU A 109 -10.908 -4.393 -6.716 1.00 0.00 C ATOM 0 H LEU A 109 -13.334 -3.400 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 109 -11.898 -5.893 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.775 -3.145 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.962 -4.489 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.387 -3.293 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.939 -1.682 -6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.989 -1.371 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.571 -2.168 -5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.188 -3.979 -7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.830 -4.554 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.421 -5.343 -6.566 1.00 0.00 H new ATOM 1673 N VAL A 110 -12.122 -4.453 -1.245 1.00 0.00 N ATOM 1674 CA VAL A 110 -11.843 -4.612 0.177 1.00 0.00 C ATOM 1675 C VAL A 110 -12.380 -5.940 0.698 1.00 0.00 C ATOM 1676 O VAL A 110 -11.796 -6.551 1.594 1.00 0.00 O ATOM 1677 CB VAL A 110 -12.458 -3.464 1.001 1.00 0.00 C ATOM 1678 CG1 VAL A 110 -12.142 -3.639 2.479 1.00 0.00 C ATOM 1679 CG2 VAL A 110 -11.957 -2.119 0.496 1.00 0.00 C ATOM 0 H VAL A 110 -12.792 -3.715 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.759 -4.592 0.291 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.541 -3.492 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.584 -2.819 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.554 -4.586 2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.062 -3.638 2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -12.401 -1.319 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.872 -2.078 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -12.239 -1.995 -0.550 1.00 0.00 H new ATOM 1689 N HIS A 111 -13.498 -6.384 0.130 1.00 0.00 N ATOM 1690 CA HIS A 111 -14.114 -7.642 0.536 1.00 0.00 C ATOM 1691 C HIS A 111 -13.485 -8.819 -0.204 1.00 0.00 C ATOM 1692 O HIS A 111 -14.113 -9.864 -0.372 1.00 0.00 O ATOM 1693 CB HIS A 111 -15.620 -7.605 0.274 1.00 0.00 C ATOM 1694 CG HIS A 111 -16.377 -6.760 1.252 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -17.749 -6.621 1.221 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -15.947 -6.010 2.292 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -18.129 -5.819 2.200 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -17.055 -5.435 2.866 1.00 0.00 N ATOM 0 H HIS A 111 -13.995 -5.891 -0.612 1.00 0.00 H new ATOM 0 HA HIS A 111 -13.942 -7.774 1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -15.796 -7.227 -0.733 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -16.011 -8.622 0.306 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -14.923 -5.886 2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -19.146 -5.527 2.419 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -17.049 -4.813 3.674 1.00 0.00 H new ATOM 1706 N GLN A 112 -12.245 -8.640 -0.646 1.00 0.00 N ATOM 1707 CA GLN A 112 -11.533 -9.686 -1.370 1.00 0.00 C ATOM 1708 C GLN A 112 -10.309 -10.152 -0.589 1.00 0.00 C ATOM 1709 O GLN A 112 -10.209 -11.319 -0.208 1.00 0.00 O ATOM 1710 CB GLN A 112 -11.111 -9.184 -2.751 1.00 0.00 C ATOM 1711 CG GLN A 112 -12.159 -9.413 -3.828 1.00 0.00 C ATOM 1712 CD GLN A 112 -12.129 -10.824 -4.381 1.00 0.00 C ATOM 1713 OE1 GLN A 112 -12.700 -11.745 -3.796 1.00 0.00 O ATOM 1714 NE2 GLN A 112 -11.461 -11.002 -5.515 1.00 0.00 N ATOM 0 H GLN A 112 -11.712 -7.780 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.208 -10.533 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.892 -8.118 -2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.187 -9.683 -3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.148 -9.209 -3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.000 -8.705 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -11.002 -10.211 -5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.407 -11.930 -5.935 1.00 0.00 H new ATOM 1723 N CYS A 113 -9.378 -9.233 -0.353 1.00 0.00 N ATOM 1724 CA CYS A 113 -8.159 -9.549 0.381 1.00 0.00 C ATOM 1725 C CYS A 113 -8.470 -10.394 1.614 1.00 0.00 C ATOM 1726 O CYS A 113 -8.074 -11.557 1.698 1.00 0.00 O ATOM 1727 CB CYS A 113 -7.443 -8.263 0.798 1.00 0.00 C ATOM 1728 SG CYS A 113 -8.558 -6.855 1.100 1.00 0.00 S ATOM 0 H CYS A 113 -9.445 -8.263 -0.660 1.00 0.00 H new ATOM 0 HA CYS A 113 -7.507 -10.124 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -6.868 -8.457 1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -6.731 -7.988 0.020 1.00 0.00 H new