USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 537 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 18 THR OG1 : rot -67:sc= 0.188 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 28 HIS : no HD1:sc= -3.58 K(o=-3.6,f=-4.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -131:sc= -0.905 (180deg=-1.58) USER MOD Single : A 43 MET CE :methyl -176:sc= -2.47 (180deg=-2.52) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.269 F(o=-1.9,f=-0.27) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -1.01 F(o=-1.9!,f=-1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.591 K(o=-0.59,f=-2.5!) USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= -1.04 (180deg=-2.21!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.870 -16.978 15.930 1.00 0.00 N ATOM 177 CA VAL A 15 -0.774 -15.525 15.988 1.00 0.00 C ATOM 178 C VAL A 15 -0.120 -14.967 14.729 1.00 0.00 C ATOM 179 O VAL A 15 0.863 -15.506 14.220 1.00 0.00 O ATOM 180 CB VAL A 15 0.030 -15.064 17.218 1.00 0.00 C ATOM 181 CG1 VAL A 15 0.095 -13.545 17.275 1.00 0.00 C ATOM 182 CG2 VAL A 15 -0.580 -15.627 18.494 1.00 0.00 C ATOM 0 HA VAL A 15 -1.792 -15.143 16.065 1.00 0.00 H new ATOM 0 HB VAL A 15 1.047 -15.445 17.129 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.667 -13.238 18.151 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.579 -13.168 16.374 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.915 -13.140 17.341 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.000 -15.292 19.354 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.608 -15.277 18.591 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.570 -16.716 18.452 1.00 0.00 H new ATOM 192 N PRO A 16 -0.676 -13.861 14.214 1.00 0.00 N ATOM 193 CA PRO A 16 -0.163 -13.204 13.008 1.00 0.00 C ATOM 194 C PRO A 16 1.187 -12.534 13.243 1.00 0.00 C ATOM 195 O PRO A 16 1.802 -12.708 14.294 1.00 0.00 O ATOM 196 CB PRO A 16 -1.233 -12.157 12.692 1.00 0.00 C ATOM 197 CG PRO A 16 -1.885 -11.873 14.001 1.00 0.00 C ATOM 198 CD PRO A 16 -1.850 -13.166 14.769 1.00 0.00 C ATOM 0 HA PRO A 16 0.010 -13.914 12.199 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.791 -11.256 12.266 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.953 -12.534 11.965 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.356 -11.086 14.538 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.910 -11.530 13.860 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.746 -12.994 15.840 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.763 -13.743 14.626 1.00 0.00 H new ATOM 206 N VAL A 17 1.641 -11.766 12.258 1.00 0.00 N ATOM 207 CA VAL A 17 2.917 -11.069 12.358 1.00 0.00 C ATOM 208 C VAL A 17 2.870 -9.729 11.630 1.00 0.00 C ATOM 209 O VAL A 17 2.134 -9.565 10.656 1.00 0.00 O ATOM 210 CB VAL A 17 4.066 -11.914 11.779 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.531 -12.949 12.792 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.635 -12.582 10.482 1.00 0.00 C ATOM 0 H VAL A 17 1.144 -11.611 11.381 1.00 0.00 H new ATOM 0 HA VAL A 17 3.101 -10.898 13.419 1.00 0.00 H new ATOM 0 HB VAL A 17 4.905 -11.253 11.559 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.344 -13.537 12.365 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.882 -12.445 13.692 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.701 -13.608 13.046 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.460 -13.175 10.087 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.780 -13.231 10.673 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.356 -11.819 9.755 1.00 0.00 H new ATOM 222 N THR A 18 3.661 -8.774 12.109 1.00 0.00 N ATOM 223 CA THR A 18 3.708 -7.448 11.505 1.00 0.00 C ATOM 224 C THR A 18 4.782 -7.375 10.425 1.00 0.00 C ATOM 225 O THR A 18 5.893 -7.873 10.606 1.00 0.00 O ATOM 226 CB THR A 18 3.984 -6.360 12.560 1.00 0.00 C ATOM 227 OG1 THR A 18 3.065 -6.492 13.651 1.00 0.00 O ATOM 228 CG2 THR A 18 3.858 -4.972 11.951 1.00 0.00 C ATOM 0 H THR A 18 4.277 -8.894 12.913 1.00 0.00 H new ATOM 0 HA THR A 18 2.731 -7.270 11.056 1.00 0.00 H new ATOM 0 HB THR A 18 5.003 -6.489 12.925 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.160 -6.277 13.344 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.057 -4.220 12.715 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.577 -4.864 11.139 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.849 -4.836 11.562 1.00 0.00 H new ATOM 236 N ILE A 19 4.442 -6.751 9.302 1.00 0.00 N ATOM 237 CA ILE A 19 5.379 -6.611 8.193 1.00 0.00 C ATOM 238 C ILE A 19 5.608 -5.143 7.849 1.00 0.00 C ATOM 239 O ILE A 19 5.016 -4.255 8.459 1.00 0.00 O ATOM 240 CB ILE A 19 4.879 -7.350 6.938 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.499 -6.829 6.529 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.831 -8.850 7.189 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.166 -7.076 5.074 1.00 0.00 C ATOM 0 H ILE A 19 3.526 -6.335 9.136 1.00 0.00 H new ATOM 0 HA ILE A 19 6.320 -7.056 8.516 1.00 0.00 H new ATOM 0 HB ILE A 19 5.576 -7.160 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.741 -7.304 7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.450 -5.758 6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.476 -9.358 6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.830 -9.209 7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.153 -9.059 8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.174 -6.681 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.902 -6.578 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.182 -8.147 4.874 1.00 0.00 H new ATOM 255 N GLU A 20 6.469 -4.900 6.866 1.00 0.00 N ATOM 256 CA GLU A 20 6.775 -3.540 6.440 1.00 0.00 C ATOM 257 C GLU A 20 6.575 -3.383 4.935 1.00 0.00 C ATOM 258 O GLU A 20 7.162 -4.116 4.139 1.00 0.00 O ATOM 259 CB GLU A 20 8.214 -3.176 6.815 1.00 0.00 C ATOM 260 CG GLU A 20 8.362 -2.674 8.241 1.00 0.00 C ATOM 261 CD GLU A 20 9.767 -2.193 8.546 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.159 -1.130 8.019 1.00 0.00 O ATOM 263 OE2 GLU A 20 10.476 -2.880 9.312 1.00 0.00 O ATOM 0 H GLU A 20 6.966 -5.626 6.350 1.00 0.00 H new ATOM 0 HA GLU A 20 6.091 -2.864 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.849 -4.052 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.577 -2.410 6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.658 -1.859 8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.097 -3.473 8.933 1.00 0.00 H new ATOM 270 N VAL A 21 5.740 -2.421 4.552 1.00 0.00 N ATOM 271 CA VAL A 21 5.461 -2.167 3.143 1.00 0.00 C ATOM 272 C VAL A 21 5.937 -0.778 2.731 1.00 0.00 C ATOM 273 O VAL A 21 5.797 0.184 3.485 1.00 0.00 O ATOM 274 CB VAL A 21 3.957 -2.295 2.837 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.718 -2.312 1.335 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.385 -3.545 3.489 1.00 0.00 C ATOM 0 H VAL A 21 5.245 -1.805 5.198 1.00 0.00 H new ATOM 0 HA VAL A 21 6.005 -2.919 2.571 1.00 0.00 H new ATOM 0 HB VAL A 21 3.444 -1.428 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.650 -2.403 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.090 -1.386 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.242 -3.159 0.893 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.321 -3.619 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.901 -4.425 3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.523 -3.488 4.569 1.00 0.00 H new ATOM 286 N GLU A 22 6.498 -0.683 1.530 1.00 0.00 N ATOM 287 CA GLU A 22 6.993 0.589 1.018 1.00 0.00 C ATOM 288 C GLU A 22 5.856 1.417 0.423 1.00 0.00 C ATOM 289 O GLU A 22 5.348 1.109 -0.655 1.00 0.00 O ATOM 290 CB GLU A 22 8.074 0.353 -0.039 1.00 0.00 C ATOM 291 CG GLU A 22 9.422 -0.034 0.546 1.00 0.00 C ATOM 292 CD GLU A 22 10.269 -0.837 -0.423 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.440 -0.388 -1.575 1.00 0.00 O ATOM 294 OE2 GLU A 22 10.760 -1.915 -0.028 1.00 0.00 O ATOM 0 H GLU A 22 6.621 -1.471 0.894 1.00 0.00 H new ATOM 0 HA GLU A 22 7.425 1.143 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.742 -0.433 -0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.192 1.258 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.962 0.868 0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.266 -0.615 1.455 1.00 0.00 H new ATOM 301 N VAL A 23 5.463 2.468 1.134 1.00 0.00 N ATOM 302 CA VAL A 23 4.388 3.341 0.678 1.00 0.00 C ATOM 303 C VAL A 23 4.626 4.781 1.117 1.00 0.00 C ATOM 304 O VAL A 23 4.830 5.072 2.296 1.00 0.00 O ATOM 305 CB VAL A 23 3.021 2.873 1.211 1.00 0.00 C ATOM 306 CG1 VAL A 23 1.929 3.857 0.820 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.699 1.476 0.699 1.00 0.00 C ATOM 0 H VAL A 23 5.873 2.736 2.029 1.00 0.00 H new ATOM 0 HA VAL A 23 4.381 3.293 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 23 3.069 2.835 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.971 3.509 1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.155 4.837 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.878 3.931 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.730 1.161 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.669 1.486 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.467 0.779 1.035 1.00 0.00 H new ATOM 317 N PRO A 24 4.598 5.707 0.147 1.00 0.00 N ATOM 318 CA PRO A 24 4.808 7.135 0.409 1.00 0.00 C ATOM 319 C PRO A 24 3.647 7.760 1.173 1.00 0.00 C ATOM 320 O PRO A 24 2.481 7.504 0.870 1.00 0.00 O ATOM 321 CB PRO A 24 4.913 7.740 -0.993 1.00 0.00 C ATOM 322 CG PRO A 24 4.159 6.801 -1.870 1.00 0.00 C ATOM 323 CD PRO A 24 4.360 5.432 -1.280 1.00 0.00 C ATOM 0 HA PRO A 24 5.685 7.311 1.031 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.484 8.742 -1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.952 7.828 -1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.101 7.061 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.528 6.842 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.485 4.799 -1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.206 4.918 -1.737 1.00 0.00 H new ATOM 331 N PHE A 25 3.972 8.581 2.166 1.00 0.00 N ATOM 332 CA PHE A 25 2.955 9.243 2.974 1.00 0.00 C ATOM 333 C PHE A 25 1.988 10.031 2.095 1.00 0.00 C ATOM 334 O PHE A 25 0.802 10.146 2.405 1.00 0.00 O ATOM 335 CB PHE A 25 3.612 10.177 3.993 1.00 0.00 C ATOM 336 CG PHE A 25 2.669 10.663 5.056 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.716 11.628 4.767 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.733 10.157 6.344 1.00 0.00 C ATOM 339 CE1 PHE A 25 0.846 12.078 5.742 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.866 10.603 7.323 1.00 0.00 C ATOM 341 CZ PHE A 25 0.922 11.565 7.023 1.00 0.00 C ATOM 0 H PHE A 25 4.932 8.804 2.430 1.00 0.00 H new ATOM 0 HA PHE A 25 2.392 8.475 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.444 9.657 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.030 11.036 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.653 12.033 3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.469 9.405 6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.108 12.829 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.927 10.199 8.323 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.245 11.916 7.788 1.00 0.00 H new ATOM 351 N ASP A 26 2.505 10.573 0.998 1.00 0.00 N ATOM 352 CA ASP A 26 1.689 11.350 0.072 1.00 0.00 C ATOM 353 C ASP A 26 0.452 10.564 -0.355 1.00 0.00 C ATOM 354 O ASP A 26 -0.542 11.141 -0.795 1.00 0.00 O ATOM 355 CB ASP A 26 2.508 11.743 -1.158 1.00 0.00 C ATOM 356 CG ASP A 26 3.536 12.814 -0.851 1.00 0.00 C ATOM 357 OD1 ASP A 26 3.188 13.787 -0.149 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.689 12.678 -1.310 1.00 0.00 O ATOM 0 H ASP A 26 3.485 10.489 0.728 1.00 0.00 H new ATOM 0 HA ASP A 26 1.363 12.254 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.013 10.861 -1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.837 12.101 -1.939 1.00 0.00 H new ATOM 363 N LEU A 27 0.523 9.244 -0.223 1.00 0.00 N ATOM 364 CA LEU A 27 -0.589 8.377 -0.596 1.00 0.00 C ATOM 365 C LEU A 27 -1.461 8.059 0.614 1.00 0.00 C ATOM 366 O LEU A 27 -2.677 7.908 0.495 1.00 0.00 O ATOM 367 CB LEU A 27 -0.065 7.081 -1.217 1.00 0.00 C ATOM 368 CG LEU A 27 0.451 7.186 -2.652 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.112 5.883 -3.079 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.681 7.547 -3.603 1.00 0.00 C ATOM 0 H LEU A 27 1.339 8.751 0.140 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.198 8.904 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.741 6.701 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.865 6.341 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 27 1.198 7.979 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.473 5.977 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.950 5.666 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.386 5.072 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.294 7.617 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.451 6.777 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.110 8.506 -3.311 1.00 0.00 H new ATOM 382 N HIS A 28 -0.831 7.959 1.781 1.00 0.00 N ATOM 383 CA HIS A 28 -1.549 7.660 3.014 1.00 0.00 C ATOM 384 C HIS A 28 -2.877 8.412 3.066 1.00 0.00 C ATOM 385 O HIS A 28 -3.915 7.834 3.386 1.00 0.00 O ATOM 386 CB HIS A 28 -0.696 8.028 4.228 1.00 0.00 C ATOM 387 CG HIS A 28 0.494 7.136 4.415 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.262 7.137 5.560 1.00 0.00 N ATOM 389 CD2 HIS A 28 1.044 6.210 3.596 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.235 6.252 5.436 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.125 5.676 4.253 1.00 0.00 N ATOM 0 H HIS A 28 0.175 8.081 1.898 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.755 6.590 3.034 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.355 9.058 4.124 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.316 7.986 5.124 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.697 5.941 2.609 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.991 6.036 6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.743 4.952 3.887 1.00 0.00 H new ATOM 399 N ARG A 29 -2.832 9.701 2.749 1.00 0.00 N ATOM 400 CA ARG A 29 -4.031 10.532 2.760 1.00 0.00 C ATOM 401 C ARG A 29 -5.153 9.879 1.958 1.00 0.00 C ATOM 402 O ARG A 29 -6.318 9.919 2.354 1.00 0.00 O ATOM 403 CB ARG A 29 -3.722 11.918 2.191 1.00 0.00 C ATOM 404 CG ARG A 29 -3.370 11.905 0.713 1.00 0.00 C ATOM 405 CD ARG A 29 -3.045 13.301 0.205 1.00 0.00 C ATOM 406 NE ARG A 29 -4.213 14.179 0.230 1.00 0.00 N ATOM 407 CZ ARG A 29 -4.588 14.872 1.300 1.00 0.00 C ATOM 408 NH1 ARG A 29 -3.892 14.790 2.424 1.00 0.00 N ATOM 409 NH2 ARG A 29 -5.662 15.648 1.245 1.00 0.00 N ATOM 0 H ARG A 29 -1.980 10.193 2.481 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.361 10.637 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.586 12.565 2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.894 12.354 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.516 11.248 0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.203 11.494 0.143 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.253 13.734 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.662 13.236 -0.813 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.771 14.264 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.066 14.194 2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.182 15.323 3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.201 15.713 0.381 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.950 16.180 2.067 1.00 0.00 H new ATOM 423 N TYR A 30 -4.794 9.279 0.828 1.00 0.00 N ATOM 424 CA TYR A 30 -5.769 8.620 -0.031 1.00 0.00 C ATOM 425 C TYR A 30 -6.065 7.207 0.463 1.00 0.00 C ATOM 426 O TYR A 30 -7.211 6.759 0.448 1.00 0.00 O ATOM 427 CB TYR A 30 -5.260 8.572 -1.472 1.00 0.00 C ATOM 428 CG TYR A 30 -4.870 9.926 -2.023 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.790 10.966 -2.078 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.583 10.164 -2.486 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.438 12.203 -2.582 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.221 11.399 -2.989 1.00 0.00 C ATOM 433 CZ TYR A 30 -4.152 12.415 -3.035 1.00 0.00 C ATOM 434 OH TYR A 30 -3.798 13.647 -3.536 1.00 0.00 O ATOM 0 H TYR A 30 -3.834 9.236 0.486 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.693 9.197 0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.398 7.907 -1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -6.033 8.140 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.796 10.805 -1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.852 9.370 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.166 13.000 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.215 11.567 -3.344 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.858 13.630 -3.811 1.00 0.00 H new ATOM 444 N VAL A 31 -5.021 6.510 0.901 1.00 0.00 N ATOM 445 CA VAL A 31 -5.168 5.149 1.403 1.00 0.00 C ATOM 446 C VAL A 31 -6.163 5.092 2.556 1.00 0.00 C ATOM 447 O VAL A 31 -7.165 4.380 2.490 1.00 0.00 O ATOM 448 CB VAL A 31 -3.818 4.577 1.875 1.00 0.00 C ATOM 449 CG1 VAL A 31 -3.985 3.144 2.357 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.787 4.657 0.759 1.00 0.00 C ATOM 0 H VAL A 31 -4.065 6.865 0.918 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.541 4.545 0.576 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.461 5.177 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.021 2.756 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.689 3.120 3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.364 2.528 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.839 4.249 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.135 4.082 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.648 5.698 0.466 1.00 0.00 H new ATOM 460 N ILE A 32 -5.879 5.846 3.613 1.00 0.00 N ATOM 461 CA ILE A 32 -6.751 5.883 4.780 1.00 0.00 C ATOM 462 C ILE A 32 -8.160 6.324 4.401 1.00 0.00 C ATOM 463 O ILE A 32 -9.123 5.577 4.569 1.00 0.00 O ATOM 464 CB ILE A 32 -6.202 6.830 5.863 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.766 6.447 6.226 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.092 6.797 7.097 1.00 0.00 C ATOM 467 CD1 ILE A 32 -3.962 7.592 6.803 1.00 0.00 C ATOM 0 H ILE A 32 -5.052 6.439 3.685 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.786 4.869 5.179 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.199 7.846 5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.788 5.630 6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.262 6.073 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.691 7.472 7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.100 7.113 6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.124 5.783 7.496 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.955 7.248 7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.909 8.402 6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.443 7.952 7.713 1.00 0.00 H new ATOM 550 N ILE A 39 -8.911 1.386 3.587 1.00 0.00 N ATOM 551 CA ILE A 39 -8.072 0.416 4.278 1.00 0.00 C ATOM 552 C ILE A 39 -8.910 -0.715 4.867 1.00 0.00 C ATOM 553 O ILE A 39 -8.492 -1.872 4.874 1.00 0.00 O ATOM 554 CB ILE A 39 -7.257 1.078 5.404 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.340 2.161 4.832 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.446 0.032 6.155 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.305 2.659 5.816 1.00 0.00 C ATOM 0 HA ILE A 39 -7.385 0.007 3.537 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.948 1.547 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.832 1.768 3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.948 3.002 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.875 0.515 6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.119 -0.707 6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.762 -0.463 5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.691 3.425 5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.805 3.083 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.672 1.829 6.129 1.00 0.00 H new ATOM 569 N ARG A 40 -10.095 -0.370 5.361 1.00 0.00 N ATOM 570 CA ARG A 40 -10.992 -1.355 5.952 1.00 0.00 C ATOM 571 C ARG A 40 -11.338 -2.448 4.946 1.00 0.00 C ATOM 572 O ARG A 40 -11.077 -3.628 5.180 1.00 0.00 O ATOM 573 CB ARG A 40 -12.272 -0.679 6.447 1.00 0.00 C ATOM 574 CG ARG A 40 -13.118 -1.563 7.347 1.00 0.00 C ATOM 575 CD ARG A 40 -12.732 -1.401 8.809 1.00 0.00 C ATOM 576 NE ARG A 40 -13.264 -2.481 9.638 1.00 0.00 N ATOM 577 CZ ARG A 40 -13.310 -2.434 10.965 1.00 0.00 C ATOM 578 NH1 ARG A 40 -12.859 -1.367 11.610 1.00 0.00 N ATOM 579 NH2 ARG A 40 -13.809 -3.456 11.649 1.00 0.00 N ATOM 0 H ARG A 40 -10.456 0.584 5.363 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.480 -1.813 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.007 0.229 6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.868 -0.374 5.587 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.171 -1.314 7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.999 -2.605 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.646 -1.378 8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.102 -0.445 9.178 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.619 -3.316 9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.475 -0.579 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.896 -1.334 12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.157 -4.278 11.156 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.844 -3.419 12.668 1.00 0.00 H new ATOM 593 N LYS A 41 -11.928 -2.047 3.824 1.00 0.00 N ATOM 594 CA LYS A 41 -12.309 -2.992 2.781 1.00 0.00 C ATOM 595 C LYS A 41 -11.249 -4.075 2.613 1.00 0.00 C ATOM 596 O LYS A 41 -11.571 -5.251 2.446 1.00 0.00 O ATOM 597 CB LYS A 41 -12.520 -2.259 1.454 1.00 0.00 C ATOM 598 CG LYS A 41 -11.348 -1.381 1.052 1.00 0.00 C ATOM 599 CD LYS A 41 -11.450 -0.946 -0.401 1.00 0.00 C ATOM 600 CE LYS A 41 -10.075 -0.748 -1.021 1.00 0.00 C ATOM 601 NZ LYS A 41 -9.588 0.649 -0.854 1.00 0.00 N ATOM 0 H LYS A 41 -12.152 -1.074 3.614 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.243 -3.468 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.700 -2.992 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.416 -1.643 1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.314 -0.501 1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.416 -1.924 1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.002 -1.695 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.016 -0.017 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.367 -1.437 -0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.116 -0.994 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.648 0.743 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.251 1.305 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.524 0.876 0.159 1.00 0.00 H new ATOM 615 N MET A 42 -9.984 -3.671 2.660 1.00 0.00 N ATOM 616 CA MET A 42 -8.876 -4.609 2.515 1.00 0.00 C ATOM 617 C MET A 42 -8.733 -5.477 3.762 1.00 0.00 C ATOM 618 O MET A 42 -8.657 -6.702 3.670 1.00 0.00 O ATOM 619 CB MET A 42 -7.572 -3.855 2.252 1.00 0.00 C ATOM 620 CG MET A 42 -7.596 -3.026 0.978 1.00 0.00 C ATOM 621 SD MET A 42 -6.382 -1.692 0.995 1.00 0.00 S ATOM 622 CE MET A 42 -4.860 -2.621 1.161 1.00 0.00 C ATOM 0 H MET A 42 -9.700 -2.701 2.797 1.00 0.00 H new ATOM 0 HA MET A 42 -9.090 -5.257 1.665 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.363 -3.200 3.098 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.753 -4.572 2.194 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.405 -3.675 0.123 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.592 -2.604 0.842 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.257 -2.192 1.961 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.092 -3.659 1.398 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.304 -2.578 0.225 1.00 0.00 H new ATOM 632 N MET A 43 -8.696 -4.834 4.924 1.00 0.00 N ATOM 633 CA MET A 43 -8.563 -5.549 6.189 1.00 0.00 C ATOM 634 C MET A 43 -9.634 -6.628 6.319 1.00 0.00 C ATOM 635 O MET A 43 -9.341 -7.761 6.699 1.00 0.00 O ATOM 636 CB MET A 43 -8.660 -4.573 7.363 1.00 0.00 C ATOM 637 CG MET A 43 -7.507 -3.585 7.429 1.00 0.00 C ATOM 638 SD MET A 43 -7.467 -2.668 8.981 1.00 0.00 S ATOM 639 CE MET A 43 -8.885 -1.593 8.775 1.00 0.00 C ATOM 0 H MET A 43 -8.756 -3.820 5.017 1.00 0.00 H new ATOM 0 HA MET A 43 -7.585 -6.030 6.205 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.597 -4.021 7.289 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.696 -5.139 8.294 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.566 -4.121 7.304 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.587 -2.883 6.599 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.952 -0.912 9.624 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.775 -1.017 7.856 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.792 -2.194 8.720 1.00 0.00 H new ATOM 649 N ASP A 44 -10.871 -6.268 6.000 1.00 0.00 N ATOM 650 CA ASP A 44 -11.985 -7.206 6.082 1.00 0.00 C ATOM 651 C ASP A 44 -11.854 -8.297 5.023 1.00 0.00 C ATOM 652 O ASP A 44 -12.228 -9.446 5.254 1.00 0.00 O ATOM 653 CB ASP A 44 -13.314 -6.469 5.911 1.00 0.00 C ATOM 654 CG ASP A 44 -13.876 -5.974 7.229 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.207 -5.148 7.886 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.983 -6.412 7.605 1.00 0.00 O ATOM 0 H ASP A 44 -11.129 -5.334 5.682 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.963 -7.674 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.173 -5.623 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.037 -7.134 5.438 1.00 0.00 H new ATOM 661 N GLU A 45 -11.323 -7.927 3.862 1.00 0.00 N ATOM 662 CA GLU A 45 -11.144 -8.875 2.768 1.00 0.00 C ATOM 663 C GLU A 45 -10.089 -9.919 3.119 1.00 0.00 C ATOM 664 O GLU A 45 -10.351 -11.121 3.078 1.00 0.00 O ATOM 665 CB GLU A 45 -10.745 -8.139 1.487 1.00 0.00 C ATOM 666 CG GLU A 45 -10.323 -9.067 0.360 1.00 0.00 C ATOM 667 CD GLU A 45 -11.506 -9.697 -0.351 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.145 -10.591 0.243 1.00 0.00 O ATOM 669 OE2 GLU A 45 -11.792 -9.297 -1.498 1.00 0.00 O ATOM 0 H GLU A 45 -11.010 -6.979 3.655 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.093 -9.386 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.585 -7.531 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.926 -7.456 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.726 -8.509 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.684 -9.854 0.762 1.00 0.00 H new ATOM 676 N PHE A 46 -8.893 -9.451 3.463 1.00 0.00 N ATOM 677 CA PHE A 46 -7.797 -10.343 3.820 1.00 0.00 C ATOM 678 C PHE A 46 -7.801 -10.641 5.317 1.00 0.00 C ATOM 679 O PHE A 46 -6.962 -11.390 5.813 1.00 0.00 O ATOM 680 CB PHE A 46 -6.457 -9.725 3.415 1.00 0.00 C ATOM 681 CG PHE A 46 -6.409 -9.284 1.980 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.360 -10.217 0.957 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.410 -7.938 1.655 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.316 -9.814 -0.365 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.367 -7.530 0.335 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.318 -8.469 -0.676 1.00 0.00 C ATOM 0 H PHE A 46 -8.659 -8.459 3.502 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.935 -11.281 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.252 -8.868 4.057 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.663 -10.451 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.356 -11.271 1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.445 -7.199 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.280 -10.551 -1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.372 -6.477 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.281 -8.152 -1.708 1.00 0.00 H new ATOM 696 N GLU A 47 -8.754 -10.046 6.028 1.00 0.00 N ATOM 697 CA GLU A 47 -8.868 -10.246 7.468 1.00 0.00 C ATOM 698 C GLU A 47 -7.576 -9.846 8.177 1.00 0.00 C ATOM 699 O GLU A 47 -7.183 -10.460 9.169 1.00 0.00 O ATOM 700 CB GLU A 47 -9.202 -11.707 7.779 1.00 0.00 C ATOM 701 CG GLU A 47 -10.629 -12.092 7.429 1.00 0.00 C ATOM 702 CD GLU A 47 -10.887 -13.578 7.582 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.996 -14.375 7.220 1.00 0.00 O ATOM 704 OE2 GLU A 47 -11.979 -13.945 8.064 1.00 0.00 O ATOM 0 H GLU A 47 -9.457 -9.423 5.631 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.675 -9.611 7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.516 -12.353 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.035 -11.891 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.317 -11.540 8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.840 -11.794 6.402 1.00 0.00 H new ATOM 711 N VAL A 48 -6.918 -8.815 7.658 1.00 0.00 N ATOM 712 CA VAL A 48 -5.672 -8.332 8.240 1.00 0.00 C ATOM 713 C VAL A 48 -5.855 -6.957 8.871 1.00 0.00 C ATOM 714 O VAL A 48 -6.938 -6.375 8.812 1.00 0.00 O ATOM 715 CB VAL A 48 -4.553 -8.256 7.184 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.244 -9.638 6.631 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.940 -7.300 6.066 1.00 0.00 C ATOM 0 H VAL A 48 -7.227 -8.298 6.835 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.386 -9.046 9.012 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.652 -7.874 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.451 -9.563 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.920 -10.290 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.139 -10.053 6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.138 -7.259 5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.855 -7.651 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.105 -6.305 6.479 1.00 0.00 H new ATOM 727 N ASN A 49 -4.789 -6.441 9.474 1.00 0.00 N ATOM 728 CA ASN A 49 -4.833 -5.133 10.117 1.00 0.00 C ATOM 729 C ASN A 49 -3.691 -4.247 9.626 1.00 0.00 C ATOM 730 O ASN A 49 -2.518 -4.541 9.862 1.00 0.00 O ATOM 731 CB ASN A 49 -4.756 -5.286 11.638 1.00 0.00 C ATOM 732 CG ASN A 49 -5.976 -5.980 12.210 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.184 -7.231 11.817 1.00 0.00 O flip ATOM 734 ND2 ASN A 49 -6.724 -5.398 12.997 1.00 0.00 N flip ATOM 0 H ASN A 49 -3.884 -6.909 9.531 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.778 -4.658 9.853 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.863 -5.853 11.899 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.653 -4.302 12.095 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.526 -4.436 13.272 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.541 -5.878 13.374 1.00 0.00 H new ATOM 741 N ILE A 50 -4.043 -3.163 8.943 1.00 0.00 N ATOM 742 CA ILE A 50 -3.049 -2.234 8.420 1.00 0.00 C ATOM 743 C ILE A 50 -2.915 -1.009 9.317 1.00 0.00 C ATOM 744 O ILE A 50 -3.909 -0.369 9.664 1.00 0.00 O ATOM 745 CB ILE A 50 -3.401 -1.775 6.993 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.491 -2.981 6.054 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.370 -0.779 6.486 1.00 0.00 C ATOM 748 CD1 ILE A 50 -3.968 -2.629 4.663 1.00 0.00 C ATOM 0 H ILE A 50 -5.009 -2.906 8.739 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.100 -2.770 8.396 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.373 -1.281 7.016 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.510 -3.451 5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.168 -3.718 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.634 -0.465 5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.350 0.090 7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.386 -1.248 6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.007 -3.531 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.962 -2.186 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.279 -1.916 4.212 1.00 0.00 H new ATOM 760 N HIS A 51 -1.681 -0.685 9.691 1.00 0.00 N ATOM 761 CA HIS A 51 -1.417 0.465 10.546 1.00 0.00 C ATOM 762 C HIS A 51 -0.542 1.488 9.827 1.00 0.00 C ATOM 763 O HIS A 51 0.491 1.142 9.254 1.00 0.00 O ATOM 764 CB HIS A 51 -0.742 0.019 11.843 1.00 0.00 C ATOM 765 CG HIS A 51 -1.708 -0.333 12.931 1.00 0.00 C ATOM 766 ND1 HIS A 51 -2.355 0.613 13.698 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.137 -1.536 13.380 1.00 0.00 C ATOM 768 CE1 HIS A 51 -3.140 0.007 14.571 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.025 -1.298 14.398 1.00 0.00 N ATOM 0 H HIS A 51 -0.848 -1.204 9.414 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.371 0.935 10.786 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.111 -0.845 11.636 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.087 0.816 12.194 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.836 -2.503 13.006 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.768 0.495 15.301 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.517 -2.013 14.935 1.00 0.00 H new ATOM 777 N VAL A 52 -0.962 2.748 9.861 1.00 0.00 N ATOM 778 CA VAL A 52 -0.217 3.821 9.214 1.00 0.00 C ATOM 779 C VAL A 52 0.457 4.722 10.243 1.00 0.00 C ATOM 780 O VAL A 52 -0.119 5.064 11.276 1.00 0.00 O ATOM 781 CB VAL A 52 -1.130 4.678 8.317 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.348 5.827 7.700 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.773 3.820 7.237 1.00 0.00 C ATOM 0 H VAL A 52 -1.815 3.051 10.330 1.00 0.00 H new ATOM 0 HA VAL A 52 0.546 3.347 8.596 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.923 5.100 8.934 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.010 6.421 7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.060 6.456 8.491 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.467 5.429 7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.415 4.442 6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.996 3.367 6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.370 3.036 7.703 1.00 0.00 H new ATOM 793 N PRO A 53 1.706 5.116 9.957 1.00 0.00 N ATOM 794 CA PRO A 53 2.485 5.984 10.845 1.00 0.00 C ATOM 795 C PRO A 53 1.941 7.407 10.889 1.00 0.00 C ATOM 796 O PRO A 53 1.593 7.981 9.857 1.00 0.00 O ATOM 797 CB PRO A 53 3.883 5.965 10.222 1.00 0.00 C ATOM 798 CG PRO A 53 3.654 5.653 8.785 1.00 0.00 C ATOM 799 CD PRO A 53 2.455 4.746 8.744 1.00 0.00 C ATOM 0 HA PRO A 53 2.459 5.638 11.878 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.383 6.926 10.343 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.516 5.214 10.694 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.475 6.563 8.212 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.526 5.167 8.347 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.863 4.903 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.745 3.695 8.756 1.00 0.00 H new ATOM 807 N ALA A 54 1.869 7.972 12.089 1.00 0.00 N ATOM 808 CA ALA A 54 1.369 9.329 12.267 1.00 0.00 C ATOM 809 C ALA A 54 2.027 10.290 11.281 1.00 0.00 C ATOM 810 O ALA A 54 3.058 9.989 10.679 1.00 0.00 O ATOM 811 CB ALA A 54 1.603 9.796 13.696 1.00 0.00 C ATOM 0 H ALA A 54 2.151 7.510 12.954 1.00 0.00 H new ATOM 0 HA ALA A 54 0.297 9.323 12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.224 10.811 13.814 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.082 9.132 14.386 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.671 9.780 13.914 1.00 0.00 H new ATOM 817 N PRO A 55 1.418 11.472 11.110 1.00 0.00 N ATOM 818 CA PRO A 55 1.927 12.500 10.197 1.00 0.00 C ATOM 819 C PRO A 55 3.223 13.130 10.698 1.00 0.00 C ATOM 820 O PRO A 55 4.054 13.573 9.906 1.00 0.00 O ATOM 821 CB PRO A 55 0.804 13.540 10.172 1.00 0.00 C ATOM 822 CG PRO A 55 0.093 13.362 11.469 1.00 0.00 C ATOM 823 CD PRO A 55 0.186 11.898 11.795 1.00 0.00 C ATOM 0 HA PRO A 55 2.170 12.090 9.217 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.202 14.550 10.074 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.134 13.378 9.328 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.552 13.966 12.252 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.947 13.679 11.391 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.245 11.729 12.870 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.684 11.350 11.434 1.00 0.00 H new ATOM 831 N GLU A 56 3.388 13.165 12.017 1.00 0.00 N ATOM 832 CA GLU A 56 4.584 13.739 12.622 1.00 0.00 C ATOM 833 C GLU A 56 5.817 12.907 12.287 1.00 0.00 C ATOM 834 O GLU A 56 6.911 13.443 12.104 1.00 0.00 O ATOM 835 CB GLU A 56 4.417 13.838 14.140 1.00 0.00 C ATOM 836 CG GLU A 56 4.466 12.493 14.845 1.00 0.00 C ATOM 837 CD GLU A 56 4.393 12.623 16.355 1.00 0.00 C ATOM 838 OE1 GLU A 56 3.369 13.132 16.858 1.00 0.00 O ATOM 839 OE2 GLU A 56 5.359 12.216 17.032 1.00 0.00 O ATOM 0 H GLU A 56 2.709 12.803 12.686 1.00 0.00 H new ATOM 0 HA GLU A 56 4.722 14.740 12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.201 14.479 14.543 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.465 14.321 14.362 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.639 11.874 14.497 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.387 11.977 14.572 1.00 0.00 H new ATOM 846 N LEU A 57 5.634 11.593 12.210 1.00 0.00 N ATOM 847 CA LEU A 57 6.732 10.685 11.898 1.00 0.00 C ATOM 848 C LEU A 57 7.143 10.810 10.433 1.00 0.00 C ATOM 849 O LEU A 57 8.237 10.398 10.049 1.00 0.00 O ATOM 850 CB LEU A 57 6.328 9.241 12.204 1.00 0.00 C ATOM 851 CG LEU A 57 5.953 8.943 13.656 1.00 0.00 C ATOM 852 CD1 LEU A 57 5.180 7.637 13.750 1.00 0.00 C ATOM 853 CD2 LEU A 57 7.199 8.892 14.528 1.00 0.00 C ATOM 0 H LEU A 57 4.736 11.133 12.359 1.00 0.00 H new ATOM 0 HA LEU A 57 7.584 10.958 12.520 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.481 8.980 11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.152 8.586 11.921 1.00 0.00 H new ATOM 0 HG LEU A 57 5.313 9.747 14.019 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.922 7.441 14.791 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.268 7.710 13.157 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.795 6.822 13.369 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.914 8.679 15.558 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.864 8.108 14.166 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.713 9.852 14.485 1.00 0.00 H new ATOM 865 N GLN A 58 6.258 11.383 9.623 1.00 0.00 N ATOM 866 CA GLN A 58 6.531 11.563 8.201 1.00 0.00 C ATOM 867 C GLN A 58 7.274 10.359 7.632 1.00 0.00 C ATOM 868 O GLN A 58 8.267 10.510 6.921 1.00 0.00 O ATOM 869 CB GLN A 58 7.350 12.836 7.976 1.00 0.00 C ATOM 870 CG GLN A 58 6.790 14.054 8.692 1.00 0.00 C ATOM 871 CD GLN A 58 5.798 14.825 7.845 1.00 0.00 C ATOM 872 OE1 GLN A 58 4.654 14.210 7.566 1.00 0.00 O flip ATOM 873 NE2 GLN A 58 6.055 15.960 7.445 1.00 0.00 N flip ATOM 0 H GLN A 58 5.348 11.730 9.926 1.00 0.00 H new ATOM 0 HA GLN A 58 5.577 11.656 7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.372 12.665 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.398 13.043 6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.304 13.737 9.615 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.611 14.714 8.974 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.946 16.395 7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.377 16.466 6.876 1.00 0.00 H new ATOM 882 N SER A 59 6.786 9.164 7.951 1.00 0.00 N ATOM 883 CA SER A 59 7.406 7.934 7.474 1.00 0.00 C ATOM 884 C SER A 59 6.712 7.429 6.213 1.00 0.00 C ATOM 885 O SER A 59 5.569 7.790 5.933 1.00 0.00 O ATOM 886 CB SER A 59 7.357 6.859 8.562 1.00 0.00 C ATOM 887 OG SER A 59 8.398 5.912 8.391 1.00 0.00 O ATOM 0 H SER A 59 5.964 9.022 8.537 1.00 0.00 H new ATOM 0 HA SER A 59 8.447 8.150 7.233 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.444 7.326 9.543 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.392 6.353 8.534 1.00 0.00 H new ATOM 0 HG SER A 59 8.346 5.237 9.100 1.00 0.00 H new ATOM 893 N ASP A 60 7.411 6.590 5.457 1.00 0.00 N ATOM 894 CA ASP A 60 6.863 6.033 4.225 1.00 0.00 C ATOM 895 C ASP A 60 6.802 4.511 4.298 1.00 0.00 C ATOM 896 O ASP A 60 6.722 3.834 3.271 1.00 0.00 O ATOM 897 CB ASP A 60 7.706 6.466 3.025 1.00 0.00 C ATOM 898 CG ASP A 60 7.903 7.968 2.966 1.00 0.00 C ATOM 899 OD1 ASP A 60 6.934 8.679 2.629 1.00 0.00 O ATOM 900 OD2 ASP A 60 9.026 8.431 3.257 1.00 0.00 O ATOM 0 H ASP A 60 8.358 6.280 5.675 1.00 0.00 H new ATOM 0 HA ASP A 60 5.849 6.414 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.679 5.977 3.073 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.225 6.129 2.107 1.00 0.00 H new ATOM 905 N ILE A 61 6.840 3.979 5.514 1.00 0.00 N ATOM 906 CA ILE A 61 6.789 2.537 5.719 1.00 0.00 C ATOM 907 C ILE A 61 5.567 2.143 6.543 1.00 0.00 C ATOM 908 O ILE A 61 5.484 2.445 7.734 1.00 0.00 O ATOM 909 CB ILE A 61 8.057 2.023 6.426 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.300 2.697 5.842 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.158 0.511 6.298 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.614 2.265 4.426 1.00 0.00 C ATOM 0 H ILE A 61 6.906 4.525 6.373 1.00 0.00 H new ATOM 0 HA ILE A 61 6.723 2.080 4.732 1.00 0.00 H new ATOM 0 HB ILE A 61 7.993 2.275 7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.160 3.778 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.156 2.476 6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.059 0.163 6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.284 0.048 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.204 0.237 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.507 2.783 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.787 1.189 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.775 2.511 3.776 1.00 0.00 H new ATOM 924 N ILE A 62 4.621 1.465 5.901 1.00 0.00 N ATOM 925 CA ILE A 62 3.406 1.025 6.575 1.00 0.00 C ATOM 926 C ILE A 62 3.598 -0.345 7.216 1.00 0.00 C ATOM 927 O ILE A 62 4.285 -1.207 6.670 1.00 0.00 O ATOM 928 CB ILE A 62 2.214 0.962 5.601 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.733 2.374 5.257 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.083 0.141 6.202 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.664 2.403 4.188 1.00 0.00 C ATOM 0 H ILE A 62 4.673 1.209 4.915 1.00 0.00 H new ATOM 0 HA ILE A 62 3.192 1.759 7.352 1.00 0.00 H new ATOM 0 HB ILE A 62 2.539 0.476 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.346 2.847 6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.584 2.968 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.248 0.105 5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.434 -0.872 6.400 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.756 0.600 7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.371 3.435 3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.053 1.959 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.204 1.836 4.526 1.00 0.00 H new ATOM 943 N ALA A 63 2.982 -0.539 8.378 1.00 0.00 N ATOM 944 CA ALA A 63 3.081 -1.806 9.092 1.00 0.00 C ATOM 945 C ALA A 63 1.770 -2.580 9.021 1.00 0.00 C ATOM 946 O ALA A 63 0.725 -2.093 9.456 1.00 0.00 O ATOM 947 CB ALA A 63 3.476 -1.565 10.542 1.00 0.00 C ATOM 0 H ALA A 63 2.410 0.165 8.844 1.00 0.00 H new ATOM 0 HA ALA A 63 3.853 -2.406 8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.546 -2.520 11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.442 -1.060 10.577 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.723 -0.942 11.025 1.00 0.00 H new ATOM 953 N ILE A 64 1.830 -3.787 8.470 1.00 0.00 N ATOM 954 CA ILE A 64 0.646 -4.629 8.343 1.00 0.00 C ATOM 955 C ILE A 64 0.767 -5.881 9.205 1.00 0.00 C ATOM 956 O ILE A 64 1.759 -6.606 9.135 1.00 0.00 O ATOM 957 CB ILE A 64 0.409 -5.048 6.880 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.354 -3.816 5.975 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.875 -5.856 6.763 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.317 -4.150 4.501 1.00 0.00 C ATOM 0 H ILE A 64 2.686 -4.205 8.104 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.202 -4.036 8.685 1.00 0.00 H new ATOM 0 HB ILE A 64 1.241 -5.674 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.528 -3.228 6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.223 -3.189 6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.029 -6.145 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.800 -6.751 7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.717 -5.252 7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.279 -3.229 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.212 -4.711 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.566 -4.751 4.286 1.00 0.00 H new ATOM 972 N THR A 65 -0.254 -6.131 10.020 1.00 0.00 N ATOM 973 CA THR A 65 -0.265 -7.294 10.898 1.00 0.00 C ATOM 974 C THR A 65 -1.200 -8.375 10.367 1.00 0.00 C ATOM 975 O THR A 65 -2.292 -8.080 9.882 1.00 0.00 O ATOM 976 CB THR A 65 -0.694 -6.918 12.328 1.00 0.00 C ATOM 977 OG1 THR A 65 0.110 -5.836 12.812 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.565 -8.109 13.264 1.00 0.00 C ATOM 0 H THR A 65 -1.084 -5.543 10.090 1.00 0.00 H new ATOM 0 HA THR A 65 0.755 -7.678 10.923 1.00 0.00 H new ATOM 0 HB THR A 65 -1.739 -6.610 12.300 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.170 -5.602 13.721 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.874 -7.818 14.268 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.201 -8.921 12.910 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.472 -8.444 13.286 1.00 0.00 H new ATOM 986 N GLY A 66 -0.765 -9.628 10.463 1.00 0.00 N ATOM 987 CA GLY A 66 -1.578 -10.732 9.988 1.00 0.00 C ATOM 988 C GLY A 66 -0.761 -11.985 9.735 1.00 0.00 C ATOM 989 O GLY A 66 0.469 -11.948 9.762 1.00 0.00 O ATOM 0 H GLY A 66 0.135 -9.898 10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.354 -10.950 10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.082 -10.438 9.067 1.00 0.00 H new ATOM 993 N LEU A 67 -1.447 -13.096 9.490 1.00 0.00 N ATOM 994 CA LEU A 67 -0.778 -14.366 9.231 1.00 0.00 C ATOM 995 C LEU A 67 0.063 -14.291 7.960 1.00 0.00 C ATOM 996 O LEU A 67 -0.369 -13.732 6.952 1.00 0.00 O ATOM 997 CB LEU A 67 -1.806 -15.493 9.111 1.00 0.00 C ATOM 998 CG LEU A 67 -2.557 -15.854 10.392 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.674 -16.844 10.095 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.600 -16.424 11.429 1.00 0.00 C ATOM 0 H LEU A 67 -2.466 -13.143 9.465 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.115 -14.576 10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.536 -15.212 8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.296 -16.386 8.748 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.002 -14.945 10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.198 -17.090 11.019 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.375 -16.401 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.251 -17.752 9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.152 -16.675 12.334 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.126 -17.322 11.032 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.835 -15.684 11.664 1.00 0.00 H new ATOM 1012 N ALA A 68 1.263 -14.860 8.016 1.00 0.00 N ATOM 1013 CA ALA A 68 2.161 -14.861 6.868 1.00 0.00 C ATOM 1014 C ALA A 68 1.384 -15.011 5.564 1.00 0.00 C ATOM 1015 O ALA A 68 1.687 -14.350 4.570 1.00 0.00 O ATOM 1016 CB ALA A 68 3.189 -15.974 7.004 1.00 0.00 C ATOM 0 H ALA A 68 1.635 -15.326 8.844 1.00 0.00 H new ATOM 0 HA ALA A 68 2.680 -13.903 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.853 -15.963 6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.772 -15.822 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.679 -16.936 7.058 1.00 0.00 H new ATOM 1022 N ALA A 69 0.383 -15.885 5.573 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.436 -16.121 4.392 1.00 0.00 C ATOM 1024 C ALA A 69 -1.240 -14.878 4.024 1.00 0.00 C ATOM 1025 O ALA A 69 -1.202 -14.417 2.884 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.365 -17.304 4.621 1.00 0.00 C ATOM 0 H ALA A 69 0.120 -16.442 6.386 1.00 0.00 H new ATOM 0 HA ALA A 69 0.229 -16.351 3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.971 -17.469 3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.774 -18.196 4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.017 -17.096 5.470 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.969 -14.341 4.998 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.783 -13.152 4.776 1.00 0.00 C ATOM 1034 C ASN A 70 -1.916 -11.970 4.351 1.00 0.00 C ATOM 1035 O ASN A 70 -2.222 -11.280 3.377 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.562 -12.797 6.044 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.289 -13.992 6.628 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.366 -15.052 6.006 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.829 -13.826 7.831 1.00 0.00 N ATOM 0 H ASN A 70 -2.012 -14.711 5.948 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.488 -13.370 3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.875 -12.393 6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.283 -12.012 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.332 -14.595 8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.741 -12.930 8.310 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.833 -11.744 5.086 1.00 0.00 N ATOM 1047 CA LEU A 71 0.079 -10.646 4.785 1.00 0.00 C ATOM 1048 C LEU A 71 0.420 -10.612 3.300 1.00 0.00 C ATOM 1049 O LEU A 71 0.507 -9.543 2.696 1.00 0.00 O ATOM 1050 CB LEU A 71 1.359 -10.781 5.612 1.00 0.00 C ATOM 1051 CG LEU A 71 1.175 -10.862 7.128 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.458 -11.331 7.796 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.741 -9.515 7.685 1.00 0.00 C ATOM 0 H LEU A 71 -0.565 -12.306 5.894 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.418 -9.711 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.888 -11.675 5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.003 -9.930 5.389 1.00 0.00 H new ATOM 0 HG LEU A 71 0.392 -11.589 7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.309 -11.383 8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.725 -12.318 7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.261 -10.629 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.615 -9.591 8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.501 -8.767 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.204 -9.220 7.229 1.00 0.00 H new ATOM 1065 N ASP A 72 0.610 -11.791 2.715 1.00 0.00 N ATOM 1066 CA ASP A 72 0.938 -11.896 1.297 1.00 0.00 C ATOM 1067 C ASP A 72 -0.147 -11.253 0.439 1.00 0.00 C ATOM 1068 O ASP A 72 0.117 -10.311 -0.308 1.00 0.00 O ATOM 1069 CB ASP A 72 1.116 -13.363 0.902 1.00 0.00 C ATOM 1070 CG ASP A 72 2.547 -13.837 1.065 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.376 -13.531 0.183 1.00 0.00 O ATOM 1072 OD2 ASP A 72 2.837 -14.514 2.073 1.00 0.00 O ATOM 0 H ASP A 72 0.543 -12.686 3.200 1.00 0.00 H new ATOM 0 HA ASP A 72 1.874 -11.364 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.459 -13.983 1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.808 -13.497 -0.135 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.367 -11.770 0.550 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.490 -11.248 -0.218 1.00 0.00 C ATOM 1079 C ARG A 73 -2.633 -9.742 -0.018 1.00 0.00 C ATOM 1080 O ARG A 73 -2.627 -8.974 -0.979 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.785 -11.952 0.191 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.580 -13.385 0.653 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.794 -14.249 0.348 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.732 -14.827 -0.991 1.00 0.00 N ATOM 1085 CZ ARG A 73 -3.875 -15.780 -1.341 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -3.014 -16.260 -0.455 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -3.881 -16.256 -2.580 1.00 0.00 N ATOM 0 H ARG A 73 -1.602 -12.550 1.164 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.297 -11.440 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.259 -11.385 0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.474 -11.947 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.702 -13.804 0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.383 -13.398 1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.864 -15.049 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.699 -13.649 0.442 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.382 -14.480 -1.696 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.008 -15.898 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.357 -16.992 -0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.544 -15.890 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.223 -16.988 -2.848 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.760 -9.326 1.239 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.902 -7.914 1.565 1.00 0.00 C ATOM 1103 C ALA A 74 -1.757 -7.096 0.977 1.00 0.00 C ATOM 1104 O ALA A 74 -1.972 -6.214 0.144 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.967 -7.724 3.074 1.00 0.00 C ATOM 0 H ALA A 74 -2.767 -9.948 2.047 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.833 -7.557 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.073 -6.664 3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.823 -8.269 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.052 -8.103 3.528 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.538 -7.393 1.415 1.00 0.00 N ATOM 1112 CA LYS A 75 0.642 -6.686 0.933 1.00 0.00 C ATOM 1113 C LYS A 75 0.620 -6.564 -0.588 1.00 0.00 C ATOM 1114 O LYS A 75 0.935 -5.511 -1.140 1.00 0.00 O ATOM 1115 CB LYS A 75 1.915 -7.412 1.377 1.00 0.00 C ATOM 1116 CG LYS A 75 3.168 -6.562 1.272 1.00 0.00 C ATOM 1117 CD LYS A 75 4.421 -7.383 1.524 1.00 0.00 C ATOM 1118 CE LYS A 75 5.677 -6.622 1.126 1.00 0.00 C ATOM 1119 NZ LYS A 75 6.041 -5.586 2.132 1.00 0.00 N ATOM 0 H LYS A 75 -0.342 -8.119 2.104 1.00 0.00 H new ATOM 0 HA LYS A 75 0.634 -5.684 1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.794 -7.740 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.042 -8.308 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.221 -6.111 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.116 -5.745 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.476 -7.650 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.366 -8.315 0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.504 -7.322 1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.523 -6.148 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.075 -5.477 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.604 -4.679 1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.699 -5.877 3.070 1.00 0.00 H new ATOM 1133 N ALA A 76 0.243 -7.648 -1.258 1.00 0.00 N ATOM 1134 CA ALA A 76 0.176 -7.661 -2.714 1.00 0.00 C ATOM 1135 C ALA A 76 -0.802 -6.609 -3.228 1.00 0.00 C ATOM 1136 O ALA A 76 -0.539 -5.936 -4.224 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.224 -9.043 -3.212 1.00 0.00 C ATOM 0 H ALA A 76 -0.021 -8.528 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 76 1.166 -7.419 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.270 -9.038 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.513 -9.776 -2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.202 -9.306 -2.809 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.933 -6.473 -2.541 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.933 -5.502 -2.944 1.00 0.00 C ATOM 1145 C GLY A 77 -2.437 -4.075 -2.822 1.00 0.00 C ATOM 1146 O GLY A 77 -2.611 -3.268 -3.737 1.00 0.00 O ATOM 0 H GLY A 77 -2.174 -7.018 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.227 -5.694 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.825 -5.627 -2.330 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.820 -3.759 -1.689 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.298 -2.419 -1.449 1.00 0.00 C ATOM 1152 C LEU A 78 -0.230 -2.058 -2.477 1.00 0.00 C ATOM 1153 O LEU A 78 -0.338 -1.045 -3.169 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.717 -2.320 -0.037 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.537 -0.908 0.518 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.887 -0.275 0.817 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.330 -0.932 1.768 1.00 0.00 C ATOM 0 H LEU A 78 -1.669 -4.414 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.123 -1.713 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.366 -2.875 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.253 -2.818 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.034 -0.304 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.738 0.730 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.475 -0.222 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.417 -0.879 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.447 0.082 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.145 -1.553 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.309 -1.343 1.524 1.00 0.00 H new ATOM 1169 N LEU A 79 0.797 -2.893 -2.572 1.00 0.00 N ATOM 1170 CA LEU A 79 1.885 -2.663 -3.518 1.00 0.00 C ATOM 1171 C LEU A 79 1.346 -2.178 -4.860 1.00 0.00 C ATOM 1172 O LEU A 79 1.794 -1.161 -5.387 1.00 0.00 O ATOM 1173 CB LEU A 79 2.695 -3.946 -3.714 1.00 0.00 C ATOM 1174 CG LEU A 79 3.602 -4.352 -2.552 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.103 -5.776 -2.739 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.771 -3.385 -2.427 1.00 0.00 C ATOM 0 H LEU A 79 0.901 -3.736 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 79 2.534 -1.890 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.001 -4.763 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.311 -3.830 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 79 3.022 -4.311 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.747 -6.048 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.254 -6.458 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.668 -5.844 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.407 -3.688 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.351 -3.395 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.393 -2.379 -2.247 1.00 0.00 H new ATOM 1188 N GLU A 80 0.380 -2.911 -5.404 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.220 -2.554 -6.684 1.00 0.00 C ATOM 1190 C GLU A 80 -0.953 -1.219 -6.587 1.00 0.00 C ATOM 1191 O GLU A 80 -0.869 -0.386 -7.489 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.187 -3.647 -7.142 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.507 -4.970 -7.455 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.452 -5.978 -8.079 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.304 -5.568 -8.894 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -1.338 -7.178 -7.751 1.00 0.00 O ATOM 0 H GLU A 80 -0.004 -3.755 -4.979 1.00 0.00 H new ATOM 0 HA GLU A 80 0.581 -2.457 -7.417 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.935 -3.807 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.718 -3.302 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.329 -4.793 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.091 -5.387 -6.538 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.672 -1.025 -5.487 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.422 0.208 -5.271 1.00 0.00 C ATOM 1205 C ARG A 81 -1.490 1.416 -5.263 1.00 0.00 C ATOM 1206 O ARG A 81 -1.838 2.485 -5.766 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.194 0.136 -3.952 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.479 0.947 -3.955 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.622 0.178 -4.598 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.868 0.939 -4.588 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.927 0.624 -5.326 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.891 -0.431 -6.127 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -9.025 1.366 -5.263 1.00 0.00 N ATOM 0 H ARG A 81 -1.752 -1.705 -4.731 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.130 0.322 -6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.432 -0.906 -3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.552 0.490 -3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.747 1.210 -2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.320 1.881 -4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.358 -0.072 -5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.768 -0.764 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.929 1.757 -3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.049 -1.004 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.706 -0.670 -6.692 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.057 2.179 -4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.838 1.124 -5.830 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.305 1.240 -4.687 1.00 0.00 N ATOM 1228 CA VAL A 82 0.677 2.315 -4.615 1.00 0.00 C ATOM 1229 C VAL A 82 1.302 2.582 -5.978 1.00 0.00 C ATOM 1230 O VAL A 82 1.536 3.731 -6.353 1.00 0.00 O ATOM 1231 CB VAL A 82 1.794 1.988 -3.604 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.922 3.002 -3.710 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.235 1.945 -2.189 1.00 0.00 C ATOM 0 H VAL A 82 -0.002 0.363 -4.263 1.00 0.00 H new ATOM 0 HA VAL A 82 0.146 3.207 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 82 2.199 1.004 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.702 2.756 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.338 2.979 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.536 3.999 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.037 1.713 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.803 2.914 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.464 1.177 -2.126 1.00 0.00 H new ATOM 1243 N LYS A 83 1.573 1.512 -6.719 1.00 0.00 N ATOM 1244 CA LYS A 83 2.170 1.629 -8.043 1.00 0.00 C ATOM 1245 C LYS A 83 1.191 2.259 -9.028 1.00 0.00 C ATOM 1246 O LYS A 83 1.588 3.023 -9.907 1.00 0.00 O ATOM 1247 CB LYS A 83 2.606 0.252 -8.552 1.00 0.00 C ATOM 1248 CG LYS A 83 3.821 -0.306 -7.830 1.00 0.00 C ATOM 1249 CD LYS A 83 4.089 -1.749 -8.223 1.00 0.00 C ATOM 1250 CE LYS A 83 5.000 -2.440 -7.221 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.053 -3.911 -7.441 1.00 0.00 N ATOM 0 H LYS A 83 1.388 0.553 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 83 3.045 2.275 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.776 -0.446 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.826 0.321 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.695 0.303 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.666 -0.244 -6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.145 -2.290 -8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.546 -1.779 -9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.005 -2.025 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.648 -2.237 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.684 -4.345 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.098 -4.311 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.413 -4.106 -8.397 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.088 1.935 -8.873 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.123 2.471 -9.750 1.00 0.00 C ATOM 1267 C GLU A 84 -1.523 3.879 -9.322 1.00 0.00 C ATOM 1268 O GLU A 84 -1.725 4.761 -10.158 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.351 1.557 -9.745 1.00 0.00 C ATOM 1270 CG GLU A 84 -2.297 0.460 -10.795 1.00 0.00 C ATOM 1271 CD GLU A 84 -2.807 0.920 -12.147 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -2.035 1.574 -12.879 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -3.976 0.627 -12.472 1.00 0.00 O ATOM 0 H GLU A 84 -0.433 1.305 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.718 2.518 -10.761 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.450 1.101 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.244 2.161 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.269 0.111 -10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.890 -0.390 -10.457 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.634 4.085 -8.014 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.009 5.387 -7.473 1.00 0.00 C ATOM 1282 C LEU A 85 -1.002 6.456 -7.879 1.00 0.00 C ATOM 1283 O LEU A 85 -1.362 7.460 -8.494 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.110 5.317 -5.948 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.394 4.703 -5.387 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.212 4.333 -3.924 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.562 5.663 -5.556 1.00 0.00 C ATOM 0 H LEU A 85 -1.470 3.367 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.982 5.657 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.263 4.742 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.010 6.327 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.615 3.793 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.135 3.898 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.403 3.609 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.967 5.227 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.467 5.210 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.351 6.590 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.706 5.878 -6.615 1.00 0.00 H new