USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 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 15 SER OG : rot -9:sc= 0.791 USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0.79,f=0.77) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00204 USER MOD Single : A 21 MET CE :methyl -149:sc= -0.0934 (180deg=-0.372) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0457 USER MOD Single : A 34 THR OG1 : rot 140:sc= -1.03 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 4:sc= 0.777 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -151:sc= -0.461 (180deg=-1.62!) USER MOD Single : A 52 ASN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 57 SER OG : rot 92:sc= -0.222! USER MOD Single : A 59 ASN : amide:sc= -1.85 K(o=-1.9,f=-5.8!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 62 ASN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.562 X(o=-0.56,f=-0.96) USER MOD Single : A 74 ASN : amide:sc= -1.61 K(o=-1.6,f=-13!) USER MOD Single : A 76 THR OG1 : rot 63:sc= 1.01 USER MOD Single : A 80 THR OG1 : rot 153:sc= -0.829 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0404 K(o=-0.04,f=-0.78) USER MOD Single : A 93 THR OG1 : rot 66:sc= 0.923 USER MOD Single : A 94 SER OG : rot -24:sc= 0.118 USER MOD Single : A 95 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.48) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 98 GLN : amide:sc= -3.9! C(o=-3.9!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -15.595 -9.113 -2.015 1.00 0.00 N ATOM 183 CA SER A 15 -15.592 -7.824 -2.696 1.00 0.00 C ATOM 184 C SER A 15 -14.255 -7.114 -2.510 1.00 0.00 C ATOM 185 O SER A 15 -13.553 -7.336 -1.524 1.00 0.00 O ATOM 186 CB SER A 15 -16.727 -6.943 -2.170 1.00 0.00 C ATOM 187 OG SER A 15 -17.333 -7.520 -1.026 1.00 0.00 O ATOM 0 HA SER A 15 -15.743 -8.003 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.339 -5.955 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.475 -6.804 -2.950 1.00 0.00 H new ATOM 0 HG SER A 15 -16.997 -8.433 -0.903 1.00 0.00 H new ATOM 193 N VAL A 16 -13.908 -6.259 -3.467 1.00 0.00 N ATOM 194 CA VAL A 16 -12.656 -5.514 -3.410 1.00 0.00 C ATOM 195 C VAL A 16 -12.910 -4.027 -3.195 1.00 0.00 C ATOM 196 O VAL A 16 -14.016 -3.535 -3.421 1.00 0.00 O ATOM 197 CB VAL A 16 -11.832 -5.703 -4.697 1.00 0.00 C ATOM 198 CG1 VAL A 16 -10.789 -6.794 -4.509 1.00 0.00 C ATOM 199 CG2 VAL A 16 -12.745 -6.023 -5.871 1.00 0.00 C ATOM 0 H VAL A 16 -14.477 -6.065 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.091 -5.908 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.311 -4.770 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.217 -6.913 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.117 -6.518 -3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.285 -7.734 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.146 -6.153 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.295 -6.941 -5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.449 -5.204 -6.018 1.00 0.00 H new ATOM 209 N THR A 17 -11.878 -3.312 -2.758 1.00 0.00 N ATOM 210 CA THR A 17 -11.988 -1.880 -2.511 1.00 0.00 C ATOM 211 C THR A 17 -10.850 -1.118 -3.181 1.00 0.00 C ATOM 212 O THR A 17 -9.703 -1.565 -3.176 1.00 0.00 O ATOM 213 CB THR A 17 -11.984 -1.567 -1.003 1.00 0.00 C ATOM 214 OG1 THR A 17 -12.953 -2.379 -0.332 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.287 -0.097 -0.755 1.00 0.00 C ATOM 0 H THR A 17 -10.955 -3.702 -2.568 1.00 0.00 H new ATOM 0 HA THR A 17 -12.938 -1.558 -2.938 1.00 0.00 H new ATOM 0 HB THR A 17 -10.991 -1.788 -0.611 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.943 -2.175 0.627 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.279 0.100 0.317 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.531 0.518 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.269 0.146 -1.161 1.00 0.00 H new ATOM 223 N LEU A 18 -11.175 0.035 -3.755 1.00 0.00 N ATOM 224 CA LEU A 18 -10.178 0.861 -4.428 1.00 0.00 C ATOM 225 C LEU A 18 -10.194 2.286 -3.883 1.00 0.00 C ATOM 226 O LEU A 18 -11.233 2.783 -3.449 1.00 0.00 O ATOM 227 CB LEU A 18 -10.435 0.877 -5.936 1.00 0.00 C ATOM 228 CG LEU A 18 -9.289 1.393 -6.807 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.515 0.233 -7.414 1.00 0.00 C ATOM 230 CD2 LEU A 18 -9.819 2.312 -7.898 1.00 0.00 C ATOM 0 H LEU A 18 -12.120 0.419 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.195 0.430 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.678 -0.137 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.315 1.491 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.609 1.966 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.704 0.620 -8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.102 -0.386 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.184 -0.368 -8.030 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.989 2.669 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.521 1.764 -8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.327 3.162 -7.443 1.00 0.00 H new ATOM 242 N ILE A 19 -9.036 2.937 -3.911 1.00 0.00 N ATOM 243 CA ILE A 19 -8.918 4.306 -3.423 1.00 0.00 C ATOM 244 C ILE A 19 -7.992 5.128 -4.313 1.00 0.00 C ATOM 245 O ILE A 19 -6.774 4.956 -4.286 1.00 0.00 O ATOM 246 CB ILE A 19 -8.390 4.344 -1.977 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.321 3.268 -1.773 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.533 4.157 -0.991 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.753 2.157 -0.841 1.00 0.00 C ATOM 0 H ILE A 19 -8.167 2.539 -4.266 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.919 4.738 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.937 5.319 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.059 2.839 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.419 3.734 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.144 4.186 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.262 4.956 -1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.013 3.195 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.947 1.430 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.987 2.574 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.637 1.665 -1.246 1.00 0.00 H new ATOM 261 N SER A 20 -8.579 6.025 -5.099 1.00 0.00 N ATOM 262 CA SER A 20 -7.807 6.875 -5.999 1.00 0.00 C ATOM 263 C SER A 20 -7.598 8.259 -5.393 1.00 0.00 C ATOM 264 O SER A 20 -8.474 9.121 -5.471 1.00 0.00 O ATOM 265 CB SER A 20 -8.514 6.998 -7.350 1.00 0.00 C ATOM 266 OG SER A 20 -9.604 6.096 -7.439 1.00 0.00 O ATOM 0 H SER A 20 -9.586 6.182 -5.131 1.00 0.00 H new ATOM 0 HA SER A 20 -6.831 6.412 -6.149 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.871 8.019 -7.486 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.806 6.798 -8.154 1.00 0.00 H new ATOM 0 HG SER A 20 -10.040 6.195 -8.311 1.00 0.00 H new ATOM 272 N MET A 21 -6.432 8.465 -4.790 1.00 0.00 N ATOM 273 CA MET A 21 -6.107 9.745 -4.172 1.00 0.00 C ATOM 274 C MET A 21 -4.826 10.324 -4.762 1.00 0.00 C ATOM 275 O MET A 21 -3.884 9.602 -5.092 1.00 0.00 O ATOM 276 CB MET A 21 -5.956 9.581 -2.658 1.00 0.00 C ATOM 277 CG MET A 21 -5.831 8.132 -2.213 1.00 0.00 C ATOM 278 SD MET A 21 -5.559 7.972 -0.438 1.00 0.00 S ATOM 279 CE MET A 21 -4.839 6.334 -0.352 1.00 0.00 C ATOM 0 H MET A 21 -5.697 7.762 -4.716 1.00 0.00 H new ATOM 0 HA MET A 21 -6.925 10.436 -4.376 1.00 0.00 H new ATOM 0 HB2 MET A 21 -5.075 10.131 -2.327 1.00 0.00 H new ATOM 0 HB3 MET A 21 -6.817 10.031 -2.164 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.737 7.592 -2.488 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.005 7.662 -2.747 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.109 5.867 0.595 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.216 5.727 -1.175 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.754 6.409 -0.424 1.00 0.00 H new ATOM 289 N PRO A 22 -4.787 11.658 -4.901 1.00 0.00 N ATOM 290 CA PRO A 22 -3.626 12.363 -5.452 1.00 0.00 C ATOM 291 C PRO A 22 -2.425 12.327 -4.513 1.00 0.00 C ATOM 292 O PRO A 22 -2.544 11.930 -3.354 1.00 0.00 O ATOM 293 CB PRO A 22 -4.130 13.798 -5.622 1.00 0.00 C ATOM 294 CG PRO A 22 -5.227 13.934 -4.623 1.00 0.00 C ATOM 295 CD PRO A 22 -5.873 12.580 -4.529 1.00 0.00 C ATOM 0 HA PRO A 22 -3.275 11.908 -6.378 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.335 14.521 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.493 13.973 -6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.836 14.248 -3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.948 14.689 -4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.243 12.380 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.724 12.493 -5.205 1.00 0.00 H new ATOM 303 N ALA A 23 -1.270 12.744 -5.020 1.00 0.00 N ATOM 304 CA ALA A 23 -0.049 12.762 -4.224 1.00 0.00 C ATOM 305 C ALA A 23 -0.126 13.816 -3.124 1.00 0.00 C ATOM 306 O ALA A 23 -1.210 14.273 -2.762 1.00 0.00 O ATOM 307 CB ALA A 23 1.158 13.015 -5.116 1.00 0.00 C ATOM 0 H ALA A 23 -1.154 13.074 -5.978 1.00 0.00 H new ATOM 0 HA ALA A 23 0.061 11.787 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.063 13.026 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.231 12.224 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.045 13.977 -5.617 1.00 0.00 H new ATOM 391 N ARG A 29 4.132 10.149 2.253 1.00 0.00 N ATOM 392 CA ARG A 29 3.668 8.840 2.694 1.00 0.00 C ATOM 393 C ARG A 29 2.819 8.961 3.956 1.00 0.00 C ATOM 394 O ARG A 29 3.271 9.487 4.973 1.00 0.00 O ATOM 395 CB ARG A 29 4.858 7.914 2.954 1.00 0.00 C ATOM 396 CG ARG A 29 4.549 6.444 2.721 1.00 0.00 C ATOM 397 CD ARG A 29 5.814 5.644 2.453 1.00 0.00 C ATOM 398 NE ARG A 29 6.008 4.581 3.435 1.00 0.00 N ATOM 399 CZ ARG A 29 6.892 3.600 3.291 1.00 0.00 C ATOM 400 NH1 ARG A 29 7.661 3.549 2.212 1.00 0.00 N ATOM 401 NH2 ARG A 29 7.009 2.668 4.229 1.00 0.00 N ATOM 0 HA ARG A 29 3.052 8.415 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.685 8.209 2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.193 8.047 3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.037 6.036 3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.868 6.344 1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.764 5.210 1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.675 6.312 2.467 1.00 0.00 H new ATOM 0 HE ARG A 29 5.433 4.592 4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.575 4.264 1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.339 2.795 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.420 2.705 5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.688 1.915 4.118 1.00 0.00 H new ATOM 415 N GLY A 30 1.586 8.470 3.883 1.00 0.00 N ATOM 416 CA GLY A 30 0.693 8.533 5.025 1.00 0.00 C ATOM 417 C GLY A 30 0.467 7.176 5.661 1.00 0.00 C ATOM 418 O GLY A 30 -0.207 7.066 6.685 1.00 0.00 O ATOM 0 H GLY A 30 1.189 8.029 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.107 9.215 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.265 8.947 4.711 1.00 0.00 H new ATOM 422 N PHE A 31 1.032 6.138 5.052 1.00 0.00 N ATOM 423 CA PHE A 31 0.886 4.780 5.564 1.00 0.00 C ATOM 424 C PHE A 31 2.045 3.900 5.106 1.00 0.00 C ATOM 425 O PHE A 31 2.747 4.227 4.149 1.00 0.00 O ATOM 426 CB PHE A 31 -0.441 4.177 5.101 1.00 0.00 C ATOM 427 CG PHE A 31 -0.483 3.879 3.629 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.539 4.908 2.702 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.466 2.571 3.173 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.578 4.636 1.347 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.505 2.294 1.819 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.560 3.328 0.905 1.00 0.00 C ATOM 0 H PHE A 31 1.595 6.211 4.204 1.00 0.00 H new ATOM 0 HA PHE A 31 0.895 4.826 6.653 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.626 3.257 5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.249 4.865 5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.552 5.933 3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.422 1.759 3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.623 5.446 0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.492 1.270 1.476 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.589 3.114 -0.153 1.00 0.00 H new ATOM 442 N SER A 32 2.240 2.781 5.797 1.00 0.00 N ATOM 443 CA SER A 32 3.316 1.855 5.465 1.00 0.00 C ATOM 444 C SER A 32 2.756 0.497 5.052 1.00 0.00 C ATOM 445 O SER A 32 1.610 0.167 5.356 1.00 0.00 O ATOM 446 CB SER A 32 4.260 1.688 6.658 1.00 0.00 C ATOM 447 OG SER A 32 5.033 2.858 6.864 1.00 0.00 O ATOM 0 H SER A 32 1.667 2.494 6.590 1.00 0.00 H new ATOM 0 HA SER A 32 3.873 2.270 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.682 1.468 7.555 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.920 0.838 6.487 1.00 0.00 H new ATOM 0 HG SER A 32 5.627 2.727 7.633 1.00 0.00 H new ATOM 453 N VAL A 33 3.574 -0.287 4.357 1.00 0.00 N ATOM 454 CA VAL A 33 3.163 -1.609 3.902 1.00 0.00 C ATOM 455 C VAL A 33 4.266 -2.637 4.129 1.00 0.00 C ATOM 456 O VAL A 33 5.453 -2.316 4.057 1.00 0.00 O ATOM 457 CB VAL A 33 2.787 -1.597 2.409 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.832 -0.453 2.107 1.00 0.00 C ATOM 459 CG2 VAL A 33 4.037 -1.502 1.546 1.00 0.00 C ATOM 0 H VAL A 33 4.526 -0.029 4.097 1.00 0.00 H new ATOM 0 HA VAL A 33 2.286 -1.886 4.488 1.00 0.00 H new ATOM 0 HB VAL A 33 2.280 -2.532 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.578 -0.461 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.924 -0.571 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.308 0.495 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.753 -1.495 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.574 -0.584 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.681 -2.360 1.742 1.00 0.00 H new ATOM 469 N THR A 34 3.867 -3.875 4.404 1.00 0.00 N ATOM 470 CA THR A 34 4.822 -4.950 4.643 1.00 0.00 C ATOM 471 C THR A 34 4.815 -5.955 3.497 1.00 0.00 C ATOM 472 O THR A 34 3.770 -6.503 3.145 1.00 0.00 O ATOM 473 CB THR A 34 4.518 -5.688 5.960 1.00 0.00 C ATOM 474 OG1 THR A 34 4.674 -4.796 7.069 1.00 0.00 O ATOM 475 CG2 THR A 34 5.439 -6.886 6.134 1.00 0.00 C ATOM 0 H THR A 34 2.889 -4.158 4.467 1.00 0.00 H new ATOM 0 HA THR A 34 5.807 -4.489 4.713 1.00 0.00 H new ATOM 0 HB THR A 34 3.488 -6.043 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.961 -4.957 7.721 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.205 -7.391 7.071 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.297 -7.578 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.475 -6.549 6.152 1.00 0.00 H new ATOM 483 N VAL A 35 5.988 -6.195 2.919 1.00 0.00 N ATOM 484 CA VAL A 35 6.117 -7.136 1.813 1.00 0.00 C ATOM 485 C VAL A 35 6.728 -8.453 2.281 1.00 0.00 C ATOM 486 O VAL A 35 7.805 -8.471 2.875 1.00 0.00 O ATOM 487 CB VAL A 35 6.983 -6.555 0.680 1.00 0.00 C ATOM 488 CG1 VAL A 35 7.380 -7.647 -0.302 1.00 0.00 C ATOM 489 CG2 VAL A 35 6.246 -5.430 -0.030 1.00 0.00 C ATOM 0 H VAL A 35 6.862 -5.751 3.199 1.00 0.00 H new ATOM 0 HA VAL A 35 5.112 -7.319 1.434 1.00 0.00 H new ATOM 0 HB VAL A 35 7.893 -6.143 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.992 -7.218 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.950 -8.416 0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.483 -8.091 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.873 -5.031 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.318 -5.814 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.018 -4.638 0.683 1.00 0.00 H new ATOM 499 N GLU A 36 6.031 -9.552 2.009 1.00 0.00 N ATOM 500 CA GLU A 36 6.505 -10.873 2.403 1.00 0.00 C ATOM 501 C GLU A 36 6.793 -11.735 1.177 1.00 0.00 C ATOM 502 O GLU A 36 5.930 -11.921 0.319 1.00 0.00 O ATOM 503 CB GLU A 36 5.473 -11.565 3.296 1.00 0.00 C ATOM 504 CG GLU A 36 5.329 -10.926 4.667 1.00 0.00 C ATOM 505 CD GLU A 36 3.919 -11.031 5.215 1.00 0.00 C ATOM 506 OE1 GLU A 36 3.072 -10.196 4.833 1.00 0.00 O ATOM 507 OE2 GLU A 36 3.663 -11.946 6.025 1.00 0.00 O ATOM 0 H GLU A 36 5.137 -9.553 1.518 1.00 0.00 H new ATOM 0 HA GLU A 36 7.432 -10.746 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.505 -11.553 2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.755 -12.611 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.021 -11.404 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.614 -9.876 4.606 1.00 0.00 H new ATOM 514 N SER A 37 8.013 -12.259 1.103 1.00 0.00 N ATOM 515 CA SER A 37 8.417 -13.098 -0.019 1.00 0.00 C ATOM 516 C SER A 37 8.592 -14.548 0.422 1.00 0.00 C ATOM 517 O SER A 37 9.211 -14.825 1.449 1.00 0.00 O ATOM 518 CB SER A 37 9.720 -12.578 -0.629 1.00 0.00 C ATOM 519 OG SER A 37 10.723 -13.578 -0.617 1.00 0.00 O ATOM 0 H SER A 37 8.738 -12.117 1.806 1.00 0.00 H new ATOM 0 HA SER A 37 7.630 -13.058 -0.772 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.541 -12.251 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.064 -11.707 -0.072 1.00 0.00 H new ATOM 0 HG SER A 37 11.545 -13.221 -1.013 1.00 0.00 H new ATOM 571 N TYR A 42 10.838 -11.638 -5.714 1.00 0.00 N ATOM 572 CA TYR A 42 9.609 -10.993 -6.161 1.00 0.00 C ATOM 573 C TYR A 42 8.510 -11.125 -5.111 1.00 0.00 C ATOM 574 O TYR A 42 8.159 -12.230 -4.699 1.00 0.00 O ATOM 575 CB TYR A 42 9.141 -11.602 -7.484 1.00 0.00 C ATOM 576 CG TYR A 42 8.334 -12.870 -7.315 1.00 0.00 C ATOM 577 CD1 TYR A 42 8.956 -14.110 -7.253 1.00 0.00 C ATOM 578 CD2 TYR A 42 6.948 -12.826 -7.216 1.00 0.00 C ATOM 579 CE1 TYR A 42 8.222 -15.270 -7.099 1.00 0.00 C ATOM 580 CE2 TYR A 42 6.207 -13.981 -7.061 1.00 0.00 C ATOM 581 CZ TYR A 42 6.848 -15.201 -7.003 1.00 0.00 C ATOM 582 OH TYR A 42 6.114 -16.354 -6.848 1.00 0.00 O ATOM 0 HA TYR A 42 9.819 -9.934 -6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.540 -10.867 -8.020 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.012 -11.815 -8.104 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.032 -14.168 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.442 -11.873 -7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.722 -16.226 -7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.131 -13.929 -6.986 1.00 0.00 H new ATOM 0 HH TYR A 42 5.161 -16.131 -6.796 1.00 0.00 H new ATOM 592 N ALA A 43 7.972 -9.988 -4.682 1.00 0.00 N ATOM 593 CA ALA A 43 6.911 -9.975 -3.682 1.00 0.00 C ATOM 594 C ALA A 43 5.881 -11.065 -3.959 1.00 0.00 C ATOM 595 O ALA A 43 5.792 -11.581 -5.074 1.00 0.00 O ATOM 596 CB ALA A 43 6.240 -8.610 -3.641 1.00 0.00 C ATOM 0 H ALA A 43 8.253 -9.064 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 43 7.361 -10.176 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.450 -8.615 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.978 -7.849 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.811 -8.386 -4.618 1.00 0.00 H new ATOM 602 N THR A 44 5.104 -11.413 -2.938 1.00 0.00 N ATOM 603 CA THR A 44 4.082 -12.442 -3.072 1.00 0.00 C ATOM 604 C THR A 44 2.824 -12.073 -2.293 1.00 0.00 C ATOM 605 O THR A 44 1.705 -12.306 -2.752 1.00 0.00 O ATOM 606 CB THR A 44 4.594 -13.810 -2.581 1.00 0.00 C ATOM 607 OG1 THR A 44 5.246 -13.662 -1.314 1.00 0.00 O ATOM 608 CG2 THR A 44 5.559 -14.419 -3.586 1.00 0.00 C ATOM 0 H THR A 44 5.164 -10.997 -2.009 1.00 0.00 H new ATOM 0 HA THR A 44 3.841 -12.512 -4.133 1.00 0.00 H new ATOM 0 HB THR A 44 3.739 -14.477 -2.474 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.167 -12.733 -1.012 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.907 -15.384 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.051 -14.557 -4.541 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.412 -13.753 -3.721 1.00 0.00 H new ATOM 616 N THR A 45 3.015 -11.496 -1.110 1.00 0.00 N ATOM 617 CA THR A 45 1.896 -11.095 -0.267 1.00 0.00 C ATOM 618 C THR A 45 2.194 -9.787 0.457 1.00 0.00 C ATOM 619 O THR A 45 3.302 -9.579 0.953 1.00 0.00 O ATOM 620 CB THR A 45 1.560 -12.179 0.774 1.00 0.00 C ATOM 621 OG1 THR A 45 1.096 -13.363 0.115 1.00 0.00 O ATOM 622 CG2 THR A 45 0.500 -11.686 1.747 1.00 0.00 C ATOM 0 H THR A 45 3.934 -11.296 -0.715 1.00 0.00 H new ATOM 0 HA THR A 45 1.039 -10.956 -0.926 1.00 0.00 H new ATOM 0 HB THR A 45 2.467 -12.406 1.335 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.886 -14.048 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.280 -12.469 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.867 -10.802 2.268 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.408 -11.433 1.199 1.00 0.00 H new ATOM 630 N VAL A 46 1.199 -8.907 0.514 1.00 0.00 N ATOM 631 CA VAL A 46 1.355 -7.619 1.180 1.00 0.00 C ATOM 632 C VAL A 46 0.442 -7.515 2.396 1.00 0.00 C ATOM 633 O VAL A 46 -0.638 -8.104 2.425 1.00 0.00 O ATOM 634 CB VAL A 46 1.051 -6.452 0.222 1.00 0.00 C ATOM 635 CG1 VAL A 46 1.571 -5.142 0.794 1.00 0.00 C ATOM 636 CG2 VAL A 46 1.649 -6.720 -1.150 1.00 0.00 C ATOM 0 H VAL A 46 0.277 -9.063 0.107 1.00 0.00 H new ATOM 0 HA VAL A 46 2.394 -7.553 1.503 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.030 -6.368 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.347 -4.329 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.090 -4.947 1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.649 -5.210 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.425 -5.885 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.730 -6.832 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.222 -7.635 -1.560 1.00 0.00 H new ATOM 646 N GLN A 47 0.884 -6.762 3.399 1.00 0.00 N ATOM 647 CA GLN A 47 0.106 -6.582 4.618 1.00 0.00 C ATOM 648 C GLN A 47 0.244 -5.158 5.146 1.00 0.00 C ATOM 649 O GLN A 47 1.315 -4.755 5.602 1.00 0.00 O ATOM 650 CB GLN A 47 0.554 -7.580 5.687 1.00 0.00 C ATOM 651 CG GLN A 47 -0.600 -8.255 6.411 1.00 0.00 C ATOM 652 CD GLN A 47 -0.133 -9.286 7.420 1.00 0.00 C ATOM 653 OE1 GLN A 47 0.561 -8.959 8.383 1.00 0.00 O ATOM 654 NE2 GLN A 47 -0.513 -10.540 7.203 1.00 0.00 N ATOM 0 H GLN A 47 1.776 -6.268 3.391 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.942 -6.762 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.176 -8.344 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.177 -7.063 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.197 -7.498 6.920 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.251 -8.736 5.681 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.088 -10.765 6.391 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.230 -11.278 7.848 1.00 0.00 H new ATOM 663 N VAL A 48 -0.845 -4.399 5.082 1.00 0.00 N ATOM 664 CA VAL A 48 -0.845 -3.020 5.554 1.00 0.00 C ATOM 665 C VAL A 48 -0.348 -2.931 6.992 1.00 0.00 C ATOM 666 O VAL A 48 -1.085 -3.221 7.935 1.00 0.00 O ATOM 667 CB VAL A 48 -2.252 -2.398 5.469 1.00 0.00 C ATOM 668 CG1 VAL A 48 -2.186 -0.895 5.695 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.895 -2.716 4.128 1.00 0.00 C ATOM 0 H VAL A 48 -1.739 -4.716 4.708 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.170 -2.463 4.905 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.870 -2.833 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.189 -0.473 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.770 -0.693 6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.552 -0.440 4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.888 -2.269 4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.280 -2.311 3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.978 -3.797 4.012 1.00 0.00 H new ATOM 679 N LYS A 49 0.907 -2.527 7.155 1.00 0.00 N ATOM 680 CA LYS A 49 1.505 -2.398 8.478 1.00 0.00 C ATOM 681 C LYS A 49 0.704 -1.431 9.344 1.00 0.00 C ATOM 682 O LYS A 49 0.073 -1.835 10.320 1.00 0.00 O ATOM 683 CB LYS A 49 2.953 -1.916 8.362 1.00 0.00 C ATOM 684 CG LYS A 49 3.818 -2.299 9.550 1.00 0.00 C ATOM 685 CD LYS A 49 5.219 -2.695 9.114 1.00 0.00 C ATOM 686 CE LYS A 49 6.261 -2.278 10.142 1.00 0.00 C ATOM 687 NZ LYS A 49 6.126 -0.844 10.518 1.00 0.00 N ATOM 0 H LYS A 49 1.531 -2.283 6.386 1.00 0.00 H new ATOM 0 HA LYS A 49 1.493 -3.379 8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.393 -2.329 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.959 -0.831 8.254 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.875 -1.461 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.355 -3.127 10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.264 -3.774 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.447 -2.232 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.161 -2.898 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.259 -2.456 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.056 -0.468 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.760 -0.305 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.467 -0.755 11.318 1.00 0.00 H new ATOM 701 N GLU A 50 0.734 -0.153 8.980 1.00 0.00 N ATOM 702 CA GLU A 50 0.009 0.870 9.724 1.00 0.00 C ATOM 703 C GLU A 50 -0.522 1.951 8.787 1.00 0.00 C ATOM 704 O GLU A 50 0.008 2.157 7.695 1.00 0.00 O ATOM 705 CB GLU A 50 0.916 1.499 10.784 1.00 0.00 C ATOM 706 CG GLU A 50 1.423 0.507 11.818 1.00 0.00 C ATOM 707 CD GLU A 50 0.345 0.082 12.796 1.00 0.00 C ATOM 708 OE1 GLU A 50 -0.849 0.226 12.461 1.00 0.00 O ATOM 709 OE2 GLU A 50 0.696 -0.393 13.896 1.00 0.00 O ATOM 0 H GLU A 50 1.252 0.198 8.175 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.838 0.393 10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.769 1.964 10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.370 2.294 11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.815 -0.374 11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.252 0.953 12.368 1.00 0.00 H new ATOM 716 N VAL A 51 -1.573 2.639 9.222 1.00 0.00 N ATOM 717 CA VAL A 51 -2.177 3.699 8.424 1.00 0.00 C ATOM 718 C VAL A 51 -2.501 4.917 9.283 1.00 0.00 C ATOM 719 O VAL A 51 -3.044 4.789 10.379 1.00 0.00 O ATOM 720 CB VAL A 51 -3.464 3.216 7.731 1.00 0.00 C ATOM 721 CG1 VAL A 51 -3.934 4.237 6.705 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.242 1.859 7.082 1.00 0.00 C ATOM 0 H VAL A 51 -2.024 2.481 10.123 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.447 3.978 7.664 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.244 3.109 8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.845 3.878 6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.135 5.186 7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.159 4.379 5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.162 1.533 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.448 1.936 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.957 1.134 7.844 1.00 0.00 H new ATOM 732 N ASN A 52 -2.163 6.098 8.776 1.00 0.00 N ATOM 733 CA ASN A 52 -2.418 7.340 9.497 1.00 0.00 C ATOM 734 C ASN A 52 -3.527 8.143 8.822 1.00 0.00 C ATOM 735 O ASN A 52 -3.474 8.405 7.621 1.00 0.00 O ATOM 736 CB ASN A 52 -1.141 8.180 9.575 1.00 0.00 C ATOM 737 CG ASN A 52 -0.200 7.700 10.663 1.00 0.00 C ATOM 738 OD1 ASN A 52 0.002 8.380 11.669 1.00 0.00 O ATOM 739 ND2 ASN A 52 0.382 6.522 10.465 1.00 0.00 N ATOM 0 H ASN A 52 -1.712 6.221 7.869 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.740 7.085 10.507 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.628 8.147 8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.405 9.221 9.760 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.026 6.148 11.162 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.185 5.992 9.616 1.00 0.00 H new ATOM 746 N ARG A 53 -4.529 8.530 9.605 1.00 0.00 N ATOM 747 CA ARG A 53 -5.650 9.302 9.084 1.00 0.00 C ATOM 748 C ARG A 53 -5.335 10.794 9.095 1.00 0.00 C ATOM 749 O ARG A 53 -6.109 11.606 8.589 1.00 0.00 O ATOM 750 CB ARG A 53 -6.910 9.030 9.907 1.00 0.00 C ATOM 751 CG ARG A 53 -7.391 7.590 9.828 1.00 0.00 C ATOM 752 CD ARG A 53 -7.822 7.071 11.191 1.00 0.00 C ATOM 753 NE ARG A 53 -6.804 7.304 12.212 1.00 0.00 N ATOM 754 CZ ARG A 53 -6.979 7.031 13.500 1.00 0.00 C ATOM 755 NH1 ARG A 53 -8.126 6.518 13.923 1.00 0.00 N ATOM 756 NH2 ARG A 53 -6.005 7.271 14.369 1.00 0.00 N ATOM 0 H ARG A 53 -4.587 8.322 10.602 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.823 8.993 8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.714 9.282 10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.707 9.690 9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.226 7.522 9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.594 6.960 9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.751 7.558 11.487 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.030 6.003 11.123 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.910 7.698 11.920 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.877 6.332 13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.257 6.309 14.913 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.121 7.666 14.048 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.141 7.061 15.358 1.00 0.00 H new ATOM 770 N MET A 54 -4.193 11.148 9.675 1.00 0.00 N ATOM 771 CA MET A 54 -3.775 12.543 9.751 1.00 0.00 C ATOM 772 C MET A 54 -3.200 13.012 8.418 1.00 0.00 C ATOM 773 O MET A 54 -2.991 14.207 8.207 1.00 0.00 O ATOM 774 CB MET A 54 -2.737 12.727 10.860 1.00 0.00 C ATOM 775 CG MET A 54 -3.276 13.452 12.083 1.00 0.00 C ATOM 776 SD MET A 54 -2.448 15.025 12.380 1.00 0.00 S ATOM 777 CE MET A 54 -3.802 16.005 13.023 1.00 0.00 C ATOM 0 H MET A 54 -3.541 10.488 10.099 1.00 0.00 H new ATOM 0 HA MET A 54 -4.653 13.147 9.981 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.364 11.749 11.163 1.00 0.00 H new ATOM 0 HB3 MET A 54 -1.888 13.283 10.463 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.344 13.627 11.955 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.160 12.814 12.959 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.446 17.009 13.255 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.595 16.064 12.277 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.190 15.539 13.929 1.00 0.00 H new ATOM 787 N HIS A 55 -2.946 12.064 7.522 1.00 0.00 N ATOM 788 CA HIS A 55 -2.395 12.380 6.209 1.00 0.00 C ATOM 789 C HIS A 55 -3.391 12.036 5.105 1.00 0.00 C ATOM 790 O HIS A 55 -3.499 12.751 4.109 1.00 0.00 O ATOM 791 CB HIS A 55 -1.086 11.623 5.985 1.00 0.00 C ATOM 792 CG HIS A 55 -0.054 11.887 7.038 1.00 0.00 C ATOM 793 ND1 HIS A 55 1.049 12.687 6.826 1.00 0.00 N ATOM 794 CD2 HIS A 55 0.037 11.454 8.317 1.00 0.00 C ATOM 795 CE1 HIS A 55 1.776 12.733 7.928 1.00 0.00 C ATOM 796 NE2 HIS A 55 1.183 11.993 8.848 1.00 0.00 N ATOM 0 H HIS A 55 -3.113 11.070 7.681 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.196 13.451 6.174 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.295 10.554 5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.679 11.898 5.012 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.661 10.806 8.825 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.698 13.282 8.055 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.522 11.846 9.799 1.00 0.00 H new ATOM 805 N ILE A 56 -4.115 10.937 5.289 1.00 0.00 N ATOM 806 CA ILE A 56 -5.101 10.499 4.309 1.00 0.00 C ATOM 807 C ILE A 56 -6.320 11.416 4.309 1.00 0.00 C ATOM 808 O ILE A 56 -6.965 11.608 3.278 1.00 0.00 O ATOM 809 CB ILE A 56 -5.559 9.054 4.579 1.00 0.00 C ATOM 810 CG1 ILE A 56 -4.391 8.083 4.395 1.00 0.00 C ATOM 811 CG2 ILE A 56 -6.712 8.684 3.658 1.00 0.00 C ATOM 812 CD1 ILE A 56 -4.760 6.638 4.649 1.00 0.00 C ATOM 0 H ILE A 56 -4.037 10.334 6.108 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.617 10.541 3.333 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.906 8.985 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.007 8.178 3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.583 8.367 5.069 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.025 7.660 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.549 9.360 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.389 8.766 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.884 6.007 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.116 6.528 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.546 6.336 3.957 1.00 0.00 H new ATOM 824 N SER A 57 -6.629 11.980 5.472 1.00 0.00 N ATOM 825 CA SER A 57 -7.772 12.875 5.607 1.00 0.00 C ATOM 826 C SER A 57 -9.074 12.085 5.699 1.00 0.00 C ATOM 827 O SER A 57 -9.175 10.949 5.233 1.00 0.00 O ATOM 828 CB SER A 57 -7.832 13.842 4.423 1.00 0.00 C ATOM 829 OG SER A 57 -6.550 14.025 3.848 1.00 0.00 O ATOM 0 H SER A 57 -6.104 11.833 6.334 1.00 0.00 H new ATOM 0 HA SER A 57 -7.648 13.445 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.520 13.458 3.670 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.226 14.803 4.754 1.00 0.00 H new ATOM 0 HG SER A 57 -6.420 13.377 3.125 1.00 0.00 H new ATOM 835 N PRO A 58 -10.095 12.698 6.315 1.00 0.00 N ATOM 836 CA PRO A 58 -11.410 12.071 6.483 1.00 0.00 C ATOM 837 C PRO A 58 -12.160 11.934 5.162 1.00 0.00 C ATOM 838 O PRO A 58 -12.971 12.788 4.807 1.00 0.00 O ATOM 839 CB PRO A 58 -12.146 13.034 7.418 1.00 0.00 C ATOM 840 CG PRO A 58 -11.488 14.353 7.197 1.00 0.00 C ATOM 841 CD PRO A 58 -10.046 14.051 6.894 1.00 0.00 C ATOM 0 HA PRO A 58 -11.330 11.056 6.871 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.210 13.078 7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.061 12.719 8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.956 14.889 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.577 14.986 8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.623 14.772 6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.432 14.081 7.794 1.00 0.00 H new ATOM 849 N ASN A 59 -11.883 10.854 4.438 1.00 0.00 N ATOM 850 CA ASN A 59 -12.531 10.606 3.156 1.00 0.00 C ATOM 851 C ASN A 59 -12.093 9.265 2.575 1.00 0.00 C ATOM 852 O ASN A 59 -12.918 8.475 2.120 1.00 0.00 O ATOM 853 CB ASN A 59 -12.209 11.731 2.171 1.00 0.00 C ATOM 854 CG ASN A 59 -10.921 12.453 2.520 1.00 0.00 C ATOM 855 OD1 ASN A 59 -9.834 11.882 2.434 1.00 0.00 O ATOM 856 ND2 ASN A 59 -11.039 13.715 2.915 1.00 0.00 N ATOM 0 H ASN A 59 -11.214 10.137 4.718 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.608 10.576 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.130 11.318 1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.032 12.446 2.159 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.208 14.252 3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.961 14.148 2.971 1.00 0.00 H new ATOM 863 N ASN A 60 -10.787 9.017 2.594 1.00 0.00 N ATOM 864 CA ASN A 60 -10.238 7.772 2.069 1.00 0.00 C ATOM 865 C ASN A 60 -9.861 6.823 3.203 1.00 0.00 C ATOM 866 O ASN A 60 -9.284 5.761 2.971 1.00 0.00 O ATOM 867 CB ASN A 60 -9.012 8.057 1.199 1.00 0.00 C ATOM 868 CG ASN A 60 -9.386 8.418 -0.226 1.00 0.00 C ATOM 869 OD1 ASN A 60 -9.962 7.608 -0.952 1.00 0.00 O ATOM 870 ND2 ASN A 60 -9.058 9.638 -0.633 1.00 0.00 N ATOM 0 H ASN A 60 -10.090 9.661 2.967 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.005 7.295 1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.439 8.873 1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.364 7.181 1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.283 9.937 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.581 10.277 0.003 1.00 0.00 H new ATOM 877 N ARG A 61 -10.192 7.214 4.429 1.00 0.00 N ATOM 878 CA ARG A 61 -9.888 6.399 5.599 1.00 0.00 C ATOM 879 C ARG A 61 -10.989 5.372 5.848 1.00 0.00 C ATOM 880 O ARG A 61 -10.928 4.602 6.805 1.00 0.00 O ATOM 881 CB ARG A 61 -9.715 7.285 6.834 1.00 0.00 C ATOM 882 CG ARG A 61 -10.988 8.000 7.254 1.00 0.00 C ATOM 883 CD ARG A 61 -10.804 8.740 8.570 1.00 0.00 C ATOM 884 NE ARG A 61 -11.995 9.498 8.943 1.00 0.00 N ATOM 885 CZ ARG A 61 -12.190 10.013 10.152 1.00 0.00 C ATOM 886 NH1 ARG A 61 -11.276 9.853 11.099 1.00 0.00 N ATOM 887 NH2 ARG A 61 -13.300 10.691 10.415 1.00 0.00 N ATOM 0 H ARG A 61 -10.671 8.090 4.638 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.956 5.868 5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.362 6.672 7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.941 8.026 6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.284 8.705 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.797 7.276 7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.568 8.025 9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.954 9.417 8.489 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.717 9.640 8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.421 9.334 10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.428 10.249 12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.005 10.817 9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.448 11.086 11.344 1.00 0.00 H new ATOM 901 N ASN A 62 -11.994 5.368 4.978 1.00 0.00 N ATOM 902 CA ASN A 62 -13.110 4.437 5.104 1.00 0.00 C ATOM 903 C ASN A 62 -13.027 3.342 4.044 1.00 0.00 C ATOM 904 O ASN A 62 -13.924 2.508 3.928 1.00 0.00 O ATOM 905 CB ASN A 62 -14.440 5.182 4.980 1.00 0.00 C ATOM 906 CG ASN A 62 -15.480 4.675 5.960 1.00 0.00 C ATOM 907 OD1 ASN A 62 -16.511 4.132 5.562 1.00 0.00 O ATOM 908 ND2 ASN A 62 -15.214 4.850 7.249 1.00 0.00 N ATOM 0 H ASN A 62 -12.059 5.998 4.179 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.053 3.971 6.088 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.274 6.246 5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.820 5.075 3.964 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.877 4.529 7.955 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.347 5.305 7.534 1.00 0.00 H new ATOM 915 N ALA A 63 -11.943 3.353 3.275 1.00 0.00 N ATOM 916 CA ALA A 63 -11.741 2.360 2.227 1.00 0.00 C ATOM 917 C ALA A 63 -10.505 1.512 2.505 1.00 0.00 C ATOM 918 O ALA A 63 -10.356 0.418 1.960 1.00 0.00 O ATOM 919 CB ALA A 63 -11.623 3.040 0.871 1.00 0.00 C ATOM 0 H ALA A 63 -11.192 4.038 3.358 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.608 1.699 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.472 2.286 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.537 3.596 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.775 3.725 0.880 1.00 0.00 H new ATOM 925 N ILE A 64 -9.621 2.024 3.354 1.00 0.00 N ATOM 926 CA ILE A 64 -8.398 1.312 3.704 1.00 0.00 C ATOM 927 C ILE A 64 -8.264 1.159 5.215 1.00 0.00 C ATOM 928 O ILE A 64 -9.005 1.777 5.981 1.00 0.00 O ATOM 929 CB ILE A 64 -7.151 2.035 3.160 1.00 0.00 C ATOM 930 CG1 ILE A 64 -6.029 1.030 2.893 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.690 3.104 4.138 1.00 0.00 C ATOM 932 CD1 ILE A 64 -5.079 1.461 1.797 1.00 0.00 C ATOM 0 H ILE A 64 -9.728 2.929 3.812 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.465 0.325 3.246 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.411 2.520 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.464 0.876 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.469 0.070 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.808 3.606 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.488 3.833 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.443 2.641 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.310 0.701 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.631 1.587 0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.611 2.406 2.072 1.00 0.00 H new ATOM 944 N HIS A 65 -7.312 0.334 5.639 1.00 0.00 N ATOM 945 CA HIS A 65 -7.079 0.101 7.060 1.00 0.00 C ATOM 946 C HIS A 65 -5.964 -0.919 7.267 1.00 0.00 C ATOM 947 O HIS A 65 -5.772 -1.837 6.469 1.00 0.00 O ATOM 948 CB HIS A 65 -8.362 -0.383 7.737 1.00 0.00 C ATOM 949 CG HIS A 65 -9.234 -1.210 6.844 1.00 0.00 C ATOM 950 ND1 HIS A 65 -10.475 -0.795 6.408 1.00 0.00 N ATOM 951 CD2 HIS A 65 -9.038 -2.436 6.303 1.00 0.00 C ATOM 952 CE1 HIS A 65 -11.005 -1.729 5.640 1.00 0.00 C ATOM 953 NE2 HIS A 65 -10.153 -2.735 5.559 1.00 0.00 N ATOM 0 H HIS A 65 -6.690 -0.184 5.019 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.773 1.044 7.512 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.100 -0.968 8.618 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -8.928 0.481 8.085 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.167 -3.062 6.432 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.971 -1.679 5.160 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.299 -3.595 5.030 1.00 0.00 H new ATOM 962 N PRO A 66 -5.210 -0.758 8.365 1.00 0.00 N ATOM 963 CA PRO A 66 -4.101 -1.656 8.703 1.00 0.00 C ATOM 964 C PRO A 66 -4.583 -3.041 9.118 1.00 0.00 C ATOM 965 O PRO A 66 -5.648 -3.185 9.716 1.00 0.00 O ATOM 966 CB PRO A 66 -3.420 -0.951 9.879 1.00 0.00 C ATOM 967 CG PRO A 66 -4.491 -0.118 10.493 1.00 0.00 C ATOM 968 CD PRO A 66 -5.382 0.313 9.361 1.00 0.00 C ATOM 0 HA PRO A 66 -3.442 -1.828 7.852 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.019 -1.670 10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.585 -0.337 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.051 -0.687 11.235 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.068 0.745 11.007 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.421 0.403 9.679 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.085 1.283 8.963 1.00 0.00 H new ATOM 976 N GLY A 67 -3.790 -4.059 8.798 1.00 0.00 N ATOM 977 CA GLY A 67 -4.153 -5.421 9.147 1.00 0.00 C ATOM 978 C GLY A 67 -4.645 -6.214 7.952 1.00 0.00 C ATOM 979 O GLY A 67 -4.636 -7.445 7.970 1.00 0.00 O ATOM 0 H GLY A 67 -2.903 -3.965 8.303 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.289 -5.924 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.930 -5.402 9.912 1.00 0.00 H new ATOM 983 N ASP A 68 -5.076 -5.508 6.913 1.00 0.00 N ATOM 984 CA ASP A 68 -5.574 -6.154 5.704 1.00 0.00 C ATOM 985 C ASP A 68 -4.429 -6.481 4.751 1.00 0.00 C ATOM 986 O ASP A 68 -3.259 -6.419 5.127 1.00 0.00 O ATOM 987 CB ASP A 68 -6.596 -5.255 5.005 1.00 0.00 C ATOM 988 CG ASP A 68 -8.013 -5.776 5.139 1.00 0.00 C ATOM 989 OD1 ASP A 68 -8.267 -6.572 6.068 1.00 0.00 O ATOM 990 OD2 ASP A 68 -8.868 -5.387 4.317 1.00 0.00 O ATOM 0 H ASP A 68 -5.091 -4.489 6.883 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.059 -7.087 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.540 -4.251 5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.341 -5.173 3.949 1.00 0.00 H new ATOM 995 N ARG A 69 -4.775 -6.830 3.516 1.00 0.00 N ATOM 996 CA ARG A 69 -3.776 -7.170 2.510 1.00 0.00 C ATOM 997 C ARG A 69 -4.099 -6.502 1.177 1.00 0.00 C ATOM 998 O ARG A 69 -5.266 -6.321 0.829 1.00 0.00 O ATOM 999 CB ARG A 69 -3.701 -8.687 2.328 1.00 0.00 C ATOM 1000 CG ARG A 69 -4.879 -9.433 2.932 1.00 0.00 C ATOM 1001 CD ARG A 69 -6.184 -9.062 2.245 1.00 0.00 C ATOM 1002 NE ARG A 69 -6.933 -10.241 1.819 1.00 0.00 N ATOM 1003 CZ ARG A 69 -7.483 -11.107 2.663 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -7.370 -10.925 3.971 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -8.150 -12.156 2.198 1.00 0.00 N ATOM 0 H ARG A 69 -5.739 -6.885 3.188 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.809 -6.804 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.646 -8.914 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.780 -9.053 2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.714 -10.507 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.949 -9.205 3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.796 -8.470 2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.972 -8.435 1.379 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.040 -10.409 0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.860 -10.119 4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.793 -11.591 4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.241 -12.298 1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.572 -12.820 2.847 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.058 -6.137 0.436 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.231 -5.490 -0.858 1.00 0.00 C ATOM 1021 C ILE A 70 -2.979 -6.469 -2.000 1.00 0.00 C ATOM 1022 O ILE A 70 -2.043 -7.269 -1.952 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.287 -4.283 -1.014 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.535 -3.267 0.102 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.477 -3.636 -2.378 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.357 -2.355 0.362 1.00 0.00 C ATOM 0 H ILE A 70 -2.086 -6.279 0.710 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.263 -5.142 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.257 -4.633 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.403 -2.661 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.780 -3.801 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.803 -2.784 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.256 -4.363 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.508 -3.296 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.604 -1.661 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.492 -2.952 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.124 -1.794 -0.543 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.817 -6.399 -3.028 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.685 -7.277 -4.185 1.00 0.00 C ATOM 1040 C LEU A 71 -2.966 -6.568 -5.328 1.00 0.00 C ATOM 1041 O LEU A 71 -2.194 -7.182 -6.064 1.00 0.00 O ATOM 1042 CB LEU A 71 -5.063 -7.752 -4.650 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.084 -8.031 -3.547 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -7.457 -8.294 -4.145 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -5.638 -9.208 -2.692 1.00 0.00 C ATOM 0 H LEU A 71 -4.596 -5.743 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.091 -8.141 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.478 -6.999 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.933 -8.662 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.151 -7.150 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.171 -8.491 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.780 -7.421 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.406 -9.159 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.377 -9.392 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.541 -10.096 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.676 -8.981 -2.233 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.225 -5.272 -5.469 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.601 -4.479 -6.522 1.00 0.00 C ATOM 1059 C GLU A 72 -2.333 -3.055 -6.045 1.00 0.00 C ATOM 1060 O GLU A 72 -2.972 -2.572 -5.109 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.491 -4.453 -7.766 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.958 -5.829 -8.210 1.00 0.00 C ATOM 1063 CD GLU A 72 -5.022 -5.764 -9.289 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -5.856 -4.836 -9.246 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -5.020 -6.643 -10.176 1.00 0.00 O ATOM 0 H GLU A 72 -3.862 -4.749 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.648 -4.944 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.363 -3.830 -7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.944 -3.983 -8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.104 -6.396 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.351 -6.370 -7.349 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.385 -2.388 -6.694 1.00 0.00 N ATOM 1073 CA ILE A 73 -1.032 -1.020 -6.336 1.00 0.00 C ATOM 1074 C ILE A 73 -0.896 -0.145 -7.578 1.00 0.00 C ATOM 1075 O ILE A 73 -0.236 -0.522 -8.545 1.00 0.00 O ATOM 1076 CB ILE A 73 0.283 -0.967 -5.538 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.159 -1.790 -4.253 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.651 0.474 -5.217 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.391 -1.732 -3.378 1.00 0.00 C ATOM 0 H ILE A 73 -0.847 -2.773 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.840 -0.639 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 73 1.078 -1.397 -6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.699 -1.432 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.043 -2.829 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.583 0.494 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.776 1.033 -6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.142 0.929 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.232 -2.338 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.248 -2.117 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.582 -0.699 -3.086 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.523 1.026 -7.542 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.470 1.956 -8.665 1.00 0.00 C ATOM 1093 C ASN A 74 -1.977 1.295 -9.943 1.00 0.00 C ATOM 1094 O ASN A 74 -1.786 1.816 -11.041 1.00 0.00 O ATOM 1095 CB ASN A 74 -0.040 2.460 -8.870 1.00 0.00 C ATOM 1096 CG ASN A 74 0.423 3.361 -7.742 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -0.358 3.724 -6.862 1.00 0.00 O ATOM 1098 ND2 ASN A 74 1.700 3.726 -7.762 1.00 0.00 N ATOM 0 H ASN A 74 -2.073 1.354 -6.748 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.116 2.803 -8.434 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.635 1.608 -8.951 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.019 3.004 -9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.069 4.331 -7.028 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.312 3.401 -8.511 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.624 0.144 -9.791 1.00 0.00 N ATOM 1106 CA GLY A 75 -3.149 -0.570 -10.941 1.00 0.00 C ATOM 1107 C GLY A 75 -2.156 -1.565 -11.508 1.00 0.00 C ATOM 1108 O GLY A 75 -1.984 -1.658 -12.724 1.00 0.00 O ATOM 0 H GLY A 75 -2.794 -0.307 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.061 -1.094 -10.654 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.423 0.146 -11.715 1.00 0.00 H new ATOM 1112 N THR A 76 -1.499 -2.311 -10.626 1.00 0.00 N ATOM 1113 CA THR A 76 -0.516 -3.302 -11.045 1.00 0.00 C ATOM 1114 C THR A 76 -0.415 -4.438 -10.033 1.00 0.00 C ATOM 1115 O THR A 76 -0.557 -4.241 -8.826 1.00 0.00 O ATOM 1116 CB THR A 76 0.876 -2.670 -11.230 1.00 0.00 C ATOM 1117 OG1 THR A 76 0.801 -1.253 -11.032 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.423 -2.964 -12.619 1.00 0.00 C ATOM 0 H THR A 76 -1.630 -2.248 -9.616 1.00 0.00 H new ATOM 0 HA THR A 76 -0.856 -3.699 -12.001 1.00 0.00 H new ATOM 0 HB THR A 76 1.549 -3.105 -10.491 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.520 -1.066 -10.112 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.407 -2.508 -12.727 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.506 -4.042 -12.757 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.748 -2.553 -13.370 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.162 -5.657 -10.533 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.034 -6.848 -9.689 1.00 0.00 C ATOM 1128 C PRO A 77 1.233 -6.825 -8.842 1.00 0.00 C ATOM 1129 O PRO A 77 2.331 -6.604 -9.354 1.00 0.00 O ATOM 1130 CB PRO A 77 0.019 -7.996 -10.701 1.00 0.00 C ATOM 1131 CG PRO A 77 0.542 -7.375 -11.950 1.00 0.00 C ATOM 1132 CD PRO A 77 0.020 -5.965 -11.962 1.00 0.00 C ATOM 0 HA PRO A 77 -0.852 -6.930 -8.973 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.670 -8.799 -10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.968 -8.431 -10.858 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.632 -7.388 -11.965 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.204 -7.923 -12.829 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.724 -5.280 -12.434 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.918 -5.888 -12.512 1.00 0.00 H new ATOM 1140 N VAL A 78 1.075 -7.056 -7.542 1.00 0.00 N ATOM 1141 CA VAL A 78 2.208 -7.063 -6.624 1.00 0.00 C ATOM 1142 C VAL A 78 2.844 -8.447 -6.547 1.00 0.00 C ATOM 1143 O VAL A 78 4.034 -8.579 -6.261 1.00 0.00 O ATOM 1144 CB VAL A 78 1.786 -6.626 -5.209 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.887 -5.400 -5.274 1.00 0.00 C ATOM 1146 CG2 VAL A 78 1.091 -7.768 -4.483 1.00 0.00 C ATOM 0 H VAL A 78 0.174 -7.241 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 78 2.936 -6.352 -7.014 1.00 0.00 H new ATOM 0 HB VAL A 78 2.682 -6.361 -4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.599 -5.106 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.424 -4.580 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.007 -5.634 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.800 -7.441 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.203 -8.067 -5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.771 -8.616 -4.403 1.00 0.00 H new ATOM 1156 N ARG A 79 2.043 -9.475 -6.805 1.00 0.00 N ATOM 1157 CA ARG A 79 2.528 -10.850 -6.765 1.00 0.00 C ATOM 1158 C ARG A 79 3.527 -11.107 -7.890 1.00 0.00 C ATOM 1159 O ARG A 79 4.256 -12.099 -7.872 1.00 0.00 O ATOM 1160 CB ARG A 79 1.358 -11.829 -6.874 1.00 0.00 C ATOM 1161 CG ARG A 79 0.609 -11.740 -8.194 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.789 -12.328 -8.082 1.00 0.00 C ATOM 1163 NE ARG A 79 -1.736 -11.659 -8.970 1.00 0.00 N ATOM 1164 CZ ARG A 79 -1.827 -11.912 -10.271 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -1.033 -12.813 -10.832 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -2.715 -11.262 -11.014 1.00 0.00 N ATOM 0 H ARG A 79 1.056 -9.383 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 79 3.033 -11.003 -5.811 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.732 -12.845 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.661 -11.641 -6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.543 -10.698 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.167 -12.269 -8.967 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.756 -13.391 -8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.136 -12.244 -7.052 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.361 -10.960 -8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.350 -13.314 -10.265 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.105 -13.005 -11.831 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.328 -10.568 -10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.784 -11.457 -12.013 1.00 0.00 H new ATOM 1180 N THR A 80 3.554 -10.208 -8.868 1.00 0.00 N ATOM 1181 CA THR A 80 4.461 -10.338 -10.001 1.00 0.00 C ATOM 1182 C THR A 80 5.587 -9.314 -9.924 1.00 0.00 C ATOM 1183 O THR A 80 6.733 -9.609 -10.266 1.00 0.00 O ATOM 1184 CB THR A 80 3.716 -10.166 -11.339 1.00 0.00 C ATOM 1185 OG1 THR A 80 3.358 -8.792 -11.528 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.466 -11.031 -11.377 1.00 0.00 C ATOM 0 H THR A 80 2.958 -9.381 -8.898 1.00 0.00 H new ATOM 0 HA THR A 80 4.883 -11.342 -9.955 1.00 0.00 H new ATOM 0 HB THR A 80 4.381 -10.481 -12.143 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.294 -8.599 -12.487 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.957 -10.893 -12.331 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.745 -12.079 -11.263 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.799 -10.742 -10.565 1.00 0.00 H new ATOM 1194 N LEU A 81 5.255 -8.109 -9.474 1.00 0.00 N ATOM 1195 CA LEU A 81 6.240 -7.040 -9.351 1.00 0.00 C ATOM 1196 C LEU A 81 7.334 -7.419 -8.357 1.00 0.00 C ATOM 1197 O LEU A 81 7.200 -8.390 -7.612 1.00 0.00 O ATOM 1198 CB LEU A 81 5.561 -5.742 -8.910 1.00 0.00 C ATOM 1199 CG LEU A 81 4.849 -4.951 -10.007 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.953 -3.883 -9.399 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.861 -4.323 -10.955 1.00 0.00 C ATOM 0 H LEU A 81 4.311 -7.848 -9.188 1.00 0.00 H new ATOM 0 HA LEU A 81 6.699 -6.888 -10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.835 -5.981 -8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.314 -5.098 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 81 4.225 -5.639 -10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.454 -3.330 -10.195 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.205 -4.355 -8.762 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.556 -3.197 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.336 -3.764 -11.729 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.511 -3.648 -10.398 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.461 -5.106 -11.417 1.00 0.00 H new ATOM 1213 N ARG A 82 8.414 -6.644 -8.349 1.00 0.00 N ATOM 1214 CA ARG A 82 9.529 -6.897 -7.446 1.00 0.00 C ATOM 1215 C ARG A 82 9.379 -6.093 -6.157 1.00 0.00 C ATOM 1216 O ARG A 82 8.686 -5.076 -6.125 1.00 0.00 O ATOM 1217 CB ARG A 82 10.854 -6.547 -8.126 1.00 0.00 C ATOM 1218 CG ARG A 82 11.242 -7.512 -9.235 1.00 0.00 C ATOM 1219 CD ARG A 82 12.589 -7.150 -9.842 1.00 0.00 C ATOM 1220 NE ARG A 82 12.504 -6.960 -11.287 1.00 0.00 N ATOM 1221 CZ ARG A 82 12.078 -7.895 -12.128 1.00 0.00 C ATOM 1222 NH1 ARG A 82 11.699 -9.080 -11.670 1.00 0.00 N ATOM 1223 NH2 ARG A 82 12.030 -7.646 -13.431 1.00 0.00 N ATOM 0 H ARG A 82 8.540 -5.836 -8.958 1.00 0.00 H new ATOM 0 HA ARG A 82 9.526 -7.958 -7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.786 -5.540 -8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.645 -6.531 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.281 -8.527 -8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.477 -7.502 -10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.962 -6.237 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.310 -7.938 -9.622 1.00 0.00 H new ATOM 0 HE ARG A 82 12.788 -6.059 -11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.734 -9.275 -10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.372 -9.797 -12.318 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.321 -6.735 -13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.703 -8.365 -14.076 1.00 0.00 H new ATOM 1237 N VAL A 83 10.033 -6.557 -5.097 1.00 0.00 N ATOM 1238 CA VAL A 83 9.973 -5.881 -3.806 1.00 0.00 C ATOM 1239 C VAL A 83 10.251 -4.390 -3.953 1.00 0.00 C ATOM 1240 O VAL A 83 9.427 -3.555 -3.582 1.00 0.00 O ATOM 1241 CB VAL A 83 10.981 -6.485 -2.810 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.116 -5.595 -1.583 1.00 0.00 C ATOM 1243 CG2 VAL A 83 10.560 -7.892 -2.414 1.00 0.00 C ATOM 0 H VAL A 83 10.610 -7.398 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 83 8.963 -6.022 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 83 11.955 -6.545 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.832 -6.037 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.466 -4.608 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.147 -5.502 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.283 -8.304 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.576 -7.859 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.518 -8.523 -3.302 1.00 0.00 H new ATOM 1253 N GLU A 84 11.419 -4.062 -4.498 1.00 0.00 N ATOM 1254 CA GLU A 84 11.806 -2.670 -4.694 1.00 0.00 C ATOM 1255 C GLU A 84 10.667 -1.872 -5.324 1.00 0.00 C ATOM 1256 O GLU A 84 10.522 -0.676 -5.073 1.00 0.00 O ATOM 1257 CB GLU A 84 13.053 -2.583 -5.576 1.00 0.00 C ATOM 1258 CG GLU A 84 12.768 -2.789 -7.055 1.00 0.00 C ATOM 1259 CD GLU A 84 13.975 -2.501 -7.927 1.00 0.00 C ATOM 1260 OE1 GLU A 84 15.106 -2.523 -7.399 1.00 0.00 O ATOM 1261 OE2 GLU A 84 13.788 -2.255 -9.137 1.00 0.00 O ATOM 0 H GLU A 84 12.113 -4.741 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 84 12.030 -2.241 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.519 -1.607 -5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.774 -3.331 -5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.443 -3.816 -7.219 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.944 -2.142 -7.356 1.00 0.00 H new ATOM 1268 N GLU A 85 9.864 -2.544 -6.142 1.00 0.00 N ATOM 1269 CA GLU A 85 8.739 -1.897 -6.808 1.00 0.00 C ATOM 1270 C GLU A 85 7.563 -1.728 -5.850 1.00 0.00 C ATOM 1271 O GLU A 85 7.025 -0.631 -5.698 1.00 0.00 O ATOM 1272 CB GLU A 85 8.304 -2.712 -8.028 1.00 0.00 C ATOM 1273 CG GLU A 85 8.622 -2.040 -9.353 1.00 0.00 C ATOM 1274 CD GLU A 85 10.112 -1.854 -9.570 1.00 0.00 C ATOM 1275 OE1 GLU A 85 10.845 -2.864 -9.553 1.00 0.00 O ATOM 1276 OE2 GLU A 85 10.543 -0.697 -9.756 1.00 0.00 O ATOM 0 H GLU A 85 9.971 -3.535 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 85 9.063 -0.909 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.793 -3.686 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.231 -2.893 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.212 -2.638 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.129 -1.069 -9.391 1.00 0.00 H new ATOM 1283 N VAL A 86 7.169 -2.822 -5.207 1.00 0.00 N ATOM 1284 CA VAL A 86 6.058 -2.796 -4.263 1.00 0.00 C ATOM 1285 C VAL A 86 6.333 -1.829 -3.117 1.00 0.00 C ATOM 1286 O VAL A 86 5.408 -1.324 -2.483 1.00 0.00 O ATOM 1287 CB VAL A 86 5.780 -4.196 -3.684 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.441 -4.219 -2.962 1.00 0.00 C ATOM 1289 CG2 VAL A 86 5.820 -5.245 -4.785 1.00 0.00 C ATOM 0 H VAL A 86 7.603 -3.738 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 86 5.181 -2.459 -4.816 1.00 0.00 H new ATOM 0 HB VAL A 86 6.560 -4.433 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.262 -5.216 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.455 -3.496 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.646 -3.962 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.622 -6.228 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.063 -5.015 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.805 -5.244 -5.252 1.00 0.00 H new ATOM 1299 N GLU A 87 7.612 -1.576 -2.857 1.00 0.00 N ATOM 1300 CA GLU A 87 8.009 -0.669 -1.787 1.00 0.00 C ATOM 1301 C GLU A 87 8.158 0.757 -2.309 1.00 0.00 C ATOM 1302 O GLU A 87 7.784 1.718 -1.636 1.00 0.00 O ATOM 1303 CB GLU A 87 9.323 -1.133 -1.156 1.00 0.00 C ATOM 1304 CG GLU A 87 9.156 -2.282 -0.175 1.00 0.00 C ATOM 1305 CD GLU A 87 9.415 -1.865 1.260 1.00 0.00 C ATOM 1306 OE1 GLU A 87 8.466 -1.397 1.923 1.00 0.00 O ATOM 1307 OE2 GLU A 87 10.567 -2.009 1.720 1.00 0.00 O ATOM 0 H GLU A 87 8.390 -1.986 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 87 7.227 -0.679 -1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.008 -1.439 -1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.786 -0.291 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.145 -2.681 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.839 -3.087 -0.445 1.00 0.00 H new ATOM 1314 N ASP A 88 8.708 0.886 -3.511 1.00 0.00 N ATOM 1315 CA ASP A 88 8.906 2.194 -4.125 1.00 0.00 C ATOM 1316 C ASP A 88 7.570 2.883 -4.381 1.00 0.00 C ATOM 1317 O ASP A 88 7.416 4.076 -4.123 1.00 0.00 O ATOM 1318 CB ASP A 88 9.681 2.053 -5.436 1.00 0.00 C ATOM 1319 CG ASP A 88 11.180 2.155 -5.237 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.613 2.978 -4.403 1.00 0.00 O ATOM 1321 OD2 ASP A 88 11.921 1.414 -5.916 1.00 0.00 O ATOM 0 H ASP A 88 9.025 0.101 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 88 9.484 2.808 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.443 1.093 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.356 2.827 -6.131 1.00 0.00 H new ATOM 1326 N ALA A 89 6.606 2.123 -4.890 1.00 0.00 N ATOM 1327 CA ALA A 89 5.282 2.660 -5.180 1.00 0.00 C ATOM 1328 C ALA A 89 4.738 3.449 -3.993 1.00 0.00 C ATOM 1329 O ALA A 89 4.157 4.521 -4.164 1.00 0.00 O ATOM 1330 CB ALA A 89 4.326 1.536 -5.551 1.00 0.00 C ATOM 0 H ALA A 89 6.717 1.133 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 89 5.371 3.341 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.341 1.952 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.700 1.017 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.251 0.834 -4.721 1.00 0.00 H new ATOM 1336 N ILE A 90 4.931 2.912 -2.793 1.00 0.00 N ATOM 1337 CA ILE A 90 4.459 3.567 -1.579 1.00 0.00 C ATOM 1338 C ILE A 90 5.235 4.853 -1.312 1.00 0.00 C ATOM 1339 O ILE A 90 4.685 5.829 -0.801 1.00 0.00 O ATOM 1340 CB ILE A 90 4.584 2.641 -0.355 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.341 1.187 -0.762 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.606 3.064 0.731 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.189 1.014 -1.727 1.00 0.00 C ATOM 0 H ILE A 90 5.411 2.026 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 90 3.407 3.806 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 90 5.596 2.723 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.248 0.789 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.147 0.595 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.706 2.400 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.822 4.088 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.588 3.008 0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.075 -0.042 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.271 1.381 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.390 1.578 -2.638 1.00 0.00 H new ATOM 1355 N LYS A 91 6.517 4.847 -1.662 1.00 0.00 N ATOM 1356 CA LYS A 91 7.370 6.013 -1.463 1.00 0.00 C ATOM 1357 C LYS A 91 7.022 7.118 -2.456 1.00 0.00 C ATOM 1358 O LYS A 91 7.113 8.302 -2.137 1.00 0.00 O ATOM 1359 CB LYS A 91 8.843 5.625 -1.612 1.00 0.00 C ATOM 1360 CG LYS A 91 9.375 4.801 -0.452 1.00 0.00 C ATOM 1361 CD LYS A 91 10.893 4.818 -0.406 1.00 0.00 C ATOM 1362 CE LYS A 91 11.486 3.637 -1.159 1.00 0.00 C ATOM 1363 NZ LYS A 91 12.345 2.794 -0.282 1.00 0.00 N ATOM 0 H LYS A 91 6.988 4.047 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 91 7.200 6.388 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.970 5.061 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.441 6.531 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.977 5.191 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.024 3.773 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.261 5.748 -0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.227 4.795 0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.681 3.029 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.074 4.002 -2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.730 2.000 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.128 3.368 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.778 2.425 0.508 1.00 0.00 H new ATOM 1377 N GLN A 92 6.621 6.720 -3.660 1.00 0.00 N ATOM 1378 CA GLN A 92 6.259 7.678 -4.698 1.00 0.00 C ATOM 1379 C GLN A 92 4.995 8.441 -4.317 1.00 0.00 C ATOM 1380 O GLN A 92 3.882 8.021 -4.637 1.00 0.00 O ATOM 1381 CB GLN A 92 6.053 6.960 -6.033 1.00 0.00 C ATOM 1382 CG GLN A 92 7.334 6.389 -6.621 1.00 0.00 C ATOM 1383 CD GLN A 92 7.983 7.323 -7.623 1.00 0.00 C ATOM 1384 OE1 GLN A 92 7.717 8.525 -7.632 1.00 0.00 O ATOM 1385 NE2 GLN A 92 8.841 6.773 -8.475 1.00 0.00 N ATOM 0 H GLN A 92 6.539 5.743 -3.940 1.00 0.00 H new ATOM 0 HA GLN A 92 7.076 8.393 -4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.335 6.152 -5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.614 7.657 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.038 6.181 -5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.114 5.438 -7.106 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.032 5.772 -8.432 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.309 7.352 -9.172 1.00 0.00 H new ATOM 1394 N THR A 93 5.172 9.566 -3.631 1.00 0.00 N ATOM 1395 CA THR A 93 4.046 10.387 -3.205 1.00 0.00 C ATOM 1396 C THR A 93 3.976 11.682 -4.007 1.00 0.00 C ATOM 1397 O THR A 93 3.534 12.713 -3.500 1.00 0.00 O ATOM 1398 CB THR A 93 4.136 10.729 -1.706 1.00 0.00 C ATOM 1399 OG1 THR A 93 4.918 11.914 -1.519 1.00 0.00 O ATOM 1400 CG2 THR A 93 4.753 9.579 -0.925 1.00 0.00 C ATOM 0 H THR A 93 6.085 9.929 -3.359 1.00 0.00 H new ATOM 0 HA THR A 93 3.143 9.803 -3.383 1.00 0.00 H new ATOM 0 HB THR A 93 3.126 10.899 -1.334 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.453 12.679 -1.918 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.806 9.844 0.131 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.139 8.687 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.757 9.381 -1.301 1.00 0.00 H new ATOM 1408 N SER A 94 4.414 11.621 -5.260 1.00 0.00 N ATOM 1409 CA SER A 94 4.404 12.791 -6.131 1.00 0.00 C ATOM 1410 C SER A 94 3.258 12.710 -7.135 1.00 0.00 C ATOM 1411 O SER A 94 2.939 13.690 -7.808 1.00 0.00 O ATOM 1412 CB SER A 94 5.738 12.914 -6.871 1.00 0.00 C ATOM 1413 OG SER A 94 5.847 14.169 -7.519 1.00 0.00 O ATOM 0 H SER A 94 4.780 10.774 -5.695 1.00 0.00 H new ATOM 0 HA SER A 94 4.259 13.675 -5.510 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.561 12.792 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.826 12.113 -7.605 1.00 0.00 H new ATOM 0 HG SER A 94 4.951 14.526 -7.694 1.00 0.00 H new ATOM 1419 N GLN A 95 2.644 11.536 -7.229 1.00 0.00 N ATOM 1420 CA GLN A 95 1.534 11.326 -8.151 1.00 0.00 C ATOM 1421 C GLN A 95 0.379 10.610 -7.459 1.00 0.00 C ATOM 1422 O GLN A 95 0.435 10.332 -6.261 1.00 0.00 O ATOM 1423 CB GLN A 95 1.997 10.519 -9.365 1.00 0.00 C ATOM 1424 CG GLN A 95 3.044 11.231 -10.206 1.00 0.00 C ATOM 1425 CD GLN A 95 2.435 12.054 -11.324 1.00 0.00 C ATOM 1426 OE1 GLN A 95 1.548 11.588 -12.040 1.00 0.00 O ATOM 1427 NE2 GLN A 95 2.907 13.285 -11.479 1.00 0.00 N ATOM 0 H GLN A 95 2.896 10.715 -6.678 1.00 0.00 H new ATOM 0 HA GLN A 95 1.183 12.302 -8.486 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.403 9.567 -9.024 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.134 10.292 -9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.639 11.881 -9.564 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.725 10.494 -10.632 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.643 13.630 -10.863 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.534 13.885 -12.214 1.00 0.00 H new ATOM 1436 N THR A 96 -0.669 10.312 -8.222 1.00 0.00 N ATOM 1437 CA THR A 96 -1.838 9.629 -7.682 1.00 0.00 C ATOM 1438 C THR A 96 -1.478 8.235 -7.183 1.00 0.00 C ATOM 1439 O THR A 96 -0.887 7.436 -7.912 1.00 0.00 O ATOM 1440 CB THR A 96 -2.956 9.512 -8.735 1.00 0.00 C ATOM 1441 OG1 THR A 96 -2.480 9.966 -10.007 1.00 0.00 O ATOM 1442 CG2 THR A 96 -4.174 10.326 -8.324 1.00 0.00 C ATOM 0 H THR A 96 -0.732 10.533 -9.216 1.00 0.00 H new ATOM 0 HA THR A 96 -2.197 10.230 -6.846 1.00 0.00 H new ATOM 0 HB THR A 96 -3.247 8.464 -8.809 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.196 9.887 -10.671 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.950 10.228 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.551 9.959 -7.369 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.894 11.375 -8.225 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.836 7.947 -5.937 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.552 6.647 -5.339 1.00 0.00 C ATOM 1452 C LEU A 97 -2.829 5.829 -5.180 1.00 0.00 C ATOM 1453 O LEU A 97 -3.713 6.187 -4.403 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.875 6.826 -3.979 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.520 5.540 -3.232 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.191 4.425 -4.213 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.645 5.778 -2.283 1.00 0.00 C ATOM 0 H LEU A 97 -2.324 8.597 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.879 6.108 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.039 7.403 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.531 7.422 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.385 5.235 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.059 3.518 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.054 4.236 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.658 4.721 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.883 4.852 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.515 6.109 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.372 6.544 -1.557 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.917 4.729 -5.921 1.00 0.00 N ATOM 1470 CA GLN A 98 -4.087 3.859 -5.860 1.00 0.00 C ATOM 1471 C GLN A 98 -3.784 2.595 -5.063 1.00 0.00 C ATOM 1472 O GLN A 98 -2.704 2.015 -5.184 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.546 3.489 -7.271 1.00 0.00 C ATOM 1474 CG GLN A 98 -5.956 3.957 -7.595 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.572 3.198 -8.753 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -6.340 2.000 -8.919 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.364 3.893 -9.562 1.00 0.00 N ATOM 0 H GLN A 98 -2.194 4.419 -6.570 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.887 4.401 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.854 3.921 -7.994 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.496 2.407 -7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.585 3.839 -6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.936 5.021 -7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.529 4.884 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.808 3.435 -10.358 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.744 2.172 -4.248 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.580 0.975 -3.429 1.00 0.00 C ATOM 1488 C LEU A 99 -5.787 0.053 -3.566 1.00 0.00 C ATOM 1489 O LEU A 99 -6.933 0.506 -3.556 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.382 1.360 -1.962 1.00 0.00 C ATOM 1491 CG LEU A 99 -3.080 2.091 -1.630 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -3.253 2.951 -0.387 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.944 1.096 -1.439 1.00 0.00 C ATOM 0 H LEU A 99 -5.644 2.639 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.697 0.442 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.217 1.990 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.430 0.453 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.828 2.744 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.317 3.463 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.038 3.687 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.529 2.319 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.025 1.633 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.188 0.418 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.804 0.523 -2.356 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.524 -1.243 -3.691 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.589 -2.230 -3.828 1.00 0.00 C ATOM 1507 C LEU A 100 -6.626 -3.161 -2.620 1.00 0.00 C ATOM 1508 O LEU A 100 -5.750 -4.011 -2.452 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.395 -3.045 -5.108 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.597 -3.871 -5.566 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -8.585 -3.000 -6.326 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.144 -5.041 -6.426 1.00 0.00 C ATOM 0 H LEU A 100 -4.582 -1.635 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.539 -1.698 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.121 -2.362 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.551 -3.719 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.098 -4.268 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.434 -3.605 -6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.935 -2.196 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.095 -2.573 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.013 -5.618 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.618 -4.665 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.476 -5.680 -5.849 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.645 -2.997 -1.784 1.00 0.00 N ATOM 1525 CA ILE A 101 -7.798 -3.825 -0.594 1.00 0.00 C ATOM 1526 C ILE A 101 -8.883 -4.877 -0.792 1.00 0.00 C ATOM 1527 O ILE A 101 -9.869 -4.642 -1.490 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.142 -2.975 0.643 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -7.336 -1.675 0.636 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -7.876 -3.762 1.918 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -5.874 -1.868 0.973 1.00 0.00 C ATOM 0 H ILE A 101 -8.377 -2.298 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.841 -4.320 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.202 -2.724 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.416 -1.213 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.777 -0.980 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.124 -3.147 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.490 -4.663 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.823 -4.041 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -5.365 -0.905 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -5.784 -2.301 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.418 -2.538 0.244 1.00 0.00 H new ATOM 1543 N GLU A 102 -8.696 -6.038 -0.171 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.660 -7.126 -0.279 1.00 0.00 C ATOM 1545 C GLU A 102 -10.562 -7.178 0.952 1.00 0.00 C ATOM 1546 O GLU A 102 -10.084 -7.146 2.086 1.00 0.00 O ATOM 1547 CB GLU A 102 -8.937 -8.463 -0.452 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.860 -9.611 -0.825 1.00 0.00 C ATOM 1549 CD GLU A 102 -9.629 -10.845 0.025 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -10.255 -10.951 1.100 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -8.822 -11.706 -0.386 1.00 0.00 O ATOM 0 H GLU A 102 -7.886 -6.249 0.412 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.281 -6.941 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.174 -8.357 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.421 -8.710 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.896 -9.289 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.712 -9.865 -1.875 1.00 0.00 H new ATOM 1558 N HIS A 103 -11.868 -7.258 0.718 1.00 0.00 N ATOM 1559 CA HIS A 103 -12.837 -7.314 1.807 1.00 0.00 C ATOM 1560 C HIS A 103 -13.213 -8.758 2.125 1.00 0.00 C ATOM 1561 O HIS A 103 -14.094 -9.335 1.487 1.00 0.00 O ATOM 1562 CB HIS A 103 -14.090 -6.516 1.445 1.00 0.00 C ATOM 1563 CG HIS A 103 -15.096 -6.446 2.552 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -16.326 -7.065 2.491 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -15.048 -5.826 3.754 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -16.992 -6.828 3.607 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -16.238 -6.078 4.390 1.00 0.00 N ATOM 0 H HIS A 103 -12.279 -7.285 -0.215 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.378 -6.873 2.692 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.798 -5.504 1.166 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -14.557 -6.966 0.569 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -14.226 -5.242 4.141 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -17.984 -7.186 3.839 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -16.498 -5.741 5.317 1.00 0.00 H new