USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=25 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 153:sc= -0.132 (180deg=-0.585) USER MOD Set 1.2: A 101 HIS : no HE2:sc= -1.59! C(o=-1.7!,f=-3!) USER MOD Set 2.1: A 98 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-5.3!) USER MOD Set 2.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 27 ASN : amide:sc= 0 X(o=-0.097,f=-0.097) USER MOD Set 3.2: A 55 LYS NZ :NH3+ -159:sc= -0.0973 (180deg=-0.468) USER MOD Single : A 18 ASN : amide:sc= -2.15! K(o=-2.2!,f=-0.72) USER MOD Single : A 19 GLN : amide:sc= -0.434 K(o=-0.43,f=-1.8) USER MOD Single : A 21 GLN : amide:sc= 0.308 X(o=0.31,f=-0.013) USER MOD Single : A 23 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= -0.585 (180deg=-0.647) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 63:sc= 0.4 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.114 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 -80:sc= -0.801 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -158:sc= -0.125 (180deg=-0.573) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= -1.14 (180deg=-1.35) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 51 ASN : amide:sc=-0.00276 K(o=-0.0028,f=-0.89) USER MOD Single : A 53 ASN : amide:sc= -0.181 K(o=-0.18,f=-2!) USER MOD Single : A 54 TYR OH : rot 165:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.731 K(o=-0.73,f=-0.15) USER MOD Single : A 67 GLN : amide:sc= -0.066 K(o=-0.066,f=-2.7!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) 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 -166:sc= 0 (180deg=-0.191) USER MOD Single : A 76 THR OG1 : rot 128:sc= 0.367 USER MOD Single : A 80 THR OG1 : rot -170:sc= -2.43 USER MOD Single : A 87 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.1) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -42:sc= 0.0928 USER MOD Single : A 97 THR OG1 : rot 68:sc= 1.01 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -3.99! K(o=-4!,f=-2.1) USER MOD Single : A 112 GLN : amide:sc=-0.000262 K(o=-0.00026,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 168 N ALA A 15 16.111 -6.529 -2.058 1.00 0.00 N ATOM 169 CA ALA A 15 15.774 -5.130 -2.289 1.00 0.00 C ATOM 170 C ALA A 15 14.598 -4.698 -1.420 1.00 0.00 C ATOM 171 O ALA A 15 13.815 -5.518 -0.941 1.00 0.00 O ATOM 172 CB ALA A 15 15.460 -4.899 -3.760 1.00 0.00 C ATOM 0 HA ALA A 15 16.637 -4.523 -2.014 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.210 -3.850 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.330 -5.160 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.615 -5.522 -4.054 1.00 0.00 H new ATOM 178 N PRO A 16 14.469 -3.379 -1.211 1.00 0.00 N ATOM 179 CA PRO A 16 13.391 -2.808 -0.399 1.00 0.00 C ATOM 180 C PRO A 16 12.029 -2.933 -1.073 1.00 0.00 C ATOM 181 O PRO A 16 11.036 -3.277 -0.431 1.00 0.00 O ATOM 182 CB PRO A 16 13.789 -1.336 -0.265 1.00 0.00 C ATOM 183 CG PRO A 16 14.635 -1.063 -1.460 1.00 0.00 C ATOM 184 CD PRO A 16 15.367 -2.344 -1.751 1.00 0.00 C ATOM 0 HA PRO A 16 13.283 -3.323 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.912 -0.689 -0.244 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.339 -1.157 0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.023 -0.761 -2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.334 -0.250 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.536 -2.476 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.344 -2.367 -1.268 1.00 0.00 H new ATOM 192 N VAL A 17 11.988 -2.652 -2.371 1.00 0.00 N ATOM 193 CA VAL A 17 10.748 -2.734 -3.133 1.00 0.00 C ATOM 194 C VAL A 17 10.054 -4.073 -2.910 1.00 0.00 C ATOM 195 O VAL A 17 8.827 -4.155 -2.908 1.00 0.00 O ATOM 196 CB VAL A 17 11.001 -2.544 -4.640 1.00 0.00 C ATOM 197 CG1 VAL A 17 11.727 -3.750 -5.216 1.00 0.00 C ATOM 198 CG2 VAL A 17 9.691 -2.300 -5.374 1.00 0.00 C ATOM 0 H VAL A 17 12.800 -2.365 -2.917 1.00 0.00 H new ATOM 0 HA VAL A 17 10.104 -1.930 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 17 11.636 -1.668 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.897 -3.597 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.684 -3.874 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.121 -4.644 -5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.889 -2.168 -6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.029 -3.154 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.215 -1.403 -4.979 1.00 0.00 H new ATOM 208 N ASN A 18 10.850 -5.121 -2.722 1.00 0.00 N ATOM 209 CA ASN A 18 10.312 -6.459 -2.498 1.00 0.00 C ATOM 210 C ASN A 18 9.514 -6.513 -1.199 1.00 0.00 C ATOM 211 O ASN A 18 8.405 -7.045 -1.163 1.00 0.00 O ATOM 212 CB ASN A 18 11.445 -7.486 -2.458 1.00 0.00 C ATOM 213 CG ASN A 18 12.025 -7.762 -3.832 1.00 0.00 C ATOM 214 OD1 ASN A 18 11.353 -8.316 -4.702 1.00 0.00 O ATOM 215 ND2 ASN A 18 13.279 -7.375 -4.033 1.00 0.00 N ATOM 0 H ASN A 18 11.869 -5.070 -2.720 1.00 0.00 H new ATOM 0 HA ASN A 18 9.643 -6.699 -3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.235 -7.126 -1.799 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.073 -8.417 -2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.723 -7.533 -4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.799 -6.919 -3.283 1.00 0.00 H new ATOM 222 N GLN A 19 10.088 -5.960 -0.135 1.00 0.00 N ATOM 223 CA GLN A 19 9.430 -5.947 1.166 1.00 0.00 C ATOM 224 C GLN A 19 8.045 -5.316 1.069 1.00 0.00 C ATOM 225 O GLN A 19 7.129 -5.690 1.803 1.00 0.00 O ATOM 226 CB GLN A 19 10.281 -5.184 2.183 1.00 0.00 C ATOM 227 CG GLN A 19 11.646 -5.808 2.424 1.00 0.00 C ATOM 228 CD GLN A 19 11.558 -7.260 2.848 1.00 0.00 C ATOM 229 OE1 GLN A 19 10.595 -7.673 3.496 1.00 0.00 O ATOM 230 NE2 GLN A 19 12.565 -8.046 2.484 1.00 0.00 N ATOM 0 H GLN A 19 11.006 -5.516 -0.148 1.00 0.00 H new ATOM 0 HA GLN A 19 9.317 -6.979 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.415 -4.159 1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.742 -5.132 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.240 -5.735 1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.170 -5.240 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.343 -7.662 1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.560 -9.033 2.741 1.00 0.00 H new ATOM 239 N ILE A 20 7.899 -4.357 0.161 1.00 0.00 N ATOM 240 CA ILE A 20 6.625 -3.675 -0.032 1.00 0.00 C ATOM 241 C ILE A 20 5.639 -4.557 -0.790 1.00 0.00 C ATOM 242 O ILE A 20 4.451 -4.591 -0.472 1.00 0.00 O ATOM 243 CB ILE A 20 6.806 -2.351 -0.797 1.00 0.00 C ATOM 244 CG1 ILE A 20 7.834 -1.465 -0.091 1.00 0.00 C ATOM 245 CG2 ILE A 20 5.474 -1.628 -0.925 1.00 0.00 C ATOM 246 CD1 ILE A 20 8.292 -0.288 -0.924 1.00 0.00 C ATOM 0 H ILE A 20 8.647 -4.035 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 20 6.228 -3.460 0.960 1.00 0.00 H new ATOM 0 HB ILE A 20 7.174 -2.574 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.404 -1.095 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.701 -2.070 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.618 -0.694 -1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.769 -2.258 -1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.080 -1.413 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.020 0.296 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.751 -0.650 -1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.435 0.340 -1.169 1.00 0.00 H new ATOM 258 N GLN A 21 6.141 -5.270 -1.793 1.00 0.00 N ATOM 259 CA GLN A 21 5.303 -6.154 -2.596 1.00 0.00 C ATOM 260 C GLN A 21 4.668 -7.237 -1.730 1.00 0.00 C ATOM 261 O GLN A 21 3.492 -7.562 -1.891 1.00 0.00 O ATOM 262 CB GLN A 21 6.127 -6.795 -3.714 1.00 0.00 C ATOM 263 CG GLN A 21 6.776 -5.786 -4.647 1.00 0.00 C ATOM 264 CD GLN A 21 6.948 -6.320 -6.056 1.00 0.00 C ATOM 265 OE1 GLN A 21 7.406 -7.446 -6.253 1.00 0.00 O ATOM 266 NE2 GLN A 21 6.582 -5.513 -7.044 1.00 0.00 N ATOM 0 H GLN A 21 7.123 -5.253 -2.069 1.00 0.00 H new ATOM 0 HA GLN A 21 4.507 -5.556 -3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.903 -7.418 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.483 -7.454 -4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.168 -4.882 -4.677 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.750 -5.503 -4.249 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.207 -4.588 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.675 -5.818 -8.013 1.00 0.00 H new ATOM 275 N GLU A 22 5.455 -7.792 -0.813 1.00 0.00 N ATOM 276 CA GLU A 22 4.968 -8.840 0.076 1.00 0.00 C ATOM 277 C GLU A 22 4.020 -8.266 1.126 1.00 0.00 C ATOM 278 O GLU A 22 3.036 -8.902 1.505 1.00 0.00 O ATOM 279 CB GLU A 22 6.142 -9.542 0.763 1.00 0.00 C ATOM 280 CG GLU A 22 6.920 -8.643 1.709 1.00 0.00 C ATOM 281 CD GLU A 22 8.109 -9.345 2.335 1.00 0.00 C ATOM 282 OE1 GLU A 22 8.768 -10.140 1.632 1.00 0.00 O ATOM 283 OE2 GLU A 22 8.380 -9.100 3.529 1.00 0.00 O ATOM 0 H GLU A 22 6.431 -7.534 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 22 4.420 -9.566 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.766 -10.401 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.820 -9.927 0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.267 -7.764 1.166 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.255 -8.289 2.497 1.00 0.00 H new ATOM 290 N THR A 23 4.324 -7.058 1.592 1.00 0.00 N ATOM 291 CA THR A 23 3.502 -6.398 2.598 1.00 0.00 C ATOM 292 C THR A 23 2.103 -6.112 2.063 1.00 0.00 C ATOM 293 O THR A 23 1.105 -6.506 2.667 1.00 0.00 O ATOM 294 CB THR A 23 4.141 -5.078 3.068 1.00 0.00 C ATOM 295 OG1 THR A 23 5.383 -5.342 3.729 1.00 0.00 O ATOM 296 CG2 THR A 23 3.208 -4.330 4.009 1.00 0.00 C ATOM 0 H THR A 23 5.134 -6.517 1.288 1.00 0.00 H new ATOM 0 HA THR A 23 3.431 -7.080 3.446 1.00 0.00 H new ATOM 0 HB THR A 23 4.322 -4.456 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.120 -5.248 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.681 -3.401 4.328 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.275 -4.104 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.999 -4.949 4.882 1.00 0.00 H new ATOM 304 N ILE A 24 2.039 -5.424 0.928 1.00 0.00 N ATOM 305 CA ILE A 24 0.762 -5.087 0.312 1.00 0.00 C ATOM 306 C ILE A 24 -0.111 -6.326 0.141 1.00 0.00 C ATOM 307 O ILE A 24 -1.336 -6.253 0.238 1.00 0.00 O ATOM 308 CB ILE A 24 0.959 -4.417 -1.061 1.00 0.00 C ATOM 309 CG1 ILE A 24 1.716 -5.354 -2.005 1.00 0.00 C ATOM 310 CG2 ILE A 24 1.701 -3.099 -0.906 1.00 0.00 C ATOM 311 CD1 ILE A 24 1.763 -4.861 -3.435 1.00 0.00 C ATOM 0 H ILE A 24 2.856 -5.089 0.417 1.00 0.00 H new ATOM 0 HA ILE A 24 0.264 -4.385 0.981 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.020 -4.210 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.735 -5.480 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.245 -6.337 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.832 -2.638 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.126 -2.431 -0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.677 -3.282 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.315 -5.574 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.748 -4.762 -3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.260 -3.892 -3.470 1.00 0.00 H new ATOM 323 N SER A 25 0.529 -7.463 -0.114 1.00 0.00 N ATOM 324 CA SER A 25 -0.188 -8.718 -0.300 1.00 0.00 C ATOM 325 C SER A 25 -0.772 -9.212 1.020 1.00 0.00 C ATOM 326 O SER A 25 -1.990 -9.322 1.170 1.00 0.00 O ATOM 327 CB SER A 25 0.744 -9.780 -0.887 1.00 0.00 C ATOM 328 OG SER A 25 0.082 -11.027 -1.012 1.00 0.00 O ATOM 0 H SER A 25 1.543 -7.540 -0.196 1.00 0.00 H new ATOM 0 HA SER A 25 -1.008 -8.539 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.101 -9.455 -1.864 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.620 -9.892 -0.249 1.00 0.00 H new ATOM 0 HG SER A 25 0.698 -11.688 -1.391 1.00 0.00 H new ATOM 334 N ASP A 26 0.104 -9.506 1.974 1.00 0.00 N ATOM 335 CA ASP A 26 -0.324 -9.987 3.282 1.00 0.00 C ATOM 336 C ASP A 26 -1.470 -9.140 3.825 1.00 0.00 C ATOM 337 O ASP A 26 -2.551 -9.652 4.114 1.00 0.00 O ATOM 338 CB ASP A 26 0.849 -9.969 4.264 1.00 0.00 C ATOM 339 CG ASP A 26 0.415 -10.252 5.689 1.00 0.00 C ATOM 340 OD1 ASP A 26 -0.023 -9.304 6.374 1.00 0.00 O ATOM 341 OD2 ASP A 26 0.515 -11.420 6.120 1.00 0.00 O ATOM 0 H ASP A 26 1.115 -9.420 1.866 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.677 -11.012 3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.587 -10.711 3.958 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.339 -8.996 4.223 1.00 0.00 H new ATOM 346 N ASN A 27 -1.226 -7.840 3.961 1.00 0.00 N ATOM 347 CA ASN A 27 -2.237 -6.921 4.471 1.00 0.00 C ATOM 348 C ASN A 27 -3.262 -6.588 3.391 1.00 0.00 C ATOM 349 O ASN A 27 -2.955 -6.610 2.199 1.00 0.00 O ATOM 350 CB ASN A 27 -1.580 -5.637 4.979 1.00 0.00 C ATOM 351 CG ASN A 27 -0.881 -5.833 6.311 1.00 0.00 C ATOM 352 OD1 ASN A 27 -1.527 -5.953 7.352 1.00 0.00 O ATOM 353 ND2 ASN A 27 0.447 -5.867 6.283 1.00 0.00 N ATOM 0 H ASN A 27 -0.337 -7.400 3.725 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.752 -7.409 5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.859 -5.285 4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.338 -4.860 5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.972 -5.997 7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.941 -5.763 5.397 1.00 0.00 H new ATOM 360 N CYS A 28 -4.483 -6.279 3.817 1.00 0.00 N ATOM 361 CA CYS A 28 -5.554 -5.940 2.889 1.00 0.00 C ATOM 362 C CYS A 28 -5.302 -4.583 2.238 1.00 0.00 C ATOM 363 O CYS A 28 -5.308 -4.459 1.013 1.00 0.00 O ATOM 364 CB CYS A 28 -6.901 -5.927 3.614 1.00 0.00 C ATOM 365 SG CYS A 28 -8.334 -5.680 2.518 1.00 0.00 S ATOM 0 H CYS A 28 -4.754 -6.257 4.800 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.576 -6.700 2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.023 -6.870 4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -6.890 -5.136 4.364 1.00 0.00 H new ATOM 370 N VAL A 29 -5.079 -3.568 3.066 1.00 0.00 N ATOM 371 CA VAL A 29 -4.822 -2.220 2.572 1.00 0.00 C ATOM 372 C VAL A 29 -3.592 -1.615 3.239 1.00 0.00 C ATOM 373 O VAL A 29 -3.370 -1.795 4.437 1.00 0.00 O ATOM 374 CB VAL A 29 -6.030 -1.295 2.812 1.00 0.00 C ATOM 375 CG1 VAL A 29 -5.732 0.112 2.318 1.00 0.00 C ATOM 376 CG2 VAL A 29 -7.272 -1.855 2.135 1.00 0.00 C ATOM 0 H VAL A 29 -5.071 -3.653 4.082 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.645 -2.304 1.500 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.220 -1.245 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.597 0.751 2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.870 0.511 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.515 0.084 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.116 -1.189 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.096 -1.937 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.495 -2.841 2.542 1.00 0.00 H new ATOM 386 N VAL A 30 -2.795 -0.895 2.456 1.00 0.00 N ATOM 387 CA VAL A 30 -1.587 -0.261 2.971 1.00 0.00 C ATOM 388 C VAL A 30 -1.461 1.172 2.467 1.00 0.00 C ATOM 389 O VAL A 30 -1.482 1.421 1.261 1.00 0.00 O ATOM 390 CB VAL A 30 -0.325 -1.048 2.568 1.00 0.00 C ATOM 391 CG1 VAL A 30 0.927 -0.335 3.056 1.00 0.00 C ATOM 392 CG2 VAL A 30 -0.387 -2.467 3.112 1.00 0.00 C ATOM 0 H VAL A 30 -2.964 -0.736 1.463 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.671 -0.255 4.058 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.283 -1.102 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.808 -0.905 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.975 0.660 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.896 -0.248 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.512 -3.009 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.454 -2.437 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.264 -2.973 2.709 1.00 0.00 H new ATOM 402 N ILE A 31 -1.331 2.111 3.398 1.00 0.00 N ATOM 403 CA ILE A 31 -1.200 3.520 3.047 1.00 0.00 C ATOM 404 C ILE A 31 0.161 4.066 3.465 1.00 0.00 C ATOM 405 O ILE A 31 0.489 4.106 4.651 1.00 0.00 O ATOM 406 CB ILE A 31 -2.305 4.368 3.705 1.00 0.00 C ATOM 407 CG1 ILE A 31 -3.685 3.821 3.338 1.00 0.00 C ATOM 408 CG2 ILE A 31 -2.176 5.824 3.282 1.00 0.00 C ATOM 409 CD1 ILE A 31 -4.783 4.271 4.276 1.00 0.00 C ATOM 0 H ILE A 31 -1.314 1.922 4.400 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.298 3.587 1.963 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.190 4.312 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.933 4.135 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.646 2.732 3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.963 6.411 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.203 6.207 3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.269 5.898 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.733 3.845 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.558 3.934 5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.850 5.359 4.262 1.00 0.00 H new ATOM 421 N PHE A 32 0.950 4.487 2.482 1.00 0.00 N ATOM 422 CA PHE A 32 2.277 5.032 2.747 1.00 0.00 C ATOM 423 C PHE A 32 2.274 6.553 2.624 1.00 0.00 C ATOM 424 O PHE A 32 2.204 7.098 1.522 1.00 0.00 O ATOM 425 CB PHE A 32 3.300 4.433 1.780 1.00 0.00 C ATOM 426 CG PHE A 32 3.651 3.006 2.088 1.00 0.00 C ATOM 427 CD1 PHE A 32 4.539 2.702 3.107 1.00 0.00 C ATOM 428 CD2 PHE A 32 3.095 1.968 1.357 1.00 0.00 C ATOM 429 CE1 PHE A 32 4.865 1.389 3.393 1.00 0.00 C ATOM 430 CE2 PHE A 32 3.416 0.654 1.639 1.00 0.00 C ATOM 431 CZ PHE A 32 4.303 0.364 2.658 1.00 0.00 C ATOM 0 H PHE A 32 0.694 4.461 1.495 1.00 0.00 H new ATOM 0 HA PHE A 32 2.554 4.768 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.906 4.491 0.765 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.208 5.036 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.982 3.500 3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.403 2.189 0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.558 1.165 4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.974 -0.146 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.556 -0.662 2.879 1.00 0.00 H new ATOM 441 N SER A 33 2.349 7.233 3.764 1.00 0.00 N ATOM 442 CA SER A 33 2.351 8.691 3.785 1.00 0.00 C ATOM 443 C SER A 33 3.655 9.224 4.372 1.00 0.00 C ATOM 444 O SER A 33 4.233 8.623 5.278 1.00 0.00 O ATOM 445 CB SER A 33 1.163 9.212 4.596 1.00 0.00 C ATOM 446 OG SER A 33 1.290 8.868 5.965 1.00 0.00 O ATOM 0 H SER A 33 2.409 6.798 4.684 1.00 0.00 H new ATOM 0 HA SER A 33 2.264 9.045 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.097 10.295 4.495 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.237 8.797 4.198 1.00 0.00 H new ATOM 0 HG SER A 33 0.519 9.214 6.462 1.00 0.00 H new ATOM 452 N LYS A 34 4.112 10.357 3.850 1.00 0.00 N ATOM 453 CA LYS A 34 5.346 10.974 4.321 1.00 0.00 C ATOM 454 C LYS A 34 5.052 12.250 5.104 1.00 0.00 C ATOM 455 O LYS A 34 5.818 13.213 5.053 1.00 0.00 O ATOM 456 CB LYS A 34 6.266 11.288 3.140 1.00 0.00 C ATOM 457 CG LYS A 34 5.577 12.042 2.015 1.00 0.00 C ATOM 458 CD LYS A 34 6.552 12.928 1.258 1.00 0.00 C ATOM 459 CE LYS A 34 6.056 13.228 -0.148 1.00 0.00 C ATOM 460 NZ LYS A 34 5.218 14.458 -0.190 1.00 0.00 N ATOM 0 H LYS A 34 3.646 10.867 3.100 1.00 0.00 H new ATOM 0 HA LYS A 34 5.845 10.268 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.112 11.876 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.670 10.355 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.120 11.332 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.772 12.652 2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.694 13.862 1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.525 12.439 1.205 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.909 13.347 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.477 12.381 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.970 14.676 -1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.349 14.305 0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.749 15.254 0.217 1.00 0.00 H new ATOM 474 N THR A 35 3.938 12.251 5.829 1.00 0.00 N ATOM 475 CA THR A 35 3.543 13.408 6.622 1.00 0.00 C ATOM 476 C THR A 35 3.978 14.707 5.954 1.00 0.00 C ATOM 477 O THR A 35 4.469 15.622 6.616 1.00 0.00 O ATOM 478 CB THR A 35 4.142 13.347 8.040 1.00 0.00 C ATOM 479 OG1 THR A 35 5.570 13.432 7.973 1.00 0.00 O ATOM 480 CG2 THR A 35 3.737 12.061 8.744 1.00 0.00 C ATOM 0 H THR A 35 3.293 11.463 5.883 1.00 0.00 H new ATOM 0 HA THR A 35 2.456 13.386 6.693 1.00 0.00 H new ATOM 0 HB THR A 35 3.755 14.191 8.610 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.943 13.394 8.879 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.172 12.041 9.743 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.651 12.014 8.820 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.098 11.205 8.174 1.00 0.00 H new ATOM 488 N SER A 36 3.795 14.782 4.640 1.00 0.00 N ATOM 489 CA SER A 36 4.172 15.969 3.882 1.00 0.00 C ATOM 490 C SER A 36 2.957 16.581 3.192 1.00 0.00 C ATOM 491 O SER A 36 2.738 17.791 3.255 1.00 0.00 O ATOM 492 CB SER A 36 5.240 15.619 2.843 1.00 0.00 C ATOM 493 OG SER A 36 6.492 15.378 3.461 1.00 0.00 O ATOM 0 H SER A 36 3.388 14.035 4.078 1.00 0.00 H new ATOM 0 HA SER A 36 4.580 16.701 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.931 14.736 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.336 16.434 2.126 1.00 0.00 H new ATOM 0 HG SER A 36 6.421 14.598 4.050 1.00 0.00 H new ATOM 499 N CYS A 37 2.171 15.737 2.533 1.00 0.00 N ATOM 500 CA CYS A 37 0.978 16.194 1.829 1.00 0.00 C ATOM 501 C CYS A 37 -0.261 16.042 2.705 1.00 0.00 C ATOM 502 O CYS A 37 -0.496 14.983 3.287 1.00 0.00 O ATOM 503 CB CYS A 37 0.797 15.411 0.528 1.00 0.00 C ATOM 504 SG CYS A 37 -0.145 16.293 -0.739 1.00 0.00 S ATOM 0 H CYS A 37 2.338 14.733 2.471 1.00 0.00 H new ATOM 0 HA CYS A 37 1.107 17.250 1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.779 15.161 0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.294 14.470 0.750 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.243 15.551 -1.802 1.00 0.00 H new ATOM 510 N SER A 38 -1.051 17.107 2.796 1.00 0.00 N ATOM 511 CA SER A 38 -2.263 17.094 3.605 1.00 0.00 C ATOM 512 C SER A 38 -3.070 15.824 3.355 1.00 0.00 C ATOM 513 O SER A 38 -3.468 15.133 4.293 1.00 0.00 O ATOM 514 CB SER A 38 -3.120 18.324 3.299 1.00 0.00 C ATOM 515 OG SER A 38 -2.629 19.469 3.974 1.00 0.00 O ATOM 0 H SER A 38 -0.873 17.991 2.319 1.00 0.00 H new ATOM 0 HA SER A 38 -1.969 17.117 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.128 18.507 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.151 18.136 3.598 1.00 0.00 H new ATOM 0 HG SER A 38 -3.193 20.242 3.760 1.00 0.00 H new ATOM 521 N TYR A 39 -3.307 15.522 2.083 1.00 0.00 N ATOM 522 CA TYR A 39 -4.068 14.336 1.708 1.00 0.00 C ATOM 523 C TYR A 39 -3.745 13.166 2.632 1.00 0.00 C ATOM 524 O TYR A 39 -4.596 12.317 2.898 1.00 0.00 O ATOM 525 CB TYR A 39 -3.770 13.952 0.257 1.00 0.00 C ATOM 526 CG TYR A 39 -4.463 14.832 -0.757 1.00 0.00 C ATOM 527 CD1 TYR A 39 -5.847 14.823 -0.885 1.00 0.00 C ATOM 528 CD2 TYR A 39 -3.735 15.675 -1.587 1.00 0.00 C ATOM 529 CE1 TYR A 39 -6.484 15.625 -1.811 1.00 0.00 C ATOM 530 CE2 TYR A 39 -4.364 16.483 -2.515 1.00 0.00 C ATOM 531 CZ TYR A 39 -5.739 16.454 -2.624 1.00 0.00 C ATOM 532 OH TYR A 39 -6.370 17.256 -3.546 1.00 0.00 O ATOM 0 H TYR A 39 -2.983 16.082 1.294 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.128 14.570 1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.694 13.999 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.072 12.917 0.094 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.434 14.177 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.658 15.699 -1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.560 15.603 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.782 17.134 -3.151 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.702 17.779 -4.037 1.00 0.00 H new ATOM 542 N CYS A 40 -2.510 13.130 3.120 1.00 0.00 N ATOM 543 CA CYS A 40 -2.072 12.064 4.015 1.00 0.00 C ATOM 544 C CYS A 40 -3.173 11.701 5.006 1.00 0.00 C ATOM 545 O CYS A 40 -3.408 10.525 5.287 1.00 0.00 O ATOM 546 CB CYS A 40 -0.811 12.489 4.769 1.00 0.00 C ATOM 547 SG CYS A 40 -1.060 13.873 5.904 1.00 0.00 S ATOM 0 H CYS A 40 -1.794 13.826 2.911 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.847 11.185 3.411 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.432 11.636 5.331 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.042 12.760 4.045 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.048 14.989 5.237 1.00 0.00 H new ATOM 553 N THR A 41 -3.845 12.718 5.535 1.00 0.00 N ATOM 554 CA THR A 41 -4.919 12.507 6.498 1.00 0.00 C ATOM 555 C THR A 41 -6.189 12.023 5.806 1.00 0.00 C ATOM 556 O THR A 41 -6.908 11.174 6.332 1.00 0.00 O ATOM 557 CB THR A 41 -5.234 13.795 7.281 1.00 0.00 C ATOM 558 OG1 THR A 41 -6.041 13.489 8.423 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.956 14.803 6.399 1.00 0.00 C ATOM 0 H THR A 41 -3.665 13.697 5.313 1.00 0.00 H new ATOM 0 HA THR A 41 -4.573 11.743 7.195 1.00 0.00 H new ATOM 0 HB THR A 41 -4.292 14.233 7.609 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.236 14.313 8.916 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.168 15.704 6.974 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.327 15.057 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.892 14.371 6.044 1.00 0.00 H new ATOM 567 N MET A 42 -6.459 12.569 4.625 1.00 0.00 N ATOM 568 CA MET A 42 -7.642 12.191 3.861 1.00 0.00 C ATOM 569 C MET A 42 -7.747 10.674 3.737 1.00 0.00 C ATOM 570 O MET A 42 -8.757 10.080 4.114 1.00 0.00 O ATOM 571 CB MET A 42 -7.602 12.826 2.470 1.00 0.00 C ATOM 572 CG MET A 42 -8.261 14.194 2.408 1.00 0.00 C ATOM 573 SD MET A 42 -10.048 14.095 2.188 1.00 0.00 S ATOM 574 CE MET A 42 -10.150 13.492 0.505 1.00 0.00 C ATOM 0 H MET A 42 -5.875 13.275 4.176 1.00 0.00 H new ATOM 0 HA MET A 42 -8.520 12.556 4.394 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.564 12.917 2.151 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.096 12.161 1.762 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.042 14.741 3.325 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.829 14.764 1.586 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.126 13.741 0.088 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.369 13.958 -0.096 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.017 12.410 0.497 1.00 0.00 H new ATOM 584 N ALA A 43 -6.698 10.054 3.207 1.00 0.00 N ATOM 585 CA ALA A 43 -6.673 8.607 3.035 1.00 0.00 C ATOM 586 C ALA A 43 -7.227 7.898 4.266 1.00 0.00 C ATOM 587 O ALA A 43 -8.243 7.207 4.193 1.00 0.00 O ATOM 588 CB ALA A 43 -5.256 8.134 2.745 1.00 0.00 C ATOM 0 H ALA A 43 -5.854 10.531 2.889 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.309 8.356 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.252 7.051 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.894 8.607 1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.605 8.405 3.576 1.00 0.00 H new ATOM 594 N LYS A 44 -6.554 8.074 5.398 1.00 0.00 N ATOM 595 CA LYS A 44 -6.978 7.452 6.646 1.00 0.00 C ATOM 596 C LYS A 44 -8.401 7.869 7.005 1.00 0.00 C ATOM 597 O LYS A 44 -9.202 7.052 7.460 1.00 0.00 O ATOM 598 CB LYS A 44 -6.023 7.831 7.780 1.00 0.00 C ATOM 599 CG LYS A 44 -4.727 7.040 7.774 1.00 0.00 C ATOM 600 CD LYS A 44 -3.632 7.769 7.014 1.00 0.00 C ATOM 601 CE LYS A 44 -2.802 8.647 7.939 1.00 0.00 C ATOM 602 NZ LYS A 44 -3.657 9.526 8.783 1.00 0.00 N ATOM 0 H LYS A 44 -5.711 8.643 5.476 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.958 6.371 6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.791 8.894 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.527 7.679 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.403 6.863 8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.898 6.064 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.985 7.044 6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.077 8.382 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.184 8.018 8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.124 9.261 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.068 10.255 9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.379 9.982 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.123 8.956 9.517 1.00 0.00 H new ATOM 616 N LYS A 45 -8.710 9.144 6.796 1.00 0.00 N ATOM 617 CA LYS A 45 -10.036 9.670 7.095 1.00 0.00 C ATOM 618 C LYS A 45 -11.108 8.924 6.306 1.00 0.00 C ATOM 619 O LYS A 45 -12.228 8.739 6.782 1.00 0.00 O ATOM 620 CB LYS A 45 -10.100 11.165 6.773 1.00 0.00 C ATOM 621 CG LYS A 45 -11.069 11.936 7.652 1.00 0.00 C ATOM 622 CD LYS A 45 -10.388 12.466 8.903 1.00 0.00 C ATOM 623 CE LYS A 45 -11.360 12.565 10.068 1.00 0.00 C ATOM 624 NZ LYS A 45 -12.362 13.648 9.863 1.00 0.00 N ATOM 0 H LYS A 45 -8.059 9.833 6.420 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.225 9.525 8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.104 11.594 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.390 11.291 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.492 12.767 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.899 11.288 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.560 11.810 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.963 13.448 8.698 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.875 11.613 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.806 12.752 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.006 13.684 10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.872 14.561 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.908 13.457 8.999 1.00 0.00 H new ATOM 638 N LEU A 46 -10.756 8.495 5.099 1.00 0.00 N ATOM 639 CA LEU A 46 -11.687 7.767 4.244 1.00 0.00 C ATOM 640 C LEU A 46 -11.944 6.366 4.789 1.00 0.00 C ATOM 641 O LEU A 46 -13.089 5.982 5.030 1.00 0.00 O ATOM 642 CB LEU A 46 -11.139 7.679 2.818 1.00 0.00 C ATOM 643 CG LEU A 46 -11.810 6.654 1.904 1.00 0.00 C ATOM 644 CD1 LEU A 46 -13.192 7.133 1.487 1.00 0.00 C ATOM 645 CD2 LEU A 46 -10.946 6.384 0.681 1.00 0.00 C ATOM 0 H LEU A 46 -9.833 8.639 4.690 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.631 8.311 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.227 8.662 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.075 7.446 2.872 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.923 5.722 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.654 6.390 0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.811 7.274 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -13.103 8.078 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.439 5.652 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.801 7.311 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.978 5.995 0.998 1.00 0.00 H new ATOM 657 N PHE A 47 -10.872 5.606 4.984 1.00 0.00 N ATOM 658 CA PHE A 47 -10.981 4.247 5.502 1.00 0.00 C ATOM 659 C PHE A 47 -11.563 4.248 6.912 1.00 0.00 C ATOM 660 O PHE A 47 -12.554 3.570 7.188 1.00 0.00 O ATOM 661 CB PHE A 47 -9.610 3.568 5.505 1.00 0.00 C ATOM 662 CG PHE A 47 -9.128 3.186 4.134 1.00 0.00 C ATOM 663 CD1 PHE A 47 -9.622 2.057 3.501 1.00 0.00 C ATOM 664 CD2 PHE A 47 -8.179 3.955 3.480 1.00 0.00 C ATOM 665 CE1 PHE A 47 -9.181 1.702 2.240 1.00 0.00 C ATOM 666 CE2 PHE A 47 -7.735 3.606 2.219 1.00 0.00 C ATOM 667 CZ PHE A 47 -8.235 2.478 1.599 1.00 0.00 C ATOM 0 H PHE A 47 -9.917 5.908 4.791 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.654 3.689 4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.883 4.238 5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.657 2.674 6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.361 1.447 3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.782 4.837 3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.575 0.820 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.997 4.215 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.887 2.203 0.614 1.00 0.00 H new ATOM 677 N HIS A 48 -10.941 5.015 7.803 1.00 0.00 N ATOM 678 CA HIS A 48 -11.397 5.105 9.185 1.00 0.00 C ATOM 679 C HIS A 48 -12.915 5.241 9.249 1.00 0.00 C ATOM 680 O HIS A 48 -13.575 4.575 10.047 1.00 0.00 O ATOM 681 CB HIS A 48 -10.736 6.293 9.886 1.00 0.00 C ATOM 682 CG HIS A 48 -10.636 6.132 11.371 1.00 0.00 C ATOM 683 ND1 HIS A 48 -9.700 6.793 12.138 1.00 0.00 N ATOM 684 CD2 HIS A 48 -11.362 5.380 12.232 1.00 0.00 C ATOM 685 CE1 HIS A 48 -9.854 6.454 13.406 1.00 0.00 C ATOM 686 NE2 HIS A 48 -10.856 5.598 13.490 1.00 0.00 N ATOM 0 H HIS A 48 -10.120 5.583 7.592 1.00 0.00 H new ATOM 0 HA HIS A 48 -11.111 4.186 9.697 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.736 6.436 9.476 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.303 7.197 9.664 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.186 4.730 11.977 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.261 6.816 14.233 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.198 5.169 14.349 1.00 0.00 H new ATOM 694 N ASP A 49 -13.462 6.109 8.405 1.00 0.00 N ATOM 695 CA ASP A 49 -14.902 6.333 8.365 1.00 0.00 C ATOM 696 C ASP A 49 -15.634 5.080 7.894 1.00 0.00 C ATOM 697 O ASP A 49 -16.741 4.788 8.347 1.00 0.00 O ATOM 698 CB ASP A 49 -15.232 7.508 7.443 1.00 0.00 C ATOM 699 CG ASP A 49 -16.707 7.858 7.457 1.00 0.00 C ATOM 700 OD1 ASP A 49 -17.330 7.762 8.535 1.00 0.00 O ATOM 701 OD2 ASP A 49 -17.238 8.230 6.389 1.00 0.00 O ATOM 0 H ASP A 49 -12.930 6.669 7.739 1.00 0.00 H new ATOM 0 HA ASP A 49 -15.236 6.569 9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.652 8.379 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.929 7.263 6.425 1.00 0.00 H new ATOM 706 N MET A 50 -15.009 4.344 6.981 1.00 0.00 N ATOM 707 CA MET A 50 -15.601 3.122 6.449 1.00 0.00 C ATOM 708 C MET A 50 -15.444 1.968 7.434 1.00 0.00 C ATOM 709 O MET A 50 -16.003 0.890 7.235 1.00 0.00 O ATOM 710 CB MET A 50 -14.956 2.758 5.111 1.00 0.00 C ATOM 711 CG MET A 50 -15.068 3.854 4.063 1.00 0.00 C ATOM 712 SD MET A 50 -13.687 3.850 2.904 1.00 0.00 S ATOM 713 CE MET A 50 -13.606 2.112 2.480 1.00 0.00 C ATOM 0 H MET A 50 -14.093 4.572 6.594 1.00 0.00 H new ATOM 0 HA MET A 50 -16.665 3.301 6.294 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.903 2.530 5.275 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.423 1.851 4.727 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.000 3.730 3.512 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.117 4.823 4.560 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.179 2.000 1.483 1.00 0.00 H new ATOM 0 HE2 MET A 50 -12.980 1.590 3.203 1.00 0.00 H new ATOM 0 HE3 MET A 50 -14.609 1.687 2.495 1.00 0.00 H new ATOM 723 N ASN A 51 -14.679 2.201 8.495 1.00 0.00 N ATOM 724 CA ASN A 51 -14.448 1.180 9.510 1.00 0.00 C ATOM 725 C ASN A 51 -13.742 -0.032 8.911 1.00 0.00 C ATOM 726 O ASN A 51 -14.004 -1.171 9.299 1.00 0.00 O ATOM 727 CB ASN A 51 -15.773 0.752 10.144 1.00 0.00 C ATOM 728 CG ASN A 51 -16.501 1.909 10.800 1.00 0.00 C ATOM 729 OD1 ASN A 51 -15.929 2.979 11.008 1.00 0.00 O ATOM 730 ND2 ASN A 51 -17.770 1.699 11.129 1.00 0.00 N ATOM 0 H ASN A 51 -14.208 3.088 8.674 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.806 1.607 10.281 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.412 0.311 9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.583 -0.023 10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -18.311 2.441 11.573 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.204 0.796 10.938 1.00 0.00 H new ATOM 737 N VAL A 52 -12.845 0.220 7.963 1.00 0.00 N ATOM 738 CA VAL A 52 -12.100 -0.850 7.311 1.00 0.00 C ATOM 739 C VAL A 52 -10.659 -0.898 7.807 1.00 0.00 C ATOM 740 O VAL A 52 -9.828 -0.083 7.411 1.00 0.00 O ATOM 741 CB VAL A 52 -12.098 -0.680 5.780 1.00 0.00 C ATOM 742 CG1 VAL A 52 -11.280 -1.781 5.121 1.00 0.00 C ATOM 743 CG2 VAL A 52 -13.522 -0.669 5.244 1.00 0.00 C ATOM 0 H VAL A 52 -12.617 1.156 7.629 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.600 -1.784 7.565 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.635 0.277 5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.290 -1.644 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.253 -1.737 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.710 -2.751 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.502 -0.548 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.013 -1.609 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.073 0.158 5.691 1.00 0.00 H new ATOM 753 N ASN A 53 -10.371 -1.861 8.678 1.00 0.00 N ATOM 754 CA ASN A 53 -9.030 -2.016 9.229 1.00 0.00 C ATOM 755 C ASN A 53 -7.970 -1.729 8.170 1.00 0.00 C ATOM 756 O ASN A 53 -7.799 -2.498 7.224 1.00 0.00 O ATOM 757 CB ASN A 53 -8.845 -3.430 9.783 1.00 0.00 C ATOM 758 CG ASN A 53 -7.639 -3.539 10.697 1.00 0.00 C ATOM 759 OD1 ASN A 53 -6.531 -3.150 10.330 1.00 0.00 O ATOM 760 ND2 ASN A 53 -7.852 -4.072 11.895 1.00 0.00 N ATOM 0 H ASN A 53 -11.048 -2.545 9.017 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.911 -1.297 10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.741 -3.723 10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.735 -4.130 8.955 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.079 -4.172 12.553 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.788 -4.381 12.157 1.00 0.00 H new ATOM 767 N TYR A 54 -7.260 -0.619 8.337 1.00 0.00 N ATOM 768 CA TYR A 54 -6.217 -0.230 7.395 1.00 0.00 C ATOM 769 C TYR A 54 -4.850 -0.215 8.072 1.00 0.00 C ATOM 770 O TYR A 54 -4.744 -0.362 9.290 1.00 0.00 O ATOM 771 CB TYR A 54 -6.522 1.148 6.806 1.00 0.00 C ATOM 772 CG TYR A 54 -6.374 2.278 7.800 1.00 0.00 C ATOM 773 CD1 TYR A 54 -7.397 2.586 8.689 1.00 0.00 C ATOM 774 CD2 TYR A 54 -5.213 3.039 7.850 1.00 0.00 C ATOM 775 CE1 TYR A 54 -7.267 3.618 9.598 1.00 0.00 C ATOM 776 CE2 TYR A 54 -5.073 4.071 8.756 1.00 0.00 C ATOM 777 CZ TYR A 54 -6.103 4.357 9.628 1.00 0.00 C ATOM 778 OH TYR A 54 -5.969 5.386 10.532 1.00 0.00 O ATOM 0 H TYR A 54 -7.388 0.027 9.116 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.196 -0.965 6.591 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.856 1.328 5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.540 1.150 6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.309 2.008 8.669 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.405 2.819 7.168 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.072 3.845 10.281 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.162 4.651 8.782 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.026 5.647 10.593 1.00 0.00 H new ATOM 788 N LYS A 55 -3.804 -0.036 7.273 1.00 0.00 N ATOM 789 CA LYS A 55 -2.441 0.001 7.791 1.00 0.00 C ATOM 790 C LYS A 55 -1.647 1.136 7.154 1.00 0.00 C ATOM 791 O LYS A 55 -1.317 1.088 5.969 1.00 0.00 O ATOM 792 CB LYS A 55 -1.739 -1.334 7.533 1.00 0.00 C ATOM 793 CG LYS A 55 -0.623 -1.635 8.518 1.00 0.00 C ATOM 794 CD LYS A 55 0.705 -1.065 8.047 1.00 0.00 C ATOM 795 CE LYS A 55 1.462 -2.060 7.181 1.00 0.00 C ATOM 796 NZ LYS A 55 1.898 -3.253 7.958 1.00 0.00 N ATOM 0 H LYS A 55 -3.874 0.086 6.263 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.492 0.176 8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.476 -2.136 7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.329 -1.330 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.874 -1.217 9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.532 -2.713 8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.530 -0.149 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.313 -0.796 8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.827 -2.378 6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.334 -1.572 6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.685 -3.720 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.211 -2.956 8.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.103 -3.917 8.049 1.00 0.00 H new ATOM 810 N VAL A 56 -1.342 2.158 7.948 1.00 0.00 N ATOM 811 CA VAL A 56 -0.584 3.305 7.462 1.00 0.00 C ATOM 812 C VAL A 56 0.871 3.232 7.911 1.00 0.00 C ATOM 813 O VAL A 56 1.164 2.837 9.039 1.00 0.00 O ATOM 814 CB VAL A 56 -1.196 4.630 7.953 1.00 0.00 C ATOM 815 CG1 VAL A 56 -0.662 4.987 9.332 1.00 0.00 C ATOM 816 CG2 VAL A 56 -0.915 5.747 6.958 1.00 0.00 C ATOM 0 H VAL A 56 -1.608 2.215 8.931 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.627 3.275 6.373 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.276 4.505 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.106 5.926 9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.919 4.197 10.037 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.422 5.094 9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.355 6.676 7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.162 5.874 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.351 5.492 5.992 1.00 0.00 H new ATOM 826 N VAL A 57 1.779 3.617 7.020 1.00 0.00 N ATOM 827 CA VAL A 57 3.205 3.597 7.325 1.00 0.00 C ATOM 828 C VAL A 57 3.851 4.943 7.017 1.00 0.00 C ATOM 829 O VAL A 57 3.932 5.353 5.859 1.00 0.00 O ATOM 830 CB VAL A 57 3.933 2.496 6.531 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.402 2.437 6.924 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.260 1.149 6.749 1.00 0.00 C ATOM 0 H VAL A 57 1.553 3.946 6.082 1.00 0.00 H new ATOM 0 HA VAL A 57 3.299 3.388 8.391 1.00 0.00 H new ATOM 0 HB VAL A 57 3.875 2.738 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.900 1.654 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.874 3.396 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.485 2.219 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.787 0.383 6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.286 0.897 7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.224 1.201 6.414 1.00 0.00 H new ATOM 842 N GLU A 58 4.311 5.625 8.061 1.00 0.00 N ATOM 843 CA GLU A 58 4.951 6.926 7.901 1.00 0.00 C ATOM 844 C GLU A 58 6.400 6.768 7.451 1.00 0.00 C ATOM 845 O GLU A 58 7.287 6.493 8.261 1.00 0.00 O ATOM 846 CB GLU A 58 4.895 7.711 9.213 1.00 0.00 C ATOM 847 CG GLU A 58 3.495 7.833 9.791 1.00 0.00 C ATOM 848 CD GLU A 58 3.153 6.696 10.734 1.00 0.00 C ATOM 849 OE1 GLU A 58 3.902 6.491 11.712 1.00 0.00 O ATOM 850 OE2 GLU A 58 2.136 6.012 10.495 1.00 0.00 O ATOM 0 H GLU A 58 4.253 5.299 9.026 1.00 0.00 H new ATOM 0 HA GLU A 58 4.409 7.477 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.540 7.225 9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.298 8.710 9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.407 8.780 10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.770 7.856 8.977 1.00 0.00 H new ATOM 857 N LEU A 59 6.634 6.942 6.155 1.00 0.00 N ATOM 858 CA LEU A 59 7.976 6.819 5.596 1.00 0.00 C ATOM 859 C LEU A 59 8.853 7.992 6.022 1.00 0.00 C ATOM 860 O LEU A 59 9.969 7.802 6.507 1.00 0.00 O ATOM 861 CB LEU A 59 7.909 6.745 4.070 1.00 0.00 C ATOM 862 CG LEU A 59 7.136 5.560 3.488 1.00 0.00 C ATOM 863 CD1 LEU A 59 6.967 5.719 1.985 1.00 0.00 C ATOM 864 CD2 LEU A 59 7.843 4.252 3.812 1.00 0.00 C ATOM 0 H LEU A 59 5.912 7.169 5.471 1.00 0.00 H new ATOM 0 HA LEU A 59 8.420 5.900 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.456 7.665 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.927 6.714 3.683 1.00 0.00 H new ATOM 0 HG LEU A 59 6.146 5.537 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.415 4.867 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.417 6.637 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.948 5.768 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.279 3.420 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.846 4.265 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.911 4.133 4.893 1.00 0.00 H new ATOM 876 N ASP A 60 8.341 9.204 5.839 1.00 0.00 N ATOM 877 CA ASP A 60 9.077 10.408 6.207 1.00 0.00 C ATOM 878 C ASP A 60 9.743 10.243 7.569 1.00 0.00 C ATOM 879 O ASP A 60 10.922 10.558 7.737 1.00 0.00 O ATOM 880 CB ASP A 60 8.140 11.617 6.227 1.00 0.00 C ATOM 881 CG ASP A 60 8.876 12.924 6.003 1.00 0.00 C ATOM 882 OD1 ASP A 60 9.113 13.277 4.829 1.00 0.00 O ATOM 883 OD2 ASP A 60 9.216 13.592 7.002 1.00 0.00 O ATOM 0 H ASP A 60 7.420 9.379 5.438 1.00 0.00 H new ATOM 0 HA ASP A 60 9.854 10.572 5.460 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.379 11.496 5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.621 11.655 7.185 1.00 0.00 H new ATOM 888 N LEU A 61 8.982 9.748 8.538 1.00 0.00 N ATOM 889 CA LEU A 61 9.498 9.542 9.887 1.00 0.00 C ATOM 890 C LEU A 61 10.499 8.392 9.917 1.00 0.00 C ATOM 891 O LEU A 61 11.523 8.463 10.597 1.00 0.00 O ATOM 892 CB LEU A 61 8.349 9.258 10.856 1.00 0.00 C ATOM 893 CG LEU A 61 7.122 10.162 10.726 1.00 0.00 C ATOM 894 CD1 LEU A 61 6.022 9.707 11.672 1.00 0.00 C ATOM 895 CD2 LEU A 61 7.497 11.611 10.998 1.00 0.00 C ATOM 0 H LEU A 61 8.005 9.482 8.415 1.00 0.00 H new ATOM 0 HA LEU A 61 10.010 10.453 10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.030 8.225 10.718 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.730 9.340 11.874 1.00 0.00 H new ATOM 0 HG LEU A 61 6.747 10.090 9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.157 10.362 11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.735 8.684 11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.385 9.749 12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.612 12.240 10.901 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.897 11.700 12.008 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.251 11.933 10.280 1.00 0.00 H new ATOM 907 N LEU A 62 10.198 7.333 9.173 1.00 0.00 N ATOM 908 CA LEU A 62 11.073 6.167 9.112 1.00 0.00 C ATOM 909 C LEU A 62 12.496 6.573 8.740 1.00 0.00 C ATOM 910 O LEU A 62 12.703 7.395 7.848 1.00 0.00 O ATOM 911 CB LEU A 62 10.538 5.156 8.097 1.00 0.00 C ATOM 912 CG LEU A 62 9.378 4.279 8.571 1.00 0.00 C ATOM 913 CD1 LEU A 62 8.759 3.533 7.399 1.00 0.00 C ATOM 914 CD2 LEU A 62 9.851 3.301 9.637 1.00 0.00 C ATOM 0 H LEU A 62 9.355 7.258 8.604 1.00 0.00 H new ATOM 0 HA LEU A 62 11.092 5.706 10.100 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.217 5.699 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.359 4.506 7.795 1.00 0.00 H new ATOM 0 HG LEU A 62 8.616 4.923 9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.936 2.914 7.756 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.384 4.250 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.513 2.899 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.013 2.685 9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.632 2.662 9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.247 3.854 10.488 1.00 0.00 H new ATOM 926 N GLU A 63 13.471 5.989 9.429 1.00 0.00 N ATOM 927 CA GLU A 63 14.874 6.290 9.169 1.00 0.00 C ATOM 928 C GLU A 63 15.232 6.003 7.714 1.00 0.00 C ATOM 929 O GLU A 63 15.957 6.770 7.079 1.00 0.00 O ATOM 930 CB GLU A 63 15.774 5.472 10.098 1.00 0.00 C ATOM 931 CG GLU A 63 15.805 3.990 9.765 1.00 0.00 C ATOM 932 CD GLU A 63 16.696 3.199 10.704 1.00 0.00 C ATOM 933 OE1 GLU A 63 16.723 3.524 11.909 1.00 0.00 O ATOM 934 OE2 GLU A 63 17.366 2.257 10.233 1.00 0.00 O ATOM 0 H GLU A 63 13.316 5.306 10.170 1.00 0.00 H new ATOM 0 HA GLU A 63 15.033 7.351 9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.788 5.868 10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.432 5.598 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.792 3.590 9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.155 3.859 8.741 1.00 0.00 H new ATOM 941 N TYR A 64 14.719 4.895 7.192 1.00 0.00 N ATOM 942 CA TYR A 64 14.986 4.505 5.813 1.00 0.00 C ATOM 943 C TYR A 64 13.831 4.905 4.900 1.00 0.00 C ATOM 944 O TYR A 64 13.478 4.179 3.972 1.00 0.00 O ATOM 945 CB TYR A 64 15.222 2.996 5.725 1.00 0.00 C ATOM 946 CG TYR A 64 14.416 2.197 6.724 1.00 0.00 C ATOM 947 CD1 TYR A 64 13.055 1.987 6.539 1.00 0.00 C ATOM 948 CD2 TYR A 64 15.015 1.654 7.854 1.00 0.00 C ATOM 949 CE1 TYR A 64 12.314 1.259 7.451 1.00 0.00 C ATOM 950 CE2 TYR A 64 14.283 0.923 8.769 1.00 0.00 C ATOM 951 CZ TYR A 64 12.933 0.729 8.563 1.00 0.00 C ATOM 952 OH TYR A 64 12.200 0.002 9.474 1.00 0.00 O ATOM 0 H TYR A 64 14.116 4.251 7.703 1.00 0.00 H new ATOM 0 HA TYR A 64 15.884 5.027 5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 64 14.977 2.657 4.719 1.00 0.00 H new ATOM 0 HB3 TYR A 64 16.282 2.793 5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.568 2.400 5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 64 16.071 1.806 8.020 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.257 1.106 7.293 1.00 0.00 H new ATOM 0 HE2 TYR A 64 14.765 0.506 9.641 1.00 0.00 H new ATOM 0 HH TYR A 64 12.786 -0.301 10.198 1.00 0.00 H new ATOM 962 N GLY A 65 13.245 6.067 5.172 1.00 0.00 N ATOM 963 CA GLY A 65 12.137 6.546 4.367 1.00 0.00 C ATOM 964 C GLY A 65 12.520 6.749 2.915 1.00 0.00 C ATOM 965 O GLY A 65 11.892 6.192 2.016 1.00 0.00 O ATOM 0 H GLY A 65 13.518 6.685 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.314 5.833 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.773 7.488 4.779 1.00 0.00 H new ATOM 969 N ASN A 66 13.554 7.552 2.684 1.00 0.00 N ATOM 970 CA ASN A 66 14.018 7.830 1.330 1.00 0.00 C ATOM 971 C ASN A 66 14.153 6.541 0.526 1.00 0.00 C ATOM 972 O ASN A 66 13.994 6.541 -0.695 1.00 0.00 O ATOM 973 CB ASN A 66 15.361 8.562 1.370 1.00 0.00 C ATOM 974 CG ASN A 66 16.013 8.650 0.003 1.00 0.00 C ATOM 975 OD1 ASN A 66 15.871 9.649 -0.702 1.00 0.00 O ATOM 976 ND2 ASN A 66 16.731 7.600 -0.378 1.00 0.00 N ATOM 0 H ASN A 66 14.086 8.021 3.417 1.00 0.00 H new ATOM 0 HA ASN A 66 13.279 8.466 0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.212 9.567 1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 66 16.032 8.047 2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.192 7.600 -1.288 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.822 6.793 0.239 1.00 0.00 H new ATOM 983 N GLN A 67 14.446 5.445 1.219 1.00 0.00 N ATOM 984 CA GLN A 67 14.601 4.150 0.569 1.00 0.00 C ATOM 985 C GLN A 67 13.273 3.664 -0.002 1.00 0.00 C ATOM 986 O GLN A 67 13.070 3.662 -1.216 1.00 0.00 O ATOM 987 CB GLN A 67 15.152 3.122 1.559 1.00 0.00 C ATOM 988 CG GLN A 67 16.513 3.491 2.126 1.00 0.00 C ATOM 989 CD GLN A 67 17.653 3.110 1.203 1.00 0.00 C ATOM 990 OE1 GLN A 67 17.626 3.407 0.008 1.00 0.00 O ATOM 991 NE2 GLN A 67 18.664 2.447 1.753 1.00 0.00 N ATOM 0 H GLN A 67 14.581 5.429 2.230 1.00 0.00 H new ATOM 0 HA GLN A 67 15.307 4.267 -0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.445 3.006 2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.225 2.155 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.545 4.564 2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.648 2.996 3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.645 2.222 2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.459 2.163 1.181 1.00 0.00 H new ATOM 1000 N PHE A 68 12.371 3.251 0.882 1.00 0.00 N ATOM 1001 CA PHE A 68 11.062 2.761 0.467 1.00 0.00 C ATOM 1002 C PHE A 68 10.324 3.812 -0.358 1.00 0.00 C ATOM 1003 O PHE A 68 9.463 3.483 -1.173 1.00 0.00 O ATOM 1004 CB PHE A 68 10.225 2.378 1.690 1.00 0.00 C ATOM 1005 CG PHE A 68 10.610 1.055 2.288 1.00 0.00 C ATOM 1006 CD1 PHE A 68 10.534 -0.108 1.537 1.00 0.00 C ATOM 1007 CD2 PHE A 68 11.047 0.973 3.600 1.00 0.00 C ATOM 1008 CE1 PHE A 68 10.886 -1.327 2.086 1.00 0.00 C ATOM 1009 CE2 PHE A 68 11.402 -0.243 4.153 1.00 0.00 C ATOM 1010 CZ PHE A 68 11.322 -1.394 3.395 1.00 0.00 C ATOM 0 H PHE A 68 12.523 3.246 1.891 1.00 0.00 H new ATOM 0 HA PHE A 68 11.213 1.877 -0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.327 3.154 2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.173 2.347 1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.196 -0.061 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.111 1.870 4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.820 -2.226 1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.742 -0.293 5.177 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.600 -2.345 3.825 1.00 0.00 H new ATOM 1020 N GLN A 69 10.670 5.076 -0.140 1.00 0.00 N ATOM 1021 CA GLN A 69 10.040 6.176 -0.862 1.00 0.00 C ATOM 1022 C GLN A 69 10.289 6.055 -2.362 1.00 0.00 C ATOM 1023 O GLN A 69 9.362 6.159 -3.165 1.00 0.00 O ATOM 1024 CB GLN A 69 10.568 7.518 -0.352 1.00 0.00 C ATOM 1025 CG GLN A 69 9.753 8.096 0.794 1.00 0.00 C ATOM 1026 CD GLN A 69 9.844 9.608 0.869 1.00 0.00 C ATOM 1027 OE1 GLN A 69 9.147 10.319 0.145 1.00 0.00 O ATOM 1028 NE2 GLN A 69 10.705 10.107 1.747 1.00 0.00 N ATOM 0 H GLN A 69 11.383 5.364 0.530 1.00 0.00 H new ATOM 0 HA GLN A 69 8.966 6.126 -0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.600 7.393 -0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.578 8.232 -1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.709 7.804 0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.100 7.668 1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.263 9.480 2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.809 11.117 1.842 1.00 0.00 H new ATOM 1037 N ASP A 70 11.545 5.835 -2.732 1.00 0.00 N ATOM 1038 CA ASP A 70 11.916 5.699 -4.136 1.00 0.00 C ATOM 1039 C ASP A 70 11.270 4.461 -4.751 1.00 0.00 C ATOM 1040 O ASP A 70 10.546 4.555 -5.742 1.00 0.00 O ATOM 1041 CB ASP A 70 13.437 5.620 -4.279 1.00 0.00 C ATOM 1042 CG ASP A 70 13.880 5.549 -5.727 1.00 0.00 C ATOM 1043 OD1 ASP A 70 13.141 6.055 -6.599 1.00 0.00 O ATOM 1044 OD2 ASP A 70 14.965 4.990 -5.988 1.00 0.00 O ATOM 0 H ASP A 70 12.324 5.747 -2.080 1.00 0.00 H new ATOM 0 HA ASP A 70 11.554 6.579 -4.669 1.00 0.00 H new ATOM 0 HB2 ASP A 70 13.889 6.492 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.804 4.743 -3.747 1.00 0.00 H new ATOM 1049 N ALA A 71 11.538 3.303 -4.158 1.00 0.00 N ATOM 1050 CA ALA A 71 10.982 2.047 -4.646 1.00 0.00 C ATOM 1051 C ALA A 71 9.518 2.211 -5.039 1.00 0.00 C ATOM 1052 O ALA A 71 9.115 1.843 -6.143 1.00 0.00 O ATOM 1053 CB ALA A 71 11.130 0.959 -3.594 1.00 0.00 C ATOM 0 H ALA A 71 12.137 3.208 -3.338 1.00 0.00 H new ATOM 0 HA ALA A 71 11.539 1.753 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.710 0.027 -3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.186 0.815 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.600 1.254 -2.688 1.00 0.00 H new ATOM 1059 N LEU A 72 8.725 2.764 -4.128 1.00 0.00 N ATOM 1060 CA LEU A 72 7.303 2.976 -4.378 1.00 0.00 C ATOM 1061 C LEU A 72 7.091 3.822 -5.629 1.00 0.00 C ATOM 1062 O LEU A 72 6.321 3.454 -6.517 1.00 0.00 O ATOM 1063 CB LEU A 72 6.648 3.654 -3.173 1.00 0.00 C ATOM 1064 CG LEU A 72 6.352 2.751 -1.975 1.00 0.00 C ATOM 1065 CD1 LEU A 72 6.141 3.584 -0.719 1.00 0.00 C ATOM 1066 CD2 LEU A 72 5.135 1.881 -2.250 1.00 0.00 C ATOM 0 H LEU A 72 9.042 3.074 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 72 6.838 2.003 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.296 4.465 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.713 4.108 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 72 7.211 2.099 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.931 2.925 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.040 4.164 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.300 4.261 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.940 1.245 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.269 2.516 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.323 1.258 -3.124 1.00 0.00 H new ATOM 1078 N TYR A 73 7.780 4.955 -5.695 1.00 0.00 N ATOM 1079 CA TYR A 73 7.667 5.854 -6.837 1.00 0.00 C ATOM 1080 C TYR A 73 7.790 5.085 -8.149 1.00 0.00 C ATOM 1081 O TYR A 73 7.229 5.482 -9.171 1.00 0.00 O ATOM 1082 CB TYR A 73 8.742 6.940 -6.767 1.00 0.00 C ATOM 1083 CG TYR A 73 8.944 7.677 -8.071 1.00 0.00 C ATOM 1084 CD1 TYR A 73 9.738 7.142 -9.079 1.00 0.00 C ATOM 1085 CD2 TYR A 73 8.343 8.909 -8.296 1.00 0.00 C ATOM 1086 CE1 TYR A 73 9.926 7.812 -10.272 1.00 0.00 C ATOM 1087 CE2 TYR A 73 8.525 9.586 -9.487 1.00 0.00 C ATOM 1088 CZ TYR A 73 9.317 9.033 -10.472 1.00 0.00 C ATOM 1089 OH TYR A 73 9.502 9.705 -11.658 1.00 0.00 O ATOM 0 H TYR A 73 8.423 5.273 -4.970 1.00 0.00 H new ATOM 0 HA TYR A 73 6.684 6.323 -6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.472 7.657 -5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.686 6.486 -6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.216 6.186 -8.927 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.723 9.345 -7.527 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.547 7.382 -11.044 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.050 10.543 -9.646 1.00 0.00 H new ATOM 0 HH TYR A 73 9.003 10.548 -11.637 1.00 0.00 H new ATOM 1099 N LYS A 74 8.529 3.981 -8.113 1.00 0.00 N ATOM 1100 CA LYS A 74 8.726 3.153 -9.297 1.00 0.00 C ATOM 1101 C LYS A 74 7.514 2.262 -9.546 1.00 0.00 C ATOM 1102 O LYS A 74 7.042 2.141 -10.676 1.00 0.00 O ATOM 1103 CB LYS A 74 9.982 2.293 -9.139 1.00 0.00 C ATOM 1104 CG LYS A 74 11.260 3.101 -9.000 1.00 0.00 C ATOM 1105 CD LYS A 74 12.392 2.261 -8.432 1.00 0.00 C ATOM 1106 CE LYS A 74 13.729 2.976 -8.550 1.00 0.00 C ATOM 1107 NZ LYS A 74 14.864 2.100 -8.147 1.00 0.00 N ATOM 0 H LYS A 74 9.001 3.639 -7.276 1.00 0.00 H new ATOM 0 HA LYS A 74 8.851 3.813 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.868 1.656 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.071 1.634 -10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.551 3.494 -9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.081 3.958 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.190 2.036 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.440 1.308 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.874 3.308 -9.578 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.720 3.869 -7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.757 2.624 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.739 1.803 -7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.889 1.260 -8.760 1.00 0.00 H new ATOM 1121 N MET A 75 7.014 1.641 -8.483 1.00 0.00 N ATOM 1122 CA MET A 75 5.854 0.763 -8.586 1.00 0.00 C ATOM 1123 C MET A 75 4.587 1.565 -8.865 1.00 0.00 C ATOM 1124 O MET A 75 3.622 1.047 -9.427 1.00 0.00 O ATOM 1125 CB MET A 75 5.685 -0.048 -7.300 1.00 0.00 C ATOM 1126 CG MET A 75 6.950 -0.772 -6.868 1.00 0.00 C ATOM 1127 SD MET A 75 6.605 -2.275 -5.932 1.00 0.00 S ATOM 1128 CE MET A 75 5.531 -1.635 -4.649 1.00 0.00 C ATOM 0 H MET A 75 7.394 1.729 -7.540 1.00 0.00 H new ATOM 0 HA MET A 75 6.021 0.080 -9.419 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.366 0.619 -6.499 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.889 -0.779 -7.443 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.538 -1.025 -7.750 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.558 -0.102 -6.260 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.432 -2.375 -3.855 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.958 -0.719 -4.240 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.549 -1.421 -5.070 1.00 0.00 H new ATOM 1138 N THR A 76 4.597 2.834 -8.468 1.00 0.00 N ATOM 1139 CA THR A 76 3.449 3.708 -8.674 1.00 0.00 C ATOM 1140 C THR A 76 3.646 4.596 -9.897 1.00 0.00 C ATOM 1141 O THR A 76 2.708 4.845 -10.654 1.00 0.00 O ATOM 1142 CB THR A 76 3.192 4.598 -7.444 1.00 0.00 C ATOM 1143 OG1 THR A 76 4.220 5.589 -7.333 1.00 0.00 O ATOM 1144 CG2 THR A 76 3.146 3.764 -6.173 1.00 0.00 C ATOM 0 H THR A 76 5.388 3.279 -8.002 1.00 0.00 H new ATOM 0 HA THR A 76 2.585 3.062 -8.833 1.00 0.00 H new ATOM 0 HB THR A 76 2.227 5.089 -7.573 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.812 6.477 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.963 4.414 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.344 3.030 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.098 3.249 -6.041 1.00 0.00 H new ATOM 1152 N GLY A 77 4.873 5.072 -10.086 1.00 0.00 N ATOM 1153 CA GLY A 77 5.171 5.928 -11.220 1.00 0.00 C ATOM 1154 C GLY A 77 5.383 7.373 -10.816 1.00 0.00 C ATOM 1155 O GLY A 77 6.200 8.076 -11.409 1.00 0.00 O ATOM 0 H GLY A 77 5.666 4.880 -9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.065 5.560 -11.724 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.354 5.871 -11.939 1.00 0.00 H new ATOM 1159 N GLU A 78 4.644 7.818 -9.804 1.00 0.00 N ATOM 1160 CA GLU A 78 4.754 9.190 -9.324 1.00 0.00 C ATOM 1161 C GLU A 78 5.098 9.221 -7.838 1.00 0.00 C ATOM 1162 O GLU A 78 4.795 8.283 -7.100 1.00 0.00 O ATOM 1163 CB GLU A 78 3.447 9.947 -9.571 1.00 0.00 C ATOM 1164 CG GLU A 78 3.640 11.438 -9.793 1.00 0.00 C ATOM 1165 CD GLU A 78 4.163 11.759 -11.180 1.00 0.00 C ATOM 1166 OE1 GLU A 78 5.385 11.621 -11.399 1.00 0.00 O ATOM 1167 OE2 GLU A 78 3.351 12.148 -12.045 1.00 0.00 O ATOM 0 H GLU A 78 3.963 7.248 -9.301 1.00 0.00 H new ATOM 0 HA GLU A 78 5.558 9.677 -9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.949 9.520 -10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.784 9.798 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.690 11.950 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.335 11.825 -9.048 1.00 0.00 H new ATOM 1174 N ARG A 79 5.734 10.305 -7.406 1.00 0.00 N ATOM 1175 CA ARG A 79 6.122 10.458 -6.009 1.00 0.00 C ATOM 1176 C ARG A 79 4.971 11.026 -5.184 1.00 0.00 C ATOM 1177 O ARG A 79 5.172 11.524 -4.076 1.00 0.00 O ATOM 1178 CB ARG A 79 7.345 11.370 -5.893 1.00 0.00 C ATOM 1179 CG ARG A 79 7.159 12.725 -6.556 1.00 0.00 C ATOM 1180 CD ARG A 79 6.745 13.786 -5.548 1.00 0.00 C ATOM 1181 NE ARG A 79 7.898 14.489 -4.990 1.00 0.00 N ATOM 1182 CZ ARG A 79 7.836 15.259 -3.910 1.00 0.00 C ATOM 1183 NH1 ARG A 79 6.684 15.425 -3.275 1.00 0.00 N ATOM 1184 NH2 ARG A 79 8.928 15.866 -3.462 1.00 0.00 N ATOM 0 H ARG A 79 5.992 11.090 -8.004 1.00 0.00 H new ATOM 0 HA ARG A 79 6.375 9.472 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.577 11.520 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.204 10.871 -6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.088 13.025 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.402 12.648 -7.337 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.081 14.504 -6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.180 13.319 -4.741 1.00 0.00 H new ATOM 0 HE ARG A 79 8.799 14.382 -5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.842 14.961 -3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.640 16.017 -2.446 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.816 15.741 -3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.879 16.457 -2.632 1.00 0.00 H new ATOM 1198 N THR A 80 3.762 10.947 -5.732 1.00 0.00 N ATOM 1199 CA THR A 80 2.579 11.455 -5.048 1.00 0.00 C ATOM 1200 C THR A 80 2.307 10.675 -3.767 1.00 0.00 C ATOM 1201 O THR A 80 2.758 9.540 -3.612 1.00 0.00 O ATOM 1202 CB THR A 80 1.334 11.384 -5.953 1.00 0.00 C ATOM 1203 OG1 THR A 80 1.060 10.023 -6.303 1.00 0.00 O ATOM 1204 CG2 THR A 80 1.536 12.207 -7.216 1.00 0.00 C ATOM 0 H THR A 80 3.577 10.536 -6.647 1.00 0.00 H new ATOM 0 HA THR A 80 2.780 12.497 -4.800 1.00 0.00 H new ATOM 0 HB THR A 80 0.488 11.794 -5.402 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.371 9.997 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.644 12.142 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.715 13.248 -6.947 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.393 11.822 -7.768 1.00 0.00 H new ATOM 1212 N VAL A 81 1.565 11.290 -2.851 1.00 0.00 N ATOM 1213 CA VAL A 81 1.232 10.652 -1.584 1.00 0.00 C ATOM 1214 C VAL A 81 -0.054 11.228 -1.000 1.00 0.00 C ATOM 1215 O VAL A 81 -0.473 12.337 -1.332 1.00 0.00 O ATOM 1216 CB VAL A 81 2.367 10.817 -0.556 1.00 0.00 C ATOM 1217 CG1 VAL A 81 3.350 9.660 -0.657 1.00 0.00 C ATOM 1218 CG2 VAL A 81 3.075 12.148 -0.754 1.00 0.00 C ATOM 0 H VAL A 81 1.183 12.229 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 81 1.091 9.591 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 81 1.933 10.808 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.145 9.793 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.830 8.722 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.780 9.635 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.874 12.248 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.498 12.189 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.361 12.962 -0.627 1.00 0.00 H new ATOM 1228 N PRO A 82 -0.696 10.458 -0.110 1.00 0.00 N ATOM 1229 CA PRO A 82 -0.207 9.135 0.292 1.00 0.00 C ATOM 1230 C PRO A 82 -0.326 8.108 -0.829 1.00 0.00 C ATOM 1231 O PRO A 82 -0.759 8.430 -1.935 1.00 0.00 O ATOM 1232 CB PRO A 82 -1.121 8.759 1.461 1.00 0.00 C ATOM 1233 CG PRO A 82 -2.373 9.532 1.227 1.00 0.00 C ATOM 1234 CD PRO A 82 -1.950 10.818 0.574 1.00 0.00 C ATOM 0 HA PRO A 82 0.852 9.153 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.316 7.687 1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.668 9.020 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.060 8.978 0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.894 9.724 2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.702 11.178 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.795 11.609 1.308 1.00 0.00 H new ATOM 1242 N ARG A 83 0.060 6.871 -0.534 1.00 0.00 N ATOM 1243 CA ARG A 83 -0.003 5.797 -1.518 1.00 0.00 C ATOM 1244 C ARG A 83 -0.892 4.659 -1.024 1.00 0.00 C ATOM 1245 O ARG A 83 -0.556 3.969 -0.062 1.00 0.00 O ATOM 1246 CB ARG A 83 1.401 5.268 -1.818 1.00 0.00 C ATOM 1247 CG ARG A 83 2.403 6.359 -2.159 1.00 0.00 C ATOM 1248 CD ARG A 83 2.309 6.764 -3.622 1.00 0.00 C ATOM 1249 NE ARG A 83 1.075 7.490 -3.911 1.00 0.00 N ATOM 1250 CZ ARG A 83 0.558 7.603 -5.129 1.00 0.00 C ATOM 1251 NH1 ARG A 83 1.163 7.040 -6.165 1.00 0.00 N ATOM 1252 NH2 ARG A 83 -0.569 8.280 -5.312 1.00 0.00 N ATOM 0 H ARG A 83 0.419 6.588 0.378 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.435 6.202 -2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.763 4.712 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.345 4.565 -2.649 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.224 7.229 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.412 6.009 -1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.165 7.387 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.361 5.874 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 83 0.584 7.934 -3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.028 6.518 -6.028 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.763 7.129 -7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.038 8.714 -4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.966 8.367 -6.248 1.00 0.00 H new ATOM 1266 N ILE A 84 -2.027 4.470 -1.689 1.00 0.00 N ATOM 1267 CA ILE A 84 -2.963 3.417 -1.318 1.00 0.00 C ATOM 1268 C ILE A 84 -2.827 2.211 -2.242 1.00 0.00 C ATOM 1269 O ILE A 84 -2.718 2.357 -3.460 1.00 0.00 O ATOM 1270 CB ILE A 84 -4.419 3.918 -1.357 1.00 0.00 C ATOM 1271 CG1 ILE A 84 -4.609 5.076 -0.376 1.00 0.00 C ATOM 1272 CG2 ILE A 84 -5.379 2.782 -1.036 1.00 0.00 C ATOM 1273 CD1 ILE A 84 -4.369 6.436 -0.993 1.00 0.00 C ATOM 0 H ILE A 84 -2.320 5.033 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.717 3.121 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.637 4.279 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.623 5.041 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.930 4.943 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.404 3.152 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.258 1.985 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.164 2.394 -0.040 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.522 7.209 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.347 6.491 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.066 6.590 -1.817 1.00 0.00 H new ATOM 1285 N PHE A 85 -2.837 1.019 -1.655 1.00 0.00 N ATOM 1286 CA PHE A 85 -2.716 -0.214 -2.425 1.00 0.00 C ATOM 1287 C PHE A 85 -3.726 -1.254 -1.949 1.00 0.00 C ATOM 1288 O PHE A 85 -3.695 -1.684 -0.796 1.00 0.00 O ATOM 1289 CB PHE A 85 -1.297 -0.775 -2.310 1.00 0.00 C ATOM 1290 CG PHE A 85 -0.310 -0.099 -3.218 1.00 0.00 C ATOM 1291 CD1 PHE A 85 0.021 1.234 -3.035 1.00 0.00 C ATOM 1292 CD2 PHE A 85 0.288 -0.798 -4.255 1.00 0.00 C ATOM 1293 CE1 PHE A 85 0.928 1.857 -3.870 1.00 0.00 C ATOM 1294 CE2 PHE A 85 1.196 -0.179 -5.094 1.00 0.00 C ATOM 1295 CZ PHE A 85 1.517 1.150 -4.900 1.00 0.00 C ATOM 0 H PHE A 85 -2.928 0.880 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.924 0.018 -3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.958 -0.675 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.317 -1.841 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.435 1.792 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.042 -1.838 -4.409 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.177 2.897 -3.717 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.653 -0.734 -5.900 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.227 1.636 -5.553 1.00 0.00 H new ATOM 1305 N VAL A 86 -4.623 -1.653 -2.846 1.00 0.00 N ATOM 1306 CA VAL A 86 -5.643 -2.642 -2.519 1.00 0.00 C ATOM 1307 C VAL A 86 -5.245 -4.026 -3.020 1.00 0.00 C ATOM 1308 O VAL A 86 -5.027 -4.227 -4.214 1.00 0.00 O ATOM 1309 CB VAL A 86 -7.007 -2.262 -3.124 1.00 0.00 C ATOM 1310 CG1 VAL A 86 -8.038 -3.344 -2.839 1.00 0.00 C ATOM 1311 CG2 VAL A 86 -7.472 -0.917 -2.586 1.00 0.00 C ATOM 0 H VAL A 86 -4.664 -1.306 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.729 -2.662 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.894 -2.176 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.996 -3.058 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.707 -4.286 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.151 -3.464 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.437 -0.664 -3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.569 -0.973 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.743 -0.149 -2.846 1.00 0.00 H new ATOM 1321 N ASN A 87 -5.154 -4.979 -2.097 1.00 0.00 N ATOM 1322 CA ASN A 87 -4.783 -6.346 -2.445 1.00 0.00 C ATOM 1323 C ASN A 87 -3.542 -6.364 -3.333 1.00 0.00 C ATOM 1324 O ASN A 87 -3.457 -7.142 -4.282 1.00 0.00 O ATOM 1325 CB ASN A 87 -5.943 -7.046 -3.156 1.00 0.00 C ATOM 1326 CG ASN A 87 -5.914 -8.551 -2.964 1.00 0.00 C ATOM 1327 OD1 ASN A 87 -4.857 -9.139 -2.739 1.00 0.00 O ATOM 1328 ND2 ASN A 87 -7.080 -9.180 -3.053 1.00 0.00 N ATOM 0 H ASN A 87 -5.332 -4.830 -1.104 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.555 -6.880 -1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.887 -6.652 -2.780 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.904 -6.817 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.124 -10.192 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.932 -8.651 -3.241 1.00 0.00 H new ATOM 1335 N GLY A 88 -2.582 -5.500 -3.016 1.00 0.00 N ATOM 1336 CA GLY A 88 -1.359 -5.434 -3.794 1.00 0.00 C ATOM 1337 C GLY A 88 -1.585 -4.871 -5.183 1.00 0.00 C ATOM 1338 O GLY A 88 -0.959 -5.309 -6.149 1.00 0.00 O ATOM 0 H GLY A 88 -2.630 -4.845 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.631 -4.816 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.930 -6.433 -3.876 1.00 0.00 H new ATOM 1342 N THR A 89 -2.485 -3.897 -5.286 1.00 0.00 N ATOM 1343 CA THR A 89 -2.794 -3.276 -6.568 1.00 0.00 C ATOM 1344 C THR A 89 -3.080 -1.788 -6.402 1.00 0.00 C ATOM 1345 O THR A 89 -3.930 -1.393 -5.603 1.00 0.00 O ATOM 1346 CB THR A 89 -4.007 -3.948 -7.239 1.00 0.00 C ATOM 1347 OG1 THR A 89 -3.682 -5.295 -7.601 1.00 0.00 O ATOM 1348 CG2 THR A 89 -4.437 -3.175 -8.477 1.00 0.00 C ATOM 0 H THR A 89 -3.012 -3.522 -4.497 1.00 0.00 H new ATOM 0 HA THR A 89 -1.918 -3.407 -7.203 1.00 0.00 H new ATOM 0 HB THR A 89 -4.833 -3.952 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.458 -5.716 -8.025 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.295 -3.668 -8.934 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.711 -2.158 -8.194 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.614 -3.144 -9.191 1.00 0.00 H new ATOM 1356 N PHE A 90 -2.365 -0.964 -7.162 1.00 0.00 N ATOM 1357 CA PHE A 90 -2.542 0.482 -7.099 1.00 0.00 C ATOM 1358 C PHE A 90 -3.835 0.902 -7.792 1.00 0.00 C ATOM 1359 O PHE A 90 -3.967 0.779 -9.010 1.00 0.00 O ATOM 1360 CB PHE A 90 -1.350 1.191 -7.745 1.00 0.00 C ATOM 1361 CG PHE A 90 -1.396 2.686 -7.607 1.00 0.00 C ATOM 1362 CD1 PHE A 90 -2.172 3.451 -8.463 1.00 0.00 C ATOM 1363 CD2 PHE A 90 -0.663 3.327 -6.620 1.00 0.00 C ATOM 1364 CE1 PHE A 90 -2.215 4.827 -8.338 1.00 0.00 C ATOM 1365 CE2 PHE A 90 -0.703 4.702 -6.491 1.00 0.00 C ATOM 1366 CZ PHE A 90 -1.480 5.453 -7.350 1.00 0.00 C ATOM 0 H PHE A 90 -1.658 -1.273 -7.829 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.603 0.771 -6.050 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.429 0.821 -7.294 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.313 0.933 -8.803 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.750 2.967 -9.236 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.054 2.745 -5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.823 5.412 -9.012 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.127 5.189 -5.718 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.513 6.528 -7.250 1.00 0.00 H new ATOM 1376 N ILE A 91 -4.786 1.398 -7.007 1.00 0.00 N ATOM 1377 CA ILE A 91 -6.067 1.837 -7.545 1.00 0.00 C ATOM 1378 C ILE A 91 -6.132 3.358 -7.640 1.00 0.00 C ATOM 1379 O ILE A 91 -6.817 3.908 -8.500 1.00 0.00 O ATOM 1380 CB ILE A 91 -7.241 1.338 -6.681 1.00 0.00 C ATOM 1381 CG1 ILE A 91 -7.309 2.125 -5.371 1.00 0.00 C ATOM 1382 CG2 ILE A 91 -7.098 -0.151 -6.404 1.00 0.00 C ATOM 1383 CD1 ILE A 91 -6.193 1.792 -4.407 1.00 0.00 C ATOM 0 H ILE A 91 -4.693 1.506 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.153 1.409 -8.544 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.170 1.499 -7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.278 3.191 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.266 1.928 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.935 -0.489 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.093 -0.698 -7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.164 -0.334 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.305 2.387 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.236 0.733 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.232 2.015 -4.871 1.00 0.00 H new ATOM 1395 N GLY A 92 -5.411 4.032 -6.749 1.00 0.00 N ATOM 1396 CA GLY A 92 -5.399 5.483 -6.750 1.00 0.00 C ATOM 1397 C GLY A 92 -4.875 6.060 -5.449 1.00 0.00 C ATOM 1398 O GLY A 92 -4.738 5.347 -4.457 1.00 0.00 O ATOM 0 H GLY A 92 -4.835 3.599 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.782 5.838 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.410 5.851 -6.926 1.00 0.00 H new ATOM 1402 N GLY A 93 -4.580 7.356 -5.455 1.00 0.00 N ATOM 1403 CA GLY A 93 -4.070 8.006 -4.262 1.00 0.00 C ATOM 1404 C GLY A 93 -5.172 8.392 -3.295 1.00 0.00 C ATOM 1405 O GLY A 93 -6.257 7.813 -3.318 1.00 0.00 O ATOM 0 H GLY A 93 -4.685 7.967 -6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.368 7.339 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.513 8.898 -4.548 1.00 0.00 H new ATOM 1409 N ALA A 94 -4.892 9.372 -2.443 1.00 0.00 N ATOM 1410 CA ALA A 94 -5.869 9.835 -1.464 1.00 0.00 C ATOM 1411 C ALA A 94 -7.198 10.172 -2.132 1.00 0.00 C ATOM 1412 O ALA A 94 -8.237 9.605 -1.793 1.00 0.00 O ATOM 1413 CB ALA A 94 -5.331 11.045 -0.714 1.00 0.00 C ATOM 0 H ALA A 94 -3.997 9.861 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.044 9.028 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.070 11.380 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.411 10.773 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.126 11.849 -1.420 1.00 0.00 H new ATOM 1419 N THR A 95 -7.158 11.100 -3.083 1.00 0.00 N ATOM 1420 CA THR A 95 -8.360 11.514 -3.797 1.00 0.00 C ATOM 1421 C THR A 95 -9.012 10.333 -4.507 1.00 0.00 C ATOM 1422 O THR A 95 -10.073 9.861 -4.099 1.00 0.00 O ATOM 1423 CB THR A 95 -8.048 12.612 -4.832 1.00 0.00 C ATOM 1424 OG1 THR A 95 -7.234 13.629 -4.237 1.00 0.00 O ATOM 1425 CG2 THR A 95 -9.330 13.230 -5.368 1.00 0.00 C ATOM 0 H THR A 95 -6.307 11.579 -3.377 1.00 0.00 H new ATOM 0 HA THR A 95 -9.049 11.912 -3.052 1.00 0.00 H new ATOM 0 HB THR A 95 -7.509 12.156 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.560 13.822 -3.333 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.085 14.002 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.934 12.459 -5.846 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.892 13.673 -4.546 1.00 0.00 H new ATOM 1433 N ASP A 96 -8.371 9.860 -5.570 1.00 0.00 N ATOM 1434 CA ASP A 96 -8.888 8.732 -6.336 1.00 0.00 C ATOM 1435 C ASP A 96 -9.514 7.690 -5.413 1.00 0.00 C ATOM 1436 O ASP A 96 -10.706 7.398 -5.507 1.00 0.00 O ATOM 1437 CB ASP A 96 -7.771 8.094 -7.163 1.00 0.00 C ATOM 1438 CG ASP A 96 -7.437 8.899 -8.403 1.00 0.00 C ATOM 1439 OD1 ASP A 96 -7.492 10.145 -8.335 1.00 0.00 O ATOM 1440 OD2 ASP A 96 -7.122 8.283 -9.444 1.00 0.00 O ATOM 0 H ASP A 96 -7.492 10.240 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.659 9.105 -7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.878 7.995 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.069 7.088 -7.456 1.00 0.00 H new ATOM 1445 N THR A 97 -8.700 7.132 -4.522 1.00 0.00 N ATOM 1446 CA THR A 97 -9.173 6.121 -3.584 1.00 0.00 C ATOM 1447 C THR A 97 -10.544 6.486 -3.028 1.00 0.00 C ATOM 1448 O THR A 97 -11.460 5.662 -3.018 1.00 0.00 O ATOM 1449 CB THR A 97 -8.189 5.938 -2.414 1.00 0.00 C ATOM 1450 OG1 THR A 97 -6.934 5.448 -2.900 1.00 0.00 O ATOM 1451 CG2 THR A 97 -8.750 4.971 -1.382 1.00 0.00 C ATOM 0 H THR A 97 -7.711 7.363 -4.430 1.00 0.00 H new ATOM 0 HA THR A 97 -9.246 5.185 -4.138 1.00 0.00 H new ATOM 0 HB THR A 97 -8.040 6.908 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.497 6.143 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.038 4.857 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.690 5.360 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.924 4.002 -1.849 1.00 0.00 H new ATOM 1459 N HIS A 98 -10.680 7.725 -2.566 1.00 0.00 N ATOM 1460 CA HIS A 98 -11.942 8.198 -2.009 1.00 0.00 C ATOM 1461 C HIS A 98 -13.075 8.043 -3.019 1.00 0.00 C ATOM 1462 O HIS A 98 -14.105 7.438 -2.723 1.00 0.00 O ATOM 1463 CB HIS A 98 -11.819 9.662 -1.584 1.00 0.00 C ATOM 1464 CG HIS A 98 -13.081 10.227 -1.010 1.00 0.00 C ATOM 1465 ND1 HIS A 98 -14.063 9.447 -0.435 1.00 0.00 N ATOM 1466 CD2 HIS A 98 -13.520 11.505 -0.922 1.00 0.00 C ATOM 1467 CE1 HIS A 98 -15.050 10.220 -0.021 1.00 0.00 C ATOM 1468 NE2 HIS A 98 -14.745 11.474 -0.304 1.00 0.00 N ATOM 0 H HIS A 98 -9.932 8.419 -2.566 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.174 7.591 -1.134 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -11.022 9.752 -0.846 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -11.523 10.259 -2.447 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -13.002 12.385 -1.273 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.953 9.884 0.466 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -15.325 12.287 -0.097 1.00 0.00 H new ATOM 1476 N ARG A 99 -12.876 8.594 -4.212 1.00 0.00 N ATOM 1477 CA ARG A 99 -13.881 8.518 -5.266 1.00 0.00 C ATOM 1478 C ARG A 99 -14.324 7.075 -5.492 1.00 0.00 C ATOM 1479 O ARG A 99 -15.516 6.767 -5.458 1.00 0.00 O ATOM 1480 CB ARG A 99 -13.332 9.105 -6.567 1.00 0.00 C ATOM 1481 CG ARG A 99 -14.412 9.488 -7.566 1.00 0.00 C ATOM 1482 CD ARG A 99 -13.882 9.479 -8.991 1.00 0.00 C ATOM 1483 NE ARG A 99 -14.772 10.182 -9.911 1.00 0.00 N ATOM 1484 CZ ARG A 99 -14.496 10.378 -11.195 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.360 9.925 -11.709 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -15.357 11.027 -11.969 1.00 0.00 N ATOM 0 H ARG A 99 -12.028 9.098 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.747 9.100 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.735 9.987 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.662 8.379 -7.029 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.248 8.794 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.796 10.479 -7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.896 9.944 -9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.756 8.449 -9.324 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.654 10.542 -9.547 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.696 9.425 -11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.150 10.077 -12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.232 11.376 -11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.144 11.177 -12.955 1.00 0.00 H new ATOM 1500 N LEU A 100 -13.356 6.195 -5.724 1.00 0.00 N ATOM 1501 CA LEU A 100 -13.645 4.784 -5.957 1.00 0.00 C ATOM 1502 C LEU A 100 -14.745 4.292 -5.021 1.00 0.00 C ATOM 1503 O LEU A 100 -15.787 3.811 -5.469 1.00 0.00 O ATOM 1504 CB LEU A 100 -12.381 3.945 -5.762 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.215 4.261 -6.699 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -10.022 3.372 -6.385 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.638 4.095 -8.151 1.00 0.00 C ATOM 0 H LEU A 100 -12.365 6.433 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.991 4.674 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.040 4.072 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.644 2.894 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.920 5.299 -6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.202 3.611 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.704 3.540 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.304 2.327 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.796 4.324 -8.804 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.960 3.068 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.462 4.774 -8.370 1.00 0.00 H new ATOM 1519 N HIS A 101 -14.508 4.417 -3.720 1.00 0.00 N ATOM 1520 CA HIS A 101 -15.480 3.988 -2.720 1.00 0.00 C ATOM 1521 C HIS A 101 -16.854 4.587 -3.006 1.00 0.00 C ATOM 1522 O HIS A 101 -17.865 3.885 -2.986 1.00 0.00 O ATOM 1523 CB HIS A 101 -15.016 4.391 -1.320 1.00 0.00 C ATOM 1524 CG HIS A 101 -15.867 3.831 -0.223 1.00 0.00 C ATOM 1525 ND1 HIS A 101 -16.178 2.492 -0.121 1.00 0.00 N ATOM 1526 CD2 HIS A 101 -16.472 4.437 0.825 1.00 0.00 C ATOM 1527 CE1 HIS A 101 -16.939 2.298 0.942 1.00 0.00 C ATOM 1528 NE2 HIS A 101 -17.132 3.463 1.534 1.00 0.00 N ATOM 0 H HIS A 101 -13.651 4.812 -3.333 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.559 2.902 -2.769 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -13.988 4.058 -1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -15.012 5.479 -1.246 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -15.869 1.764 -0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -16.442 5.491 1.060 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -17.336 1.349 1.271 1.00 0.00 H new ATOM 1536 N LYS A 102 -16.883 5.888 -3.272 1.00 0.00 N ATOM 1537 CA LYS A 102 -18.132 6.582 -3.563 1.00 0.00 C ATOM 1538 C LYS A 102 -18.910 5.865 -4.661 1.00 0.00 C ATOM 1539 O LYS A 102 -20.003 5.352 -4.425 1.00 0.00 O ATOM 1540 CB LYS A 102 -17.850 8.027 -3.983 1.00 0.00 C ATOM 1541 CG LYS A 102 -17.082 8.824 -2.943 1.00 0.00 C ATOM 1542 CD LYS A 102 -17.410 10.305 -3.021 1.00 0.00 C ATOM 1543 CE LYS A 102 -16.634 10.990 -4.136 1.00 0.00 C ATOM 1544 NZ LYS A 102 -15.300 11.463 -3.673 1.00 0.00 N ATOM 0 H LYS A 102 -16.055 6.484 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 102 -18.737 6.585 -2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.285 8.022 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.796 8.528 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.321 8.450 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.012 8.679 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.479 10.434 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.177 10.781 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -16.505 10.297 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.209 11.836 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.802 11.924 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.423 12.143 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.741 10.652 -3.338 1.00 0.00 H new ATOM 1558 N GLU A 103 -18.338 5.832 -5.861 1.00 0.00 N ATOM 1559 CA GLU A 103 -18.980 5.176 -6.994 1.00 0.00 C ATOM 1560 C GLU A 103 -19.195 3.692 -6.714 1.00 0.00 C ATOM 1561 O GLU A 103 -20.129 3.080 -7.231 1.00 0.00 O ATOM 1562 CB GLU A 103 -18.135 5.351 -8.258 1.00 0.00 C ATOM 1563 CG GLU A 103 -18.281 6.718 -8.904 1.00 0.00 C ATOM 1564 CD GLU A 103 -19.395 6.760 -9.933 1.00 0.00 C ATOM 1565 OE1 GLU A 103 -20.481 6.210 -9.655 1.00 0.00 O ATOM 1566 OE2 GLU A 103 -19.180 7.344 -11.015 1.00 0.00 O ATOM 0 H GLU A 103 -17.433 6.251 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.953 5.643 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.087 5.186 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.415 4.585 -8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.476 7.462 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.340 6.993 -9.381 1.00 0.00 H new ATOM 1573 N GLY A 104 -18.322 3.119 -5.891 1.00 0.00 N ATOM 1574 CA GLY A 104 -18.433 1.711 -5.556 1.00 0.00 C ATOM 1575 C GLY A 104 -17.443 0.854 -6.320 1.00 0.00 C ATOM 1576 O GLY A 104 -17.824 -0.123 -6.965 1.00 0.00 O ATOM 0 H GLY A 104 -17.540 3.604 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.271 1.581 -4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.446 1.369 -5.769 1.00 0.00 H new ATOM 1580 N LYS A 105 -16.168 1.220 -6.249 1.00 0.00 N ATOM 1581 CA LYS A 105 -15.119 0.478 -6.939 1.00 0.00 C ATOM 1582 C LYS A 105 -14.011 0.075 -5.972 1.00 0.00 C ATOM 1583 O LYS A 105 -13.116 -0.696 -6.323 1.00 0.00 O ATOM 1584 CB LYS A 105 -14.536 1.319 -8.077 1.00 0.00 C ATOM 1585 CG LYS A 105 -15.574 1.782 -9.085 1.00 0.00 C ATOM 1586 CD LYS A 105 -15.064 2.948 -9.915 1.00 0.00 C ATOM 1587 CE LYS A 105 -16.167 3.544 -10.777 1.00 0.00 C ATOM 1588 NZ LYS A 105 -15.654 4.618 -11.671 1.00 0.00 N ATOM 0 H LYS A 105 -15.836 2.026 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 105 -15.562 -0.428 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.038 2.192 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.774 0.736 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.838 0.954 -9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.484 2.077 -8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.661 3.717 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.245 2.612 -10.551 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.622 2.757 -11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.950 3.949 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.436 4.998 -12.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.242 5.381 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.925 4.227 -12.301 1.00 0.00 H new ATOM 1602 N LEU A 106 -14.076 0.599 -4.753 1.00 0.00 N ATOM 1603 CA LEU A 106 -13.079 0.293 -3.734 1.00 0.00 C ATOM 1604 C LEU A 106 -13.544 -0.856 -2.844 1.00 0.00 C ATOM 1605 O LEU A 106 -12.856 -1.869 -2.709 1.00 0.00 O ATOM 1606 CB LEU A 106 -12.795 1.530 -2.881 1.00 0.00 C ATOM 1607 CG LEU A 106 -11.540 1.472 -2.010 1.00 0.00 C ATOM 1608 CD1 LEU A 106 -11.208 2.850 -1.458 1.00 0.00 C ATOM 1609 CD2 LEU A 106 -11.723 0.472 -0.877 1.00 0.00 C ATOM 0 H LEU A 106 -14.809 1.238 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.162 -0.011 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.714 2.392 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.654 1.705 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.707 1.141 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.312 2.788 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.033 3.540 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.041 3.210 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.820 0.444 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.569 0.773 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.911 -0.518 -1.292 1.00 0.00 H new ATOM 1621 N LEU A 107 -14.716 -0.693 -2.241 1.00 0.00 N ATOM 1622 CA LEU A 107 -15.276 -1.717 -1.366 1.00 0.00 C ATOM 1623 C LEU A 107 -15.315 -3.071 -2.068 1.00 0.00 C ATOM 1624 O LEU A 107 -14.954 -4.102 -1.501 1.00 0.00 O ATOM 1625 CB LEU A 107 -16.684 -1.321 -0.920 1.00 0.00 C ATOM 1626 CG LEU A 107 -17.129 -1.848 0.445 1.00 0.00 C ATOM 1627 CD1 LEU A 107 -17.667 -3.265 0.320 1.00 0.00 C ATOM 1628 CD2 LEU A 107 -15.977 -1.798 1.437 1.00 0.00 C ATOM 0 H LEU A 107 -15.297 0.139 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.634 -1.801 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.746 -0.233 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.393 -1.670 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.930 -1.209 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.979 -3.624 1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.521 -3.271 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.887 -3.917 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.312 -2.177 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.155 -2.413 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.638 -0.768 1.549 1.00 0.00 H new ATOM 1640 N PRO A 108 -15.761 -3.069 -3.333 1.00 0.00 N ATOM 1641 CA PRO A 108 -15.854 -4.289 -4.140 1.00 0.00 C ATOM 1642 C PRO A 108 -14.580 -5.124 -4.080 1.00 0.00 C ATOM 1643 O PRO A 108 -14.627 -6.353 -4.136 1.00 0.00 O ATOM 1644 CB PRO A 108 -16.080 -3.759 -5.559 1.00 0.00 C ATOM 1645 CG PRO A 108 -16.720 -2.427 -5.368 1.00 0.00 C ATOM 1646 CD PRO A 108 -16.208 -1.877 -4.072 1.00 0.00 C ATOM 0 HA PRO A 108 -16.644 -4.952 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -15.140 -3.672 -6.104 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -16.721 -4.427 -6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -16.475 -1.759 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -17.806 -2.521 -5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -15.389 -1.176 -4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -16.987 -1.340 -3.530 1.00 0.00 H new ATOM 1654 N LEU A 109 -13.441 -4.449 -3.966 1.00 0.00 N ATOM 1655 CA LEU A 109 -12.152 -5.128 -3.898 1.00 0.00 C ATOM 1656 C LEU A 109 -11.798 -5.481 -2.457 1.00 0.00 C ATOM 1657 O LEU A 109 -11.236 -6.542 -2.186 1.00 0.00 O ATOM 1658 CB LEU A 109 -11.057 -4.248 -4.503 1.00 0.00 C ATOM 1659 CG LEU A 109 -11.357 -3.655 -5.880 1.00 0.00 C ATOM 1660 CD1 LEU A 109 -10.605 -2.348 -6.073 1.00 0.00 C ATOM 1661 CD2 LEU A 109 -10.998 -4.646 -6.977 1.00 0.00 C ATOM 0 H LEU A 109 -13.384 -3.432 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.225 -6.052 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.854 -3.429 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.143 -4.838 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.425 -3.448 -5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.831 -1.941 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.911 -1.636 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.533 -2.530 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.218 -4.207 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.936 -4.885 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.582 -5.557 -6.850 1.00 0.00 H new ATOM 1673 N VAL A 110 -12.134 -4.585 -1.534 1.00 0.00 N ATOM 1674 CA VAL A 110 -11.855 -4.803 -0.119 1.00 0.00 C ATOM 1675 C VAL A 110 -12.326 -6.183 0.327 1.00 0.00 C ATOM 1676 O VAL A 110 -11.556 -6.960 0.893 1.00 0.00 O ATOM 1677 CB VAL A 110 -12.532 -3.733 0.758 1.00 0.00 C ATOM 1678 CG1 VAL A 110 -12.252 -3.993 2.230 1.00 0.00 C ATOM 1679 CG2 VAL A 110 -12.066 -2.342 0.355 1.00 0.00 C ATOM 0 H VAL A 110 -12.600 -3.701 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.774 -4.733 0.005 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.609 -3.789 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.738 -3.227 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.640 -4.973 2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.177 -3.965 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -12.554 -1.598 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.986 -2.270 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -12.324 -2.160 -0.688 1.00 0.00 H new ATOM 1689 N HIS A 111 -13.595 -6.482 0.069 1.00 0.00 N ATOM 1690 CA HIS A 111 -14.169 -7.769 0.444 1.00 0.00 C ATOM 1691 C HIS A 111 -13.335 -8.919 -0.115 1.00 0.00 C ATOM 1692 O HIS A 111 -13.090 -9.910 0.572 1.00 0.00 O ATOM 1693 CB HIS A 111 -15.608 -7.876 -0.061 1.00 0.00 C ATOM 1694 CG HIS A 111 -16.592 -7.108 0.767 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -17.751 -6.569 0.251 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -16.584 -6.791 2.083 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -18.413 -5.952 1.213 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -17.727 -6.072 2.335 1.00 0.00 N ATOM 0 H HIS A 111 -14.245 -5.850 -0.398 1.00 0.00 H new ATOM 0 HA HIS A 111 -14.167 -7.837 1.532 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -15.651 -7.516 -1.089 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -15.901 -8.926 -0.078 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -15.821 -7.054 2.801 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -19.356 -5.437 1.101 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -18.001 -5.693 3.241 1.00 0.00 H new ATOM 1706 N GLN A 112 -12.903 -8.778 -1.364 1.00 0.00 N ATOM 1707 CA GLN A 112 -12.098 -9.805 -2.013 1.00 0.00 C ATOM 1708 C GLN A 112 -10.856 -10.127 -1.189 1.00 0.00 C ATOM 1709 O GLN A 112 -10.614 -11.281 -0.835 1.00 0.00 O ATOM 1710 CB GLN A 112 -11.690 -9.352 -3.416 1.00 0.00 C ATOM 1711 CG GLN A 112 -12.869 -8.996 -4.307 1.00 0.00 C ATOM 1712 CD GLN A 112 -12.445 -8.624 -5.715 1.00 0.00 C ATOM 1713 OE1 GLN A 112 -11.255 -8.508 -6.007 1.00 0.00 O ATOM 1714 NE2 GLN A 112 -13.420 -8.436 -6.596 1.00 0.00 N ATOM 0 H GLN A 112 -13.097 -7.963 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.703 -10.708 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.034 -8.486 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.112 -10.145 -3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.556 -9.842 -4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -13.416 -8.163 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.393 -8.543 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.196 -8.185 -7.559 1.00 0.00 H new ATOM 1723 N CYS A 113 -10.071 -9.098 -0.886 1.00 0.00 N ATOM 1724 CA CYS A 113 -8.853 -9.270 -0.103 1.00 0.00 C ATOM 1725 C CYS A 113 -9.073 -10.261 1.036 1.00 0.00 C ATOM 1726 O CYS A 113 -8.216 -11.098 1.320 1.00 0.00 O ATOM 1727 CB CYS A 113 -8.388 -7.925 0.458 1.00 0.00 C ATOM 1728 SG CYS A 113 -9.090 -7.519 2.090 1.00 0.00 S ATOM 0 H CYS A 113 -10.257 -8.136 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 113 -8.081 -9.667 -0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -7.301 -7.931 0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -8.655 -7.137 -0.247 1.00 0.00 H new