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 157:sc= -0.0265 (180deg=-0.367) USER MOD Set 1.2: A 101 HIS : no HD1:sc= 0 X(o=-0.027,f=-0.031) USER MOD Set 2.1: A 42 MET CE :methyl -154:sc= -0.275 (180deg=-1.34!) USER MOD Set 2.2: A 98 HIS : no HE2:sc= -1.5 K(o=-1.8,f=-4.5!) USER MOD Single : A 18 ASN : amide:sc= -4.62! C(o=-4.6!,f=-3!) USER MOD Single : A 19 GLN : amide:sc= -0.304 K(o=-0.3,f=-2.3) USER MOD Single : A 21 GLN : amide:sc= 0.0307 X(o=0.031,f=0) USER MOD Single : A 23 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0739 X(o=-0.074,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0141) USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.0351 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.188 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 81:sc= -1.08 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -118:sc=-0.00617 (180deg=-0.549) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.386 (180deg=-0.927) USER MOD Single : A 48 HIS : no HD1:sc= -0.716 K(o=-0.72,f=-0.2) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.552 K(o=-0.55,f=-2.7!) USER MOD Single : A 67 GLN : amide:sc= -0.393 K(o=-0.39,f=-2.6) USER MOD Single : A 69 GLN : amide:sc=-0.000488 X(o=-0.00049,f=-0.0035) 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 -168:sc= 0 (180deg=-0.204) USER MOD Single : A 76 THR OG1 : rot -80:sc= 0.493 USER MOD Single : A 80 THR OG1 : rot 45:sc= 0.95 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 97 THR OG1 : rot 75:sc=-0.00871 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -5.01! C(o=-5!,f=-4.1!) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 168 N ALA A 15 16.210 -6.808 -1.313 1.00 0.00 N ATOM 169 CA ALA A 15 15.942 -5.412 -1.638 1.00 0.00 C ATOM 170 C ALA A 15 14.757 -4.881 -0.838 1.00 0.00 C ATOM 171 O ALA A 15 13.909 -5.636 -0.362 1.00 0.00 O ATOM 172 CB ALA A 15 15.686 -5.257 -3.130 1.00 0.00 C ATOM 0 HA ALA A 15 16.821 -4.826 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.487 -4.210 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.563 -5.590 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.824 -5.860 -3.416 1.00 0.00 H new ATOM 178 N PRO A 16 14.694 -3.550 -0.686 1.00 0.00 N ATOM 179 CA PRO A 16 13.617 -2.888 0.056 1.00 0.00 C ATOM 180 C PRO A 16 12.279 -2.966 -0.671 1.00 0.00 C ATOM 181 O PRO A 16 11.240 -3.209 -0.057 1.00 0.00 O ATOM 182 CB PRO A 16 14.091 -1.435 0.149 1.00 0.00 C ATOM 183 CG PRO A 16 15.000 -1.258 -1.017 1.00 0.00 C ATOM 184 CD PRO A 16 15.670 -2.588 -1.227 1.00 0.00 C ATOM 0 HA PRO A 16 13.442 -3.357 1.024 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.251 -0.741 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.611 -1.248 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.442 -0.958 -1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.735 -0.477 -0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.875 -2.773 -2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.624 -2.645 -0.702 1.00 0.00 H new ATOM 192 N VAL A 17 12.311 -2.758 -1.984 1.00 0.00 N ATOM 193 CA VAL A 17 11.101 -2.806 -2.795 1.00 0.00 C ATOM 194 C VAL A 17 10.373 -4.134 -2.618 1.00 0.00 C ATOM 195 O VAL A 17 9.150 -4.203 -2.731 1.00 0.00 O ATOM 196 CB VAL A 17 11.418 -2.603 -4.289 1.00 0.00 C ATOM 197 CG1 VAL A 17 12.165 -3.805 -4.845 1.00 0.00 C ATOM 198 CG2 VAL A 17 10.140 -2.348 -5.074 1.00 0.00 C ATOM 0 H VAL A 17 13.162 -2.555 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 17 10.459 -1.994 -2.453 1.00 0.00 H new ATOM 0 HB VAL A 17 12.061 -1.728 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.380 -3.643 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.100 -3.936 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.551 -4.699 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.382 -2.207 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.471 -3.202 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.650 -1.453 -4.691 1.00 0.00 H new ATOM 208 N ASN A 18 11.135 -5.187 -2.339 1.00 0.00 N ATOM 209 CA ASN A 18 10.562 -6.515 -2.146 1.00 0.00 C ATOM 210 C ASN A 18 9.729 -6.567 -0.869 1.00 0.00 C ATOM 211 O ASN A 18 8.590 -7.033 -0.879 1.00 0.00 O ATOM 212 CB ASN A 18 11.671 -7.568 -2.088 1.00 0.00 C ATOM 213 CG ASN A 18 12.343 -7.774 -3.432 1.00 0.00 C ATOM 214 OD1 ASN A 18 11.723 -8.255 -4.381 1.00 0.00 O ATOM 215 ND2 ASN A 18 13.617 -7.410 -3.518 1.00 0.00 N ATOM 0 H ASN A 18 12.150 -5.147 -2.242 1.00 0.00 H new ATOM 0 HA ASN A 18 9.910 -6.729 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.418 -7.265 -1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.252 -8.514 -1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.122 -7.525 -4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.091 -7.016 -2.705 1.00 0.00 H new ATOM 222 N GLN A 19 10.305 -6.086 0.228 1.00 0.00 N ATOM 223 CA GLN A 19 9.615 -6.078 1.512 1.00 0.00 C ATOM 224 C GLN A 19 8.213 -5.495 1.373 1.00 0.00 C ATOM 225 O GLN A 19 7.304 -5.853 2.123 1.00 0.00 O ATOM 226 CB GLN A 19 10.415 -5.276 2.540 1.00 0.00 C ATOM 227 CG GLN A 19 11.756 -5.901 2.890 1.00 0.00 C ATOM 228 CD GLN A 19 12.377 -5.292 4.131 1.00 0.00 C ATOM 229 OE1 GLN A 19 11.781 -4.433 4.780 1.00 0.00 O ATOM 230 NE2 GLN A 19 13.582 -5.736 4.468 1.00 0.00 N ATOM 0 H GLN A 19 11.248 -5.697 0.253 1.00 0.00 H new ATOM 0 HA GLN A 19 9.527 -7.109 1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.582 -4.271 2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.823 -5.174 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.625 -6.972 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.439 -5.780 2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.040 -6.450 3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.050 -5.364 5.294 1.00 0.00 H new ATOM 239 N ILE A 20 8.045 -4.594 0.411 1.00 0.00 N ATOM 240 CA ILE A 20 6.753 -3.961 0.175 1.00 0.00 C ATOM 241 C ILE A 20 5.850 -4.855 -0.668 1.00 0.00 C ATOM 242 O ILE A 20 4.665 -5.011 -0.373 1.00 0.00 O ATOM 243 CB ILE A 20 6.913 -2.601 -0.530 1.00 0.00 C ATOM 244 CG1 ILE A 20 7.717 -1.639 0.347 1.00 0.00 C ATOM 245 CG2 ILE A 20 5.550 -2.012 -0.861 1.00 0.00 C ATOM 246 CD1 ILE A 20 8.485 -0.602 -0.442 1.00 0.00 C ATOM 0 H ILE A 20 8.787 -4.286 -0.217 1.00 0.00 H new ATOM 0 HA ILE A 20 6.295 -3.803 1.151 1.00 0.00 H new ATOM 0 HB ILE A 20 7.457 -2.753 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.039 -1.133 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.416 -2.213 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.680 -1.051 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.010 -2.692 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.982 -1.870 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.032 0.046 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.188 -1.100 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.789 -0.003 -1.030 1.00 0.00 H new ATOM 258 N GLN A 21 6.418 -5.441 -1.717 1.00 0.00 N ATOM 259 CA GLN A 21 5.664 -6.321 -2.602 1.00 0.00 C ATOM 260 C GLN A 21 4.864 -7.343 -1.801 1.00 0.00 C ATOM 261 O GLN A 21 3.714 -7.636 -2.125 1.00 0.00 O ATOM 262 CB GLN A 21 6.607 -7.038 -3.569 1.00 0.00 C ATOM 263 CG GLN A 21 7.305 -6.103 -4.543 1.00 0.00 C ATOM 264 CD GLN A 21 7.695 -6.792 -5.836 1.00 0.00 C ATOM 265 OE1 GLN A 21 8.321 -7.852 -5.824 1.00 0.00 O ATOM 266 NE2 GLN A 21 7.324 -6.193 -6.962 1.00 0.00 N ATOM 0 H GLN A 21 7.398 -5.322 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 21 4.967 -5.708 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.359 -7.579 -2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.041 -7.780 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.648 -5.262 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.198 -5.693 -4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.806 -5.315 -6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.557 -6.611 -7.863 1.00 0.00 H new ATOM 275 N GLU A 22 5.482 -7.882 -0.755 1.00 0.00 N ATOM 276 CA GLU A 22 4.827 -8.873 0.091 1.00 0.00 C ATOM 277 C GLU A 22 3.783 -8.216 0.990 1.00 0.00 C ATOM 278 O GLU A 22 2.684 -8.741 1.173 1.00 0.00 O ATOM 279 CB GLU A 22 5.860 -9.610 0.946 1.00 0.00 C ATOM 280 CG GLU A 22 6.956 -10.279 0.133 1.00 0.00 C ATOM 281 CD GLU A 22 6.497 -11.573 -0.511 1.00 0.00 C ATOM 282 OE1 GLU A 22 5.621 -11.516 -1.398 1.00 0.00 O ATOM 283 OE2 GLU A 22 7.016 -12.642 -0.127 1.00 0.00 O ATOM 0 H GLU A 22 6.434 -7.650 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 22 4.324 -9.591 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.314 -8.904 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.351 -10.365 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.298 -9.593 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.810 -10.482 0.779 1.00 0.00 H new ATOM 290 N THR A 23 4.135 -7.063 1.551 1.00 0.00 N ATOM 291 CA THR A 23 3.231 -6.334 2.432 1.00 0.00 C ATOM 292 C THR A 23 1.926 -5.994 1.721 1.00 0.00 C ATOM 293 O THR A 23 0.844 -6.358 2.183 1.00 0.00 O ATOM 294 CB THR A 23 3.875 -5.034 2.947 1.00 0.00 C ATOM 295 OG1 THR A 23 5.056 -5.336 3.698 1.00 0.00 O ATOM 296 CG2 THR A 23 2.901 -4.254 3.817 1.00 0.00 C ATOM 0 H THR A 23 5.040 -6.614 1.411 1.00 0.00 H new ATOM 0 HA THR A 23 3.021 -6.987 3.279 1.00 0.00 H new ATOM 0 HB THR A 23 4.139 -4.421 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.800 -5.507 3.083 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.379 -3.340 4.169 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.016 -3.999 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.609 -4.863 4.672 1.00 0.00 H new ATOM 304 N ILE A 24 2.035 -5.296 0.596 1.00 0.00 N ATOM 305 CA ILE A 24 0.862 -4.909 -0.179 1.00 0.00 C ATOM 306 C ILE A 24 -0.071 -6.096 -0.394 1.00 0.00 C ATOM 307 O ILE A 24 -1.293 -5.951 -0.362 1.00 0.00 O ATOM 308 CB ILE A 24 1.260 -4.329 -1.550 1.00 0.00 C ATOM 309 CG1 ILE A 24 2.017 -5.375 -2.370 1.00 0.00 C ATOM 310 CG2 ILE A 24 2.104 -3.076 -1.370 1.00 0.00 C ATOM 311 CD1 ILE A 24 2.302 -4.938 -3.790 1.00 0.00 C ATOM 0 H ILE A 24 2.923 -4.987 0.201 1.00 0.00 H new ATOM 0 HA ILE A 24 0.343 -4.141 0.395 1.00 0.00 H new ATOM 0 HB ILE A 24 0.353 -4.058 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.960 -5.603 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.437 -6.298 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.377 -2.678 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.532 -2.328 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.008 -3.323 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.841 -5.728 -4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.362 -4.738 -4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.909 -4.032 -3.777 1.00 0.00 H new ATOM 323 N SER A 25 0.513 -7.270 -0.610 1.00 0.00 N ATOM 324 CA SER A 25 -0.266 -8.482 -0.831 1.00 0.00 C ATOM 325 C SER A 25 -0.892 -8.971 0.472 1.00 0.00 C ATOM 326 O SER A 25 -2.114 -9.054 0.594 1.00 0.00 O ATOM 327 CB SER A 25 0.616 -9.579 -1.430 1.00 0.00 C ATOM 328 OG SER A 25 0.760 -9.410 -2.829 1.00 0.00 O ATOM 0 H SER A 25 1.523 -7.407 -0.637 1.00 0.00 H new ATOM 0 HA SER A 25 -1.067 -8.247 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.597 -9.561 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.179 -10.556 -1.222 1.00 0.00 H new ATOM 0 HG SER A 25 1.329 -10.122 -3.188 1.00 0.00 H new ATOM 334 N ASP A 26 -0.044 -9.295 1.442 1.00 0.00 N ATOM 335 CA ASP A 26 -0.512 -9.775 2.737 1.00 0.00 C ATOM 336 C ASP A 26 -1.628 -8.886 3.276 1.00 0.00 C ATOM 337 O ASP A 26 -2.763 -9.331 3.446 1.00 0.00 O ATOM 338 CB ASP A 26 0.645 -9.823 3.736 1.00 0.00 C ATOM 339 CG ASP A 26 0.181 -10.131 5.146 1.00 0.00 C ATOM 340 OD1 ASP A 26 -0.208 -11.290 5.402 1.00 0.00 O ATOM 341 OD2 ASP A 26 0.208 -9.215 5.993 1.00 0.00 O ATOM 0 H ASP A 26 0.971 -9.234 1.356 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.907 -10.782 2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.363 -10.580 3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.167 -8.866 3.729 1.00 0.00 H new ATOM 346 N ASN A 27 -1.298 -7.626 3.544 1.00 0.00 N ATOM 347 CA ASN A 27 -2.272 -6.675 4.065 1.00 0.00 C ATOM 348 C ASN A 27 -3.319 -6.335 3.009 1.00 0.00 C ATOM 349 O ASN A 27 -3.005 -6.211 1.824 1.00 0.00 O ATOM 350 CB ASN A 27 -1.570 -5.398 4.532 1.00 0.00 C ATOM 351 CG ASN A 27 -0.992 -5.534 5.928 1.00 0.00 C ATOM 352 OD1 ASN A 27 -1.708 -5.417 6.922 1.00 0.00 O ATOM 353 ND2 ASN A 27 0.310 -5.782 6.007 1.00 0.00 N ATOM 0 H ASN A 27 -0.363 -7.241 3.409 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.775 -7.137 4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.771 -5.149 3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.278 -4.570 4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.755 -5.883 6.919 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.865 -5.871 5.156 1.00 0.00 H new ATOM 360 N CYS A 28 -4.565 -6.185 3.445 1.00 0.00 N ATOM 361 CA CYS A 28 -5.660 -5.859 2.539 1.00 0.00 C ATOM 362 C CYS A 28 -5.451 -4.486 1.905 1.00 0.00 C ATOM 363 O CYS A 28 -5.655 -4.308 0.704 1.00 0.00 O ATOM 364 CB CYS A 28 -6.995 -5.890 3.286 1.00 0.00 C ATOM 365 SG CYS A 28 -7.554 -7.563 3.739 1.00 0.00 S ATOM 0 H CYS A 28 -4.842 -6.284 4.422 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.678 -6.607 1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.906 -5.290 4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.757 -5.419 2.665 1.00 0.00 H new ATOM 370 N VAL A 29 -5.043 -3.520 2.721 1.00 0.00 N ATOM 371 CA VAL A 29 -4.805 -2.164 2.242 1.00 0.00 C ATOM 372 C VAL A 29 -3.596 -1.541 2.931 1.00 0.00 C ATOM 373 O VAL A 29 -3.399 -1.710 4.134 1.00 0.00 O ATOM 374 CB VAL A 29 -6.033 -1.263 2.471 1.00 0.00 C ATOM 375 CG1 VAL A 29 -5.762 0.148 1.973 1.00 0.00 C ATOM 376 CG2 VAL A 29 -7.260 -1.851 1.790 1.00 0.00 C ATOM 0 H VAL A 29 -4.870 -3.651 3.718 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.612 -2.237 1.172 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.229 -1.213 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.641 0.769 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.912 0.567 2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.538 0.121 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.118 -1.201 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.077 -1.934 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.465 -2.840 2.201 1.00 0.00 H new ATOM 386 N VAL A 30 -2.788 -0.820 2.159 1.00 0.00 N ATOM 387 CA VAL A 30 -1.599 -0.170 2.696 1.00 0.00 C ATOM 388 C VAL A 30 -1.523 1.288 2.256 1.00 0.00 C ATOM 389 O VAL A 30 -1.665 1.597 1.072 1.00 0.00 O ATOM 390 CB VAL A 30 -0.314 -0.896 2.252 1.00 0.00 C ATOM 391 CG1 VAL A 30 0.916 -0.177 2.783 1.00 0.00 C ATOM 392 CG2 VAL A 30 -0.336 -2.345 2.713 1.00 0.00 C ATOM 0 H VAL A 30 -2.936 -0.672 1.161 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.677 -0.215 3.782 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.269 -0.886 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.814 -0.704 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.936 0.843 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.882 -0.154 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.579 -2.843 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.405 -2.380 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.197 -2.852 2.278 1.00 0.00 H new ATOM 402 N ILE A 31 -1.299 2.179 3.215 1.00 0.00 N ATOM 403 CA ILE A 31 -1.203 3.604 2.926 1.00 0.00 C ATOM 404 C ILE A 31 0.181 4.143 3.272 1.00 0.00 C ATOM 405 O ILE A 31 0.576 4.167 4.438 1.00 0.00 O ATOM 406 CB ILE A 31 -2.264 4.408 3.701 1.00 0.00 C ATOM 407 CG1 ILE A 31 -3.670 3.943 3.317 1.00 0.00 C ATOM 408 CG2 ILE A 31 -2.101 5.897 3.432 1.00 0.00 C ATOM 409 CD1 ILE A 31 -4.755 4.491 4.218 1.00 0.00 C ATOM 0 H ILE A 31 -1.181 1.939 4.199 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.379 3.722 1.857 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.123 4.233 4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.876 4.244 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.703 2.854 3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.858 6.452 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.109 6.218 3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.219 6.089 2.366 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.725 4.120 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.574 4.168 5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.749 5.580 4.174 1.00 0.00 H new ATOM 421 N PHE A 32 0.913 4.577 2.251 1.00 0.00 N ATOM 422 CA PHE A 32 2.253 5.118 2.447 1.00 0.00 C ATOM 423 C PHE A 32 2.228 6.644 2.457 1.00 0.00 C ATOM 424 O PHE A 32 2.080 7.280 1.414 1.00 0.00 O ATOM 425 CB PHE A 32 3.192 4.619 1.347 1.00 0.00 C ATOM 426 CG PHE A 32 3.571 3.173 1.492 1.00 0.00 C ATOM 427 CD1 PHE A 32 4.639 2.800 2.293 1.00 0.00 C ATOM 428 CD2 PHE A 32 2.861 2.187 0.827 1.00 0.00 C ATOM 429 CE1 PHE A 32 4.990 1.470 2.429 1.00 0.00 C ATOM 430 CE2 PHE A 32 3.207 0.856 0.959 1.00 0.00 C ATOM 431 CZ PHE A 32 4.274 0.497 1.760 1.00 0.00 C ATOM 0 H PHE A 32 0.601 4.565 1.280 1.00 0.00 H new ATOM 0 HA PHE A 32 2.620 4.773 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.714 4.766 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.098 5.226 1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.203 3.557 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.027 2.462 0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.823 1.192 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.644 0.097 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.548 -0.543 1.863 1.00 0.00 H new ATOM 441 N SER A 33 2.373 7.224 3.644 1.00 0.00 N ATOM 442 CA SER A 33 2.363 8.674 3.793 1.00 0.00 C ATOM 443 C SER A 33 3.714 9.179 4.292 1.00 0.00 C ATOM 444 O SER A 33 4.485 8.432 4.895 1.00 0.00 O ATOM 445 CB SER A 33 1.257 9.102 4.760 1.00 0.00 C ATOM 446 OG SER A 33 1.632 8.855 6.104 1.00 0.00 O ATOM 0 H SER A 33 2.499 6.711 4.517 1.00 0.00 H new ATOM 0 HA SER A 33 2.170 9.113 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.044 10.163 4.628 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.339 8.561 4.530 1.00 0.00 H new ATOM 0 HG SER A 33 0.910 9.138 6.703 1.00 0.00 H new ATOM 452 N LYS A 34 3.994 10.452 4.035 1.00 0.00 N ATOM 453 CA LYS A 34 5.250 11.060 4.458 1.00 0.00 C ATOM 454 C LYS A 34 4.995 12.300 5.309 1.00 0.00 C ATOM 455 O LYS A 34 5.803 13.230 5.327 1.00 0.00 O ATOM 456 CB LYS A 34 6.098 11.429 3.239 1.00 0.00 C ATOM 457 CG LYS A 34 5.313 12.126 2.141 1.00 0.00 C ATOM 458 CD LYS A 34 6.003 11.995 0.794 1.00 0.00 C ATOM 459 CE LYS A 34 7.139 12.996 0.650 1.00 0.00 C ATOM 460 NZ LYS A 34 6.649 14.332 0.211 1.00 0.00 N ATOM 0 H LYS A 34 3.368 11.083 3.535 1.00 0.00 H new ATOM 0 HA LYS A 34 5.792 10.332 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.915 12.077 3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.549 10.524 2.833 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.312 11.699 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.196 13.181 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.392 10.983 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.277 12.149 -0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.659 13.095 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.865 12.620 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.454 14.911 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.979 14.215 -0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.171 14.804 1.005 1.00 0.00 H new ATOM 474 N THR A 35 3.868 12.308 6.013 1.00 0.00 N ATOM 475 CA THR A 35 3.507 13.434 6.866 1.00 0.00 C ATOM 476 C THR A 35 3.961 14.754 6.254 1.00 0.00 C ATOM 477 O THR A 35 4.621 15.559 6.911 1.00 0.00 O ATOM 478 CB THR A 35 4.122 13.294 8.271 1.00 0.00 C ATOM 479 OG1 THR A 35 5.544 13.159 8.172 1.00 0.00 O ATOM 480 CG2 THR A 35 3.543 12.090 8.998 1.00 0.00 C ATOM 0 H THR A 35 3.189 11.547 6.010 1.00 0.00 H new ATOM 0 HA THR A 35 2.420 13.431 6.951 1.00 0.00 H new ATOM 0 HB THR A 35 3.881 14.192 8.840 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.942 13.232 9.064 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.993 12.012 9.988 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.464 12.209 9.098 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.757 11.185 8.430 1.00 0.00 H new ATOM 488 N SER A 36 3.603 14.971 4.992 1.00 0.00 N ATOM 489 CA SER A 36 3.976 16.193 4.291 1.00 0.00 C ATOM 490 C SER A 36 2.771 16.802 3.580 1.00 0.00 C ATOM 491 O SER A 36 2.537 18.008 3.654 1.00 0.00 O ATOM 492 CB SER A 36 5.088 15.907 3.279 1.00 0.00 C ATOM 493 OG SER A 36 5.832 17.078 2.994 1.00 0.00 O ATOM 0 H SER A 36 3.055 14.316 4.435 1.00 0.00 H new ATOM 0 HA SER A 36 4.340 16.908 5.029 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.752 15.137 3.672 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.655 15.515 2.359 1.00 0.00 H new ATOM 0 HG SER A 36 6.537 16.868 2.346 1.00 0.00 H new ATOM 499 N CYS A 37 2.010 15.958 2.892 1.00 0.00 N ATOM 500 CA CYS A 37 0.829 16.411 2.166 1.00 0.00 C ATOM 501 C CYS A 37 -0.438 16.157 2.977 1.00 0.00 C ATOM 502 O CYS A 37 -0.697 15.033 3.407 1.00 0.00 O ATOM 503 CB CYS A 37 0.733 15.704 0.814 1.00 0.00 C ATOM 504 SG CYS A 37 -0.209 16.617 -0.431 1.00 0.00 S ATOM 0 H CYS A 37 2.190 14.956 2.822 1.00 0.00 H new ATOM 0 HA CYS A 37 0.924 17.484 2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.740 15.528 0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.272 14.727 0.959 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.232 15.940 -1.540 1.00 0.00 H new ATOM 510 N SER A 38 -1.224 17.209 3.183 1.00 0.00 N ATOM 511 CA SER A 38 -2.461 17.101 3.948 1.00 0.00 C ATOM 512 C SER A 38 -3.276 15.894 3.494 1.00 0.00 C ATOM 513 O SER A 38 -3.920 15.227 4.304 1.00 0.00 O ATOM 514 CB SER A 38 -3.291 18.377 3.796 1.00 0.00 C ATOM 515 OG SER A 38 -4.181 18.539 4.887 1.00 0.00 O ATOM 0 H SER A 38 -1.026 18.146 2.831 1.00 0.00 H new ATOM 0 HA SER A 38 -2.200 16.968 4.998 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.628 19.240 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.856 18.339 2.864 1.00 0.00 H new ATOM 0 HG SER A 38 -4.699 19.362 4.767 1.00 0.00 H new ATOM 521 N TYR A 39 -3.242 15.620 2.195 1.00 0.00 N ATOM 522 CA TYR A 39 -3.979 14.495 1.632 1.00 0.00 C ATOM 523 C TYR A 39 -3.818 13.249 2.498 1.00 0.00 C ATOM 524 O TYR A 39 -4.784 12.532 2.759 1.00 0.00 O ATOM 525 CB TYR A 39 -3.500 14.205 0.209 1.00 0.00 C ATOM 526 CG TYR A 39 -4.127 15.101 -0.836 1.00 0.00 C ATOM 527 CD1 TYR A 39 -5.501 15.300 -0.875 1.00 0.00 C ATOM 528 CD2 TYR A 39 -3.343 15.751 -1.782 1.00 0.00 C ATOM 529 CE1 TYR A 39 -6.078 16.117 -1.828 1.00 0.00 C ATOM 530 CE2 TYR A 39 -3.911 16.571 -2.737 1.00 0.00 C ATOM 531 CZ TYR A 39 -5.279 16.751 -2.757 1.00 0.00 C ATOM 532 OH TYR A 39 -5.849 17.567 -3.706 1.00 0.00 O ATOM 0 H TYR A 39 -2.712 16.161 1.512 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.035 14.763 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.417 14.318 0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.721 13.166 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -6.129 14.807 -0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.272 15.612 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.149 16.259 -1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.288 17.069 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.148 17.937 -4.283 1.00 0.00 H new ATOM 542 N CYS A 40 -2.591 13.001 2.942 1.00 0.00 N ATOM 543 CA CYS A 40 -2.301 11.842 3.779 1.00 0.00 C ATOM 544 C CYS A 40 -3.343 11.695 4.883 1.00 0.00 C ATOM 545 O CYS A 40 -3.727 10.582 5.246 1.00 0.00 O ATOM 546 CB CYS A 40 -0.905 11.966 4.392 1.00 0.00 C ATOM 547 SG CYS A 40 0.416 12.199 3.179 1.00 0.00 S ATOM 0 H CYS A 40 -1.781 13.586 2.737 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.336 10.952 3.150 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.898 12.806 5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.695 11.069 4.975 1.00 0.00 H new ATOM 0 HG CYS A 40 0.456 13.446 2.815 1.00 0.00 H new ATOM 553 N THR A 41 -3.797 12.825 5.416 1.00 0.00 N ATOM 554 CA THR A 41 -4.792 12.822 6.481 1.00 0.00 C ATOM 555 C THR A 41 -6.157 12.393 5.956 1.00 0.00 C ATOM 556 O THR A 41 -6.955 11.804 6.684 1.00 0.00 O ATOM 557 CB THR A 41 -4.919 14.211 7.135 1.00 0.00 C ATOM 558 OG1 THR A 41 -3.721 14.525 7.854 1.00 0.00 O ATOM 559 CG2 THR A 41 -6.110 14.257 8.080 1.00 0.00 C ATOM 0 H THR A 41 -3.491 13.754 5.127 1.00 0.00 H new ATOM 0 HA THR A 41 -4.452 12.106 7.229 1.00 0.00 H new ATOM 0 HB THR A 41 -5.073 14.947 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.809 15.410 8.265 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.179 15.247 8.530 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.024 14.046 7.524 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.982 13.511 8.864 1.00 0.00 H new ATOM 567 N MET A 42 -6.419 12.692 4.688 1.00 0.00 N ATOM 568 CA MET A 42 -7.689 12.335 4.066 1.00 0.00 C ATOM 569 C MET A 42 -7.812 10.823 3.910 1.00 0.00 C ATOM 570 O MET A 42 -8.782 10.219 4.367 1.00 0.00 O ATOM 571 CB MET A 42 -7.820 13.013 2.700 1.00 0.00 C ATOM 572 CG MET A 42 -8.491 14.376 2.760 1.00 0.00 C ATOM 573 SD MET A 42 -10.281 14.277 2.570 1.00 0.00 S ATOM 574 CE MET A 42 -10.410 13.582 0.924 1.00 0.00 C ATOM 0 H MET A 42 -5.770 13.180 4.071 1.00 0.00 H new ATOM 0 HA MET A 42 -8.493 12.682 4.715 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.828 13.124 2.262 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.391 12.365 2.035 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.256 14.851 3.713 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.081 15.013 1.977 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.362 13.874 0.480 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.592 13.954 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.355 12.495 0.983 1.00 0.00 H new ATOM 584 N ALA A 43 -6.822 10.217 3.261 1.00 0.00 N ATOM 585 CA ALA A 43 -6.819 8.776 3.047 1.00 0.00 C ATOM 586 C ALA A 43 -7.050 8.026 4.354 1.00 0.00 C ATOM 587 O ALA A 43 -7.851 7.093 4.414 1.00 0.00 O ATOM 588 CB ALA A 43 -5.508 8.339 2.410 1.00 0.00 C ATOM 0 H ALA A 43 -6.012 10.703 2.875 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.638 8.533 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.520 7.260 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.385 8.841 1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.679 8.602 3.067 1.00 0.00 H new ATOM 594 N LYS A 44 -6.343 8.439 5.401 1.00 0.00 N ATOM 595 CA LYS A 44 -6.470 7.807 6.709 1.00 0.00 C ATOM 596 C LYS A 44 -7.900 7.917 7.229 1.00 0.00 C ATOM 597 O LYS A 44 -8.534 6.911 7.550 1.00 0.00 O ATOM 598 CB LYS A 44 -5.503 8.450 7.705 1.00 0.00 C ATOM 599 CG LYS A 44 -4.040 8.214 7.371 1.00 0.00 C ATOM 600 CD LYS A 44 -3.170 9.373 7.829 1.00 0.00 C ATOM 601 CE LYS A 44 -3.027 9.398 9.343 1.00 0.00 C ATOM 602 NZ LYS A 44 -1.893 8.553 9.807 1.00 0.00 N ATOM 0 H LYS A 44 -5.675 9.210 5.369 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.221 6.751 6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.691 9.523 7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.707 8.058 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.701 7.293 7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.929 8.077 6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.184 9.293 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.605 10.313 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.875 10.425 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.952 9.048 9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.255 7.789 10.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.407 8.142 8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.224 9.137 10.349 1.00 0.00 H new ATOM 616 N LYS A 45 -8.403 9.144 7.308 1.00 0.00 N ATOM 617 CA LYS A 45 -9.759 9.386 7.786 1.00 0.00 C ATOM 618 C LYS A 45 -10.776 8.612 6.953 1.00 0.00 C ATOM 619 O LYS A 45 -11.741 8.062 7.487 1.00 0.00 O ATOM 620 CB LYS A 45 -10.079 10.882 7.740 1.00 0.00 C ATOM 621 CG LYS A 45 -9.320 11.698 8.772 1.00 0.00 C ATOM 622 CD LYS A 45 -10.110 12.921 9.205 1.00 0.00 C ATOM 623 CE LYS A 45 -10.994 12.618 10.406 1.00 0.00 C ATOM 624 NZ LYS A 45 -12.216 11.861 10.018 1.00 0.00 N ATOM 0 H LYS A 45 -7.892 9.987 7.047 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.821 9.039 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.848 11.264 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.149 11.021 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.104 11.077 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.362 12.011 8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.423 13.730 9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.727 13.269 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.427 12.042 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.283 13.551 10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.932 11.950 10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.595 12.246 9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.976 10.858 9.886 1.00 0.00 H new ATOM 638 N LEU A 46 -10.554 8.572 5.644 1.00 0.00 N ATOM 639 CA LEU A 46 -11.450 7.863 4.737 1.00 0.00 C ATOM 640 C LEU A 46 -11.718 6.446 5.233 1.00 0.00 C ATOM 641 O LEU A 46 -12.846 6.104 5.590 1.00 0.00 O ATOM 642 CB LEU A 46 -10.853 7.819 3.330 1.00 0.00 C ATOM 643 CG LEU A 46 -11.471 6.801 2.370 1.00 0.00 C ATOM 644 CD1 LEU A 46 -12.857 7.250 1.934 1.00 0.00 C ATOM 645 CD2 LEU A 46 -10.571 6.593 1.161 1.00 0.00 C ATOM 0 H LEU A 46 -9.761 9.022 5.187 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.397 8.402 4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.946 8.810 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.787 7.607 3.416 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.568 5.850 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.280 6.513 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.500 7.346 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.785 8.213 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.027 5.866 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.441 7.540 0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.599 6.224 1.490 1.00 0.00 H new ATOM 657 N PHE A 47 -10.673 5.625 5.255 1.00 0.00 N ATOM 658 CA PHE A 47 -10.794 4.244 5.709 1.00 0.00 C ATOM 659 C PHE A 47 -11.326 4.186 7.138 1.00 0.00 C ATOM 660 O PHE A 47 -12.266 3.447 7.433 1.00 0.00 O ATOM 661 CB PHE A 47 -9.440 3.538 5.628 1.00 0.00 C ATOM 662 CG PHE A 47 -9.035 3.174 4.228 1.00 0.00 C ATOM 663 CD1 PHE A 47 -9.477 1.996 3.649 1.00 0.00 C ATOM 664 CD2 PHE A 47 -8.213 4.011 3.491 1.00 0.00 C ATOM 665 CE1 PHE A 47 -9.108 1.658 2.361 1.00 0.00 C ATOM 666 CE2 PHE A 47 -7.840 3.679 2.202 1.00 0.00 C ATOM 667 CZ PHE A 47 -8.287 2.501 1.637 1.00 0.00 C ATOM 0 H PHE A 47 -9.733 5.892 4.964 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.502 3.734 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.676 4.183 6.062 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.475 2.633 6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.118 1.333 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.860 4.933 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.461 0.737 1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.200 4.340 1.637 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.995 2.239 0.631 1.00 0.00 H new ATOM 677 N HIS A 48 -10.719 4.971 8.022 1.00 0.00 N ATOM 678 CA HIS A 48 -11.131 5.010 9.420 1.00 0.00 C ATOM 679 C HIS A 48 -12.646 5.150 9.537 1.00 0.00 C ATOM 680 O HIS A 48 -13.298 4.377 10.239 1.00 0.00 O ATOM 681 CB HIS A 48 -10.443 6.167 10.145 1.00 0.00 C ATOM 682 CG HIS A 48 -11.035 6.470 11.487 1.00 0.00 C ATOM 683 ND1 HIS A 48 -11.034 7.732 12.042 1.00 0.00 N ATOM 684 CD2 HIS A 48 -11.651 5.666 12.385 1.00 0.00 C ATOM 685 CE1 HIS A 48 -11.622 7.691 13.224 1.00 0.00 C ATOM 686 NE2 HIS A 48 -12.006 6.449 13.456 1.00 0.00 N ATOM 0 H HIS A 48 -9.940 5.589 7.795 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.834 4.071 9.886 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.386 5.930 10.268 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -10.499 7.060 9.522 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -11.830 4.606 12.279 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -11.765 8.531 13.888 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -12.488 6.124 14.294 1.00 0.00 H new ATOM 694 N ASP A 49 -13.198 6.140 8.845 1.00 0.00 N ATOM 695 CA ASP A 49 -14.636 6.381 8.870 1.00 0.00 C ATOM 696 C ASP A 49 -15.400 5.167 8.351 1.00 0.00 C ATOM 697 O ASP A 49 -16.468 4.829 8.861 1.00 0.00 O ATOM 698 CB ASP A 49 -14.983 7.614 8.034 1.00 0.00 C ATOM 699 CG ASP A 49 -16.401 8.094 8.271 1.00 0.00 C ATOM 700 OD1 ASP A 49 -16.932 7.854 9.376 1.00 0.00 O ATOM 701 OD2 ASP A 49 -16.980 8.711 7.352 1.00 0.00 O ATOM 0 H ASP A 49 -12.672 6.789 8.260 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.932 6.558 9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.286 8.418 8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.853 7.381 6.977 1.00 0.00 H new ATOM 706 N MET A 50 -14.846 4.517 7.333 1.00 0.00 N ATOM 707 CA MET A 50 -15.475 3.340 6.745 1.00 0.00 C ATOM 708 C MET A 50 -15.346 2.135 7.670 1.00 0.00 C ATOM 709 O MET A 50 -16.082 1.158 7.538 1.00 0.00 O ATOM 710 CB MET A 50 -14.847 3.025 5.386 1.00 0.00 C ATOM 711 CG MET A 50 -14.934 4.174 4.395 1.00 0.00 C ATOM 712 SD MET A 50 -13.561 4.189 3.226 1.00 0.00 S ATOM 713 CE MET A 50 -13.644 2.518 2.585 1.00 0.00 C ATOM 0 H MET A 50 -13.963 4.785 6.898 1.00 0.00 H new ATOM 0 HA MET A 50 -16.534 3.556 6.606 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.800 2.760 5.532 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.341 2.151 4.961 1.00 0.00 H new ATOM 0 HG2 MET A 50 -15.873 4.105 3.846 1.00 0.00 H new ATOM 0 HG3 MET A 50 -14.952 5.118 4.940 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.168 2.480 1.605 1.00 0.00 H new ATOM 0 HE2 MET A 50 -13.128 1.841 3.266 1.00 0.00 H new ATOM 0 HE3 MET A 50 -14.687 2.215 2.493 1.00 0.00 H new ATOM 723 N ASN A 51 -14.405 2.211 8.606 1.00 0.00 N ATOM 724 CA ASN A 51 -14.179 1.125 9.553 1.00 0.00 C ATOM 725 C ASN A 51 -13.527 -0.070 8.864 1.00 0.00 C ATOM 726 O ASN A 51 -13.753 -1.219 9.244 1.00 0.00 O ATOM 727 CB ASN A 51 -15.500 0.698 10.196 1.00 0.00 C ATOM 728 CG ASN A 51 -15.313 0.167 11.604 1.00 0.00 C ATOM 729 OD1 ASN A 51 -15.118 -1.031 11.807 1.00 0.00 O ATOM 730 ND2 ASN A 51 -15.371 1.060 12.585 1.00 0.00 N ATOM 0 H ASN A 51 -13.787 3.013 8.729 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.505 1.487 10.329 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.181 1.549 10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.969 -0.070 9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.252 0.762 13.553 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.535 2.044 12.370 1.00 0.00 H new ATOM 737 N VAL A 52 -12.715 0.209 7.849 1.00 0.00 N ATOM 738 CA VAL A 52 -12.028 -0.841 7.108 1.00 0.00 C ATOM 739 C VAL A 52 -10.579 -0.977 7.563 1.00 0.00 C ATOM 740 O VAL A 52 -9.725 -0.171 7.196 1.00 0.00 O ATOM 741 CB VAL A 52 -12.055 -0.569 5.592 1.00 0.00 C ATOM 742 CG1 VAL A 52 -11.261 -1.629 4.845 1.00 0.00 C ATOM 743 CG2 VAL A 52 -13.489 -0.512 5.087 1.00 0.00 C ATOM 0 H VAL A 52 -12.517 1.154 7.521 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.559 -1.771 7.312 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.589 0.399 5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.292 -1.420 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.226 -1.617 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.695 -2.610 5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.490 -0.319 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.983 -1.464 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.024 0.288 5.600 1.00 0.00 H new ATOM 753 N ASN A 53 -10.310 -2.003 8.364 1.00 0.00 N ATOM 754 CA ASN A 53 -8.963 -2.245 8.869 1.00 0.00 C ATOM 755 C ASN A 53 -7.915 -1.854 7.833 1.00 0.00 C ATOM 756 O ASN A 53 -7.731 -2.544 6.830 1.00 0.00 O ATOM 757 CB ASN A 53 -8.796 -3.717 9.250 1.00 0.00 C ATOM 758 CG ASN A 53 -7.386 -4.040 9.706 1.00 0.00 C ATOM 759 OD1 ASN A 53 -6.678 -4.819 9.067 1.00 0.00 O ATOM 760 ND2 ASN A 53 -6.971 -3.441 10.816 1.00 0.00 N ATOM 0 H ASN A 53 -11.006 -2.680 8.677 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.818 -1.628 9.756 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.498 -3.965 10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.050 -4.342 8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.032 -3.619 11.171 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.592 -2.803 11.314 1.00 0.00 H new ATOM 767 N TYR A 54 -7.229 -0.744 8.082 1.00 0.00 N ATOM 768 CA TYR A 54 -6.200 -0.259 7.170 1.00 0.00 C ATOM 769 C TYR A 54 -4.830 -0.266 7.841 1.00 0.00 C ATOM 770 O TYR A 54 -4.716 -0.503 9.044 1.00 0.00 O ATOM 771 CB TYR A 54 -6.538 1.153 6.689 1.00 0.00 C ATOM 772 CG TYR A 54 -6.368 2.212 7.755 1.00 0.00 C ATOM 773 CD1 TYR A 54 -7.235 2.280 8.839 1.00 0.00 C ATOM 774 CD2 TYR A 54 -5.342 3.145 7.677 1.00 0.00 C ATOM 775 CE1 TYR A 54 -7.084 3.247 9.815 1.00 0.00 C ATOM 776 CE2 TYR A 54 -5.182 4.114 8.649 1.00 0.00 C ATOM 777 CZ TYR A 54 -6.056 4.161 9.715 1.00 0.00 C ATOM 778 OH TYR A 54 -5.901 5.125 10.685 1.00 0.00 O ATOM 0 H TYR A 54 -7.367 -0.163 8.909 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.167 -0.929 6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.903 1.400 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.568 1.170 6.333 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.040 1.565 8.920 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.657 3.113 6.842 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.767 3.287 10.651 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.377 4.830 8.574 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.130 5.688 10.466 1.00 0.00 H new ATOM 788 N LYS A 55 -3.792 -0.002 7.055 1.00 0.00 N ATOM 789 CA LYS A 55 -2.429 0.025 7.571 1.00 0.00 C ATOM 790 C LYS A 55 -1.642 1.185 6.969 1.00 0.00 C ATOM 791 O LYS A 55 -1.289 1.164 5.790 1.00 0.00 O ATOM 792 CB LYS A 55 -1.720 -1.297 7.267 1.00 0.00 C ATOM 793 CG LYS A 55 -0.591 -1.617 8.231 1.00 0.00 C ATOM 794 CD LYS A 55 0.689 -0.889 7.853 1.00 0.00 C ATOM 795 CE LYS A 55 1.408 -1.585 6.708 1.00 0.00 C ATOM 796 NZ LYS A 55 2.210 -2.748 7.181 1.00 0.00 N ATOM 0 H LYS A 55 -3.869 0.196 6.057 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.479 0.164 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.450 -2.106 7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.322 -1.261 6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.885 -1.337 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.411 -2.692 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.455 0.137 7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.348 -0.836 8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.678 -1.923 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.062 -0.874 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.684 -3.195 6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.924 -2.423 7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.582 -3.439 7.639 1.00 0.00 H new ATOM 810 N VAL A 56 -1.370 2.197 7.787 1.00 0.00 N ATOM 811 CA VAL A 56 -0.623 3.365 7.336 1.00 0.00 C ATOM 812 C VAL A 56 0.837 3.285 7.769 1.00 0.00 C ATOM 813 O VAL A 56 1.142 2.877 8.890 1.00 0.00 O ATOM 814 CB VAL A 56 -1.237 4.669 7.879 1.00 0.00 C ATOM 815 CG1 VAL A 56 -0.714 4.964 9.277 1.00 0.00 C ATOM 816 CG2 VAL A 56 -0.947 5.827 6.937 1.00 0.00 C ATOM 0 H VAL A 56 -1.656 2.231 8.766 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.676 3.373 6.247 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.318 4.543 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.159 5.889 9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.978 4.144 9.945 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.370 5.071 9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.388 6.740 7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.131 5.957 6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.376 5.615 5.957 1.00 0.00 H new ATOM 826 N VAL A 57 1.737 3.678 6.873 1.00 0.00 N ATOM 827 CA VAL A 57 3.166 3.653 7.163 1.00 0.00 C ATOM 828 C VAL A 57 3.807 5.007 6.882 1.00 0.00 C ATOM 829 O VAL A 57 3.855 5.456 5.738 1.00 0.00 O ATOM 830 CB VAL A 57 3.887 2.574 6.334 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.356 2.497 6.720 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.209 1.223 6.512 1.00 0.00 C ATOM 0 H VAL A 57 1.502 4.017 5.940 1.00 0.00 H new ATOM 0 HA VAL A 57 3.271 3.418 8.222 1.00 0.00 H new ATOM 0 HB VAL A 57 3.826 2.849 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.849 1.729 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.832 3.460 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.442 2.246 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.732 0.473 5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.236 0.938 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.173 1.290 6.181 1.00 0.00 H new ATOM 842 N GLU A 58 4.299 5.652 7.936 1.00 0.00 N ATOM 843 CA GLU A 58 4.938 6.956 7.802 1.00 0.00 C ATOM 844 C GLU A 58 6.377 6.809 7.313 1.00 0.00 C ATOM 845 O GLU A 58 7.272 6.456 8.081 1.00 0.00 O ATOM 846 CB GLU A 58 4.916 7.699 9.139 1.00 0.00 C ATOM 847 CG GLU A 58 3.516 7.929 9.684 1.00 0.00 C ATOM 848 CD GLU A 58 3.474 7.935 11.200 1.00 0.00 C ATOM 849 OE1 GLU A 58 4.097 7.045 11.815 1.00 0.00 O ATOM 850 OE2 GLU A 58 2.817 8.831 11.771 1.00 0.00 O ATOM 0 H GLU A 58 4.267 5.293 8.890 1.00 0.00 H new ATOM 0 HA GLU A 58 4.379 7.532 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.493 7.132 9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.413 8.662 9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.136 8.880 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.852 7.151 9.309 1.00 0.00 H new ATOM 857 N LEU A 59 6.590 7.083 6.031 1.00 0.00 N ATOM 858 CA LEU A 59 7.919 6.981 5.438 1.00 0.00 C ATOM 859 C LEU A 59 8.812 8.128 5.903 1.00 0.00 C ATOM 860 O LEU A 59 9.905 7.905 6.422 1.00 0.00 O ATOM 861 CB LEU A 59 7.819 6.984 3.911 1.00 0.00 C ATOM 862 CG LEU A 59 7.151 5.762 3.280 1.00 0.00 C ATOM 863 CD1 LEU A 59 6.968 5.967 1.784 1.00 0.00 C ATOM 864 CD2 LEU A 59 7.968 4.508 3.552 1.00 0.00 C ATOM 0 H LEU A 59 5.860 7.377 5.382 1.00 0.00 H new ATOM 0 HA LEU A 59 8.365 6.042 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.268 7.873 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.825 7.076 3.501 1.00 0.00 H new ATOM 0 HG LEU A 59 6.167 5.636 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.491 5.087 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.341 6.842 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.941 6.119 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.478 3.648 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.965 4.624 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.047 4.352 4.628 1.00 0.00 H new ATOM 876 N ASP A 60 8.337 9.354 5.714 1.00 0.00 N ATOM 877 CA ASP A 60 9.090 10.536 6.117 1.00 0.00 C ATOM 878 C ASP A 60 9.799 10.301 7.447 1.00 0.00 C ATOM 879 O ASP A 60 10.943 10.717 7.636 1.00 0.00 O ATOM 880 CB ASP A 60 8.161 11.746 6.226 1.00 0.00 C ATOM 881 CG ASP A 60 8.754 12.856 7.073 1.00 0.00 C ATOM 882 OD1 ASP A 60 8.628 12.787 8.314 1.00 0.00 O ATOM 883 OD2 ASP A 60 9.344 13.792 6.495 1.00 0.00 O ATOM 0 H ASP A 60 7.434 9.555 5.284 1.00 0.00 H new ATOM 0 HA ASP A 60 9.843 10.734 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.948 12.129 5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.210 11.433 6.657 1.00 0.00 H new ATOM 888 N LEU A 61 9.112 9.633 8.368 1.00 0.00 N ATOM 889 CA LEU A 61 9.675 9.343 9.682 1.00 0.00 C ATOM 890 C LEU A 61 10.601 8.132 9.623 1.00 0.00 C ATOM 891 O LEU A 61 11.670 8.125 10.234 1.00 0.00 O ATOM 892 CB LEU A 61 8.555 9.095 10.695 1.00 0.00 C ATOM 893 CG LEU A 61 7.363 10.050 10.624 1.00 0.00 C ATOM 894 CD1 LEU A 61 6.271 9.612 11.588 1.00 0.00 C ATOM 895 CD2 LEU A 61 7.802 11.475 10.925 1.00 0.00 C ATOM 0 H LEU A 61 8.164 9.282 8.229 1.00 0.00 H new ATOM 0 HA LEU A 61 10.258 10.207 9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.188 8.077 10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.980 9.150 11.697 1.00 0.00 H new ATOM 0 HG LEU A 61 6.959 10.022 9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.431 10.303 11.524 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.936 8.608 11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.663 9.610 12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.940 12.140 10.870 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.232 11.520 11.926 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.549 11.787 10.195 1.00 0.00 H new ATOM 907 N LEU A 62 10.184 7.111 8.883 1.00 0.00 N ATOM 908 CA LEU A 62 10.976 5.895 8.742 1.00 0.00 C ATOM 909 C LEU A 62 12.428 6.226 8.412 1.00 0.00 C ATOM 910 O LEU A 62 12.709 6.941 7.451 1.00 0.00 O ATOM 911 CB LEU A 62 10.385 5.001 7.650 1.00 0.00 C ATOM 912 CG LEU A 62 9.342 3.982 8.109 1.00 0.00 C ATOM 913 CD1 LEU A 62 8.658 3.341 6.911 1.00 0.00 C ATOM 914 CD2 LEU A 62 9.985 2.920 8.989 1.00 0.00 C ATOM 0 H LEU A 62 9.302 7.101 8.371 1.00 0.00 H new ATOM 0 HA LEU A 62 10.950 5.363 9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.931 5.639 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.201 4.463 7.167 1.00 0.00 H new ATOM 0 HG LEU A 62 8.587 4.504 8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.919 2.619 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.163 4.111 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.401 2.833 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.228 2.203 9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.761 2.402 8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.427 3.393 9.866 1.00 0.00 H new ATOM 926 N GLU A 63 13.347 5.700 9.216 1.00 0.00 N ATOM 927 CA GLU A 63 14.770 5.940 9.009 1.00 0.00 C ATOM 928 C GLU A 63 15.160 5.678 7.557 1.00 0.00 C ATOM 929 O GLU A 63 15.986 6.390 6.986 1.00 0.00 O ATOM 930 CB GLU A 63 15.601 5.053 9.939 1.00 0.00 C ATOM 931 CG GLU A 63 15.408 3.566 9.694 1.00 0.00 C ATOM 932 CD GLU A 63 15.709 2.728 10.922 1.00 0.00 C ATOM 933 OE1 GLU A 63 14.843 2.659 11.819 1.00 0.00 O ATOM 934 OE2 GLU A 63 16.810 2.143 10.986 1.00 0.00 O ATOM 0 H GLU A 63 13.131 5.105 10.016 1.00 0.00 H new ATOM 0 HA GLU A 63 14.973 6.986 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.656 5.299 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.340 5.279 10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.381 3.384 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.055 3.250 8.875 1.00 0.00 H new ATOM 941 N TYR A 64 14.560 4.651 6.966 1.00 0.00 N ATOM 942 CA TYR A 64 14.845 4.292 5.581 1.00 0.00 C ATOM 943 C TYR A 64 13.730 4.766 4.655 1.00 0.00 C ATOM 944 O TYR A 64 13.351 4.070 3.714 1.00 0.00 O ATOM 945 CB TYR A 64 15.022 2.778 5.451 1.00 0.00 C ATOM 946 CG TYR A 64 14.035 1.980 6.272 1.00 0.00 C ATOM 947 CD1 TYR A 64 12.726 1.801 5.839 1.00 0.00 C ATOM 948 CD2 TYR A 64 14.409 1.406 7.480 1.00 0.00 C ATOM 949 CE1 TYR A 64 11.820 1.073 6.586 1.00 0.00 C ATOM 950 CE2 TYR A 64 13.510 0.675 8.233 1.00 0.00 C ATOM 951 CZ TYR A 64 12.217 0.512 7.782 1.00 0.00 C ATOM 952 OH TYR A 64 11.318 -0.214 8.529 1.00 0.00 O ATOM 0 H TYR A 64 13.873 4.052 7.424 1.00 0.00 H new ATOM 0 HA TYR A 64 15.771 4.786 5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 64 14.920 2.498 4.403 1.00 0.00 H new ATOM 0 HB3 TYR A 64 16.034 2.512 5.755 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.412 2.238 4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 64 15.420 1.533 7.837 1.00 0.00 H new ATOM 0 HE1 TYR A 64 10.807 0.944 6.235 1.00 0.00 H new ATOM 0 HE2 TYR A 64 13.818 0.234 9.169 1.00 0.00 H new ATOM 0 HH TYR A 64 11.757 -0.541 9.342 1.00 0.00 H new ATOM 962 N GLY A 65 13.209 5.959 4.928 1.00 0.00 N ATOM 963 CA GLY A 65 12.143 6.508 4.110 1.00 0.00 C ATOM 964 C GLY A 65 12.565 6.714 2.669 1.00 0.00 C ATOM 965 O GLY A 65 11.927 6.203 1.750 1.00 0.00 O ATOM 0 H GLY A 65 13.506 6.555 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.284 5.838 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.820 7.460 4.531 1.00 0.00 H new ATOM 969 N ASN A 66 13.643 7.466 2.472 1.00 0.00 N ATOM 970 CA ASN A 66 14.149 7.740 1.131 1.00 0.00 C ATOM 971 C ASN A 66 14.291 6.450 0.329 1.00 0.00 C ATOM 972 O ASN A 66 14.250 6.465 -0.901 1.00 0.00 O ATOM 973 CB ASN A 66 15.498 8.457 1.209 1.00 0.00 C ATOM 974 CG ASN A 66 16.611 7.544 1.687 1.00 0.00 C ATOM 975 OD1 ASN A 66 17.030 6.632 0.974 1.00 0.00 O ATOM 976 ND2 ASN A 66 17.095 7.786 2.900 1.00 0.00 N ATOM 0 H ASN A 66 14.183 7.896 3.223 1.00 0.00 H new ATOM 0 HA ASN A 66 13.432 8.385 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.753 8.853 0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.415 9.309 1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.844 7.205 3.275 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.717 8.553 3.456 1.00 0.00 H new ATOM 983 N GLN A 67 14.458 5.336 1.035 1.00 0.00 N ATOM 984 CA GLN A 67 14.607 4.038 0.388 1.00 0.00 C ATOM 985 C GLN A 67 13.260 3.516 -0.101 1.00 0.00 C ATOM 986 O GLN A 67 12.999 3.472 -1.303 1.00 0.00 O ATOM 987 CB GLN A 67 15.237 3.033 1.353 1.00 0.00 C ATOM 988 CG GLN A 67 16.745 3.172 1.477 1.00 0.00 C ATOM 989 CD GLN A 67 17.475 2.761 0.214 1.00 0.00 C ATOM 990 OE1 GLN A 67 16.854 2.415 -0.791 1.00 0.00 O ATOM 991 NE2 GLN A 67 18.802 2.797 0.258 1.00 0.00 N ATOM 0 H GLN A 67 14.493 5.306 2.054 1.00 0.00 H new ATOM 0 HA GLN A 67 15.262 4.163 -0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.787 3.157 2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.000 2.023 1.019 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.992 4.207 1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.095 2.561 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 67 19.276 3.090 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.347 2.531 -0.562 1.00 0.00 H new ATOM 1000 N PHE A 68 12.407 3.121 0.839 1.00 0.00 N ATOM 1001 CA PHE A 68 11.087 2.601 0.504 1.00 0.00 C ATOM 1002 C PHE A 68 10.320 3.586 -0.373 1.00 0.00 C ATOM 1003 O PHE A 68 9.484 3.190 -1.184 1.00 0.00 O ATOM 1004 CB PHE A 68 10.292 2.309 1.778 1.00 0.00 C ATOM 1005 CG PHE A 68 10.661 1.008 2.431 1.00 0.00 C ATOM 1006 CD1 PHE A 68 11.989 0.684 2.658 1.00 0.00 C ATOM 1007 CD2 PHE A 68 9.681 0.108 2.817 1.00 0.00 C ATOM 1008 CE1 PHE A 68 12.332 -0.513 3.259 1.00 0.00 C ATOM 1009 CE2 PHE A 68 10.018 -1.089 3.418 1.00 0.00 C ATOM 1010 CZ PHE A 68 11.345 -1.401 3.639 1.00 0.00 C ATOM 0 H PHE A 68 12.607 3.151 1.839 1.00 0.00 H new ATOM 0 HA PHE A 68 11.221 1.674 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.449 3.120 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.229 2.297 1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.765 1.374 2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.641 0.345 2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.371 -0.753 3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.244 -1.781 3.715 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.610 -2.337 4.108 1.00 0.00 H new ATOM 1020 N GLN A 69 10.612 4.872 -0.203 1.00 0.00 N ATOM 1021 CA GLN A 69 9.950 5.914 -0.978 1.00 0.00 C ATOM 1022 C GLN A 69 10.171 5.705 -2.472 1.00 0.00 C ATOM 1023 O GLN A 69 9.223 5.713 -3.257 1.00 0.00 O ATOM 1024 CB GLN A 69 10.464 7.293 -0.562 1.00 0.00 C ATOM 1025 CG GLN A 69 9.656 7.932 0.556 1.00 0.00 C ATOM 1026 CD GLN A 69 10.101 9.349 0.861 1.00 0.00 C ATOM 1027 OE1 GLN A 69 10.082 10.219 -0.009 1.00 0.00 O ATOM 1028 NE2 GLN A 69 10.504 9.588 2.104 1.00 0.00 N ATOM 0 H GLN A 69 11.302 5.216 0.464 1.00 0.00 H new ATOM 0 HA GLN A 69 8.880 5.857 -0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.502 7.203 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.453 7.953 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.602 7.938 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.746 7.325 1.457 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.503 8.837 2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.814 10.523 2.369 1.00 0.00 H new ATOM 1037 N ASP A 70 11.429 5.520 -2.859 1.00 0.00 N ATOM 1038 CA ASP A 70 11.775 5.308 -4.259 1.00 0.00 C ATOM 1039 C ASP A 70 11.159 4.014 -4.782 1.00 0.00 C ATOM 1040 O ASP A 70 10.517 4.000 -5.831 1.00 0.00 O ATOM 1041 CB ASP A 70 13.294 5.271 -4.431 1.00 0.00 C ATOM 1042 CG ASP A 70 13.716 5.408 -5.881 1.00 0.00 C ATOM 1043 OD1 ASP A 70 12.860 5.215 -6.769 1.00 0.00 O ATOM 1044 OD2 ASP A 70 14.903 5.708 -6.127 1.00 0.00 O ATOM 0 H ASP A 70 12.226 5.513 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 70 11.372 6.140 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 70 13.742 6.075 -3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.679 4.333 -4.030 1.00 0.00 H new ATOM 1049 N ALA A 71 11.361 2.928 -4.043 1.00 0.00 N ATOM 1050 CA ALA A 71 10.825 1.629 -4.431 1.00 0.00 C ATOM 1051 C ALA A 71 9.405 1.760 -4.969 1.00 0.00 C ATOM 1052 O ALA A 71 9.103 1.302 -6.072 1.00 0.00 O ATOM 1053 CB ALA A 71 10.858 0.671 -3.250 1.00 0.00 C ATOM 0 H ALA A 71 11.892 2.922 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 71 11.452 1.228 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.455 -0.295 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.887 0.545 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.256 1.076 -2.436 1.00 0.00 H new ATOM 1059 N LEU A 72 8.535 2.388 -4.185 1.00 0.00 N ATOM 1060 CA LEU A 72 7.145 2.579 -4.583 1.00 0.00 C ATOM 1061 C LEU A 72 7.049 3.472 -5.816 1.00 0.00 C ATOM 1062 O LEU A 72 6.275 3.200 -6.733 1.00 0.00 O ATOM 1063 CB LEU A 72 6.344 3.191 -3.432 1.00 0.00 C ATOM 1064 CG LEU A 72 5.934 2.231 -2.315 1.00 0.00 C ATOM 1065 CD1 LEU A 72 5.584 3.001 -1.051 1.00 0.00 C ATOM 1066 CD2 LEU A 72 4.762 1.366 -2.757 1.00 0.00 C ATOM 0 H LEU A 72 8.768 2.774 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 72 6.726 1.604 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.933 3.996 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.442 3.644 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 72 6.779 1.578 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.295 2.301 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.451 3.575 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.756 3.679 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.484 0.689 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.913 2.003 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.048 0.786 -3.634 1.00 0.00 H new ATOM 1078 N TYR A 73 7.841 4.538 -5.830 1.00 0.00 N ATOM 1079 CA TYR A 73 7.846 5.472 -6.950 1.00 0.00 C ATOM 1080 C TYR A 73 8.192 4.758 -8.254 1.00 0.00 C ATOM 1081 O TYR A 73 7.795 5.189 -9.336 1.00 0.00 O ATOM 1082 CB TYR A 73 8.844 6.602 -6.695 1.00 0.00 C ATOM 1083 CG TYR A 73 9.221 7.370 -7.942 1.00 0.00 C ATOM 1084 CD1 TYR A 73 10.299 6.976 -8.725 1.00 0.00 C ATOM 1085 CD2 TYR A 73 8.499 8.490 -8.336 1.00 0.00 C ATOM 1086 CE1 TYR A 73 10.647 7.676 -9.864 1.00 0.00 C ATOM 1087 CE2 TYR A 73 8.840 9.195 -9.475 1.00 0.00 C ATOM 1088 CZ TYR A 73 9.914 8.784 -10.235 1.00 0.00 C ATOM 1089 OH TYR A 73 10.257 9.483 -11.369 1.00 0.00 O ATOM 0 H TYR A 73 8.488 4.777 -5.079 1.00 0.00 H new ATOM 0 HA TYR A 73 6.845 5.894 -7.042 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.419 7.293 -5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.747 6.184 -6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.874 6.108 -8.438 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.657 8.815 -7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.489 7.357 -10.461 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.268 10.063 -9.768 1.00 0.00 H new ATOM 0 HH TYR A 73 9.640 10.235 -11.489 1.00 0.00 H new ATOM 1099 N LYS A 74 8.934 3.661 -8.141 1.00 0.00 N ATOM 1100 CA LYS A 74 9.333 2.884 -9.308 1.00 0.00 C ATOM 1101 C LYS A 74 8.207 1.957 -9.755 1.00 0.00 C ATOM 1102 O LYS A 74 7.945 1.814 -10.949 1.00 0.00 O ATOM 1103 CB LYS A 74 10.588 2.065 -8.996 1.00 0.00 C ATOM 1104 CG LYS A 74 11.794 2.915 -8.634 1.00 0.00 C ATOM 1105 CD LYS A 74 13.039 2.064 -8.446 1.00 0.00 C ATOM 1106 CE LYS A 74 14.300 2.915 -8.445 1.00 0.00 C ATOM 1107 NZ LYS A 74 15.514 2.107 -8.143 1.00 0.00 N ATOM 0 H LYS A 74 9.271 3.290 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 74 9.552 3.579 -10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.372 1.385 -8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.834 1.449 -9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.970 3.651 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.589 3.468 -7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.968 1.516 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.099 1.324 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.415 3.394 -9.417 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.201 3.711 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.352 2.723 -8.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.415 1.670 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.624 1.363 -8.862 1.00 0.00 H new ATOM 1121 N MET A 75 7.543 1.331 -8.789 1.00 0.00 N ATOM 1122 CA MET A 75 6.443 0.420 -9.085 1.00 0.00 C ATOM 1123 C MET A 75 5.212 1.188 -9.555 1.00 0.00 C ATOM 1124 O MET A 75 4.427 0.690 -10.363 1.00 0.00 O ATOM 1125 CB MET A 75 6.097 -0.414 -7.849 1.00 0.00 C ATOM 1126 CG MET A 75 7.291 -1.139 -7.252 1.00 0.00 C ATOM 1127 SD MET A 75 6.825 -2.656 -6.395 1.00 0.00 S ATOM 1128 CE MET A 75 5.588 -2.036 -5.258 1.00 0.00 C ATOM 0 H MET A 75 7.747 1.438 -7.795 1.00 0.00 H new ATOM 0 HA MET A 75 6.762 -0.246 -9.887 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.662 0.238 -7.091 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.334 -1.146 -8.116 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.000 -1.377 -8.045 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.803 -0.475 -6.555 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.358 -2.802 -4.518 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.969 -1.148 -4.755 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.683 -1.780 -5.809 1.00 0.00 H new ATOM 1138 N THR A 76 5.049 2.405 -9.045 1.00 0.00 N ATOM 1139 CA THR A 76 3.913 3.241 -9.412 1.00 0.00 C ATOM 1140 C THR A 76 4.266 4.174 -10.565 1.00 0.00 C ATOM 1141 O THR A 76 3.484 4.346 -11.498 1.00 0.00 O ATOM 1142 CB THR A 76 3.426 4.083 -8.217 1.00 0.00 C ATOM 1143 OG1 THR A 76 4.319 5.179 -7.993 1.00 0.00 O ATOM 1144 CG2 THR A 76 3.333 3.233 -6.958 1.00 0.00 C ATOM 0 H THR A 76 5.689 2.833 -8.377 1.00 0.00 H new ATOM 0 HA THR A 76 3.114 2.569 -9.724 1.00 0.00 H new ATOM 0 HB THR A 76 2.433 4.466 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.104 4.865 -7.498 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.987 3.849 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.630 2.416 -7.121 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.315 2.824 -6.722 1.00 0.00 H new ATOM 1152 N GLY A 77 5.451 4.773 -10.494 1.00 0.00 N ATOM 1153 CA GLY A 77 5.887 5.680 -11.539 1.00 0.00 C ATOM 1154 C GLY A 77 5.890 7.127 -11.087 1.00 0.00 C ATOM 1155 O GLY A 77 6.652 7.944 -11.603 1.00 0.00 O ATOM 0 H GLY A 77 6.116 4.646 -9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.890 5.402 -11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.232 5.574 -12.404 1.00 0.00 H new ATOM 1159 N GLU A 78 5.034 7.445 -10.121 1.00 0.00 N ATOM 1160 CA GLU A 78 4.939 8.805 -9.602 1.00 0.00 C ATOM 1161 C GLU A 78 5.237 8.838 -8.106 1.00 0.00 C ATOM 1162 O GLU A 78 5.598 7.822 -7.511 1.00 0.00 O ATOM 1163 CB GLU A 78 3.547 9.380 -9.868 1.00 0.00 C ATOM 1164 CG GLU A 78 2.442 8.688 -9.088 1.00 0.00 C ATOM 1165 CD GLU A 78 1.080 8.855 -9.732 1.00 0.00 C ATOM 1166 OE1 GLU A 78 0.667 10.012 -9.955 1.00 0.00 O ATOM 1167 OE2 GLU A 78 0.426 7.828 -10.013 1.00 0.00 O ATOM 0 H GLU A 78 4.397 6.780 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 78 5.681 9.416 -10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.548 10.441 -9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.330 9.305 -10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.672 7.626 -9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.412 9.089 -8.075 1.00 0.00 H new ATOM 1174 N ARG A 79 5.084 10.013 -7.504 1.00 0.00 N ATOM 1175 CA ARG A 79 5.339 10.180 -6.078 1.00 0.00 C ATOM 1176 C ARG A 79 4.224 10.987 -5.418 1.00 0.00 C ATOM 1177 O ARG A 79 4.485 11.893 -4.625 1.00 0.00 O ATOM 1178 CB ARG A 79 6.685 10.872 -5.856 1.00 0.00 C ATOM 1179 CG ARG A 79 6.924 12.050 -6.785 1.00 0.00 C ATOM 1180 CD ARG A 79 6.393 13.346 -6.191 1.00 0.00 C ATOM 1181 NE ARG A 79 6.737 14.505 -7.010 1.00 0.00 N ATOM 1182 CZ ARG A 79 6.813 15.743 -6.536 1.00 0.00 C ATOM 1183 NH1 ARG A 79 6.570 15.982 -5.255 1.00 0.00 N ATOM 1184 NH2 ARG A 79 7.131 16.746 -7.344 1.00 0.00 N ATOM 0 H ARG A 79 4.785 10.863 -7.981 1.00 0.00 H new ATOM 0 HA ARG A 79 5.368 9.191 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.741 11.217 -4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.485 10.144 -5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.992 12.149 -6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.440 11.863 -7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.310 13.282 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.798 13.478 -5.188 1.00 0.00 H new ATOM 0 HE ARG A 79 6.929 14.355 -8.000 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.324 15.214 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.629 16.934 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.317 16.567 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.189 17.697 -6.979 1.00 0.00 H new ATOM 1198 N THR A 80 2.981 10.652 -5.750 1.00 0.00 N ATOM 1199 CA THR A 80 1.828 11.346 -5.192 1.00 0.00 C ATOM 1200 C THR A 80 1.341 10.666 -3.918 1.00 0.00 C ATOM 1201 O THR A 80 0.797 9.562 -3.960 1.00 0.00 O ATOM 1202 CB THR A 80 0.667 11.410 -6.202 1.00 0.00 C ATOM 1203 OG1 THR A 80 0.171 10.092 -6.462 1.00 0.00 O ATOM 1204 CG2 THR A 80 1.118 12.053 -7.505 1.00 0.00 C ATOM 0 H THR A 80 2.748 9.904 -6.403 1.00 0.00 H new ATOM 0 HA THR A 80 2.153 12.360 -4.959 1.00 0.00 H new ATOM 0 HB THR A 80 -0.128 12.019 -5.771 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.077 9.605 -5.617 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.281 12.087 -8.203 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.468 13.066 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.928 11.467 -7.939 1.00 0.00 H new ATOM 1212 N VAL A 81 1.539 11.331 -2.784 1.00 0.00 N ATOM 1213 CA VAL A 81 1.117 10.791 -1.497 1.00 0.00 C ATOM 1214 C VAL A 81 -0.203 11.407 -1.048 1.00 0.00 C ATOM 1215 O VAL A 81 -0.544 12.534 -1.406 1.00 0.00 O ATOM 1216 CB VAL A 81 2.181 11.035 -0.410 1.00 0.00 C ATOM 1217 CG1 VAL A 81 3.484 10.336 -0.771 1.00 0.00 C ATOM 1218 CG2 VAL A 81 2.405 12.526 -0.209 1.00 0.00 C ATOM 0 H VAL A 81 1.989 12.245 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 81 0.986 9.717 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 81 1.819 10.615 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.224 10.520 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.309 9.264 -0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.854 10.723 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.160 12.680 0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.745 12.972 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.471 12.996 0.098 1.00 0.00 H new ATOM 1228 N PRO A 82 -0.965 10.651 -0.243 1.00 0.00 N ATOM 1229 CA PRO A 82 -0.570 9.307 0.189 1.00 0.00 C ATOM 1230 C PRO A 82 -0.603 8.298 -0.953 1.00 0.00 C ATOM 1231 O PRO A 82 -0.867 8.654 -2.102 1.00 0.00 O ATOM 1232 CB PRO A 82 -1.618 8.952 1.247 1.00 0.00 C ATOM 1233 CG PRO A 82 -2.809 9.773 0.890 1.00 0.00 C ATOM 1234 CD PRO A 82 -2.272 11.050 0.306 1.00 0.00 C ATOM 0 HA PRO A 82 0.455 9.283 0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.852 7.887 1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.262 9.186 2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.442 9.251 0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.422 9.973 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.929 11.445 -0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.169 11.827 1.064 1.00 0.00 H new ATOM 1242 N ARG A 83 -0.333 7.037 -0.630 1.00 0.00 N ATOM 1243 CA ARG A 83 -0.331 5.976 -1.630 1.00 0.00 C ATOM 1244 C ARG A 83 -1.178 4.793 -1.170 1.00 0.00 C ATOM 1245 O ARG A 83 -0.821 4.094 -0.221 1.00 0.00 O ATOM 1246 CB ARG A 83 1.100 5.514 -1.912 1.00 0.00 C ATOM 1247 CG ARG A 83 2.109 6.650 -1.957 1.00 0.00 C ATOM 1248 CD ARG A 83 3.473 6.164 -2.422 1.00 0.00 C ATOM 1249 NE ARG A 83 3.545 6.044 -3.875 1.00 0.00 N ATOM 1250 CZ ARG A 83 3.446 7.077 -4.704 1.00 0.00 C ATOM 1251 NH1 ARG A 83 3.272 8.301 -4.226 1.00 0.00 N ATOM 1252 NH2 ARG A 83 3.522 6.887 -6.015 1.00 0.00 N ATOM 0 H ARG A 83 -0.113 6.726 0.316 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.764 6.375 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.401 4.802 -1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.121 4.983 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.751 7.430 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.199 7.098 -0.967 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.241 6.856 -2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.688 5.197 -1.967 1.00 0.00 H new ATOM 0 HE ARG A 83 3.679 5.116 -4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.214 8.452 -3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.196 9.092 -4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.657 5.947 -6.387 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.446 7.681 -6.651 1.00 0.00 H new ATOM 1266 N ILE A 84 -2.300 4.577 -1.847 1.00 0.00 N ATOM 1267 CA ILE A 84 -3.197 3.479 -1.507 1.00 0.00 C ATOM 1268 C ILE A 84 -2.965 2.278 -2.418 1.00 0.00 C ATOM 1269 O ILE A 84 -2.894 2.416 -3.639 1.00 0.00 O ATOM 1270 CB ILE A 84 -4.673 3.906 -1.606 1.00 0.00 C ATOM 1271 CG1 ILE A 84 -4.963 5.047 -0.629 1.00 0.00 C ATOM 1272 CG2 ILE A 84 -5.587 2.721 -1.332 1.00 0.00 C ATOM 1273 CD1 ILE A 84 -4.761 6.422 -1.227 1.00 0.00 C ATOM 0 H ILE A 84 -2.610 5.147 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.977 3.199 -0.477 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.866 4.262 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.991 4.960 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.318 4.941 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.627 3.039 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.395 1.936 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.395 2.337 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.985 7.181 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.727 6.528 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.426 6.548 -2.081 1.00 0.00 H new ATOM 1285 N PHE A 85 -2.850 1.099 -1.815 1.00 0.00 N ATOM 1286 CA PHE A 85 -2.627 -0.128 -2.572 1.00 0.00 C ATOM 1287 C PHE A 85 -3.659 -1.189 -2.203 1.00 0.00 C ATOM 1288 O PHE A 85 -3.733 -1.628 -1.055 1.00 0.00 O ATOM 1289 CB PHE A 85 -1.216 -0.661 -2.315 1.00 0.00 C ATOM 1290 CG PHE A 85 -0.153 0.051 -3.102 1.00 0.00 C ATOM 1291 CD1 PHE A 85 0.013 1.422 -2.984 1.00 0.00 C ATOM 1292 CD2 PHE A 85 0.680 -0.650 -3.959 1.00 0.00 C ATOM 1293 CE1 PHE A 85 0.989 2.080 -3.707 1.00 0.00 C ATOM 1294 CE2 PHE A 85 1.659 0.003 -4.684 1.00 0.00 C ATOM 1295 CZ PHE A 85 1.814 1.369 -4.558 1.00 0.00 C ATOM 0 H PHE A 85 -2.907 0.967 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.733 0.103 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.991 -0.572 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.187 -1.723 -2.559 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.628 1.982 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.563 -1.719 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.107 3.149 -3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.302 -0.555 -5.348 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.579 1.881 -5.123 1.00 0.00 H new ATOM 1305 N VAL A 86 -4.456 -1.598 -3.186 1.00 0.00 N ATOM 1306 CA VAL A 86 -5.484 -2.608 -2.966 1.00 0.00 C ATOM 1307 C VAL A 86 -5.074 -3.949 -3.564 1.00 0.00 C ATOM 1308 O VAL A 86 -5.001 -4.100 -4.783 1.00 0.00 O ATOM 1309 CB VAL A 86 -6.833 -2.178 -3.574 1.00 0.00 C ATOM 1310 CG1 VAL A 86 -7.872 -3.275 -3.399 1.00 0.00 C ATOM 1311 CG2 VAL A 86 -7.308 -0.876 -2.948 1.00 0.00 C ATOM 0 H VAL A 86 -4.409 -1.245 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.597 -2.714 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.694 -2.011 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.818 -2.953 -3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.532 -4.181 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.012 -3.478 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.262 -0.587 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.431 -1.013 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.571 -0.094 -3.132 1.00 0.00 H new ATOM 1321 N ASN A 87 -4.807 -4.920 -2.697 1.00 0.00 N ATOM 1322 CA ASN A 87 -4.403 -6.250 -3.140 1.00 0.00 C ATOM 1323 C ASN A 87 -3.180 -6.173 -4.047 1.00 0.00 C ATOM 1324 O ASN A 87 -3.122 -6.829 -5.086 1.00 0.00 O ATOM 1325 CB ASN A 87 -5.556 -6.937 -3.876 1.00 0.00 C ATOM 1326 CG ASN A 87 -5.480 -8.449 -3.786 1.00 0.00 C ATOM 1327 OD1 ASN A 87 -4.398 -9.032 -3.855 1.00 0.00 O ATOM 1328 ND2 ASN A 87 -6.632 -9.091 -3.631 1.00 0.00 N ATOM 0 H ASN A 87 -4.863 -4.811 -1.684 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.143 -6.836 -2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.504 -6.598 -3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.545 -6.637 -4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.644 -10.109 -3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.505 -8.566 -3.579 1.00 0.00 H new ATOM 1335 N GLY A 88 -2.202 -5.366 -3.646 1.00 0.00 N ATOM 1336 CA GLY A 88 -0.992 -5.219 -4.434 1.00 0.00 C ATOM 1337 C GLY A 88 -1.254 -4.587 -5.787 1.00 0.00 C ATOM 1338 O GLY A 88 -0.687 -5.005 -6.797 1.00 0.00 O ATOM 0 H GLY A 88 -2.226 -4.812 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.276 -4.609 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.534 -6.198 -4.576 1.00 0.00 H new ATOM 1342 N THR A 89 -2.119 -3.577 -5.809 1.00 0.00 N ATOM 1343 CA THR A 89 -2.458 -2.889 -7.048 1.00 0.00 C ATOM 1344 C THR A 89 -2.794 -1.425 -6.790 1.00 0.00 C ATOM 1345 O THR A 89 -3.504 -1.099 -5.838 1.00 0.00 O ATOM 1346 CB THR A 89 -3.650 -3.561 -7.756 1.00 0.00 C ATOM 1347 OG1 THR A 89 -3.268 -4.854 -8.238 1.00 0.00 O ATOM 1348 CG2 THR A 89 -4.142 -2.707 -8.915 1.00 0.00 C ATOM 0 H THR A 89 -2.597 -3.218 -4.983 1.00 0.00 H new ATOM 0 HA THR A 89 -1.581 -2.949 -7.693 1.00 0.00 H new ATOM 0 HB THR A 89 -4.460 -3.668 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.032 -5.275 -8.685 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.984 -3.202 -9.400 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.459 -1.734 -8.541 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.336 -2.573 -9.636 1.00 0.00 H new ATOM 1356 N PHE A 90 -2.280 -0.545 -7.643 1.00 0.00 N ATOM 1357 CA PHE A 90 -2.525 0.886 -7.506 1.00 0.00 C ATOM 1358 C PHE A 90 -3.889 1.261 -8.080 1.00 0.00 C ATOM 1359 O PHE A 90 -4.158 1.043 -9.261 1.00 0.00 O ATOM 1360 CB PHE A 90 -1.426 1.683 -8.210 1.00 0.00 C ATOM 1361 CG PHE A 90 -1.328 3.109 -7.747 1.00 0.00 C ATOM 1362 CD1 PHE A 90 -0.518 3.449 -6.675 1.00 0.00 C ATOM 1363 CD2 PHE A 90 -2.047 4.108 -8.382 1.00 0.00 C ATOM 1364 CE1 PHE A 90 -0.426 4.759 -6.246 1.00 0.00 C ATOM 1365 CE2 PHE A 90 -1.959 5.421 -7.958 1.00 0.00 C ATOM 1366 CZ PHE A 90 -1.148 5.746 -6.888 1.00 0.00 C ATOM 0 H PHE A 90 -1.691 -0.798 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.517 1.131 -6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.468 1.189 -8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.611 1.670 -9.284 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.048 2.681 -6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.684 3.859 -9.218 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.210 5.011 -5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.523 6.191 -8.463 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.079 6.771 -6.554 1.00 0.00 H new ATOM 1376 N ILE A 91 -4.745 1.825 -7.235 1.00 0.00 N ATOM 1377 CA ILE A 91 -6.079 2.231 -7.657 1.00 0.00 C ATOM 1378 C ILE A 91 -6.218 3.749 -7.659 1.00 0.00 C ATOM 1379 O ILE A 91 -7.048 4.307 -8.375 1.00 0.00 O ATOM 1380 CB ILE A 91 -7.166 1.629 -6.746 1.00 0.00 C ATOM 1381 CG1 ILE A 91 -7.127 2.288 -5.366 1.00 0.00 C ATOM 1382 CG2 ILE A 91 -6.981 0.123 -6.626 1.00 0.00 C ATOM 1383 CD1 ILE A 91 -5.929 1.883 -4.536 1.00 0.00 C ATOM 0 H ILE A 91 -4.538 2.011 -6.254 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.216 1.855 -8.671 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.142 1.821 -7.192 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.124 3.371 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.037 2.032 -4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.756 -0.288 -5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.053 -0.332 -7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.001 -0.090 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.967 2.389 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.942 0.804 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.014 2.164 -5.057 1.00 0.00 H new ATOM 1395 N GLY A 92 -5.396 4.414 -6.853 1.00 0.00 N ATOM 1396 CA GLY A 92 -5.441 5.863 -6.777 1.00 0.00 C ATOM 1397 C GLY A 92 -4.932 6.391 -5.451 1.00 0.00 C ATOM 1398 O GLY A 92 -4.485 5.623 -4.600 1.00 0.00 O ATOM 0 H GLY A 92 -4.699 3.975 -6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.844 6.285 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.466 6.200 -6.929 1.00 0.00 H new ATOM 1402 N GLY A 93 -5.000 7.707 -5.274 1.00 0.00 N ATOM 1403 CA GLY A 93 -4.537 8.314 -4.040 1.00 0.00 C ATOM 1404 C GLY A 93 -5.676 8.655 -3.099 1.00 0.00 C ATOM 1405 O GLY A 93 -6.741 8.040 -3.154 1.00 0.00 O ATOM 0 H GLY A 93 -5.367 8.363 -5.963 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.848 7.633 -3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.978 9.220 -4.272 1.00 0.00 H new ATOM 1409 N ALA A 94 -5.452 9.636 -2.231 1.00 0.00 N ATOM 1410 CA ALA A 94 -6.467 10.057 -1.275 1.00 0.00 C ATOM 1411 C ALA A 94 -7.795 10.339 -1.971 1.00 0.00 C ATOM 1412 O ALA A 94 -8.791 9.656 -1.732 1.00 0.00 O ATOM 1413 CB ALA A 94 -5.997 11.288 -0.513 1.00 0.00 C ATOM 0 H ALA A 94 -4.575 10.154 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.623 9.243 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.766 11.591 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.078 11.054 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.811 12.101 -1.215 1.00 0.00 H new ATOM 1419 N THR A 95 -7.802 11.350 -2.834 1.00 0.00 N ATOM 1420 CA THR A 95 -9.007 11.723 -3.564 1.00 0.00 C ATOM 1421 C THR A 95 -9.588 10.529 -4.312 1.00 0.00 C ATOM 1422 O THR A 95 -10.646 10.014 -3.951 1.00 0.00 O ATOM 1423 CB THR A 95 -8.727 12.857 -4.568 1.00 0.00 C ATOM 1424 OG1 THR A 95 -7.840 13.819 -3.986 1.00 0.00 O ATOM 1425 CG2 THR A 95 -10.020 13.541 -4.987 1.00 0.00 C ATOM 0 H THR A 95 -6.986 11.925 -3.044 1.00 0.00 H new ATOM 0 HA THR A 95 -9.729 12.072 -2.826 1.00 0.00 H new ATOM 0 HB THR A 95 -8.261 12.422 -5.452 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.666 14.536 -4.631 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.797 14.338 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.681 12.813 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.509 13.963 -4.109 1.00 0.00 H new ATOM 1433 N ASP A 96 -8.890 10.094 -5.356 1.00 0.00 N ATOM 1434 CA ASP A 96 -9.337 8.958 -6.154 1.00 0.00 C ATOM 1435 C ASP A 96 -9.900 7.856 -5.263 1.00 0.00 C ATOM 1436 O ASP A 96 -11.079 7.509 -5.355 1.00 0.00 O ATOM 1437 CB ASP A 96 -8.181 8.412 -6.994 1.00 0.00 C ATOM 1438 CG ASP A 96 -8.661 7.624 -8.196 1.00 0.00 C ATOM 1439 OD1 ASP A 96 -9.332 6.588 -7.998 1.00 0.00 O ATOM 1440 OD2 ASP A 96 -8.367 8.042 -9.335 1.00 0.00 O ATOM 0 H ASP A 96 -8.013 10.511 -5.669 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.129 9.302 -6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.558 9.240 -7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.553 7.774 -6.372 1.00 0.00 H new ATOM 1445 N THR A 97 -9.050 7.306 -4.401 1.00 0.00 N ATOM 1446 CA THR A 97 -9.462 6.241 -3.496 1.00 0.00 C ATOM 1447 C THR A 97 -10.794 6.569 -2.831 1.00 0.00 C ATOM 1448 O THR A 97 -11.666 5.709 -2.706 1.00 0.00 O ATOM 1449 CB THR A 97 -8.404 5.991 -2.405 1.00 0.00 C ATOM 1450 OG1 THR A 97 -7.191 5.515 -2.998 1.00 0.00 O ATOM 1451 CG2 THR A 97 -8.907 4.980 -1.385 1.00 0.00 C ATOM 0 H THR A 97 -8.072 7.581 -4.311 1.00 0.00 H new ATOM 0 HA THR A 97 -9.572 5.339 -4.098 1.00 0.00 H new ATOM 0 HB THR A 97 -8.212 6.934 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.732 6.257 -3.444 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.143 4.820 -0.624 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.814 5.359 -0.914 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.125 4.036 -1.885 1.00 0.00 H new ATOM 1459 N HIS A 98 -10.945 7.819 -2.405 1.00 0.00 N ATOM 1460 CA HIS A 98 -12.173 8.262 -1.753 1.00 0.00 C ATOM 1461 C HIS A 98 -13.342 8.250 -2.732 1.00 0.00 C ATOM 1462 O HIS A 98 -14.473 7.934 -2.360 1.00 0.00 O ATOM 1463 CB HIS A 98 -11.991 9.665 -1.174 1.00 0.00 C ATOM 1464 CG HIS A 98 -13.194 10.170 -0.439 1.00 0.00 C ATOM 1465 ND1 HIS A 98 -14.263 9.367 -0.104 1.00 0.00 N ATOM 1466 CD2 HIS A 98 -13.492 11.406 0.028 1.00 0.00 C ATOM 1467 CE1 HIS A 98 -15.168 10.087 0.535 1.00 0.00 C ATOM 1468 NE2 HIS A 98 -14.724 11.327 0.629 1.00 0.00 N ATOM 0 H HIS A 98 -10.233 8.543 -2.499 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.395 7.569 -0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -11.137 9.662 -0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -11.754 10.355 -1.984 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -14.343 8.373 -0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -12.876 12.289 -0.057 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -16.111 9.723 0.916 1.00 0.00 H new ATOM 1476 N ARG A 99 -13.063 8.598 -3.984 1.00 0.00 N ATOM 1477 CA ARG A 99 -14.093 8.630 -5.016 1.00 0.00 C ATOM 1478 C ARG A 99 -14.546 7.218 -5.375 1.00 0.00 C ATOM 1479 O ARG A 99 -15.735 6.969 -5.581 1.00 0.00 O ATOM 1480 CB ARG A 99 -13.571 9.343 -6.265 1.00 0.00 C ATOM 1481 CG ARG A 99 -14.672 9.885 -7.161 1.00 0.00 C ATOM 1482 CD ARG A 99 -15.092 8.865 -8.208 1.00 0.00 C ATOM 1483 NE ARG A 99 -16.473 9.060 -8.640 1.00 0.00 N ATOM 1484 CZ ARG A 99 -16.831 9.909 -9.596 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -15.914 10.637 -10.218 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -18.109 10.030 -9.933 1.00 0.00 N ATOM 0 H ARG A 99 -12.133 8.862 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.949 9.179 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.924 10.166 -5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.956 8.650 -6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.534 10.160 -6.554 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.327 10.793 -7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.429 8.937 -9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.978 7.860 -7.801 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.203 8.514 -8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.931 10.546 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -16.192 11.288 -10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -18.817 9.471 -9.457 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -18.383 10.682 -10.668 1.00 0.00 H new ATOM 1500 N LEU A 100 -13.592 6.297 -5.448 1.00 0.00 N ATOM 1501 CA LEU A 100 -13.892 4.909 -5.783 1.00 0.00 C ATOM 1502 C LEU A 100 -14.965 4.345 -4.857 1.00 0.00 C ATOM 1503 O LEU A 100 -15.983 3.824 -5.314 1.00 0.00 O ATOM 1504 CB LEU A 100 -12.625 4.056 -5.693 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.482 4.452 -6.628 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -10.202 3.727 -6.243 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.849 4.157 -8.075 1.00 0.00 C ATOM 0 H LEU A 100 -12.604 6.486 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.269 4.882 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.258 4.093 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.893 3.020 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.312 5.524 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.400 4.021 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.929 3.989 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.359 2.651 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.024 4.445 -8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.047 3.091 -8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.740 4.723 -8.347 1.00 0.00 H new ATOM 1519 N HIS A 101 -14.732 4.455 -3.553 1.00 0.00 N ATOM 1520 CA HIS A 101 -15.680 3.959 -2.562 1.00 0.00 C ATOM 1521 C HIS A 101 -17.088 4.469 -2.854 1.00 0.00 C ATOM 1522 O HIS A 101 -18.057 3.711 -2.806 1.00 0.00 O ATOM 1523 CB HIS A 101 -15.251 4.385 -1.158 1.00 0.00 C ATOM 1524 CG HIS A 101 -16.195 3.942 -0.083 1.00 0.00 C ATOM 1525 ND1 HIS A 101 -16.401 2.617 0.239 1.00 0.00 N ATOM 1526 CD2 HIS A 101 -16.991 4.656 0.747 1.00 0.00 C ATOM 1527 CE1 HIS A 101 -17.283 2.535 1.219 1.00 0.00 C ATOM 1528 NE2 HIS A 101 -17.656 3.759 1.546 1.00 0.00 N ATOM 0 H HIS A 101 -13.895 4.883 -3.158 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.689 2.870 -2.616 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -14.261 3.979 -0.951 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -15.163 5.471 -1.128 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -17.085 5.731 0.775 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -17.638 1.623 1.675 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -18.329 3.999 2.274 1.00 0.00 H new ATOM 1536 N LYS A 102 -17.194 5.759 -3.155 1.00 0.00 N ATOM 1537 CA LYS A 102 -18.482 6.372 -3.455 1.00 0.00 C ATOM 1538 C LYS A 102 -19.182 5.637 -4.593 1.00 0.00 C ATOM 1539 O LYS A 102 -20.244 5.045 -4.401 1.00 0.00 O ATOM 1540 CB LYS A 102 -18.296 7.845 -3.824 1.00 0.00 C ATOM 1541 CG LYS A 102 -17.638 8.668 -2.730 1.00 0.00 C ATOM 1542 CD LYS A 102 -18.067 10.124 -2.792 1.00 0.00 C ATOM 1543 CE LYS A 102 -19.459 10.321 -2.214 1.00 0.00 C ATOM 1544 NZ LYS A 102 -20.063 11.611 -2.647 1.00 0.00 N ATOM 0 H LYS A 102 -16.402 6.401 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.105 6.303 -2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.692 7.911 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.269 8.278 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.897 8.253 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.554 8.603 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.354 10.738 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -18.050 10.465 -3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.101 9.497 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.408 10.292 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.012 11.707 -2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -19.464 12.399 -2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.136 11.629 -3.684 1.00 0.00 H new ATOM 1558 N GLU A 103 -18.580 5.678 -5.778 1.00 0.00 N ATOM 1559 CA GLU A 103 -19.147 5.014 -6.946 1.00 0.00 C ATOM 1560 C GLU A 103 -19.284 3.514 -6.706 1.00 0.00 C ATOM 1561 O GLU A 103 -20.143 2.856 -7.293 1.00 0.00 O ATOM 1562 CB GLU A 103 -18.274 5.267 -8.177 1.00 0.00 C ATOM 1563 CG GLU A 103 -18.408 6.672 -8.740 1.00 0.00 C ATOM 1564 CD GLU A 103 -19.512 6.783 -9.774 1.00 0.00 C ATOM 1565 OE1 GLU A 103 -19.758 5.788 -10.487 1.00 0.00 O ATOM 1566 OE2 GLU A 103 -20.128 7.865 -9.871 1.00 0.00 O ATOM 0 H GLU A 103 -17.701 6.164 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.140 5.428 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.231 5.087 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.537 4.547 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.607 7.368 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.462 6.971 -9.191 1.00 0.00 H new ATOM 1573 N GLY A 104 -18.431 2.978 -5.838 1.00 0.00 N ATOM 1574 CA GLY A 104 -18.473 1.559 -5.536 1.00 0.00 C ATOM 1575 C GLY A 104 -17.417 0.775 -6.289 1.00 0.00 C ATOM 1576 O GLY A 104 -17.723 -0.220 -6.947 1.00 0.00 O ATOM 0 H GLY A 104 -17.712 3.501 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.334 1.414 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.459 1.167 -5.785 1.00 0.00 H new ATOM 1580 N LYS A 105 -16.169 1.222 -6.194 1.00 0.00 N ATOM 1581 CA LYS A 105 -15.063 0.556 -6.872 1.00 0.00 C ATOM 1582 C LYS A 105 -13.924 0.268 -5.900 1.00 0.00 C ATOM 1583 O LYS A 105 -12.909 -0.321 -6.274 1.00 0.00 O ATOM 1584 CB LYS A 105 -14.555 1.418 -8.030 1.00 0.00 C ATOM 1585 CG LYS A 105 -15.621 1.740 -9.063 1.00 0.00 C ATOM 1586 CD LYS A 105 -15.182 2.865 -9.985 1.00 0.00 C ATOM 1587 CE LYS A 105 -16.354 3.427 -10.774 1.00 0.00 C ATOM 1588 NZ LYS A 105 -15.922 4.477 -11.738 1.00 0.00 N ATOM 0 H LYS A 105 -15.898 2.044 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 105 -15.429 -0.392 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.156 2.350 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.730 0.902 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -15.839 0.849 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.545 2.022 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -14.723 3.660 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.421 2.497 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.849 2.620 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.088 3.846 -10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.750 4.835 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.473 5.259 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.241 4.071 -12.411 1.00 0.00 H new ATOM 1602 N LEU A 106 -14.098 0.686 -4.651 1.00 0.00 N ATOM 1603 CA LEU A 106 -13.085 0.471 -3.624 1.00 0.00 C ATOM 1604 C LEU A 106 -13.458 -0.706 -2.728 1.00 0.00 C ATOM 1605 O LEU A 106 -12.681 -1.648 -2.567 1.00 0.00 O ATOM 1606 CB LEU A 106 -12.910 1.734 -2.779 1.00 0.00 C ATOM 1607 CG LEU A 106 -11.712 1.746 -1.829 1.00 0.00 C ATOM 1608 CD1 LEU A 106 -11.648 3.062 -1.069 1.00 0.00 C ATOM 1609 CD2 LEU A 106 -11.786 0.573 -0.864 1.00 0.00 C ATOM 0 H LEU A 106 -14.931 1.176 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.143 0.241 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.823 2.588 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.816 1.882 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.802 1.647 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.789 3.053 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.547 3.886 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.561 3.192 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.926 0.597 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.703 0.641 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.783 -0.361 -1.426 1.00 0.00 H new ATOM 1621 N LEU A 107 -14.652 -0.646 -2.149 1.00 0.00 N ATOM 1622 CA LEU A 107 -15.130 -1.708 -1.271 1.00 0.00 C ATOM 1623 C LEU A 107 -15.142 -3.050 -1.996 1.00 0.00 C ATOM 1624 O LEU A 107 -14.750 -4.082 -1.450 1.00 0.00 O ATOM 1625 CB LEU A 107 -16.533 -1.380 -0.758 1.00 0.00 C ATOM 1626 CG LEU A 107 -16.976 -2.118 0.506 1.00 0.00 C ATOM 1627 CD1 LEU A 107 -17.287 -3.573 0.194 1.00 0.00 C ATOM 1628 CD2 LEU A 107 -15.905 -2.019 1.584 1.00 0.00 C ATOM 0 H LEU A 107 -15.307 0.127 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.448 -1.780 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.586 -0.308 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.248 -1.598 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.885 -1.646 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.600 -4.082 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.088 -3.624 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.396 -4.058 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.237 -2.550 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.980 -2.465 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.731 -0.971 1.829 1.00 0.00 H new ATOM 1640 N PRO A 108 -15.601 -3.038 -3.256 1.00 0.00 N ATOM 1641 CA PRO A 108 -15.673 -4.245 -4.084 1.00 0.00 C ATOM 1642 C PRO A 108 -14.378 -5.049 -4.051 1.00 0.00 C ATOM 1643 O PRO A 108 -14.381 -6.261 -4.268 1.00 0.00 O ATOM 1644 CB PRO A 108 -15.926 -3.696 -5.490 1.00 0.00 C ATOM 1645 CG PRO A 108 -16.596 -2.384 -5.270 1.00 0.00 C ATOM 1646 CD PRO A 108 -16.085 -1.844 -3.970 1.00 0.00 C ATOM 0 HA PRO A 108 -16.443 -4.933 -3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -14.994 -3.577 -6.042 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -16.556 -4.370 -6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -16.375 -1.697 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -17.679 -2.504 -5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -15.285 -1.120 -4.125 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -16.871 -1.336 -3.412 1.00 0.00 H new ATOM 1654 N LEU A 109 -13.271 -4.367 -3.779 1.00 0.00 N ATOM 1655 CA LEU A 109 -11.967 -5.017 -3.717 1.00 0.00 C ATOM 1656 C LEU A 109 -11.639 -5.445 -2.290 1.00 0.00 C ATOM 1657 O LEU A 109 -11.088 -6.523 -2.065 1.00 0.00 O ATOM 1658 CB LEU A 109 -10.880 -4.077 -4.242 1.00 0.00 C ATOM 1659 CG LEU A 109 -11.139 -3.452 -5.613 1.00 0.00 C ATOM 1660 CD1 LEU A 109 -10.257 -2.230 -5.818 1.00 0.00 C ATOM 1661 CD2 LEU A 109 -10.904 -4.473 -6.718 1.00 0.00 C ATOM 0 H LEU A 109 -13.251 -3.363 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.003 -5.907 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.742 -3.273 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.941 -4.629 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.181 -3.134 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.455 -1.799 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.474 -1.491 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.209 -2.523 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.093 -4.011 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.872 -4.822 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.578 -5.318 -6.582 1.00 0.00 H new ATOM 1673 N VAL A 110 -11.983 -4.594 -1.329 1.00 0.00 N ATOM 1674 CA VAL A 110 -11.729 -4.885 0.077 1.00 0.00 C ATOM 1675 C VAL A 110 -12.272 -6.257 0.461 1.00 0.00 C ATOM 1676 O VAL A 110 -11.545 -7.098 0.992 1.00 0.00 O ATOM 1677 CB VAL A 110 -12.359 -3.820 0.994 1.00 0.00 C ATOM 1678 CG1 VAL A 110 -12.137 -4.175 2.456 1.00 0.00 C ATOM 1679 CG2 VAL A 110 -11.793 -2.444 0.679 1.00 0.00 C ATOM 0 H VAL A 110 -12.438 -3.697 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.647 -4.875 0.212 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.433 -3.797 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.589 -3.411 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.595 -5.141 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.067 -4.228 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -12.249 -1.704 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.714 -2.450 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -12.010 -2.190 -0.359 1.00 0.00 H new ATOM 1689 N HIS A 111 -13.554 -6.477 0.190 1.00 0.00 N ATOM 1690 CA HIS A 111 -14.196 -7.748 0.506 1.00 0.00 C ATOM 1691 C HIS A 111 -13.385 -8.918 -0.044 1.00 0.00 C ATOM 1692 O HIS A 111 -13.080 -9.867 0.677 1.00 0.00 O ATOM 1693 CB HIS A 111 -15.615 -7.783 -0.062 1.00 0.00 C ATOM 1694 CG HIS A 111 -16.629 -7.121 0.818 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -17.794 -6.562 0.335 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -16.650 -6.930 2.158 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -18.486 -6.055 1.340 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -17.813 -6.266 2.457 1.00 0.00 N ATOM 0 H HIS A 111 -14.169 -5.791 -0.248 1.00 0.00 H new ATOM 0 HA HIS A 111 -14.246 -7.842 1.591 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -15.619 -7.296 -1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -15.908 -8.821 -0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -15.892 -7.242 2.861 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -19.439 -5.554 1.262 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -18.110 -5.981 3.390 1.00 0.00 H new ATOM 1706 N GLN A 112 -13.041 -8.841 -1.326 1.00 0.00 N ATOM 1707 CA GLN A 112 -12.268 -9.895 -1.973 1.00 0.00 C ATOM 1708 C GLN A 112 -11.118 -10.351 -1.081 1.00 0.00 C ATOM 1709 O GLN A 112 -10.922 -11.548 -0.866 1.00 0.00 O ATOM 1710 CB GLN A 112 -11.724 -9.406 -3.316 1.00 0.00 C ATOM 1711 CG GLN A 112 -12.810 -9.015 -4.306 1.00 0.00 C ATOM 1712 CD GLN A 112 -12.252 -8.627 -5.661 1.00 0.00 C ATOM 1713 OE1 GLN A 112 -11.059 -8.355 -5.799 1.00 0.00 O ATOM 1714 NE2 GLN A 112 -13.114 -8.599 -6.671 1.00 0.00 N ATOM 0 H GLN A 112 -13.285 -8.061 -1.936 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.930 -10.744 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.074 -8.548 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.108 -10.190 -3.756 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.503 -9.848 -4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -13.383 -8.181 -3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.094 -8.832 -6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -12.796 -8.345 -7.606 1.00 0.00 H new ATOM 1723 N CYS A 113 -10.359 -9.390 -0.565 1.00 0.00 N ATOM 1724 CA CYS A 113 -9.227 -9.692 0.303 1.00 0.00 C ATOM 1725 C CYS A 113 -9.600 -10.754 1.333 1.00 0.00 C ATOM 1726 O CYS A 113 -9.047 -11.854 1.335 1.00 0.00 O ATOM 1727 CB CYS A 113 -8.748 -8.424 1.012 1.00 0.00 C ATOM 1728 SG CYS A 113 -7.266 -8.663 2.043 1.00 0.00 S ATOM 0 H CYS A 113 -10.508 -8.395 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 113 -8.419 -10.080 -0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -8.538 -7.660 0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -9.555 -8.044 1.638 1.00 0.00 H new