USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 601 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 16 THR OG1 : rot 72:sc= -0.968! USER MOD Set 1.2: A 19 ASN :FLIP amide:sc= -1.73! C(o=-11!,f=-2.7!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.24 F(o=-1.9!,f=-1.2) USER MOD Single : A 26 ASN : amide:sc= -2.94 K(o=-2.9,f=-9.2!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 0.393 (180deg=-0.0746) USER MOD Single : A 39 SER OG : rot 74:sc= 0.0699 USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -0.0418 (180deg=-0.515) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.73 F(o=-3.6!,f=-1.7) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 159:sc= -0.827! USER MOD Single : A 57 ASN : amide:sc= 0.971 K(o=0.97,f=-0.43) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -4.39! USER MOD Single : A 67 SER OG : rot -98:sc= -1.64! USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 0.00967 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 87:sc= -4.38! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 70.575 10.481 -2.158 1.00 0.00 N ATOM 191 CA THR A 15 70.600 11.198 -0.851 1.00 0.00 C ATOM 192 C THR A 15 72.027 11.629 -0.513 1.00 0.00 C ATOM 193 O THR A 15 72.251 12.493 0.311 1.00 0.00 O ATOM 194 CB THR A 15 70.074 10.179 0.167 1.00 0.00 C ATOM 195 OG1 THR A 15 69.559 10.867 1.298 1.00 0.00 O ATOM 196 CG2 THR A 15 71.200 9.239 0.609 1.00 0.00 C ATOM 0 HA THR A 15 69.997 12.106 -0.860 1.00 0.00 H new ATOM 0 HB THR A 15 69.284 9.588 -0.297 1.00 0.00 H new ATOM 0 HG1 THR A 15 69.221 10.218 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 15 70.812 8.521 1.332 1.00 0.00 H new ATOM 0 HG22 THR A 15 71.591 8.706 -0.258 1.00 0.00 H new ATOM 0 HG23 THR A 15 72.000 9.820 1.068 1.00 0.00 H new ATOM 204 N THR A 16 72.990 11.027 -1.145 1.00 0.00 N ATOM 205 CA THR A 16 74.408 11.391 -0.866 1.00 0.00 C ATOM 206 C THR A 16 75.189 11.544 -2.173 1.00 0.00 C ATOM 207 O THR A 16 74.803 11.015 -3.196 1.00 0.00 O ATOM 208 CB THR A 16 74.964 10.227 -0.050 1.00 0.00 C ATOM 209 OG1 THR A 16 74.334 9.022 -0.462 1.00 0.00 O ATOM 210 CG2 THR A 16 74.692 10.465 1.433 1.00 0.00 C ATOM 0 H THR A 16 72.859 10.297 -1.845 1.00 0.00 H new ATOM 0 HA THR A 16 74.488 12.340 -0.336 1.00 0.00 H new ATOM 0 HB THR A 16 76.039 10.150 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 16 74.657 8.772 -1.353 1.00 0.00 H new ATOM 0 HG21 THR A 16 75.090 9.633 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 16 75.174 11.390 1.747 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.617 10.542 1.598 1.00 0.00 H new ATOM 218 N PRO A 17 76.262 12.279 -2.088 1.00 0.00 N ATOM 219 CA PRO A 17 77.116 12.525 -3.271 1.00 0.00 C ATOM 220 C PRO A 17 78.031 11.326 -3.541 1.00 0.00 C ATOM 221 O PRO A 17 78.389 11.052 -4.670 1.00 0.00 O ATOM 222 CB PRO A 17 77.936 13.744 -2.870 1.00 0.00 C ATOM 223 CG PRO A 17 77.976 13.722 -1.372 1.00 0.00 C ATOM 224 CD PRO A 17 76.770 12.952 -0.890 1.00 0.00 C ATOM 0 HA PRO A 17 76.541 12.678 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 17 78.941 13.697 -3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 17 77.479 14.663 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 17 78.895 13.252 -1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 17 77.965 14.737 -0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 17 77.041 12.234 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 17 76.021 13.617 -0.460 1.00 0.00 H new ATOM 232 N PHE A 18 78.426 10.614 -2.518 1.00 0.00 N ATOM 233 CA PHE A 18 79.331 9.449 -2.735 1.00 0.00 C ATOM 234 C PHE A 18 78.556 8.130 -2.642 1.00 0.00 C ATOM 235 O PHE A 18 78.211 7.673 -1.571 1.00 0.00 O ATOM 236 CB PHE A 18 80.370 9.548 -1.620 1.00 0.00 C ATOM 237 CG PHE A 18 81.268 10.732 -1.885 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.097 10.740 -3.014 1.00 0.00 C ATOM 239 CD2 PHE A 18 81.269 11.823 -1.008 1.00 0.00 C ATOM 240 CE1 PHE A 18 82.928 11.838 -3.264 1.00 0.00 C ATOM 241 CE2 PHE A 18 82.099 12.923 -1.261 1.00 0.00 C ATOM 242 CZ PHE A 18 82.929 12.929 -2.387 1.00 0.00 C ATOM 0 H PHE A 18 78.163 10.788 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 18 79.788 9.464 -3.725 1.00 0.00 H new ATOM 0 HB2 PHE A 18 79.876 9.659 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 18 80.959 8.632 -1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.095 9.899 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 18 80.630 11.817 -0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 18 83.568 11.844 -4.134 1.00 0.00 H new ATOM 0 HE2 PHE A 18 82.098 13.767 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.571 13.776 -2.580 1.00 0.00 H new ATOM 252 N ASN A 19 78.292 7.513 -3.763 1.00 0.00 N ATOM 253 CA ASN A 19 77.552 6.222 -3.759 1.00 0.00 C ATOM 254 C ASN A 19 78.201 5.263 -4.758 1.00 0.00 C ATOM 255 O ASN A 19 78.750 5.676 -5.761 1.00 0.00 O ATOM 256 CB ASN A 19 76.131 6.568 -4.206 1.00 0.00 C ATOM 257 CG ASN A 19 75.681 7.880 -3.557 1.00 0.00 C ATOM 258 OD1 ASN A 19 75.917 8.082 -2.291 1.00 0.00 O flip ATOM 259 ND2 ASN A 19 75.109 8.729 -4.210 1.00 0.00 N flip ATOM 0 H ASN A 19 78.560 7.852 -4.687 1.00 0.00 H new ATOM 0 HA ASN A 19 77.560 5.741 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.095 6.659 -5.292 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.449 5.764 -3.930 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.924 8.572 -5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.814 9.599 -3.768 1.00 0.00 H new ATOM 266 N LEU A 20 78.146 3.991 -4.496 1.00 0.00 N ATOM 267 CA LEU A 20 78.763 3.013 -5.435 1.00 0.00 C ATOM 268 C LEU A 20 78.245 1.601 -5.153 1.00 0.00 C ATOM 269 O LEU A 20 77.384 1.400 -4.320 1.00 0.00 O ATOM 270 CB LEU A 20 80.265 3.097 -5.163 1.00 0.00 C ATOM 271 CG LEU A 20 80.525 2.935 -3.664 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.320 1.473 -3.265 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.964 3.350 -3.352 1.00 0.00 C ATOM 0 H LEU A 20 77.701 3.584 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 20 78.522 3.234 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.790 2.320 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.654 4.055 -5.508 1.00 0.00 H new ATOM 0 HG LEU A 20 79.833 3.564 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.505 1.358 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.296 1.175 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 20 81.012 0.843 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 20 82.152 3.236 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.654 2.719 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 20 82.112 4.392 -3.637 1.00 0.00 H new ATOM 285 N PHE A 21 78.765 0.622 -5.841 1.00 0.00 N ATOM 286 CA PHE A 21 78.302 -0.775 -5.612 1.00 0.00 C ATOM 287 C PHE A 21 79.391 -1.584 -4.902 1.00 0.00 C ATOM 288 O PHE A 21 80.525 -1.161 -4.801 1.00 0.00 O ATOM 289 CB PHE A 21 78.039 -1.340 -7.008 1.00 0.00 C ATOM 290 CG PHE A 21 77.290 -2.646 -6.890 1.00 0.00 C ATOM 291 CD1 PHE A 21 77.996 -3.851 -6.790 1.00 0.00 C ATOM 292 CD2 PHE A 21 75.890 -2.652 -6.880 1.00 0.00 C ATOM 293 CE1 PHE A 21 77.302 -5.061 -6.680 1.00 0.00 C ATOM 294 CE2 PHE A 21 75.196 -3.863 -6.770 1.00 0.00 C ATOM 295 CZ PHE A 21 75.902 -5.068 -6.671 1.00 0.00 C ATOM 0 H PHE A 21 79.490 0.729 -6.551 1.00 0.00 H new ATOM 0 HA PHE A 21 77.414 -0.817 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 21 77.460 -0.628 -7.597 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.982 -1.495 -7.533 1.00 0.00 H new ATOM 0 HD1 PHE A 21 79.076 -3.847 -6.798 1.00 0.00 H new ATOM 0 HD2 PHE A 21 75.345 -1.723 -6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 21 77.847 -5.990 -6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 21 74.116 -3.868 -6.762 1.00 0.00 H new ATOM 0 HZ PHE A 21 75.367 -6.002 -6.588 1.00 0.00 H new ATOM 305 N ILE A 22 79.053 -2.744 -4.410 1.00 0.00 N ATOM 306 CA ILE A 22 80.065 -3.580 -3.707 1.00 0.00 C ATOM 307 C ILE A 22 79.761 -5.063 -3.941 1.00 0.00 C ATOM 308 O ILE A 22 78.654 -5.432 -4.271 1.00 0.00 O ATOM 309 CB ILE A 22 79.917 -3.211 -2.227 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.701 -1.926 -1.946 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.460 -4.337 -1.345 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.366 -1.420 -0.542 1.00 0.00 C ATOM 0 H ILE A 22 78.118 -3.149 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 22 81.081 -3.407 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 22 78.861 -3.060 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.771 -2.115 -2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 22 80.452 -1.166 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.349 -4.063 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.904 -5.253 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.515 -4.498 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 22 80.924 -0.505 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.298 -1.215 -0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.637 -2.178 0.192 1.00 0.00 H new ATOM 324 N GLY A 23 80.736 -5.914 -3.774 1.00 0.00 N ATOM 325 CA GLY A 23 80.500 -7.370 -3.989 1.00 0.00 C ATOM 326 C GLY A 23 81.181 -8.169 -2.877 1.00 0.00 C ATOM 327 O GLY A 23 81.810 -7.615 -1.997 1.00 0.00 O ATOM 0 H GLY A 23 81.686 -5.664 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.430 -7.578 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.891 -7.673 -4.960 1.00 0.00 H new ATOM 331 N ASN A 24 81.062 -9.469 -2.910 1.00 0.00 N ATOM 332 CA ASN A 24 81.703 -10.310 -1.855 1.00 0.00 C ATOM 333 C ASN A 24 80.983 -10.124 -0.517 1.00 0.00 C ATOM 334 O ASN A 24 81.294 -9.235 0.251 1.00 0.00 O ATOM 335 CB ASN A 24 83.148 -9.813 -1.766 1.00 0.00 C ATOM 336 CG ASN A 24 84.067 -10.975 -1.384 1.00 0.00 C ATOM 337 OD1 ASN A 24 84.552 -11.036 -0.174 1.00 0.00 O flip ATOM 338 ND2 ASN A 24 84.346 -11.835 -2.195 1.00 0.00 N flip ATOM 0 H ASN A 24 80.548 -9.987 -3.623 1.00 0.00 H new ATOM 0 HA ASN A 24 81.656 -11.373 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 24 83.457 -9.390 -2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 24 83.225 -9.017 -1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 24 83.967 -11.787 -3.141 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.960 -12.606 -1.931 1.00 0.00 H new ATOM 345 N LEU A 25 80.023 -10.962 -0.234 1.00 0.00 N ATOM 346 CA LEU A 25 79.278 -10.842 1.053 1.00 0.00 C ATOM 347 C LEU A 25 78.902 -12.230 1.570 1.00 0.00 C ATOM 348 O LEU A 25 78.371 -13.050 0.849 1.00 0.00 O ATOM 349 CB LEU A 25 78.023 -10.038 0.713 1.00 0.00 C ATOM 350 CG LEU A 25 78.375 -8.551 0.631 1.00 0.00 C ATOM 351 CD1 LEU A 25 77.297 -7.814 -0.165 1.00 0.00 C ATOM 352 CD2 LEU A 25 78.453 -7.969 2.044 1.00 0.00 C ATOM 0 H LEU A 25 79.722 -11.726 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 25 79.870 -10.360 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 25 77.607 -10.377 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 25 77.258 -10.200 1.472 1.00 0.00 H new ATOM 0 HG LEU A 25 79.338 -8.432 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.548 -6.755 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 25 77.240 -8.229 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 25 76.334 -7.932 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.704 -6.910 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 25 77.490 -8.088 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.221 -8.494 2.612 1.00 0.00 H new ATOM 364 N ASN A 26 79.178 -12.490 2.817 1.00 0.00 N ATOM 365 CA ASN A 26 78.848 -13.818 3.406 1.00 0.00 C ATOM 366 C ASN A 26 77.497 -14.317 2.883 1.00 0.00 C ATOM 367 O ASN A 26 76.457 -13.910 3.362 1.00 0.00 O ATOM 368 CB ASN A 26 78.779 -13.558 4.908 1.00 0.00 C ATOM 369 CG ASN A 26 78.723 -14.889 5.660 1.00 0.00 C ATOM 370 OD1 ASN A 26 78.036 -15.804 5.248 1.00 0.00 O ATOM 371 ND2 ASN A 26 79.419 -15.037 6.752 1.00 0.00 N ATOM 0 H ASN A 26 79.622 -11.834 3.459 1.00 0.00 H new ATOM 0 HA ASN A 26 79.581 -14.583 3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 26 79.649 -12.985 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.899 -12.959 5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 26 79.388 -15.920 7.261 1.00 0.00 H new ATOM 0 HD22 ASN A 26 79.995 -14.270 7.097 1.00 0.00 H new ATOM 378 N PRO A 27 77.564 -15.184 1.910 1.00 0.00 N ATOM 379 CA PRO A 27 76.332 -15.749 1.308 1.00 0.00 C ATOM 380 C PRO A 27 75.692 -16.769 2.253 1.00 0.00 C ATOM 381 O PRO A 27 74.526 -17.090 2.139 1.00 0.00 O ATOM 382 CB PRO A 27 76.834 -16.425 0.036 1.00 0.00 C ATOM 383 CG PRO A 27 78.273 -16.737 0.300 1.00 0.00 C ATOM 384 CD PRO A 27 78.781 -15.716 1.287 1.00 0.00 C ATOM 0 HA PRO A 27 75.567 -14.998 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 27 76.267 -17.331 -0.178 1.00 0.00 H new ATOM 0 HB3 PRO A 27 76.725 -15.769 -0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 27 78.380 -17.745 0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.850 -16.698 -0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 27 79.441 -16.170 2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 27 79.351 -14.931 0.790 1.00 0.00 H new ATOM 392 N ASN A 28 76.444 -17.279 3.192 1.00 0.00 N ATOM 393 CA ASN A 28 75.874 -18.274 4.145 1.00 0.00 C ATOM 394 C ASN A 28 75.047 -17.557 5.213 1.00 0.00 C ATOM 395 O ASN A 28 74.290 -18.165 5.942 1.00 0.00 O ATOM 396 CB ASN A 28 77.085 -18.962 4.774 1.00 0.00 C ATOM 397 CG ASN A 28 77.486 -20.170 3.925 1.00 0.00 C ATOM 398 OD1 ASN A 28 76.743 -21.125 3.819 1.00 0.00 O ATOM 399 ND2 ASN A 28 78.637 -20.167 3.311 1.00 0.00 N ATOM 0 H ASN A 28 77.427 -17.050 3.340 1.00 0.00 H new ATOM 0 HA ASN A 28 75.213 -18.989 3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.918 -18.262 4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.849 -19.280 5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 28 78.913 -20.967 2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 28 79.261 -19.365 3.400 1.00 0.00 H new ATOM 406 N LYS A 29 75.187 -16.264 5.305 1.00 0.00 N ATOM 407 CA LYS A 29 74.413 -15.495 6.317 1.00 0.00 C ATOM 408 C LYS A 29 73.362 -14.627 5.622 1.00 0.00 C ATOM 409 O LYS A 29 72.936 -14.914 4.521 1.00 0.00 O ATOM 410 CB LYS A 29 75.449 -14.623 7.026 1.00 0.00 C ATOM 411 CG LYS A 29 75.553 -15.039 8.494 1.00 0.00 C ATOM 412 CD LYS A 29 74.376 -14.452 9.276 1.00 0.00 C ATOM 413 CE LYS A 29 74.470 -14.887 10.741 1.00 0.00 C ATOM 414 NZ LYS A 29 73.073 -14.815 11.253 1.00 0.00 N ATOM 0 H LYS A 29 75.807 -15.705 4.720 1.00 0.00 H new ATOM 0 HA LYS A 29 73.881 -16.142 7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.419 -14.725 6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.165 -13.573 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.552 -16.126 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.495 -14.689 8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.386 -13.364 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 29 73.434 -14.790 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.871 -15.897 10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.132 -14.231 11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 73.055 -15.099 12.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 72.720 -13.841 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 72.467 -15.455 10.700 1.00 0.00 H new ATOM 428 N SER A 30 72.944 -13.568 6.254 1.00 0.00 N ATOM 429 CA SER A 30 71.923 -12.682 5.625 1.00 0.00 C ATOM 430 C SER A 30 72.578 -11.401 5.108 1.00 0.00 C ATOM 431 O SER A 30 73.586 -10.953 5.622 1.00 0.00 O ATOM 432 CB SER A 30 70.938 -12.350 6.740 1.00 0.00 C ATOM 433 OG SER A 30 70.591 -13.543 7.432 1.00 0.00 O ATOM 0 H SER A 30 73.263 -13.276 7.178 1.00 0.00 H new ATOM 0 HA SER A 30 71.437 -13.163 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.381 -11.632 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 30 70.044 -11.884 6.325 1.00 0.00 H new ATOM 0 HG SER A 30 69.959 -13.332 8.151 1.00 0.00 H new ATOM 439 N VAL A 31 72.008 -10.799 4.103 1.00 0.00 N ATOM 440 CA VAL A 31 72.602 -9.543 3.572 1.00 0.00 C ATOM 441 C VAL A 31 72.414 -8.420 4.592 1.00 0.00 C ATOM 442 O VAL A 31 73.333 -7.684 4.893 1.00 0.00 O ATOM 443 CB VAL A 31 71.845 -9.236 2.278 1.00 0.00 C ATOM 444 CG1 VAL A 31 72.675 -8.275 1.425 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.610 -10.528 1.490 1.00 0.00 C ATOM 0 H VAL A 31 71.163 -11.119 3.630 1.00 0.00 H new ATOM 0 HA VAL A 31 73.671 -9.638 3.384 1.00 0.00 H new ATOM 0 HB VAL A 31 70.884 -8.784 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.140 -8.053 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 31 72.844 -7.351 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 31 73.634 -8.735 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.071 -10.300 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.569 -10.984 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.023 -11.220 2.093 1.00 0.00 H new ATOM 455 N ALA A 32 71.235 -8.291 5.138 1.00 0.00 N ATOM 456 CA ALA A 32 71.004 -7.223 6.150 1.00 0.00 C ATOM 457 C ALA A 32 72.110 -7.278 7.203 1.00 0.00 C ATOM 458 O ALA A 32 72.599 -6.266 7.664 1.00 0.00 O ATOM 459 CB ALA A 32 69.646 -7.546 6.772 1.00 0.00 C ATOM 0 H ALA A 32 70.426 -8.876 4.928 1.00 0.00 H new ATOM 0 HA ALA A 32 71.014 -6.222 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.406 -6.800 7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 32 68.879 -7.536 5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.683 -8.533 7.233 1.00 0.00 H new ATOM 465 N GLU A 33 72.515 -8.460 7.576 1.00 0.00 N ATOM 466 CA GLU A 33 73.601 -8.593 8.586 1.00 0.00 C ATOM 467 C GLU A 33 74.914 -8.096 7.983 1.00 0.00 C ATOM 468 O GLU A 33 75.693 -7.424 8.630 1.00 0.00 O ATOM 469 CB GLU A 33 73.676 -10.090 8.895 1.00 0.00 C ATOM 470 CG GLU A 33 72.304 -10.585 9.356 1.00 0.00 C ATOM 471 CD GLU A 33 72.087 -10.198 10.820 1.00 0.00 C ATOM 472 OE1 GLU A 33 72.892 -10.600 11.644 1.00 0.00 O ATOM 473 OE2 GLU A 33 71.119 -9.508 11.093 1.00 0.00 O ATOM 0 H GLU A 33 72.140 -9.341 7.224 1.00 0.00 H new ATOM 0 HA GLU A 33 73.416 -8.010 9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.994 -10.640 8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.420 -10.276 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.521 -10.151 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.239 -11.667 9.241 1.00 0.00 H new ATOM 480 N LEU A 34 75.156 -8.404 6.737 1.00 0.00 N ATOM 481 CA LEU A 34 76.398 -7.936 6.082 1.00 0.00 C ATOM 482 C LEU A 34 76.411 -6.412 6.089 1.00 0.00 C ATOM 483 O LEU A 34 77.437 -5.784 6.263 1.00 0.00 O ATOM 484 CB LEU A 34 76.301 -8.470 4.656 1.00 0.00 C ATOM 485 CG LEU A 34 76.525 -9.982 4.661 1.00 0.00 C ATOM 486 CD1 LEU A 34 75.908 -10.594 3.402 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.027 -10.271 4.683 1.00 0.00 C ATOM 0 H LEU A 34 74.540 -8.963 6.147 1.00 0.00 H new ATOM 0 HA LEU A 34 77.307 -8.275 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.323 -8.238 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 34 77.043 -7.984 4.023 1.00 0.00 H new ATOM 0 HG LEU A 34 76.055 -10.417 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.068 -11.672 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 34 74.838 -10.386 3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 34 76.378 -10.161 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.190 -11.349 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.494 -9.836 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 34 78.468 -9.834 5.579 1.00 0.00 H new ATOM 499 N LYS A 35 75.265 -5.815 5.917 1.00 0.00 N ATOM 500 CA LYS A 35 75.192 -4.331 5.929 1.00 0.00 C ATOM 501 C LYS A 35 75.629 -3.820 7.301 1.00 0.00 C ATOM 502 O LYS A 35 76.567 -3.057 7.424 1.00 0.00 O ATOM 503 CB LYS A 35 73.722 -3.997 5.670 1.00 0.00 C ATOM 504 CG LYS A 35 73.289 -4.597 4.331 1.00 0.00 C ATOM 505 CD LYS A 35 74.089 -3.950 3.198 1.00 0.00 C ATOM 506 CE LYS A 35 74.827 -5.035 2.410 1.00 0.00 C ATOM 507 NZ LYS A 35 75.863 -4.305 1.628 1.00 0.00 N ATOM 0 H LYS A 35 74.376 -6.293 5.769 1.00 0.00 H new ATOM 0 HA LYS A 35 75.840 -3.870 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.102 -4.391 6.475 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.580 -2.916 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 35 73.450 -5.675 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 35 72.222 -4.435 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 35 73.422 -3.396 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 35 74.802 -3.233 3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 35 75.280 -5.768 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 35 74.147 -5.578 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 76.574 -4.979 1.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 75.415 -3.826 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 76.324 -3.599 2.237 1.00 0.00 H new ATOM 521 N VAL A 36 74.965 -4.254 8.338 1.00 0.00 N ATOM 522 CA VAL A 36 75.353 -3.816 9.707 1.00 0.00 C ATOM 523 C VAL A 36 76.840 -4.066 9.910 1.00 0.00 C ATOM 524 O VAL A 36 77.521 -3.307 10.560 1.00 0.00 O ATOM 525 CB VAL A 36 74.537 -4.690 10.649 1.00 0.00 C ATOM 526 CG1 VAL A 36 74.672 -4.168 12.081 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.065 -4.662 10.233 1.00 0.00 C ATOM 0 H VAL A 36 74.171 -4.893 8.295 1.00 0.00 H new ATOM 0 HA VAL A 36 75.168 -2.756 9.879 1.00 0.00 H new ATOM 0 HB VAL A 36 74.908 -5.714 10.600 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.087 -4.795 12.754 1.00 0.00 H new ATOM 0 HG12 VAL A 36 75.720 -4.194 12.380 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.306 -3.143 12.131 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.484 -5.289 10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.694 -3.638 10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.967 -5.039 9.215 1.00 0.00 H new ATOM 537 N ALA A 37 77.355 -5.123 9.347 1.00 0.00 N ATOM 538 CA ALA A 37 78.807 -5.398 9.501 1.00 0.00 C ATOM 539 C ALA A 37 79.585 -4.275 8.831 1.00 0.00 C ATOM 540 O ALA A 37 80.633 -3.871 9.287 1.00 0.00 O ATOM 541 CB ALA A 37 79.047 -6.732 8.795 1.00 0.00 C ATOM 0 H ALA A 37 76.836 -5.803 8.791 1.00 0.00 H new ATOM 0 HA ALA A 37 79.127 -5.450 10.542 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.101 -6.998 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.443 -7.507 9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.768 -6.643 7.745 1.00 0.00 H new ATOM 547 N ILE A 38 79.061 -3.751 7.760 1.00 0.00 N ATOM 548 CA ILE A 38 79.748 -2.632 7.065 1.00 0.00 C ATOM 549 C ILE A 38 79.409 -1.322 7.778 1.00 0.00 C ATOM 550 O ILE A 38 80.176 -0.382 7.769 1.00 0.00 O ATOM 551 CB ILE A 38 79.188 -2.635 5.643 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.740 -3.843 4.881 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.604 -1.350 4.927 1.00 0.00 C ATOM 554 CD1 ILE A 38 78.600 -4.545 4.142 1.00 0.00 C ATOM 0 H ILE A 38 78.184 -4.051 7.335 1.00 0.00 H new ATOM 0 HA ILE A 38 80.833 -2.737 7.061 1.00 0.00 H new ATOM 0 HB ILE A 38 78.100 -2.693 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 38 80.503 -3.521 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 38 80.219 -4.535 5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.204 -1.353 3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.213 -0.489 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.692 -1.291 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 38 78.993 -5.405 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.852 -4.880 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.141 -3.851 3.438 1.00 0.00 H new ATOM 566 N SER A 39 78.268 -1.259 8.413 1.00 0.00 N ATOM 567 CA SER A 39 77.901 -0.012 9.139 1.00 0.00 C ATOM 568 C SER A 39 78.662 0.036 10.462 1.00 0.00 C ATOM 569 O SER A 39 78.998 1.088 10.972 1.00 0.00 O ATOM 570 CB SER A 39 76.396 -0.115 9.381 1.00 0.00 C ATOM 571 OG SER A 39 75.716 -0.078 8.133 1.00 0.00 O ATOM 0 H SER A 39 77.581 -2.011 8.459 1.00 0.00 H new ATOM 0 HA SER A 39 78.150 0.892 8.583 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.163 -1.040 9.908 1.00 0.00 H new ATOM 0 HB3 SER A 39 76.061 0.706 10.015 1.00 0.00 H new ATOM 0 HG SER A 39 75.841 -0.931 7.667 1.00 0.00 H new ATOM 577 N GLU A 40 78.949 -1.109 11.012 1.00 0.00 N ATOM 578 CA GLU A 40 79.697 -1.162 12.292 1.00 0.00 C ATOM 579 C GLU A 40 81.185 -0.983 12.018 1.00 0.00 C ATOM 580 O GLU A 40 81.898 -0.345 12.768 1.00 0.00 O ATOM 581 CB GLU A 40 79.409 -2.550 12.842 1.00 0.00 C ATOM 582 CG GLU A 40 79.159 -2.468 14.348 1.00 0.00 C ATOM 583 CD GLU A 40 80.492 -2.559 15.093 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.473 -2.050 14.576 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.509 -3.136 16.167 1.00 0.00 O ATOM 0 H GLU A 40 78.694 -2.017 10.624 1.00 0.00 H new ATOM 0 HA GLU A 40 79.406 -0.380 12.993 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.539 -2.976 12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.250 -3.213 12.639 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.656 -1.532 14.593 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.499 -3.276 14.662 1.00 0.00 H new ATOM 592 N LEU A 41 81.653 -1.532 10.936 1.00 0.00 N ATOM 593 CA LEU A 41 83.089 -1.389 10.590 1.00 0.00 C ATOM 594 C LEU A 41 83.370 0.062 10.209 1.00 0.00 C ATOM 595 O LEU A 41 84.449 0.576 10.430 1.00 0.00 O ATOM 596 CB LEU A 41 83.307 -2.323 9.404 1.00 0.00 C ATOM 597 CG LEU A 41 84.662 -3.018 9.542 1.00 0.00 C ATOM 598 CD1 LEU A 41 85.787 -1.994 9.398 1.00 0.00 C ATOM 599 CD2 LEU A 41 84.757 -3.694 10.912 1.00 0.00 C ATOM 0 H LEU A 41 81.100 -2.076 10.274 1.00 0.00 H new ATOM 0 HA LEU A 41 83.755 -1.641 11.415 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.509 -3.064 9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 41 83.269 -1.759 8.472 1.00 0.00 H new ATOM 0 HG LEU A 41 84.759 -3.770 8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 41 86.750 -2.495 9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 41 85.724 -1.520 8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 41 85.691 -1.236 10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.724 -4.188 11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.654 -2.944 11.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.961 -4.432 11.010 1.00 0.00 H new ATOM 611 N PHE A 42 82.397 0.734 9.657 1.00 0.00 N ATOM 612 CA PHE A 42 82.595 2.154 9.286 1.00 0.00 C ATOM 613 C PHE A 42 82.326 3.024 10.512 1.00 0.00 C ATOM 614 O PHE A 42 82.796 4.141 10.614 1.00 0.00 O ATOM 615 CB PHE A 42 81.561 2.419 8.199 1.00 0.00 C ATOM 616 CG PHE A 42 82.041 1.850 6.885 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.364 0.493 6.789 1.00 0.00 C ATOM 618 CD2 PHE A 42 82.160 2.679 5.763 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.804 -0.038 5.572 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.602 2.148 4.545 1.00 0.00 C ATOM 621 CZ PHE A 42 82.923 0.790 4.450 1.00 0.00 C ATOM 0 H PHE A 42 81.473 0.355 9.448 1.00 0.00 H new ATOM 0 HA PHE A 42 83.605 2.374 8.939 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.607 1.968 8.474 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.390 3.491 8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 42 82.274 -0.146 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.911 3.727 5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 42 83.052 -1.087 5.498 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.695 2.787 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 42 83.263 0.380 3.510 1.00 0.00 H new ATOM 631 N ALA A 43 81.577 2.510 11.450 1.00 0.00 N ATOM 632 CA ALA A 43 81.280 3.296 12.680 1.00 0.00 C ATOM 633 C ALA A 43 82.516 3.319 13.580 1.00 0.00 C ATOM 634 O ALA A 43 82.774 4.279 14.279 1.00 0.00 O ATOM 635 CB ALA A 43 80.131 2.554 13.361 1.00 0.00 C ATOM 0 H ALA A 43 81.159 1.580 11.417 1.00 0.00 H new ATOM 0 HA ALA A 43 81.015 4.331 12.464 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.855 3.074 14.278 1.00 0.00 H new ATOM 0 HB2 ALA A 43 79.272 2.519 12.691 1.00 0.00 H new ATOM 0 HB3 ALA A 43 80.445 1.538 13.601 1.00 0.00 H new ATOM 641 N LYS A 44 83.286 2.266 13.558 1.00 0.00 N ATOM 642 CA LYS A 44 84.514 2.219 14.401 1.00 0.00 C ATOM 643 C LYS A 44 85.719 2.690 13.585 1.00 0.00 C ATOM 644 O LYS A 44 86.780 2.949 14.117 1.00 0.00 O ATOM 645 CB LYS A 44 84.670 0.750 14.794 1.00 0.00 C ATOM 646 CG LYS A 44 84.316 0.576 16.272 1.00 0.00 C ATOM 647 CD LYS A 44 82.894 1.084 16.520 1.00 0.00 C ATOM 648 CE LYS A 44 82.161 0.117 17.452 1.00 0.00 C ATOM 649 NZ LYS A 44 80.763 0.074 16.940 1.00 0.00 N ATOM 0 H LYS A 44 83.117 1.435 12.992 1.00 0.00 H new ATOM 0 HA LYS A 44 84.446 2.865 15.276 1.00 0.00 H new ATOM 0 HB2 LYS A 44 84.021 0.127 14.178 1.00 0.00 H new ATOM 0 HB3 LYS A 44 85.693 0.421 14.613 1.00 0.00 H new ATOM 0 HG2 LYS A 44 84.393 -0.474 16.554 1.00 0.00 H new ATOM 0 HG3 LYS A 44 85.023 1.125 16.893 1.00 0.00 H new ATOM 0 HD2 LYS A 44 82.924 2.080 16.963 1.00 0.00 H new ATOM 0 HD3 LYS A 44 82.358 1.172 15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 44 82.619 -0.872 17.434 1.00 0.00 H new ATOM 0 HE3 LYS A 44 82.193 0.464 18.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 80.257 -0.722 17.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 80.279 0.964 17.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 80.775 -0.050 15.908 1.00 0.00 H new ATOM 663 N ASN A 45 85.562 2.803 12.293 1.00 0.00 N ATOM 664 CA ASN A 45 86.692 3.255 11.440 1.00 0.00 C ATOM 665 C ASN A 45 86.640 4.773 11.259 1.00 0.00 C ATOM 666 O ASN A 45 87.566 5.374 10.753 1.00 0.00 O ATOM 667 CB ASN A 45 86.474 2.546 10.106 1.00 0.00 C ATOM 668 CG ASN A 45 87.209 1.206 10.113 1.00 0.00 C ATOM 669 OD1 ASN A 45 86.982 0.358 11.078 1.00 0.00 O flip ATOM 670 ND2 ASN A 45 87.998 0.927 9.232 1.00 0.00 N flip ATOM 0 H ASN A 45 84.696 2.600 11.793 1.00 0.00 H new ATOM 0 HA ASN A 45 87.664 3.023 11.874 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.409 2.387 9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.838 3.168 9.288 1.00 0.00 H new ATOM 0 HD21 ASN A 45 88.175 1.590 8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 45 88.483 0.030 9.247 1.00 0.00 H new ATOM 677 N ASP A 46 85.546 5.385 11.656 1.00 0.00 N ATOM 678 CA ASP A 46 85.378 6.868 11.517 1.00 0.00 C ATOM 679 C ASP A 46 84.858 7.186 10.124 1.00 0.00 C ATOM 680 O ASP A 46 85.135 8.225 9.556 1.00 0.00 O ATOM 681 CB ASP A 46 86.754 7.502 11.753 1.00 0.00 C ATOM 682 CG ASP A 46 86.579 8.945 12.226 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.071 9.131 13.321 1.00 0.00 O ATOM 684 OD2 ASP A 46 86.956 9.840 11.488 1.00 0.00 O ATOM 0 H ASP A 46 84.749 4.909 12.078 1.00 0.00 H new ATOM 0 HA ASP A 46 84.660 7.262 12.237 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.307 6.929 12.497 1.00 0.00 H new ATOM 0 HB3 ASP A 46 87.339 7.478 10.834 1.00 0.00 H new ATOM 689 N LEU A 47 84.093 6.289 9.578 1.00 0.00 N ATOM 690 CA LEU A 47 83.523 6.506 8.226 1.00 0.00 C ATOM 691 C LEU A 47 82.207 7.283 8.360 1.00 0.00 C ATOM 692 O LEU A 47 82.143 8.288 9.040 1.00 0.00 O ATOM 693 CB LEU A 47 83.326 5.086 7.670 1.00 0.00 C ATOM 694 CG LEU A 47 84.662 4.555 7.137 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.982 5.231 5.804 1.00 0.00 C ATOM 696 CD2 LEU A 47 85.781 4.855 8.137 1.00 0.00 C ATOM 0 H LEU A 47 83.836 5.405 10.016 1.00 0.00 H new ATOM 0 HA LEU A 47 84.152 7.095 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 47 82.947 4.428 8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.583 5.096 6.873 1.00 0.00 H new ATOM 0 HG LEU A 47 84.586 3.477 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.932 4.854 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 47 84.191 5.012 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 47 85.051 6.309 5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 47 86.726 4.474 7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 47 85.857 5.932 8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 47 85.558 4.372 9.089 1.00 0.00 H new ATOM 708 N ALA A 48 81.164 6.839 7.730 1.00 0.00 N ATOM 709 CA ALA A 48 79.861 7.558 7.829 1.00 0.00 C ATOM 710 C ALA A 48 78.892 7.011 6.787 1.00 0.00 C ATOM 711 O ALA A 48 78.369 7.731 5.960 1.00 0.00 O ATOM 712 CB ALA A 48 80.178 9.029 7.551 1.00 0.00 C ATOM 0 H ALA A 48 81.152 6.003 7.145 1.00 0.00 H new ATOM 0 HA ALA A 48 79.394 7.432 8.806 1.00 0.00 H new ATOM 0 HB1 ALA A 48 79.261 9.616 7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.889 9.394 8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 48 80.610 9.126 6.555 1.00 0.00 H new ATOM 718 N VAL A 49 78.661 5.734 6.825 1.00 0.00 N ATOM 719 CA VAL A 49 77.744 5.105 5.855 1.00 0.00 C ATOM 720 C VAL A 49 76.362 5.741 5.942 1.00 0.00 C ATOM 721 O VAL A 49 75.716 5.742 6.971 1.00 0.00 O ATOM 722 CB VAL A 49 77.704 3.638 6.268 1.00 0.00 C ATOM 723 CG1 VAL A 49 79.036 2.971 5.920 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.466 3.539 7.779 1.00 0.00 C ATOM 0 H VAL A 49 79.078 5.092 7.500 1.00 0.00 H new ATOM 0 HA VAL A 49 78.071 5.229 4.823 1.00 0.00 H new ATOM 0 HB VAL A 49 76.896 3.135 5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 49 79.006 1.922 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.208 3.040 4.846 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.844 3.475 6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.437 2.490 8.075 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.274 4.043 8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.517 4.013 8.030 1.00 0.00 H new ATOM 734 N VAL A 50 75.925 6.292 4.857 1.00 0.00 N ATOM 735 CA VAL A 50 74.591 6.963 4.820 1.00 0.00 C ATOM 736 C VAL A 50 73.504 5.968 4.416 1.00 0.00 C ATOM 737 O VAL A 50 72.456 5.902 5.026 1.00 0.00 O ATOM 738 CB VAL A 50 74.715 8.065 3.760 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.805 9.238 4.123 1.00 0.00 C ATOM 740 CG2 VAL A 50 76.159 8.561 3.694 1.00 0.00 C ATOM 0 H VAL A 50 76.437 6.311 3.975 1.00 0.00 H new ATOM 0 HA VAL A 50 74.316 7.364 5.796 1.00 0.00 H new ATOM 0 HB VAL A 50 74.422 7.657 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 50 73.897 10.018 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.771 8.896 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.097 9.638 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.241 9.343 2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.451 8.961 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.817 7.733 3.430 1.00 0.00 H new ATOM 750 N ASP A 51 73.734 5.196 3.387 1.00 0.00 N ATOM 751 CA ASP A 51 72.686 4.220 2.960 1.00 0.00 C ATOM 752 C ASP A 51 73.315 2.961 2.360 1.00 0.00 C ATOM 753 O ASP A 51 73.998 3.010 1.358 1.00 0.00 O ATOM 754 CB ASP A 51 71.863 4.956 1.900 1.00 0.00 C ATOM 755 CG ASP A 51 71.598 6.393 2.358 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.641 6.595 3.087 1.00 0.00 O ATOM 757 OD2 ASP A 51 72.357 7.266 1.970 1.00 0.00 O ATOM 0 H ASP A 51 74.589 5.197 2.830 1.00 0.00 H new ATOM 0 HA ASP A 51 72.079 3.892 3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 51 72.396 4.960 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 51 70.919 4.437 1.734 1.00 0.00 H new ATOM 762 N VAL A 52 73.073 1.829 2.960 1.00 0.00 N ATOM 763 CA VAL A 52 73.634 0.562 2.428 1.00 0.00 C ATOM 764 C VAL A 52 72.553 -0.196 1.655 1.00 0.00 C ATOM 765 O VAL A 52 71.395 0.171 1.672 1.00 0.00 O ATOM 766 CB VAL A 52 74.062 -0.224 3.665 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.263 0.462 4.318 1.00 0.00 C ATOM 768 CG2 VAL A 52 72.903 -0.284 4.664 1.00 0.00 C ATOM 0 H VAL A 52 72.506 1.730 3.802 1.00 0.00 H new ATOM 0 HA VAL A 52 74.466 0.724 1.742 1.00 0.00 H new ATOM 0 HB VAL A 52 74.338 -1.236 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.567 -0.100 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 52 76.090 0.500 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.989 1.476 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 52 73.211 -0.846 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 52 72.623 0.728 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 52 72.048 -0.777 4.201 1.00 0.00 H new ATOM 778 N ARG A 53 72.918 -1.248 0.979 1.00 0.00 N ATOM 779 CA ARG A 53 71.903 -2.026 0.208 1.00 0.00 C ATOM 780 C ARG A 53 72.481 -3.374 -0.227 1.00 0.00 C ATOM 781 O ARG A 53 73.675 -3.591 -0.193 1.00 0.00 O ATOM 782 CB ARG A 53 71.581 -1.164 -1.012 1.00 0.00 C ATOM 783 CG ARG A 53 70.195 -0.535 -0.845 1.00 0.00 C ATOM 784 CD ARG A 53 70.151 0.805 -1.582 1.00 0.00 C ATOM 785 NE ARG A 53 69.842 1.814 -0.532 1.00 0.00 N ATOM 786 CZ ARG A 53 69.349 2.975 -0.866 1.00 0.00 C ATOM 787 NH1 ARG A 53 69.562 3.454 -2.062 1.00 0.00 N ATOM 788 NH2 ARG A 53 68.642 3.656 -0.007 1.00 0.00 N ATOM 0 H ARG A 53 73.872 -1.604 0.925 1.00 0.00 H new ATOM 0 HA ARG A 53 71.015 -2.240 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.334 -0.384 -1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 53 71.609 -1.771 -1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 53 69.430 -1.204 -1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.976 -0.388 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 53 71.103 1.020 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.389 0.801 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 53 70.016 1.598 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 53 70.113 2.921 -2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 53 69.177 4.361 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 53 68.474 3.281 0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 53 68.257 4.564 -0.269 1.00 0.00 H new ATOM 802 N THR A 54 71.636 -4.281 -0.630 1.00 0.00 N ATOM 803 CA THR A 54 72.116 -5.616 -1.063 1.00 0.00 C ATOM 804 C THR A 54 72.367 -5.633 -2.573 1.00 0.00 C ATOM 805 O THR A 54 71.891 -4.786 -3.303 1.00 0.00 O ATOM 806 CB THR A 54 70.969 -6.553 -0.702 1.00 0.00 C ATOM 807 OG1 THR A 54 69.885 -6.339 -1.595 1.00 0.00 O ATOM 808 CG2 THR A 54 70.513 -6.278 0.732 1.00 0.00 C ATOM 0 H THR A 54 70.625 -4.150 -0.677 1.00 0.00 H new ATOM 0 HA THR A 54 73.057 -5.899 -0.591 1.00 0.00 H new ATOM 0 HB THR A 54 71.307 -7.586 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.148 -6.942 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.693 -6.949 0.988 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.345 -6.444 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 54 70.176 -5.245 0.815 1.00 0.00 H new ATOM 816 N GLY A 55 73.112 -6.595 -3.046 1.00 0.00 N ATOM 817 CA GLY A 55 73.395 -6.675 -4.506 1.00 0.00 C ATOM 818 C GLY A 55 72.817 -7.976 -5.066 1.00 0.00 C ATOM 819 O GLY A 55 73.162 -9.057 -4.630 1.00 0.00 O ATOM 0 H GLY A 55 73.538 -7.331 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.957 -5.819 -5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 55 74.470 -6.637 -4.682 1.00 0.00 H new ATOM 823 N THR A 56 71.939 -7.874 -6.028 1.00 0.00 N ATOM 824 CA THR A 56 71.323 -9.098 -6.628 1.00 0.00 C ATOM 825 C THR A 56 70.339 -9.730 -5.641 1.00 0.00 C ATOM 826 O THR A 56 69.179 -9.926 -5.946 1.00 0.00 O ATOM 827 CB THR A 56 72.489 -10.050 -6.907 1.00 0.00 C ATOM 828 OG1 THR A 56 73.612 -9.304 -7.352 1.00 0.00 O ATOM 829 CG2 THR A 56 72.080 -11.054 -7.986 1.00 0.00 C ATOM 0 H THR A 56 71.619 -6.992 -6.427 1.00 0.00 H new ATOM 0 HA THR A 56 70.765 -8.870 -7.536 1.00 0.00 H new ATOM 0 HB THR A 56 72.749 -10.586 -5.994 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.429 -9.826 -7.210 1.00 0.00 H new ATOM 0 HG21 THR A 56 72.910 -11.732 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.218 -11.626 -7.643 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.820 -10.520 -8.900 1.00 0.00 H new ATOM 837 N ASN A 57 70.792 -10.051 -4.460 1.00 0.00 N ATOM 838 CA ASN A 57 69.882 -10.670 -3.456 1.00 0.00 C ATOM 839 C ASN A 57 70.675 -11.094 -2.218 1.00 0.00 C ATOM 840 O ASN A 57 70.196 -11.017 -1.104 1.00 0.00 O ATOM 841 CB ASN A 57 69.288 -11.893 -4.155 1.00 0.00 C ATOM 842 CG ASN A 57 67.762 -11.842 -4.064 1.00 0.00 C ATOM 843 OD1 ASN A 57 67.157 -12.628 -3.362 1.00 0.00 O ATOM 844 ND2 ASN A 57 67.109 -10.944 -4.750 1.00 0.00 N ATOM 0 H ASN A 57 71.753 -9.911 -4.147 1.00 0.00 H new ATOM 0 HA ASN A 57 69.109 -9.979 -3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 57 69.600 -11.916 -5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 57 69.660 -12.807 -3.691 1.00 0.00 H new ATOM 0 HD21 ASN A 57 66.091 -10.902 -4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 57 67.616 -10.284 -5.339 1.00 0.00 H new ATOM 851 N ARG A 58 71.885 -11.546 -2.404 1.00 0.00 N ATOM 852 CA ARG A 58 72.705 -11.977 -1.236 1.00 0.00 C ATOM 853 C ARG A 58 74.138 -12.290 -1.672 1.00 0.00 C ATOM 854 O ARG A 58 74.829 -13.068 -1.046 1.00 0.00 O ATOM 855 CB ARG A 58 72.018 -13.240 -0.725 1.00 0.00 C ATOM 856 CG ARG A 58 72.537 -13.577 0.674 1.00 0.00 C ATOM 857 CD ARG A 58 72.244 -15.046 0.988 1.00 0.00 C ATOM 858 NE ARG A 58 72.782 -15.804 -0.176 1.00 0.00 N ATOM 859 CZ ARG A 58 72.284 -16.971 -0.480 1.00 0.00 C ATOM 860 NH1 ARG A 58 71.058 -17.063 -0.918 1.00 0.00 N ATOM 861 NH2 ARG A 58 73.011 -18.046 -0.345 1.00 0.00 N ATOM 0 H ARG A 58 72.341 -11.635 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 58 72.771 -11.203 -0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 58 70.938 -13.093 -0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 58 72.209 -14.070 -1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 58 73.609 -13.389 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 58 72.061 -12.934 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 58 72.725 -15.355 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 58 71.175 -15.218 1.111 1.00 0.00 H new ATOM 0 HE ARG A 58 73.539 -15.411 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 58 70.489 -16.223 -1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 58 70.668 -17.975 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 58 73.969 -17.974 -0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 58 72.622 -18.958 -0.583 1.00 0.00 H new ATOM 875 N LYS A 59 74.590 -11.688 -2.735 1.00 0.00 N ATOM 876 CA LYS A 59 75.979 -11.954 -3.198 1.00 0.00 C ATOM 877 C LYS A 59 76.786 -10.657 -3.183 1.00 0.00 C ATOM 878 O LYS A 59 77.972 -10.652 -2.914 1.00 0.00 O ATOM 879 CB LYS A 59 75.831 -12.483 -4.625 1.00 0.00 C ATOM 880 CG LYS A 59 75.095 -13.823 -4.599 1.00 0.00 C ATOM 881 CD LYS A 59 75.383 -14.590 -5.891 1.00 0.00 C ATOM 882 CE LYS A 59 74.487 -15.828 -5.962 1.00 0.00 C ATOM 883 NZ LYS A 59 73.233 -15.357 -6.613 1.00 0.00 N ATOM 0 H LYS A 59 74.060 -11.026 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 59 76.503 -12.665 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.281 -11.766 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.813 -12.604 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.415 -14.409 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.023 -13.659 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 59 75.204 -13.949 -6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 59 76.432 -14.885 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 59 74.957 -16.623 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 59 74.289 -16.230 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 72.566 -16.151 -6.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 72.804 -14.605 -6.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 73.451 -14.986 -7.560 1.00 0.00 H new ATOM 897 N PHE A 60 76.149 -9.553 -3.462 1.00 0.00 N ATOM 898 CA PHE A 60 76.879 -8.249 -3.452 1.00 0.00 C ATOM 899 C PHE A 60 76.083 -7.229 -2.637 1.00 0.00 C ATOM 900 O PHE A 60 75.174 -7.579 -1.909 1.00 0.00 O ATOM 901 CB PHE A 60 76.985 -7.798 -4.919 1.00 0.00 C ATOM 902 CG PHE A 60 77.046 -8.993 -5.844 1.00 0.00 C ATOM 903 CD1 PHE A 60 77.991 -10.003 -5.627 1.00 0.00 C ATOM 904 CD2 PHE A 60 76.157 -9.085 -6.920 1.00 0.00 C ATOM 905 CE1 PHE A 60 78.043 -11.106 -6.487 1.00 0.00 C ATOM 906 CE2 PHE A 60 76.209 -10.188 -7.780 1.00 0.00 C ATOM 907 CZ PHE A 60 77.152 -11.199 -7.563 1.00 0.00 C ATOM 0 H PHE A 60 75.158 -9.495 -3.696 1.00 0.00 H new ATOM 0 HA PHE A 60 77.868 -8.341 -3.003 1.00 0.00 H new ATOM 0 HB2 PHE A 60 76.127 -7.177 -5.176 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.875 -7.183 -5.052 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.679 -9.931 -4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 60 75.430 -8.304 -7.087 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.771 -11.886 -6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.522 -10.259 -8.610 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.192 -12.051 -8.226 1.00 0.00 H new ATOM 917 N GLY A 61 76.409 -5.971 -2.745 1.00 0.00 N ATOM 918 CA GLY A 61 75.658 -4.947 -1.967 1.00 0.00 C ATOM 919 C GLY A 61 76.060 -3.542 -2.416 1.00 0.00 C ATOM 920 O GLY A 61 77.087 -3.342 -3.033 1.00 0.00 O ATOM 0 H GLY A 61 77.159 -5.609 -3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.586 -5.088 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.860 -5.068 -0.903 1.00 0.00 H new ATOM 924 N TYR A 62 75.253 -2.565 -2.103 1.00 0.00 N ATOM 925 CA TYR A 62 75.578 -1.162 -2.495 1.00 0.00 C ATOM 926 C TYR A 62 75.609 -0.281 -1.255 1.00 0.00 C ATOM 927 O TYR A 62 75.004 -0.587 -0.248 1.00 0.00 O ATOM 928 CB TYR A 62 74.456 -0.736 -3.442 1.00 0.00 C ATOM 929 CG TYR A 62 74.763 0.630 -4.008 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.694 1.761 -3.185 1.00 0.00 C ATOM 931 CD2 TYR A 62 75.117 0.765 -5.356 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.978 3.027 -3.710 1.00 0.00 C ATOM 933 CE2 TYR A 62 75.402 2.032 -5.881 1.00 0.00 C ATOM 934 CZ TYR A 62 75.333 3.162 -5.058 1.00 0.00 C ATOM 935 OH TYR A 62 75.614 4.410 -5.575 1.00 0.00 O ATOM 0 H TYR A 62 74.378 -2.678 -1.590 1.00 0.00 H new ATOM 0 HA TYR A 62 76.553 -1.076 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 62 74.353 -1.461 -4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.505 -0.715 -2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 62 74.422 1.656 -2.145 1.00 0.00 H new ATOM 0 HD2 TYR A 62 75.170 -0.107 -5.991 1.00 0.00 H new ATOM 0 HE1 TYR A 62 74.923 3.899 -3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 62 75.675 2.137 -6.921 1.00 0.00 H new ATOM 0 HH TYR A 62 75.844 4.327 -6.524 1.00 0.00 H new ATOM 945 N VAL A 63 76.335 0.798 -1.307 1.00 0.00 N ATOM 946 CA VAL A 63 76.423 1.670 -0.110 1.00 0.00 C ATOM 947 C VAL A 63 76.656 3.129 -0.510 1.00 0.00 C ATOM 948 O VAL A 63 77.327 3.422 -1.479 1.00 0.00 O ATOM 949 CB VAL A 63 77.627 1.130 0.663 1.00 0.00 C ATOM 950 CG1 VAL A 63 77.581 1.655 2.089 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.591 -0.400 0.694 1.00 0.00 C ATOM 0 H VAL A 63 76.866 1.111 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 63 75.505 1.657 0.477 1.00 0.00 H new ATOM 0 HB VAL A 63 78.542 1.458 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 63 78.437 1.273 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 63 77.613 2.744 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 63 76.660 1.324 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.453 -0.773 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.675 -0.733 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 63 77.619 -0.785 -0.325 1.00 0.00 H new ATOM 961 N ASP A 64 76.113 4.043 0.245 1.00 0.00 N ATOM 962 CA ASP A 64 76.300 5.484 -0.063 1.00 0.00 C ATOM 963 C ASP A 64 77.024 6.163 1.096 1.00 0.00 C ATOM 964 O ASP A 64 76.696 5.955 2.251 1.00 0.00 O ATOM 965 CB ASP A 64 74.892 6.044 -0.200 1.00 0.00 C ATOM 966 CG ASP A 64 74.060 5.133 -1.106 1.00 0.00 C ATOM 967 OD1 ASP A 64 73.899 3.974 -0.761 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.598 5.610 -2.129 1.00 0.00 O ATOM 0 H ASP A 64 75.543 3.849 1.069 1.00 0.00 H new ATOM 0 HA ASP A 64 76.892 5.645 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.424 6.122 0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 64 74.930 7.051 -0.616 1.00 0.00 H new ATOM 973 N PHE A 65 77.999 6.975 0.796 1.00 0.00 N ATOM 974 CA PHE A 65 78.752 7.676 1.876 1.00 0.00 C ATOM 975 C PHE A 65 78.285 9.127 1.981 1.00 0.00 C ATOM 976 O PHE A 65 77.504 9.598 1.180 1.00 0.00 O ATOM 977 CB PHE A 65 80.219 7.597 1.462 1.00 0.00 C ATOM 978 CG PHE A 65 80.660 6.155 1.502 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.604 5.444 2.704 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.117 5.528 0.336 1.00 0.00 C ATOM 981 CE1 PHE A 65 81.004 4.105 2.745 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.518 4.188 0.377 1.00 0.00 C ATOM 983 CZ PHE A 65 81.461 3.477 1.582 1.00 0.00 C ATOM 0 H PHE A 65 78.308 7.185 -0.153 1.00 0.00 H new ATOM 0 HA PHE A 65 78.593 7.224 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.350 8.004 0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.833 8.198 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 65 80.251 5.929 3.602 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.160 6.078 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 65 80.960 3.556 3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 65 81.871 3.702 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.770 2.443 1.613 1.00 0.00 H new ATOM 993 N GLU A 66 78.731 9.829 2.984 1.00 0.00 N ATOM 994 CA GLU A 66 78.277 11.234 3.156 1.00 0.00 C ATOM 995 C GLU A 66 79.441 12.219 3.003 1.00 0.00 C ATOM 996 O GLU A 66 79.340 13.371 3.376 1.00 0.00 O ATOM 997 CB GLU A 66 77.693 11.277 4.573 1.00 0.00 C ATOM 998 CG GLU A 66 78.806 11.506 5.599 1.00 0.00 C ATOM 999 CD GLU A 66 78.871 12.991 5.960 1.00 0.00 C ATOM 1000 OE1 GLU A 66 78.123 13.756 5.373 1.00 0.00 O ATOM 1001 OE2 GLU A 66 79.669 13.338 6.815 1.00 0.00 O ATOM 0 H GLU A 66 79.387 9.492 3.689 1.00 0.00 H new ATOM 0 HA GLU A 66 77.548 11.527 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 66 76.953 12.074 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.176 10.342 4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 66 78.619 10.912 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 66 79.763 11.178 5.193 1.00 0.00 H new ATOM 1008 N SER A 67 80.538 11.785 2.455 1.00 0.00 N ATOM 1009 CA SER A 67 81.689 12.723 2.286 1.00 0.00 C ATOM 1010 C SER A 67 82.754 12.166 1.359 1.00 0.00 C ATOM 1011 O SER A 67 82.736 11.018 0.954 1.00 0.00 O ATOM 1012 CB SER A 67 82.292 12.897 3.671 1.00 0.00 C ATOM 1013 OG SER A 67 82.543 11.618 4.239 1.00 0.00 O ATOM 0 H SER A 67 80.692 10.834 2.119 1.00 0.00 H new ATOM 0 HA SER A 67 81.341 13.658 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.219 13.467 3.608 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.612 13.463 4.308 1.00 0.00 H new ATOM 0 HG SER A 67 81.812 11.381 4.848 1.00 0.00 H new ATOM 1019 N ALA A 68 83.715 12.987 1.076 1.00 0.00 N ATOM 1020 CA ALA A 68 84.853 12.566 0.228 1.00 0.00 C ATOM 1021 C ALA A 68 85.768 11.725 1.092 1.00 0.00 C ATOM 1022 O ALA A 68 86.508 10.880 0.628 1.00 0.00 O ATOM 1023 CB ALA A 68 85.547 13.868 -0.144 1.00 0.00 C ATOM 0 H ALA A 68 83.761 13.952 1.403 1.00 0.00 H new ATOM 0 HA ALA A 68 84.567 11.993 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.409 13.653 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.851 14.510 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.879 14.375 0.762 1.00 0.00 H new ATOM 1029 N GLU A 69 85.702 11.973 2.364 1.00 0.00 N ATOM 1030 CA GLU A 69 86.535 11.228 3.325 1.00 0.00 C ATOM 1031 C GLU A 69 85.962 9.825 3.519 1.00 0.00 C ATOM 1032 O GLU A 69 86.674 8.884 3.811 1.00 0.00 O ATOM 1033 CB GLU A 69 86.435 12.057 4.598 1.00 0.00 C ATOM 1034 CG GLU A 69 87.823 12.216 5.212 1.00 0.00 C ATOM 1035 CD GLU A 69 87.851 11.566 6.596 1.00 0.00 C ATOM 1036 OE1 GLU A 69 87.076 10.649 6.813 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.648 11.994 7.415 1.00 0.00 O ATOM 0 H GLU A 69 85.092 12.676 2.782 1.00 0.00 H new ATOM 0 HA GLU A 69 87.568 11.093 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 69 86.010 13.036 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.765 11.573 5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.571 11.755 4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 69 88.078 13.273 5.291 1.00 0.00 H new ATOM 1044 N ASP A 70 84.680 9.669 3.318 1.00 0.00 N ATOM 1045 CA ASP A 70 84.073 8.323 3.452 1.00 0.00 C ATOM 1046 C ASP A 70 84.304 7.582 2.148 1.00 0.00 C ATOM 1047 O ASP A 70 84.442 6.376 2.115 1.00 0.00 O ATOM 1048 CB ASP A 70 82.581 8.566 3.674 1.00 0.00 C ATOM 1049 CG ASP A 70 82.359 9.187 5.052 1.00 0.00 C ATOM 1050 OD1 ASP A 70 83.191 8.976 5.918 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.359 9.866 5.216 1.00 0.00 O ATOM 0 H ASP A 70 84.033 10.417 3.068 1.00 0.00 H new ATOM 0 HA ASP A 70 84.494 7.736 4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.191 9.227 2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.034 7.626 3.596 1.00 0.00 H new ATOM 1056 N LEU A 71 84.358 8.311 1.068 1.00 0.00 N ATOM 1057 CA LEU A 71 84.592 7.669 -0.246 1.00 0.00 C ATOM 1058 C LEU A 71 86.052 7.220 -0.352 1.00 0.00 C ATOM 1059 O LEU A 71 86.357 6.189 -0.916 1.00 0.00 O ATOM 1060 CB LEU A 71 84.281 8.751 -1.283 1.00 0.00 C ATOM 1061 CG LEU A 71 84.803 8.313 -2.653 1.00 0.00 C ATOM 1062 CD1 LEU A 71 83.629 8.139 -3.617 1.00 0.00 C ATOM 1063 CD2 LEU A 71 85.754 9.381 -3.199 1.00 0.00 C ATOM 0 H LEU A 71 84.249 9.325 1.043 1.00 0.00 H new ATOM 0 HA LEU A 71 83.973 6.784 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 71 83.206 8.925 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 71 84.744 9.693 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 71 85.334 7.366 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 71 84.002 7.827 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 71 82.949 7.380 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 71 83.098 9.085 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 71 86.127 9.071 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 71 85.221 10.327 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 71 86.592 9.507 -2.513 1.00 0.00 H new ATOM 1075 N GLU A 72 86.956 7.991 0.194 1.00 0.00 N ATOM 1076 CA GLU A 72 88.397 7.613 0.131 1.00 0.00 C ATOM 1077 C GLU A 72 88.675 6.451 1.087 1.00 0.00 C ATOM 1078 O GLU A 72 89.418 5.535 0.776 1.00 0.00 O ATOM 1079 CB GLU A 72 89.155 8.865 0.573 1.00 0.00 C ATOM 1080 CG GLU A 72 90.619 8.756 0.144 1.00 0.00 C ATOM 1081 CD GLU A 72 91.459 9.761 0.935 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.333 9.783 2.148 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.212 10.492 0.313 1.00 0.00 O ATOM 0 H GLU A 72 86.758 8.865 0.680 1.00 0.00 H new ATOM 0 HA GLU A 72 88.698 7.287 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.701 9.752 0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.090 8.979 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 72 90.985 7.744 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 72 90.711 8.950 -0.925 1.00 0.00 H new ATOM 1090 N LYS A 73 88.062 6.459 2.239 1.00 0.00 N ATOM 1091 CA LYS A 73 88.276 5.345 3.186 1.00 0.00 C ATOM 1092 C LYS A 73 87.435 4.180 2.710 1.00 0.00 C ATOM 1093 O LYS A 73 87.773 3.029 2.892 1.00 0.00 O ATOM 1094 CB LYS A 73 87.788 5.859 4.540 1.00 0.00 C ATOM 1095 CG LYS A 73 88.992 6.171 5.432 1.00 0.00 C ATOM 1096 CD LYS A 73 89.504 7.580 5.126 1.00 0.00 C ATOM 1097 CE LYS A 73 89.080 8.531 6.248 1.00 0.00 C ATOM 1098 NZ LYS A 73 90.292 9.347 6.539 1.00 0.00 N ATOM 0 H LYS A 73 87.426 7.189 2.559 1.00 0.00 H new ATOM 0 HA LYS A 73 89.314 5.019 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 73 87.181 6.754 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 73 87.153 5.113 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 73 88.709 6.096 6.482 1.00 0.00 H new ATOM 0 HG3 LYS A 73 89.783 5.440 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 73 90.590 7.572 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 73 89.105 7.925 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 73 88.246 9.160 5.938 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.754 7.980 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 90.035 10.141 7.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 91.004 8.755 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 90.684 9.716 5.649 1.00 0.00 H new ATOM 1112 N ALA A 74 86.342 4.483 2.068 1.00 0.00 N ATOM 1113 CA ALA A 74 85.478 3.405 1.549 1.00 0.00 C ATOM 1114 C ALA A 74 86.246 2.628 0.482 1.00 0.00 C ATOM 1115 O ALA A 74 86.075 1.437 0.317 1.00 0.00 O ATOM 1116 CB ALA A 74 84.264 4.106 0.946 1.00 0.00 C ATOM 0 H ALA A 74 86.016 5.432 1.884 1.00 0.00 H new ATOM 0 HA ALA A 74 85.174 2.697 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 74 83.578 3.362 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 74 83.757 4.684 1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 74 84.589 4.773 0.148 1.00 0.00 H new ATOM 1122 N LEU A 75 87.118 3.297 -0.225 1.00 0.00 N ATOM 1123 CA LEU A 75 87.927 2.603 -1.259 1.00 0.00 C ATOM 1124 C LEU A 75 88.962 1.743 -0.548 1.00 0.00 C ATOM 1125 O LEU A 75 89.160 0.588 -0.872 1.00 0.00 O ATOM 1126 CB LEU A 75 88.604 3.716 -2.061 1.00 0.00 C ATOM 1127 CG LEU A 75 89.657 3.108 -2.988 1.00 0.00 C ATOM 1128 CD1 LEU A 75 89.708 3.901 -4.295 1.00 0.00 C ATOM 1129 CD2 LEU A 75 91.026 3.160 -2.307 1.00 0.00 C ATOM 0 H LEU A 75 87.302 4.296 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 75 87.337 1.960 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.862 4.262 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.069 4.434 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 75 89.396 2.072 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 75 90.459 3.467 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.733 3.864 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 75 89.968 4.938 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 75 91.777 2.727 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 75 91.286 4.196 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 75 90.991 2.594 -1.376 1.00 0.00 H new ATOM 1141 N GLU A 76 89.607 2.293 0.445 1.00 0.00 N ATOM 1142 CA GLU A 76 90.607 1.501 1.203 1.00 0.00 C ATOM 1143 C GLU A 76 89.888 0.624 2.231 1.00 0.00 C ATOM 1144 O GLU A 76 90.503 -0.131 2.958 1.00 0.00 O ATOM 1145 CB GLU A 76 91.482 2.532 1.907 1.00 0.00 C ATOM 1146 CG GLU A 76 92.866 2.562 1.256 1.00 0.00 C ATOM 1147 CD GLU A 76 93.727 3.631 1.932 1.00 0.00 C ATOM 1148 OE1 GLU A 76 93.263 4.754 2.040 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.834 3.309 2.330 1.00 0.00 O ATOM 0 H GLU A 76 89.482 3.255 0.761 1.00 0.00 H new ATOM 0 HA GLU A 76 91.194 0.844 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.020 3.517 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 76 91.572 2.286 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 76 93.343 1.586 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 76 92.774 2.775 0.191 1.00 0.00 H new ATOM 1156 N LEU A 77 88.586 0.722 2.293 1.00 0.00 N ATOM 1157 CA LEU A 77 87.817 -0.099 3.269 1.00 0.00 C ATOM 1158 C LEU A 77 87.677 -1.535 2.760 1.00 0.00 C ATOM 1159 O LEU A 77 86.972 -2.339 3.335 1.00 0.00 O ATOM 1160 CB LEU A 77 86.444 0.571 3.352 1.00 0.00 C ATOM 1161 CG LEU A 77 86.166 0.997 4.795 1.00 0.00 C ATOM 1162 CD1 LEU A 77 86.379 -0.193 5.730 1.00 0.00 C ATOM 1163 CD2 LEU A 77 87.118 2.130 5.188 1.00 0.00 C ATOM 0 H LEU A 77 88.022 1.338 1.707 1.00 0.00 H new ATOM 0 HA LEU A 77 88.309 -0.152 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.412 1.439 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 77 85.671 -0.117 3.010 1.00 0.00 H new ATOM 0 HG LEU A 77 85.136 1.344 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 77 86.181 0.112 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 77 85.700 -0.999 5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 77 87.409 -0.541 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 77 86.919 2.432 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 77 88.149 1.785 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 77 86.965 2.980 4.524 1.00 0.00 H new ATOM 1175 N THR A 78 88.348 -1.870 1.688 1.00 0.00 N ATOM 1176 CA THR A 78 88.247 -3.258 1.158 1.00 0.00 C ATOM 1177 C THR A 78 88.949 -4.238 2.092 1.00 0.00 C ATOM 1178 O THR A 78 88.938 -5.435 1.883 1.00 0.00 O ATOM 1179 CB THR A 78 88.930 -3.221 -0.210 1.00 0.00 C ATOM 1180 OG1 THR A 78 88.262 -2.286 -1.045 1.00 0.00 O ATOM 1181 CG2 THR A 78 88.875 -4.610 -0.848 1.00 0.00 C ATOM 0 H THR A 78 88.958 -1.245 1.161 1.00 0.00 H new ATOM 0 HA THR A 78 87.212 -3.591 1.079 1.00 0.00 H new ATOM 0 HB THR A 78 89.971 -2.922 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 78 88.637 -1.392 -0.900 1.00 0.00 H new ATOM 0 HG21 THR A 78 89.362 -4.582 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 78 89.388 -5.326 -0.206 1.00 0.00 H new ATOM 0 HG23 THR A 78 87.835 -4.913 -0.970 1.00 0.00 H new ATOM 1189 N GLY A 79 89.545 -3.737 3.128 1.00 0.00 N ATOM 1190 CA GLY A 79 90.239 -4.629 4.097 1.00 0.00 C ATOM 1191 C GLY A 79 89.211 -5.195 5.079 1.00 0.00 C ATOM 1192 O GLY A 79 89.450 -6.184 5.743 1.00 0.00 O ATOM 0 H GLY A 79 89.584 -2.742 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.741 -5.440 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.008 -4.074 4.635 1.00 0.00 H new ATOM 1196 N LEU A 80 88.067 -4.572 5.174 1.00 0.00 N ATOM 1197 CA LEU A 80 87.018 -5.060 6.106 1.00 0.00 C ATOM 1198 C LEU A 80 86.398 -6.353 5.593 1.00 0.00 C ATOM 1199 O LEU A 80 85.977 -6.450 4.459 1.00 0.00 O ATOM 1200 CB LEU A 80 85.991 -3.925 6.152 1.00 0.00 C ATOM 1201 CG LEU A 80 85.018 -4.035 4.977 1.00 0.00 C ATOM 1202 CD1 LEU A 80 83.833 -4.912 5.382 1.00 0.00 C ATOM 1203 CD2 LEU A 80 84.511 -2.642 4.601 1.00 0.00 C ATOM 0 H LEU A 80 87.815 -3.740 4.640 1.00 0.00 H new ATOM 0 HA LEU A 80 87.412 -5.294 7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.441 -3.962 7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 80 86.502 -2.963 6.120 1.00 0.00 H new ATOM 0 HG LEU A 80 85.529 -4.479 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 80 83.138 -4.992 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 80 84.191 -5.905 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 80 83.324 -4.465 6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 80 83.818 -2.721 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 80 83.999 -2.198 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 80 85.354 -2.013 4.316 1.00 0.00 H new ATOM 1215 N LYS A 81 86.333 -7.345 6.428 1.00 0.00 N ATOM 1216 CA LYS A 81 85.730 -8.636 5.993 1.00 0.00 C ATOM 1217 C LYS A 81 84.310 -8.725 6.498 1.00 0.00 C ATOM 1218 O LYS A 81 84.030 -9.295 7.534 1.00 0.00 O ATOM 1219 CB LYS A 81 86.553 -9.762 6.598 1.00 0.00 C ATOM 1220 CG LYS A 81 87.930 -9.257 7.024 1.00 0.00 C ATOM 1221 CD LYS A 81 88.889 -10.439 7.179 1.00 0.00 C ATOM 1222 CE LYS A 81 90.152 -10.183 6.354 1.00 0.00 C ATOM 1223 NZ LYS A 81 91.230 -9.970 7.359 1.00 0.00 N ATOM 0 H LYS A 81 86.669 -7.322 7.391 1.00 0.00 H new ATOM 0 HA LYS A 81 85.724 -8.707 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 81 86.031 -10.178 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.664 -10.568 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 81 88.317 -8.558 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 81 87.853 -8.713 7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.149 -10.575 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 81 88.406 -11.359 6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 81 90.378 -11.029 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.034 -9.311 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 92.130 -9.788 6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 90.990 -9.154 7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.324 -10.819 7.952 1.00 0.00 H new ATOM 1237 N VAL A 82 83.417 -8.165 5.765 1.00 0.00 N ATOM 1238 CA VAL A 82 81.986 -8.206 6.182 1.00 0.00 C ATOM 1239 C VAL A 82 81.649 -9.618 6.669 1.00 0.00 C ATOM 1240 O VAL A 82 81.749 -10.581 5.935 1.00 0.00 O ATOM 1241 CB VAL A 82 81.177 -7.838 4.937 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.091 -9.041 3.994 1.00 0.00 C ATOM 1243 CG2 VAL A 82 79.767 -7.420 5.356 1.00 0.00 C ATOM 0 H VAL A 82 83.603 -7.675 4.890 1.00 0.00 H new ATOM 0 HA VAL A 82 81.764 -7.518 6.998 1.00 0.00 H new ATOM 0 HB VAL A 82 81.669 -7.014 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 82 80.513 -8.770 3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 82 82.095 -9.340 3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.603 -9.871 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 82 79.187 -7.157 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 82 79.282 -8.246 5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 82 79.825 -6.558 6.021 1.00 0.00 H new ATOM 1253 N PHE A 83 81.271 -9.753 7.906 1.00 0.00 N ATOM 1254 CA PHE A 83 80.954 -11.105 8.439 1.00 0.00 C ATOM 1255 C PHE A 83 82.041 -12.108 8.028 1.00 0.00 C ATOM 1256 O PHE A 83 81.808 -13.300 7.991 1.00 0.00 O ATOM 1257 CB PHE A 83 79.612 -11.478 7.812 1.00 0.00 C ATOM 1258 CG PHE A 83 78.507 -11.223 8.809 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.364 -9.954 9.384 1.00 0.00 C ATOM 1260 CD2 PHE A 83 77.630 -12.256 9.161 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.342 -9.718 10.311 1.00 0.00 C ATOM 1262 CE2 PHE A 83 76.608 -12.019 10.088 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.464 -10.750 10.663 1.00 0.00 C ATOM 0 H PHE A 83 81.168 -8.987 8.572 1.00 0.00 H new ATOM 0 HA PHE A 83 80.909 -11.117 9.528 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.444 -10.892 6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 83 79.615 -12.527 7.516 1.00 0.00 H new ATOM 0 HD1 PHE A 83 79.042 -9.158 9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 83 77.742 -13.235 8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.231 -8.740 10.755 1.00 0.00 H new ATOM 0 HE2 PHE A 83 75.930 -12.815 10.360 1.00 0.00 H new ATOM 0 HZ PHE A 83 75.675 -10.568 11.378 1.00 0.00 H new ATOM 1273 N GLY A 84 83.230 -11.643 7.727 1.00 0.00 N ATOM 1274 CA GLY A 84 84.315 -12.588 7.332 1.00 0.00 C ATOM 1275 C GLY A 84 84.453 -12.632 5.807 1.00 0.00 C ATOM 1276 O GLY A 84 85.119 -13.490 5.264 1.00 0.00 O ATOM 0 H GLY A 84 83.492 -10.657 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.259 -12.277 7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.094 -13.585 7.713 1.00 0.00 H new ATOM 1280 N ASN A 85 83.835 -11.718 5.108 1.00 0.00 N ATOM 1281 CA ASN A 85 83.948 -11.723 3.620 1.00 0.00 C ATOM 1282 C ASN A 85 84.416 -10.355 3.116 1.00 0.00 C ATOM 1283 O ASN A 85 83.621 -9.483 2.827 1.00 0.00 O ATOM 1284 CB ASN A 85 82.538 -12.030 3.109 1.00 0.00 C ATOM 1285 CG ASN A 85 82.241 -13.519 3.296 1.00 0.00 C ATOM 1286 OD1 ASN A 85 81.871 -13.946 4.371 1.00 0.00 O ATOM 1287 ND2 ASN A 85 82.387 -14.333 2.286 1.00 0.00 N ATOM 0 H ASN A 85 83.260 -10.972 5.500 1.00 0.00 H new ATOM 0 HA ASN A 85 84.675 -12.455 3.269 1.00 0.00 H new ATOM 0 HB2 ASN A 85 81.805 -11.431 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 85 82.455 -11.761 2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 85 82.190 -15.327 2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 85 82.698 -13.975 1.383 1.00 0.00 H new ATOM 1294 N GLU A 86 85.703 -10.161 3.009 1.00 0.00 N ATOM 1295 CA GLU A 86 86.225 -8.850 2.524 1.00 0.00 C ATOM 1296 C GLU A 86 85.368 -8.321 1.377 1.00 0.00 C ATOM 1297 O GLU A 86 85.434 -8.799 0.262 1.00 0.00 O ATOM 1298 CB GLU A 86 87.639 -9.142 2.042 1.00 0.00 C ATOM 1299 CG GLU A 86 88.475 -9.684 3.202 1.00 0.00 C ATOM 1300 CD GLU A 86 88.651 -11.195 3.043 1.00 0.00 C ATOM 1301 OE1 GLU A 86 87.741 -11.921 3.408 1.00 0.00 O ATOM 1302 OE2 GLU A 86 89.696 -11.601 2.558 1.00 0.00 O ATOM 0 H GLU A 86 86.416 -10.854 3.237 1.00 0.00 H new ATOM 0 HA GLU A 86 86.206 -8.090 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 86 87.614 -9.867 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.094 -8.234 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 86 89.449 -9.194 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 86 87.987 -9.462 4.151 1.00 0.00 H new ATOM 1309 N ILE A 87 84.561 -7.335 1.648 1.00 0.00 N ATOM 1310 CA ILE A 87 83.692 -6.768 0.580 1.00 0.00 C ATOM 1311 C ILE A 87 84.524 -5.980 -0.426 1.00 0.00 C ATOM 1312 O ILE A 87 85.505 -5.347 -0.089 1.00 0.00 O ATOM 1313 CB ILE A 87 82.720 -5.833 1.295 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.503 -4.865 2.183 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.758 -6.653 2.152 1.00 0.00 C ATOM 1316 CD1 ILE A 87 82.637 -3.641 2.490 1.00 0.00 C ATOM 0 H ILE A 87 84.465 -6.896 2.564 1.00 0.00 H new ATOM 0 HA ILE A 87 83.175 -7.553 0.028 1.00 0.00 H new ATOM 0 HB ILE A 87 82.151 -5.267 0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.794 -5.359 3.110 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.422 -4.558 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.065 -5.984 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.199 -7.339 1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.323 -7.222 2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.194 -2.950 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 87 82.368 -3.143 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 87 81.731 -3.957 3.007 1.00 0.00 H new ATOM 1328 N LYS A 88 84.120 -6.005 -1.659 1.00 0.00 N ATOM 1329 CA LYS A 88 84.854 -5.250 -2.710 1.00 0.00 C ATOM 1330 C LYS A 88 83.942 -4.162 -3.277 1.00 0.00 C ATOM 1331 O LYS A 88 82.738 -4.235 -3.164 1.00 0.00 O ATOM 1332 CB LYS A 88 85.193 -6.285 -3.784 1.00 0.00 C ATOM 1333 CG LYS A 88 85.865 -5.591 -4.970 1.00 0.00 C ATOM 1334 CD LYS A 88 86.890 -6.534 -5.602 1.00 0.00 C ATOM 1335 CE LYS A 88 86.235 -7.309 -6.747 1.00 0.00 C ATOM 1336 NZ LYS A 88 87.370 -7.862 -7.536 1.00 0.00 N ATOM 0 H LYS A 88 83.305 -6.521 -1.990 1.00 0.00 H new ATOM 0 HA LYS A 88 85.752 -4.762 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.855 -7.047 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 88 84.287 -6.793 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 88 85.116 -5.304 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 88 86.354 -4.675 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 88 87.742 -5.965 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 88 87.273 -7.227 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 88 85.593 -8.104 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 88 85.610 -6.658 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 87.000 -8.408 -8.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 87.960 -7.082 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 87.943 -8.483 -6.931 1.00 0.00 H new ATOM 1350 N LEU A 89 84.494 -3.151 -3.875 1.00 0.00 N ATOM 1351 CA LEU A 89 83.641 -2.071 -4.430 1.00 0.00 C ATOM 1352 C LEU A 89 83.840 -1.958 -5.944 1.00 0.00 C ATOM 1353 O LEU A 89 84.752 -2.528 -6.507 1.00 0.00 O ATOM 1354 CB LEU A 89 84.098 -0.787 -3.732 1.00 0.00 C ATOM 1355 CG LEU A 89 85.605 -0.826 -3.461 1.00 0.00 C ATOM 1356 CD1 LEU A 89 86.160 0.599 -3.451 1.00 0.00 C ATOM 1357 CD2 LEU A 89 85.862 -1.482 -2.103 1.00 0.00 C ATOM 0 H LEU A 89 85.498 -3.025 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 89 82.582 -2.266 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 89 83.857 0.076 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.558 -0.665 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 89 86.099 -1.402 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.232 0.570 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 89 85.978 1.067 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.666 1.176 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.934 -1.510 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.367 -0.906 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.468 -2.498 -2.109 1.00 0.00 H new ATOM 1369 N GLU A 90 82.987 -1.223 -6.604 1.00 0.00 N ATOM 1370 CA GLU A 90 83.118 -1.068 -8.080 1.00 0.00 C ATOM 1371 C GLU A 90 82.188 0.042 -8.579 1.00 0.00 C ATOM 1372 O GLU A 90 81.218 0.389 -7.934 1.00 0.00 O ATOM 1373 CB GLU A 90 82.699 -2.419 -8.660 1.00 0.00 C ATOM 1374 CG GLU A 90 81.322 -2.803 -8.116 1.00 0.00 C ATOM 1375 CD GLU A 90 81.346 -4.259 -7.647 1.00 0.00 C ATOM 1376 OE1 GLU A 90 82.255 -4.610 -6.913 1.00 0.00 O ATOM 1377 OE2 GLU A 90 80.453 -4.999 -8.029 1.00 0.00 O ATOM 0 H GLU A 90 82.204 -0.723 -6.184 1.00 0.00 H new ATOM 0 HA GLU A 90 84.130 -0.793 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 90 82.670 -2.366 -9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 90 83.431 -3.182 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 90 81.051 -2.148 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 90 80.564 -2.671 -8.889 1.00 0.00 H new