USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -60:sc= 0.384 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 170:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -170:sc= 0 (180deg=-0.0968) USER MOD Single : B 8 SER OG : rot 161:sc= 0.0146 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -6.287 -15.192 -2.926 1.00 0.00 N ATOM 70 CA GLU A 6 -6.969 -14.243 -3.942 1.00 0.00 C ATOM 71 C GLU A 6 -6.388 -12.772 -3.909 1.00 0.00 C ATOM 72 O GLU A 6 -6.405 -12.101 -2.841 1.00 0.00 O ATOM 73 CB GLU A 6 -8.626 -14.313 -3.973 1.00 0.00 C ATOM 74 CG GLU A 6 -9.461 -14.044 -2.628 1.00 0.00 C ATOM 75 CD GLU A 6 -10.995 -14.079 -2.812 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.600 -15.173 -2.656 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.594 -13.004 -3.084 1.00 0.00 O ATOM 0 HA GLU A 6 -6.687 -14.649 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.968 -13.594 -4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.903 -15.303 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.179 -14.790 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.177 -13.071 -2.227 1.00 0.00 H new ATOM 84 N TYR A 7 -5.872 -12.315 -5.132 1.00 0.00 N ATOM 85 CA TYR A 7 -5.197 -10.948 -5.384 1.00 0.00 C ATOM 86 C TYR A 7 -6.124 -9.923 -6.159 1.00 0.00 C ATOM 87 O TYR A 7 -6.947 -10.332 -7.049 1.00 0.00 O ATOM 88 CB TYR A 7 -3.796 -11.135 -6.169 1.00 0.00 C ATOM 89 CG TYR A 7 -2.637 -11.989 -5.509 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.584 -13.395 -5.637 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.597 -11.369 -4.828 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.558 -14.129 -5.094 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.543 -12.108 -4.283 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.535 -13.487 -4.417 1.00 0.00 C ATOM 95 OH TYR A 7 0.501 -14.221 -3.884 1.00 0.00 O ATOM 0 H TYR A 7 -5.912 -12.887 -5.976 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.009 -10.519 -4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.022 -11.584 -7.136 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.397 -10.140 -6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.369 -13.905 -6.175 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.603 -10.295 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.549 -15.204 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.259 -11.608 -3.761 1.00 0.00 H new ATOM 0 HH TYR A 7 1.136 -13.619 -3.443 1.00 0.00 H new ATOM 105 N GLU A 8 -5.963 -8.558 -5.770 1.00 0.00 N ATOM 106 CA GLU A 8 -6.738 -7.354 -6.362 1.00 0.00 C ATOM 107 C GLU A 8 -5.816 -6.231 -6.957 1.00 0.00 C ATOM 108 O GLU A 8 -4.808 -5.814 -6.314 1.00 0.00 O ATOM 109 CB GLU A 8 -7.807 -6.730 -5.351 1.00 0.00 C ATOM 110 CG GLU A 8 -9.269 -7.201 -5.554 1.00 0.00 C ATOM 111 CD GLU A 8 -10.303 -6.542 -4.602 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.876 -5.480 -4.972 1.00 0.00 O ATOM 113 OE2 GLU A 8 -10.563 -7.109 -3.505 1.00 0.00 O ATOM 0 H GLU A 8 -5.300 -8.278 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.288 -7.786 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.503 -6.973 -4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.777 -5.644 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.562 -6.996 -6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.310 -8.282 -5.420 1.00 0.00 H new ATOM 120 N GLU A 9 -6.189 -5.779 -8.258 1.00 0.00 N ATOM 121 CA GLU A 9 -5.566 -4.603 -9.006 1.00 0.00 C ATOM 122 C GLU A 9 -6.561 -3.360 -9.093 1.00 0.00 C ATOM 123 O GLU A 9 -7.626 -3.426 -9.805 1.00 0.00 O ATOM 124 CB GLU A 9 -4.845 -5.015 -10.419 1.00 0.00 C ATOM 125 CG GLU A 9 -5.688 -5.740 -11.587 1.00 0.00 C ATOM 126 CD GLU A 9 -4.867 -6.075 -12.851 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.299 -7.198 -12.922 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.816 -5.226 -13.781 1.00 0.00 O ATOM 0 H GLU A 9 -6.928 -6.234 -8.794 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.727 -4.260 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.425 -4.103 -10.844 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.007 -5.668 -10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.116 -6.661 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.522 -5.097 -11.870 1.00 0.00 H new ATOM 135 N ILE A 10 -6.196 -2.259 -8.295 1.00 0.00 N ATOM 136 CA ILE A 10 -7.034 -0.952 -8.148 1.00 0.00 C ATOM 137 C ILE A 10 -6.225 0.337 -8.779 1.00 0.00 C ATOM 138 O ILE A 10 -4.981 0.437 -8.646 1.00 0.00 O ATOM 139 CB ILE A 10 -7.551 -0.709 -6.526 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.320 -2.009 -5.914 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.542 0.559 -6.364 1.00 0.00 C ATOM 142 CD1 ILE A 10 -8.071 -2.307 -4.397 1.00 0.00 C ATOM 0 H ILE A 10 -5.336 -2.244 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.948 -1.059 -8.733 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.628 -0.526 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.391 -1.877 -6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.022 -2.886 -6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.834 0.661 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.030 1.465 -6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.431 0.406 -6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.633 -3.193 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.008 -2.480 -4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.398 -1.455 -3.800 1.00 0.00 H new ATOM 154 N THR A 11 -7.049 1.286 -9.459 1.00 0.00 N ATOM 155 CA THR A 11 -6.615 2.659 -10.033 1.00 0.00 C ATOM 156 C THR A 11 -7.265 3.897 -9.301 1.00 0.00 C ATOM 157 O THR A 11 -8.527 3.979 -9.139 1.00 0.00 O ATOM 158 CB THR A 11 -6.733 2.834 -11.636 1.00 0.00 C ATOM 159 OG1 THR A 11 -7.791 2.057 -12.235 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.392 2.634 -12.353 1.00 0.00 C ATOM 0 H THR A 11 -8.040 1.105 -9.619 1.00 0.00 H new ATOM 0 HA THR A 11 -5.547 2.649 -9.813 1.00 0.00 H new ATOM 0 HB THR A 11 -7.020 3.875 -11.782 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.804 2.213 -13.202 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.531 2.763 -13.426 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.672 3.367 -11.989 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.019 1.629 -12.154 1.00 0.00 H new ATOM 168 N LEU A 12 -6.318 4.840 -8.832 1.00 0.00 N ATOM 169 CA LEU A 12 -6.602 6.179 -8.140 1.00 0.00 C ATOM 170 C LEU A 12 -5.927 7.418 -8.863 1.00 0.00 C ATOM 171 O LEU A 12 -4.838 7.287 -9.495 1.00 0.00 O ATOM 172 CB LEU A 12 -6.183 6.156 -6.530 1.00 0.00 C ATOM 173 CG LEU A 12 -7.052 5.411 -5.367 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.534 5.846 -5.222 1.00 0.00 C ATOM 175 CD2 LEU A 12 -6.896 3.886 -5.330 1.00 0.00 C ATOM 0 H LEU A 12 -5.317 4.673 -8.934 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.681 6.311 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.182 5.727 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.097 7.199 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.568 5.799 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.002 5.279 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.580 6.910 -4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.062 5.654 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.509 3.477 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.217 3.464 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.851 3.631 -5.154 1.00 0.00 H new ATOM 284 N GLY A 20 -6.610 9.729 0.588 1.00 0.00 N ATOM 285 CA GLY A 20 -7.223 9.351 1.906 1.00 0.00 C ATOM 286 C GLY A 20 -6.819 8.006 2.536 1.00 0.00 C ATOM 287 O GLY A 20 -7.707 7.171 2.834 1.00 0.00 O ATOM 0 HA2 GLY A 20 -6.986 10.138 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.306 9.349 1.781 1.00 0.00 H new ATOM 291 N PHE A 21 -5.416 7.816 2.726 1.00 0.00 N ATOM 292 CA PHE A 21 -4.694 6.709 3.523 1.00 0.00 C ATOM 293 C PHE A 21 -3.168 7.186 3.849 1.00 0.00 C ATOM 294 O PHE A 21 -2.711 8.243 3.294 1.00 0.00 O ATOM 295 CB PHE A 21 -4.771 5.209 2.768 1.00 0.00 C ATOM 296 CG PHE A 21 -4.005 4.936 1.387 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.402 5.539 0.172 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.918 4.062 1.355 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.740 5.281 -1.008 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.251 3.799 0.165 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.662 4.409 -1.013 1.00 0.00 C ATOM 0 H PHE A 21 -4.747 8.462 2.306 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.215 6.564 4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.408 4.473 3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.825 4.993 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.243 6.217 0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.591 3.584 2.267 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.059 5.755 -1.924 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.412 3.119 0.156 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.140 4.203 -1.936 1.00 0.00 H new ATOM 311 N SER A 22 -2.395 6.408 4.794 1.00 0.00 N ATOM 312 CA SER A 22 -0.889 6.560 5.052 1.00 0.00 C ATOM 313 C SER A 22 -0.182 5.142 5.113 1.00 0.00 C ATOM 314 O SER A 22 -0.797 4.143 5.634 1.00 0.00 O ATOM 315 CB SER A 22 -0.563 7.432 6.320 1.00 0.00 C ATOM 316 OG SER A 22 -0.994 8.782 6.189 1.00 0.00 O ATOM 0 H SER A 22 -2.820 5.681 5.370 1.00 0.00 H new ATOM 0 HA SER A 22 -0.479 7.110 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.040 6.987 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.512 7.415 6.500 1.00 0.00 H new ATOM 0 HG SER A 22 -0.552 9.193 5.417 1.00 0.00 H new ATOM 322 N ILE A 23 1.158 5.058 4.579 1.00 0.00 N ATOM 323 CA ILE A 23 1.987 3.727 4.420 1.00 0.00 C ATOM 324 C ILE A 23 3.366 3.566 5.140 1.00 0.00 C ATOM 325 O ILE A 23 4.264 4.430 5.026 1.00 0.00 O ATOM 326 CB ILE A 23 1.945 2.983 2.959 1.00 0.00 C ATOM 327 CG1 ILE A 23 2.037 3.886 1.603 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.710 2.147 2.952 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.393 4.556 1.188 1.00 0.00 C ATOM 0 H ILE A 23 1.669 5.882 4.261 1.00 0.00 H new ATOM 0 HA ILE A 23 1.331 3.155 5.075 1.00 0.00 H new ATOM 0 HB ILE A 23 2.878 2.424 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.722 3.254 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.299 4.682 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.629 1.625 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.759 1.418 3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.162 2.785 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.255 5.113 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.719 5.236 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.149 3.785 1.038 1.00 0.00 H new ATOM 341 N ALA A 24 3.484 2.337 5.890 1.00 0.00 N ATOM 342 CA ALA A 24 4.694 1.903 6.706 1.00 0.00 C ATOM 343 C ALA A 24 5.561 0.823 5.944 1.00 0.00 C ATOM 344 O ALA A 24 5.054 -0.294 5.594 1.00 0.00 O ATOM 345 CB ALA A 24 4.262 1.416 8.129 1.00 0.00 C ATOM 0 H ALA A 24 2.729 1.652 5.921 1.00 0.00 H new ATOM 0 HA ALA A 24 5.335 2.774 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.144 1.111 8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.758 2.228 8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.582 0.569 8.033 1.00 0.00 H new ATOM 351 N GLY A 25 6.871 1.222 5.682 1.00 0.00 N ATOM 352 CA GLY A 25 7.892 0.403 4.935 1.00 0.00 C ATOM 353 C GLY A 25 9.352 0.724 5.283 1.00 0.00 C ATOM 354 O GLY A 25 9.631 1.802 5.914 1.00 0.00 O ATOM 0 H GLY A 25 7.236 2.124 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.709 -0.652 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.746 0.554 3.865 1.00 0.00 H new ATOM 358 N GLY A 26 10.293 -0.261 4.908 1.00 0.00 N ATOM 359 CA GLY A 26 11.762 -0.098 5.214 1.00 0.00 C ATOM 360 C GLY A 26 12.720 -1.235 4.877 1.00 0.00 C ATOM 361 O GLY A 26 12.430 -2.415 5.191 1.00 0.00 O ATOM 0 H GLY A 26 10.054 -1.124 4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.110 0.792 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.855 0.105 6.281 1.00 0.00 H new ATOM 365 N THR A 27 13.886 -0.840 4.189 1.00 0.00 N ATOM 366 CA THR A 27 15.197 -1.681 4.093 1.00 0.00 C ATOM 367 C THR A 27 16.303 -1.245 5.154 1.00 0.00 C ATOM 368 O THR A 27 17.055 -2.140 5.664 1.00 0.00 O ATOM 369 CB THR A 27 15.843 -1.898 2.635 1.00 0.00 C ATOM 370 OG1 THR A 27 15.860 -0.706 1.829 1.00 0.00 O ATOM 371 CG2 THR A 27 15.228 -3.097 1.884 1.00 0.00 C ATOM 0 H THR A 27 13.950 0.049 3.694 1.00 0.00 H new ATOM 0 HA THR A 27 14.824 -2.671 4.354 1.00 0.00 H new ATOM 0 HB THR A 27 16.888 -2.145 2.822 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.265 -0.905 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.701 -3.196 0.907 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.390 -4.008 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.158 -2.935 1.754 1.00 0.00 H new ATOM 379 N ASP A 28 16.357 0.158 5.497 1.00 0.00 N ATOM 380 CA ASP A 28 17.262 0.749 6.589 1.00 0.00 C ATOM 381 C ASP A 28 16.492 1.349 7.869 1.00 0.00 C ATOM 382 O ASP A 28 17.050 1.301 9.013 1.00 0.00 O ATOM 383 CB ASP A 28 18.522 1.659 6.072 1.00 0.00 C ATOM 384 CG ASP A 28 18.267 2.859 5.118 1.00 0.00 C ATOM 385 OD1 ASP A 28 17.816 3.928 5.598 1.00 0.00 O ATOM 386 OD2 ASP A 28 18.539 2.715 3.908 1.00 0.00 O ATOM 0 H ASP A 28 15.786 0.860 5.027 1.00 0.00 H new ATOM 0 HA ASP A 28 17.753 -0.147 6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 28 19.027 2.048 6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 28 19.223 0.990 5.573 1.00 0.00 H new ATOM 391 N ASN A 29 15.173 1.864 7.637 1.00 0.00 N ATOM 392 CA ASN A 29 14.244 2.490 8.676 1.00 0.00 C ATOM 393 C ASN A 29 13.081 1.454 9.217 1.00 0.00 C ATOM 394 O ASN A 29 12.218 1.038 8.385 1.00 0.00 O ATOM 395 CB ASN A 29 13.650 3.919 8.205 1.00 0.00 C ATOM 396 CG ASN A 29 14.674 5.098 8.213 1.00 0.00 C ATOM 397 OD1 ASN A 29 15.370 5.341 7.219 1.00 0.00 O ATOM 398 ND2 ASN A 29 14.732 5.845 9.325 1.00 0.00 N ATOM 0 H ASN A 29 14.750 1.842 6.709 1.00 0.00 H new ATOM 0 HA ASN A 29 14.870 2.699 9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.249 3.814 7.197 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.815 4.180 8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.365 6.644 9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.143 5.615 10.125 1.00 0.00 H new ATOM 501 N SER A 37 9.193 -5.867 4.556 1.00 0.00 N ATOM 502 CA SER A 37 7.909 -5.702 3.697 1.00 0.00 C ATOM 503 C SER A 37 7.050 -4.393 4.059 1.00 0.00 C ATOM 504 O SER A 37 7.088 -3.914 5.237 1.00 0.00 O ATOM 505 CB SER A 37 7.022 -7.016 3.788 1.00 0.00 C ATOM 506 OG SER A 37 7.676 -8.146 3.213 1.00 0.00 O ATOM 0 HA SER A 37 8.237 -5.555 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.790 -7.225 4.832 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.073 -6.848 3.278 1.00 0.00 H new ATOM 0 HG SER A 37 7.098 -8.933 3.291 1.00 0.00 H new ATOM 512 N ILE A 38 6.279 -3.818 2.983 1.00 0.00 N ATOM 513 CA ILE A 38 5.416 -2.542 3.082 1.00 0.00 C ATOM 514 C ILE A 38 3.849 -2.953 3.339 1.00 0.00 C ATOM 515 O ILE A 38 3.236 -3.686 2.513 1.00 0.00 O ATOM 516 CB ILE A 38 5.635 -1.443 1.753 1.00 0.00 C ATOM 517 CG1 ILE A 38 7.142 -1.336 0.973 1.00 0.00 C ATOM 518 CG2 ILE A 38 5.092 0.020 2.011 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.526 -1.485 1.731 1.00 0.00 C ATOM 0 H ILE A 38 6.255 -4.236 2.053 1.00 0.00 H new ATOM 0 HA ILE A 38 5.763 -1.971 3.944 1.00 0.00 H new ATOM 0 HB ILE A 38 5.005 -1.981 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.137 -2.093 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.165 -0.365 0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.271 0.635 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.022 -0.020 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.608 0.454 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.344 -1.379 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.607 -0.712 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.580 -2.467 2.201 1.00 0.00 H new ATOM 531 N PHE A 39 3.277 -2.429 4.539 1.00 0.00 N ATOM 532 CA PHE A 39 1.859 -2.692 5.098 1.00 0.00 C ATOM 533 C PHE A 39 1.063 -1.320 5.375 1.00 0.00 C ATOM 534 O PHE A 39 1.712 -0.199 5.536 1.00 0.00 O ATOM 535 CB PHE A 39 1.886 -3.549 6.518 1.00 0.00 C ATOM 536 CG PHE A 39 2.535 -4.994 6.646 1.00 0.00 C ATOM 537 CD1 PHE A 39 2.091 -6.120 5.914 1.00 0.00 C ATOM 538 CD2 PHE A 39 3.551 -5.197 7.573 1.00 0.00 C ATOM 539 CE1 PHE A 39 2.668 -7.373 6.112 1.00 0.00 C ATOM 540 CE2 PHE A 39 4.117 -6.445 7.782 1.00 0.00 C ATOM 541 CZ PHE A 39 3.679 -7.532 7.048 1.00 0.00 C ATOM 0 H PHE A 39 3.809 -1.804 5.144 1.00 0.00 H new ATOM 0 HA PHE A 39 1.353 -3.275 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.390 -2.918 7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.849 -3.646 6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.295 -6.007 5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.910 -4.356 8.148 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.328 -8.221 5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.899 -6.568 8.517 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.124 -8.504 7.203 1.00 0.00 H new ATOM 551 N ILE A 40 -0.392 -1.427 5.436 1.00 0.00 N ATOM 552 CA ILE A 40 -1.367 -0.312 5.851 1.00 0.00 C ATOM 553 C ILE A 40 -1.583 -0.355 7.445 1.00 0.00 C ATOM 554 O ILE A 40 -1.665 -1.458 8.078 1.00 0.00 O ATOM 555 CB ILE A 40 -2.880 -0.361 5.070 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.962 -1.068 3.577 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.651 1.043 5.069 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.118 -0.487 2.416 1.00 0.00 C ATOM 0 H ILE A 40 -0.875 -2.292 5.195 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.902 0.622 5.537 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.403 -1.061 5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.681 -2.115 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.006 -1.051 3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.606 0.934 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.827 1.362 6.096 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.046 1.790 4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.292 -1.070 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.406 0.549 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.061 -0.530 2.678 1.00 0.00 H new ATOM 570 N THR A 41 -1.698 0.904 8.008 1.00 0.00 N ATOM 571 CA THR A 41 -1.855 1.259 9.518 1.00 0.00 C ATOM 572 C THR A 41 -2.770 2.518 9.784 1.00 0.00 C ATOM 573 O THR A 41 -3.414 2.575 10.888 1.00 0.00 O ATOM 574 CB THR A 41 -0.478 1.326 10.407 1.00 0.00 C ATOM 575 OG1 THR A 41 0.595 1.927 9.695 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.034 -0.042 10.952 1.00 0.00 C ATOM 0 H THR A 41 -1.686 1.741 7.425 1.00 0.00 H new ATOM 0 HA THR A 41 -2.376 0.377 9.891 1.00 0.00 H new ATOM 0 HB THR A 41 -0.731 1.955 11.261 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.394 1.947 10.263 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.883 0.077 11.530 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.816 -0.450 11.592 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.147 -0.724 10.121 1.00 0.00 H new ATOM 584 N LYS A 42 -2.876 3.532 8.728 1.00 0.00 N ATOM 585 CA LYS A 42 -3.747 4.768 8.838 1.00 0.00 C ATOM 586 C LYS A 42 -4.730 4.882 7.588 1.00 0.00 C ATOM 587 O LYS A 42 -4.299 4.737 6.396 1.00 0.00 O ATOM 588 CB LYS A 42 -2.817 6.095 9.075 1.00 0.00 C ATOM 589 CG LYS A 42 -3.401 7.360 9.828 1.00 0.00 C ATOM 590 CD LYS A 42 -4.170 8.378 8.905 1.00 0.00 C ATOM 591 CE LYS A 42 -4.596 9.660 9.637 1.00 0.00 C ATOM 592 NZ LYS A 42 -5.809 9.513 10.546 1.00 0.00 N ATOM 0 H LYS A 42 -2.367 3.470 7.846 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.393 4.686 9.712 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.932 5.774 9.624 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.480 6.431 8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.077 7.019 10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.581 7.884 10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.534 8.644 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.055 7.890 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.756 10.016 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.809 10.430 8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.019 10.427 10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.629 9.206 9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.608 8.805 11.281 1.00 0.00 H new ATOM 606 N ILE A 43 -6.079 5.094 7.944 1.00 0.00 N ATOM 607 CA ILE A 43 -7.242 5.360 7.008 1.00 0.00 C ATOM 608 C ILE A 43 -7.965 6.729 7.454 1.00 0.00 C ATOM 609 O ILE A 43 -8.288 6.918 8.672 1.00 0.00 O ATOM 610 CB ILE A 43 -8.315 3.982 6.862 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.633 2.609 6.221 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.788 4.220 6.245 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.948 2.652 4.780 1.00 0.00 C ATOM 0 H ILE A 43 -6.375 5.080 8.920 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.873 5.500 5.992 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.486 3.815 7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.879 2.262 6.927 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.412 1.847 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.329 3.274 6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.331 4.933 6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.699 4.614 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.560 1.664 4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.686 2.950 4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.129 3.372 4.788 1.00 0.00 H new ATOM 625 N ILE A 44 -8.206 7.652 6.401 1.00 0.00 N ATOM 626 CA ILE A 44 -9.033 8.951 6.505 1.00 0.00 C ATOM 627 C ILE A 44 -10.673 8.626 6.358 1.00 0.00 C ATOM 628 O ILE A 44 -11.042 7.904 5.393 1.00 0.00 O ATOM 629 CB ILE A 44 -8.431 10.200 5.465 1.00 0.00 C ATOM 630 CG1 ILE A 44 -7.003 10.780 5.867 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.355 11.447 5.196 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.782 9.973 5.473 1.00 0.00 C ATOM 0 H ILE A 44 -7.829 7.507 5.464 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.909 9.368 7.505 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.381 9.614 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.907 11.772 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.985 10.909 6.949 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.844 12.141 4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.285 11.117 4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.576 11.946 6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.882 10.487 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.832 8.987 5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.753 9.863 4.389 1.00 0.00 H new ATOM 644 N PRO A 45 -11.681 9.202 7.364 1.00 0.00 N ATOM 645 CA PRO A 45 -13.229 8.971 7.291 1.00 0.00 C ATOM 646 C PRO A 45 -14.031 9.620 6.016 1.00 0.00 C ATOM 647 O PRO A 45 -15.138 9.099 5.653 1.00 0.00 O ATOM 648 CB PRO A 45 -13.748 9.539 8.672 1.00 0.00 C ATOM 649 CG PRO A 45 -12.528 9.675 9.553 1.00 0.00 C ATOM 650 CD PRO A 45 -11.389 10.041 8.634 1.00 0.00 C ATOM 0 HA PRO A 45 -13.429 7.913 7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.241 10.502 8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.480 8.866 9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.679 10.443 10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.321 8.743 10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.373 11.109 8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.422 9.790 9.070 1.00 0.00 H new ATOM 658 N GLY A 46 -13.398 10.724 5.367 1.00 0.00 N ATOM 659 CA GLY A 46 -13.941 11.441 4.161 1.00 0.00 C ATOM 660 C GLY A 46 -12.927 11.668 2.998 1.00 0.00 C ATOM 661 O GLY A 46 -12.904 12.797 2.437 1.00 0.00 O ATOM 0 H GLY A 46 -12.510 11.109 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.788 10.874 3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.324 12.411 4.479 1.00 0.00 H new ATOM 665 N GLY A 47 -12.074 10.564 2.652 1.00 0.00 N ATOM 666 CA GLY A 47 -11.108 10.527 1.474 1.00 0.00 C ATOM 667 C GLY A 47 -11.639 9.783 0.192 1.00 0.00 C ATOM 668 O GLY A 47 -12.811 9.301 0.160 1.00 0.00 O ATOM 0 H GLY A 47 -12.061 9.701 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.855 11.551 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.185 10.046 1.797 1.00 0.00 H new ATOM 672 N ALA A 48 -10.713 9.714 -0.879 1.00 0.00 N ATOM 673 CA ALA A 48 -10.929 9.095 -2.273 1.00 0.00 C ATOM 674 C ALA A 48 -10.776 7.497 -2.358 1.00 0.00 C ATOM 675 O ALA A 48 -11.534 6.862 -3.119 1.00 0.00 O ATOM 676 CB ALA A 48 -10.042 9.828 -3.331 1.00 0.00 C ATOM 0 H ALA A 48 -9.774 10.101 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.982 9.257 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.203 9.382 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.312 10.884 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.992 9.730 -3.056 1.00 0.00 H new ATOM 682 N ALA A 49 -9.774 6.873 -1.524 1.00 0.00 N ATOM 683 CA ALA A 49 -9.466 5.357 -1.419 1.00 0.00 C ATOM 684 C ALA A 49 -10.444 4.496 -0.462 1.00 0.00 C ATOM 685 O ALA A 49 -10.636 3.247 -0.701 1.00 0.00 O ATOM 686 CB ALA A 49 -7.991 5.154 -1.060 1.00 0.00 C ATOM 0 H ALA A 49 -9.171 7.427 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.674 4.949 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.778 4.088 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.364 5.597 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.780 5.633 -0.104 1.00 0.00 H new ATOM 692 N ALA A 50 -11.093 5.224 0.606 1.00 0.00 N ATOM 693 CA ALA A 50 -12.095 4.676 1.627 1.00 0.00 C ATOM 694 C ALA A 50 -13.617 4.655 1.089 1.00 0.00 C ATOM 695 O ALA A 50 -14.334 3.638 1.311 1.00 0.00 O ATOM 696 CB ALA A 50 -11.964 5.462 2.983 1.00 0.00 C ATOM 0 H ALA A 50 -10.909 6.216 0.753 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.841 3.630 1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.680 5.066 3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.953 5.346 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.168 6.519 2.812 1.00 0.00 H new ATOM 702 N GLN A 51 -14.064 5.819 0.350 1.00 0.00 N ATOM 703 CA GLN A 51 -15.446 6.045 -0.285 1.00 0.00 C ATOM 704 C GLN A 51 -15.578 5.558 -1.815 1.00 0.00 C ATOM 705 O GLN A 51 -16.462 4.703 -2.096 1.00 0.00 O ATOM 706 CB GLN A 51 -15.960 7.564 -0.120 1.00 0.00 C ATOM 707 CG GLN A 51 -16.112 8.109 1.351 1.00 0.00 C ATOM 708 CD GLN A 51 -16.868 9.462 1.488 1.00 0.00 C ATOM 709 OE1 GLN A 51 -16.257 10.542 1.431 1.00 0.00 O ATOM 710 NE2 GLN A 51 -18.193 9.404 1.722 1.00 0.00 N ATOM 0 H GLN A 51 -13.444 6.614 0.196 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.104 5.393 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.269 8.216 -0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.927 7.651 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.634 7.359 1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.118 8.223 1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -18.665 8.501 1.763 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.725 10.264 1.859 1.00 0.00 H new ATOM 719 N ASP A 52 -14.651 6.118 -2.794 1.00 0.00 N ATOM 720 CA ASP A 52 -14.693 5.907 -4.315 1.00 0.00 C ATOM 721 C ASP A 52 -13.861 4.669 -4.921 1.00 0.00 C ATOM 722 O ASP A 52 -14.352 4.039 -5.912 1.00 0.00 O ATOM 723 CB ASP A 52 -14.350 7.267 -5.069 1.00 0.00 C ATOM 724 CG ASP A 52 -15.494 8.319 -5.129 1.00 0.00 C ATOM 725 OD1 ASP A 52 -16.285 8.290 -6.105 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.576 9.170 -4.209 1.00 0.00 O ATOM 0 H ASP A 52 -13.876 6.717 -2.511 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.723 5.605 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.489 7.723 -4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.049 7.028 -6.089 1.00 0.00 H new ATOM 731 N GLY A 53 -12.624 4.301 -4.275 1.00 0.00 N ATOM 732 CA GLY A 53 -11.633 3.232 -4.784 1.00 0.00 C ATOM 733 C GLY A 53 -11.917 1.744 -4.392 1.00 0.00 C ATOM 734 O GLY A 53 -11.878 0.863 -5.276 1.00 0.00 O ATOM 0 H GLY A 53 -12.315 4.741 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.600 3.294 -5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.639 3.493 -4.420 1.00 0.00 H new ATOM 738 N ARG A 54 -12.223 1.494 -3.014 1.00 0.00 N ATOM 739 CA ARG A 54 -12.528 0.143 -2.261 1.00 0.00 C ATOM 740 C ARG A 54 -11.264 -0.640 -1.676 1.00 0.00 C ATOM 741 O ARG A 54 -10.949 -1.838 -2.038 1.00 0.00 O ATOM 742 CB ARG A 54 -13.721 -0.792 -2.837 1.00 0.00 C ATOM 743 CG ARG A 54 -15.157 -0.268 -2.632 1.00 0.00 C ATOM 744 CD ARG A 54 -16.195 -1.243 -3.191 1.00 0.00 C ATOM 745 NE ARG A 54 -17.620 -0.749 -2.984 1.00 0.00 N ATOM 746 CZ ARG A 54 -18.856 -1.392 -3.270 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.968 -2.651 -3.805 1.00 0.00 N ATOM 748 NH2 ARG A 54 -19.976 -0.734 -2.999 1.00 0.00 N ATOM 0 H ARG A 54 -12.266 2.277 -2.362 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.005 0.545 -1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.558 -0.936 -3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.644 -1.773 -2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.340 -0.111 -1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.265 0.700 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.015 -1.391 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.075 -2.213 -2.709 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.701 0.184 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -18.129 -3.189 -4.024 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.890 -3.049 -3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.933 0.203 -2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.880 -1.165 -3.191 1.00 0.00 H new ATOM 762 N LEU A 55 -10.445 0.180 -0.861 1.00 0.00 N ATOM 763 CA LEU A 55 -9.290 -0.234 -0.009 1.00 0.00 C ATOM 764 C LEU A 55 -9.630 -0.090 1.557 1.00 0.00 C ATOM 765 O LEU A 55 -10.167 0.967 2.031 1.00 0.00 O ATOM 766 CB LEU A 55 -7.964 0.595 -0.499 1.00 0.00 C ATOM 767 CG LEU A 55 -6.598 0.540 0.287 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.501 -0.153 -0.496 1.00 0.00 C ATOM 769 CD2 LEU A 55 -6.215 1.941 0.634 1.00 0.00 C ATOM 0 H LEU A 55 -10.609 1.185 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.077 -1.295 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.752 0.272 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.253 1.645 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.730 -0.055 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.584 -0.162 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.802 -1.178 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.327 0.381 -1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.272 1.936 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.102 2.524 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.991 2.387 1.256 1.00 0.00 H new ATOM 781 N ARG A 56 -9.299 -1.228 2.290 1.00 0.00 N ATOM 782 CA ARG A 56 -9.301 -1.397 3.810 1.00 0.00 C ATOM 783 C ARG A 56 -7.803 -1.558 4.358 1.00 0.00 C ATOM 784 O ARG A 56 -6.879 -2.011 3.611 1.00 0.00 O ATOM 785 CB ARG A 56 -10.243 -2.622 4.295 1.00 0.00 C ATOM 786 CG ARG A 56 -11.749 -2.433 4.208 1.00 0.00 C ATOM 787 CD ARG A 56 -12.380 -3.684 4.728 1.00 0.00 C ATOM 788 NE ARG A 56 -13.899 -3.619 4.789 1.00 0.00 N ATOM 789 CZ ARG A 56 -14.841 -4.631 5.134 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.502 -5.916 5.480 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.129 -4.315 5.120 1.00 0.00 N ATOM 0 H ARG A 56 -9.012 -2.086 1.819 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.731 -0.491 4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.981 -3.500 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.993 -2.847 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.063 -1.570 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.055 -2.246 3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.085 -4.520 4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.993 -3.889 5.726 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.304 -2.715 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.522 -6.197 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.231 -6.590 5.716 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.420 -3.371 4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.829 -5.016 5.362 1.00 0.00 H new ATOM 805 N VAL A 57 -7.590 -1.205 5.711 1.00 0.00 N ATOM 806 CA VAL A 57 -6.273 -1.280 6.545 1.00 0.00 C ATOM 807 C VAL A 57 -5.565 -2.772 6.629 1.00 0.00 C ATOM 808 O VAL A 57 -4.319 -2.894 6.800 1.00 0.00 O ATOM 809 CB VAL A 57 -6.547 -0.566 7.984 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.357 -1.244 9.100 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.504 0.372 8.451 1.00 0.00 C ATOM 0 H VAL A 57 -8.360 -0.846 6.275 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.498 -0.727 6.014 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.380 0.023 7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.409 -0.583 9.965 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.365 -1.453 8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.872 -2.178 9.386 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.793 0.786 9.417 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.557 -0.158 8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.392 1.181 7.729 1.00 0.00 H new ATOM 821 N ASN A 58 -6.483 -3.819 6.512 1.00 0.00 N ATOM 822 CA ASN A 58 -6.232 -5.274 6.491 1.00 0.00 C ATOM 823 C ASN A 58 -6.031 -5.862 4.937 1.00 0.00 C ATOM 824 O ASN A 58 -5.930 -7.121 4.757 1.00 0.00 O ATOM 825 CB ASN A 58 -7.433 -5.934 7.349 1.00 0.00 C ATOM 826 CG ASN A 58 -7.187 -7.368 7.927 1.00 0.00 C ATOM 827 OD1 ASN A 58 -7.467 -8.375 7.269 1.00 0.00 O ATOM 828 ND2 ASN A 58 -6.689 -7.442 9.168 1.00 0.00 N ATOM 0 H ASN A 58 -7.480 -3.620 6.426 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.282 -5.545 6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.661 -5.268 8.181 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.321 -5.971 6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.529 -8.352 9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.470 -6.588 9.681 1.00 0.00 H new ATOM 835 N ASP A 59 -5.897 -4.881 3.828 1.00 0.00 N ATOM 836 CA ASP A 59 -5.693 -5.278 2.330 1.00 0.00 C ATOM 837 C ASP A 59 -4.185 -5.497 1.875 1.00 0.00 C ATOM 838 O ASP A 59 -3.916 -6.384 0.993 1.00 0.00 O ATOM 839 CB ASP A 59 -6.486 -4.348 1.313 1.00 0.00 C ATOM 840 CG ASP A 59 -7.934 -4.794 1.010 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.852 -4.425 1.768 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.135 -5.494 -0.011 1.00 0.00 O ATOM 0 H ASP A 59 -5.930 -3.872 3.977 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.144 -6.269 2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.511 -3.335 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.932 -4.306 0.375 1.00 0.00 H new ATOM 847 N SER A 60 -3.166 -4.648 2.507 1.00 0.00 N ATOM 848 CA SER A 60 -1.588 -4.669 2.334 1.00 0.00 C ATOM 849 C SER A 60 -1.027 -4.791 0.845 1.00 0.00 C ATOM 850 O SER A 60 -1.297 -5.820 0.136 1.00 0.00 O ATOM 851 CB SER A 60 -0.880 -5.683 3.331 1.00 0.00 C ATOM 852 OG SER A 60 -1.096 -5.324 4.692 1.00 0.00 O ATOM 0 H SER A 60 -3.447 -3.919 3.163 1.00 0.00 H new ATOM 0 HA SER A 60 -1.304 -3.656 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.260 -6.690 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.190 -5.706 3.127 1.00 0.00 H new ATOM 0 HG SER A 60 -0.788 -6.049 5.275 1.00 0.00 H new ATOM 858 N ILE A 61 -0.208 -3.727 0.401 1.00 0.00 N ATOM 859 CA ILE A 61 0.365 -3.592 -1.042 1.00 0.00 C ATOM 860 C ILE A 61 1.745 -4.434 -1.175 1.00 0.00 C ATOM 861 O ILE A 61 2.695 -4.250 -0.353 1.00 0.00 O ATOM 862 CB ILE A 61 0.556 -1.978 -1.603 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.701 -1.011 -1.214 1.00 0.00 C ATOM 864 CG2 ILE A 61 0.708 -1.960 -3.217 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.419 0.533 -1.050 1.00 0.00 C ATOM 0 H ILE A 61 0.068 -2.959 1.012 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.392 -4.016 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 61 1.452 -1.596 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.466 -1.132 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.126 -1.375 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.828 -0.932 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.582 -2.544 -3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.184 -2.392 -3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.345 1.047 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.314 0.687 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.031 0.933 -1.987 1.00 0.00 H new ATOM 877 N LEU A 62 1.766 -5.367 -2.258 1.00 0.00 N ATOM 878 CA LEU A 62 2.990 -6.137 -2.737 1.00 0.00 C ATOM 879 C LEU A 62 3.757 -5.368 -3.869 1.00 0.00 C ATOM 880 O LEU A 62 5.015 -5.246 -3.793 1.00 0.00 O ATOM 881 CB LEU A 62 2.694 -7.724 -3.107 1.00 0.00 C ATOM 882 CG LEU A 62 1.630 -8.174 -4.196 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.012 -9.524 -4.709 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.241 -8.295 -3.609 1.00 0.00 C ATOM 0 H LEU A 62 0.930 -5.585 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 62 3.661 -6.188 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.648 -8.154 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.407 -8.211 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 62 1.622 -7.420 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.289 -9.846 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.004 -9.475 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.022 -10.237 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.457 -8.605 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.247 -9.037 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.069 -7.331 -3.206 1.00 0.00 H new ATOM 896 N PHE A 63 2.928 -4.824 -4.926 1.00 0.00 N ATOM 897 CA PHE A 63 3.470 -4.093 -6.161 1.00 0.00 C ATOM 898 C PHE A 63 2.789 -2.728 -6.410 1.00 0.00 C ATOM 899 O PHE A 63 1.544 -2.638 -6.443 1.00 0.00 O ATOM 900 CB PHE A 63 3.451 -5.062 -7.488 1.00 0.00 C ATOM 901 CG PHE A 63 4.515 -6.236 -7.507 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.315 -7.421 -6.778 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.686 -6.115 -8.228 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.235 -8.434 -6.777 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.622 -7.120 -8.244 1.00 0.00 C ATOM 906 CZ PHE A 63 6.402 -8.296 -7.521 1.00 0.00 C ATOM 0 H PHE A 63 1.910 -4.894 -4.916 1.00 0.00 H new ATOM 0 HA PHE A 63 4.513 -3.856 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.456 -5.498 -7.580 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.610 -4.441 -8.369 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.409 -7.535 -6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.870 -5.212 -8.791 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.057 -9.332 -6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.530 -7.001 -8.816 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.133 -9.091 -7.540 1.00 0.00 H new ATOM 916 N VAL A 64 3.653 -1.634 -6.579 1.00 0.00 N ATOM 917 CA VAL A 64 3.164 -0.154 -6.842 1.00 0.00 C ATOM 918 C VAL A 64 3.680 0.233 -8.259 1.00 0.00 C ATOM 919 O VAL A 64 4.805 0.020 -8.544 1.00 0.00 O ATOM 920 CB VAL A 64 3.560 1.019 -5.660 1.00 0.00 C ATOM 921 CG1 VAL A 64 2.725 2.336 -5.758 1.00 0.00 C ATOM 922 CG2 VAL A 64 3.447 0.535 -4.211 1.00 0.00 C ATOM 0 H VAL A 64 4.668 -1.723 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 64 2.076 -0.151 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 64 4.605 1.216 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.039 3.025 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.886 2.798 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.667 2.106 -5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.717 1.346 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.422 0.222 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.121 -0.307 -4.055 1.00 0.00 H new ATOM 932 N ASN A 65 2.731 0.799 -9.157 1.00 0.00 N ATOM 933 CA ASN A 65 2.913 1.222 -10.702 1.00 0.00 C ATOM 934 C ASN A 65 3.028 -0.027 -11.748 1.00 0.00 C ATOM 935 O ASN A 65 3.032 0.176 -13.006 1.00 0.00 O ATOM 936 CB ASN A 65 4.175 2.279 -10.986 1.00 0.00 C ATOM 937 CG ASN A 65 4.027 3.739 -10.495 1.00 0.00 C ATOM 938 OD1 ASN A 65 2.924 4.317 -10.401 1.00 0.00 O ATOM 939 ND2 ASN A 65 5.166 4.353 -10.219 1.00 0.00 N ATOM 0 H ASN A 65 1.780 0.989 -8.840 1.00 0.00 H new ATOM 0 HA ASN A 65 1.975 1.741 -10.897 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.070 1.861 -10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.353 2.305 -12.061 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.160 5.328 -9.919 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.050 3.851 -10.306 1.00 0.00 H new ATOM 946 N GLU A 66 2.984 -1.339 -11.159 1.00 0.00 N ATOM 947 CA GLU A 66 3.461 -2.735 -11.723 1.00 0.00 C ATOM 948 C GLU A 66 5.034 -3.019 -11.383 1.00 0.00 C ATOM 949 O GLU A 66 5.615 -4.085 -11.791 1.00 0.00 O ATOM 950 CB GLU A 66 3.021 -3.135 -13.289 1.00 0.00 C ATOM 951 CG GLU A 66 1.473 -3.336 -13.609 1.00 0.00 C ATOM 952 CD GLU A 66 0.802 -4.646 -13.070 1.00 0.00 C ATOM 953 OE1 GLU A 66 0.280 -4.628 -11.926 1.00 0.00 O ATOM 954 OE2 GLU A 66 0.790 -5.664 -13.809 1.00 0.00 O ATOM 0 H GLU A 66 2.592 -1.454 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 66 2.858 -3.449 -11.163 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.399 -2.355 -13.950 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.538 -4.057 -13.555 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.929 -2.484 -13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.344 -3.309 -14.691 1.00 0.00 H new ATOM 961 N VAL A 67 5.676 -2.043 -10.492 1.00 0.00 N ATOM 962 CA VAL A 67 7.106 -2.069 -9.987 1.00 0.00 C ATOM 963 C VAL A 67 7.267 -2.764 -8.575 1.00 0.00 C ATOM 964 O VAL A 67 6.306 -2.722 -7.702 1.00 0.00 O ATOM 965 CB VAL A 67 8.014 -0.670 -10.138 1.00 0.00 C ATOM 966 CG1 VAL A 67 8.295 -0.297 -11.554 1.00 0.00 C ATOM 967 CG2 VAL A 67 7.645 0.590 -9.260 1.00 0.00 C ATOM 0 H VAL A 67 5.163 -1.236 -10.137 1.00 0.00 H new ATOM 0 HA VAL A 67 7.576 -2.719 -10.725 1.00 0.00 H new ATOM 0 HB VAL A 67 8.936 -1.004 -9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.887 0.618 -11.579 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.849 -1.101 -12.039 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.355 -0.135 -12.081 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.334 1.404 -9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.626 0.904 -9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.720 0.332 -8.204 1.00 0.00 H new ATOM 977 N ASP A 68 8.570 -3.280 -8.347 1.00 0.00 N ATOM 978 CA ASP A 68 9.004 -4.136 -7.230 1.00 0.00 C ATOM 979 C ASP A 68 9.421 -3.284 -5.953 1.00 0.00 C ATOM 980 O ASP A 68 10.505 -2.624 -5.888 1.00 0.00 O ATOM 981 CB ASP A 68 10.048 -5.252 -7.740 1.00 0.00 C ATOM 982 CG ASP A 68 10.410 -6.446 -6.792 1.00 0.00 C ATOM 983 OD1 ASP A 68 11.315 -6.282 -5.938 1.00 0.00 O ATOM 984 OD2 ASP A 68 9.803 -7.525 -6.939 1.00 0.00 O ATOM 0 H ASP A 68 9.337 -3.075 -8.987 1.00 0.00 H new ATOM 0 HA ASP A 68 8.161 -4.717 -6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.653 -5.674 -8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.977 -4.741 -7.995 1.00 0.00 H new ATOM 989 N VAL A 69 8.422 -3.320 -5.020 1.00 0.00 N ATOM 990 CA VAL A 69 8.354 -2.624 -3.670 1.00 0.00 C ATOM 991 C VAL A 69 8.646 -3.594 -2.413 1.00 0.00 C ATOM 992 O VAL A 69 8.967 -3.087 -1.320 1.00 0.00 O ATOM 993 CB VAL A 69 6.974 -1.708 -3.643 1.00 0.00 C ATOM 994 CG1 VAL A 69 5.861 -1.864 -2.517 1.00 0.00 C ATOM 995 CG2 VAL A 69 7.257 -0.258 -3.998 1.00 0.00 C ATOM 0 H VAL A 69 7.580 -3.870 -5.190 1.00 0.00 H new ATOM 0 HA VAL A 69 9.186 -1.931 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 69 6.426 -2.228 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.051 -1.160 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.469 -2.881 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.300 -1.658 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.328 0.311 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.962 0.161 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.685 -0.205 -4.999 1.00 0.00 H new ATOM 1005 N ARG A 70 8.564 -4.993 -2.647 1.00 0.00 N ATOM 1006 CA ARG A 70 8.782 -6.153 -1.600 1.00 0.00 C ATOM 1007 C ARG A 70 10.170 -6.131 -0.726 1.00 0.00 C ATOM 1008 O ARG A 70 10.240 -6.731 0.391 1.00 0.00 O ATOM 1009 CB ARG A 70 8.404 -7.614 -2.192 1.00 0.00 C ATOM 1010 CG ARG A 70 9.123 -8.171 -3.483 1.00 0.00 C ATOM 1011 CD ARG A 70 8.620 -9.574 -3.834 1.00 0.00 C ATOM 1012 NE ARG A 70 9.300 -10.145 -5.072 1.00 0.00 N ATOM 1013 CZ ARG A 70 9.100 -11.394 -5.726 1.00 0.00 C ATOM 1014 NH1 ARG A 70 8.204 -12.348 -5.313 1.00 0.00 N ATOM 1015 NH2 ARG A 70 9.826 -11.657 -6.806 1.00 0.00 N ATOM 0 H ARG A 70 8.343 -5.358 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 70 8.046 -5.916 -0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.572 -8.337 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.334 -7.610 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.945 -7.497 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.200 -8.198 -3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.793 -10.240 -2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.543 -9.540 -3.998 1.00 0.00 H new ATOM 0 HE ARG A 70 10.005 -9.542 -5.496 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.628 -12.183 -4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.114 -13.222 -5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.503 -10.973 -7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.707 -12.543 -7.297 1.00 0.00 H new ATOM 1029 N GLU A 71 11.228 -5.345 -1.297 1.00 0.00 N ATOM 1030 CA GLU A 71 12.609 -5.059 -0.749 1.00 0.00 C ATOM 1031 C GLU A 71 13.089 -3.626 -1.242 1.00 0.00 C ATOM 1032 O GLU A 71 13.847 -3.457 -2.282 1.00 0.00 O ATOM 1033 CB GLU A 71 13.705 -6.197 -1.021 1.00 0.00 C ATOM 1034 CG GLU A 71 13.747 -7.409 -0.029 1.00 0.00 C ATOM 1035 CD GLU A 71 14.829 -8.469 -0.351 1.00 0.00 C ATOM 1036 OE1 GLU A 71 15.971 -8.346 0.173 1.00 0.00 O ATOM 1037 OE2 GLU A 71 14.524 -9.438 -1.099 1.00 0.00 O ATOM 0 H GLU A 71 11.094 -4.887 -2.199 1.00 0.00 H new ATOM 0 HA GLU A 71 12.515 -5.062 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.542 -6.589 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.688 -5.726 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.917 -7.031 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.771 -7.894 -0.027 1.00 0.00 H new ATOM 1044 N VAL A 72 12.489 -2.566 -0.537 1.00 0.00 N ATOM 1045 CA VAL A 72 12.753 -1.055 -0.714 1.00 0.00 C ATOM 1046 C VAL A 72 12.678 -0.302 0.715 1.00 0.00 C ATOM 1047 O VAL A 72 12.132 -0.869 1.694 1.00 0.00 O ATOM 1048 CB VAL A 72 11.781 -0.257 -1.914 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.882 -0.803 -3.341 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.277 0.082 -1.549 1.00 0.00 C ATOM 0 H VAL A 72 11.792 -2.744 0.186 1.00 0.00 H new ATOM 0 HA VAL A 72 13.764 -0.985 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 72 12.298 0.702 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.232 -0.226 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.912 -0.724 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.574 -1.849 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.800 0.577 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.742 -0.839 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.253 0.742 -0.682 1.00 0.00 H new ATOM 1060 N THR A 73 13.177 1.024 0.740 1.00 0.00 N ATOM 1061 CA THR A 73 12.974 2.070 1.882 1.00 0.00 C ATOM 1062 C THR A 73 11.522 2.755 1.803 1.00 0.00 C ATOM 1063 O THR A 73 10.847 2.653 0.733 1.00 0.00 O ATOM 1064 CB THR A 73 14.122 3.213 1.929 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.568 3.660 0.633 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.289 2.837 2.804 1.00 0.00 C ATOM 0 H THR A 73 13.731 1.399 -0.030 1.00 0.00 H new ATOM 0 HA THR A 73 13.054 1.501 2.808 1.00 0.00 H new ATOM 0 HB THR A 73 13.624 4.067 2.389 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.257 4.348 0.744 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.024 3.641 2.795 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.941 2.674 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.747 1.923 2.427 1.00 0.00 H new ATOM 1074 N HIS A 74 11.040 3.441 2.972 1.00 0.00 N ATOM 1075 CA HIS A 74 9.660 4.244 3.072 1.00 0.00 C ATOM 1076 C HIS A 74 9.429 5.332 1.882 1.00 0.00 C ATOM 1077 O HIS A 74 8.486 5.167 1.017 1.00 0.00 O ATOM 1078 CB HIS A 74 9.359 4.832 4.573 1.00 0.00 C ATOM 1079 CG HIS A 74 10.268 5.982 5.183 1.00 0.00 C ATOM 1080 ND1 HIS A 74 11.513 5.773 5.759 1.00 0.00 N ATOM 1081 CD2 HIS A 74 10.051 7.331 5.273 1.00 0.00 C ATOM 1082 CE1 HIS A 74 12.016 6.943 6.172 1.00 0.00 C ATOM 1083 NE2 HIS A 74 11.148 7.892 5.887 1.00 0.00 N ATOM 0 H HIS A 74 11.568 3.459 3.844 1.00 0.00 H new ATOM 0 HA HIS A 74 8.890 3.492 2.897 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.332 5.197 4.576 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.399 3.989 5.263 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.176 7.860 4.925 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.971 7.085 6.656 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.269 8.884 6.089 1.00 0.00 H new ATOM 1092 N SER A 75 10.511 6.281 1.742 1.00 0.00 N ATOM 1093 CA SER A 75 10.632 7.422 0.692 1.00 0.00 C ATOM 1094 C SER A 75 10.664 6.875 -0.846 1.00 0.00 C ATOM 1095 O SER A 75 10.040 7.495 -1.723 1.00 0.00 O ATOM 1096 CB SER A 75 11.876 8.341 1.055 1.00 0.00 C ATOM 1097 OG SER A 75 11.936 9.557 0.288 1.00 0.00 O ATOM 0 H SER A 75 11.316 6.257 2.368 1.00 0.00 H new ATOM 0 HA SER A 75 9.730 8.032 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.835 8.591 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.794 7.775 0.896 1.00 0.00 H new ATOM 0 HG SER A 75 12.721 10.077 0.560 1.00 0.00 H new ATOM 1103 N ALA A 76 11.279 5.574 -1.043 1.00 0.00 N ATOM 1104 CA ALA A 76 11.386 4.759 -2.340 1.00 0.00 C ATOM 1105 C ALA A 76 9.986 4.097 -2.818 1.00 0.00 C ATOM 1106 O ALA A 76 9.805 3.832 -4.051 1.00 0.00 O ATOM 1107 CB ALA A 76 12.484 3.689 -2.161 1.00 0.00 C ATOM 0 H ALA A 76 11.714 5.083 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 76 11.654 5.447 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.572 3.101 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.436 4.176 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.221 3.033 -1.332 1.00 0.00 H new ATOM 1113 N ALA A 77 8.974 3.888 -1.780 1.00 0.00 N ATOM 1114 CA ALA A 77 7.538 3.419 -2.001 1.00 0.00 C ATOM 1115 C ALA A 77 6.521 4.626 -2.213 1.00 0.00 C ATOM 1116 O ALA A 77 5.591 4.498 -3.039 1.00 0.00 O ATOM 1117 CB ALA A 77 7.092 2.438 -0.893 1.00 0.00 C ATOM 0 H ALA A 77 9.179 4.052 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 77 7.521 2.865 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.065 2.122 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.746 1.566 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.150 2.933 0.076 1.00 0.00 H new ATOM 1123 N VAL A 78 6.809 5.857 -1.490 1.00 0.00 N ATOM 1124 CA VAL A 78 6.045 7.252 -1.594 1.00 0.00 C ATOM 1125 C VAL A 78 6.324 7.972 -3.040 1.00 0.00 C ATOM 1126 O VAL A 78 5.379 8.491 -3.632 1.00 0.00 O ATOM 1127 CB VAL A 78 6.378 8.253 -0.254 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.686 9.657 -0.234 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.937 7.602 1.039 1.00 0.00 C ATOM 0 H VAL A 78 7.578 5.902 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 78 4.973 7.060 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 78 7.455 8.392 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.979 10.194 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.993 10.227 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.604 9.529 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.162 8.264 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.864 7.414 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.467 6.658 1.170 1.00 0.00 H new ATOM 1139 N GLU A 79 7.654 7.899 -3.560 1.00 0.00 N ATOM 1140 CA GLU A 79 8.191 8.436 -4.967 1.00 0.00 C ATOM 1141 C GLU A 79 7.544 7.729 -6.254 1.00 0.00 C ATOM 1142 O GLU A 79 7.553 8.293 -7.366 1.00 0.00 O ATOM 1143 CB GLU A 79 9.758 8.392 -5.060 1.00 0.00 C ATOM 1144 CG GLU A 79 10.492 9.492 -4.247 1.00 0.00 C ATOM 1145 CD GLU A 79 12.036 9.497 -4.385 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.560 10.198 -5.294 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.719 8.827 -3.562 1.00 0.00 O ATOM 0 H GLU A 79 8.401 7.464 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 79 7.857 9.473 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.101 7.416 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.048 8.480 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.113 10.465 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.238 9.373 -3.194 1.00 0.00 H new ATOM 1154 N ALA A 80 6.962 6.461 -6.020 1.00 0.00 N ATOM 1155 CA ALA A 80 6.070 5.673 -6.961 1.00 0.00 C ATOM 1156 C ALA A 80 4.542 6.244 -6.993 1.00 0.00 C ATOM 1157 O ALA A 80 3.860 6.138 -8.045 1.00 0.00 O ATOM 1158 CB ALA A 80 6.144 4.160 -6.607 1.00 0.00 C ATOM 0 H ALA A 80 7.118 5.964 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 80 6.440 5.800 -7.978 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.502 3.596 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.172 3.813 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.809 4.010 -5.581 1.00 0.00 H new ATOM 1164 N LEU A 81 4.064 6.903 -5.785 1.00 0.00 N ATOM 1165 CA LEU A 81 2.677 7.557 -5.579 1.00 0.00 C ATOM 1166 C LEU A 81 2.615 9.113 -5.911 1.00 0.00 C ATOM 1167 O LEU A 81 1.582 9.586 -6.406 1.00 0.00 O ATOM 1168 CB LEU A 81 2.081 7.229 -4.116 1.00 0.00 C ATOM 1169 CG LEU A 81 1.913 5.727 -3.710 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.497 5.482 -2.373 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.476 5.239 -3.760 1.00 0.00 C ATOM 0 H LEU A 81 4.650 6.977 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 81 2.032 7.093 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.728 7.704 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.104 7.707 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 81 2.456 5.149 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.371 4.432 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.559 5.727 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.992 6.106 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.438 4.190 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.133 5.830 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.090 5.346 -4.774 1.00 0.00 H new ATOM 1183 N LYS A 82 3.781 9.880 -5.629 1.00 0.00 N ATOM 1184 CA LYS A 82 3.987 11.388 -5.870 1.00 0.00 C ATOM 1185 C LYS A 82 4.486 11.749 -7.342 1.00 0.00 C ATOM 1186 O LYS A 82 3.979 12.747 -7.935 1.00 0.00 O ATOM 1187 CB LYS A 82 4.922 12.055 -4.750 1.00 0.00 C ATOM 1188 CG LYS A 82 4.255 12.367 -3.372 1.00 0.00 C ATOM 1189 CD LYS A 82 5.232 13.073 -2.422 1.00 0.00 C ATOM 1190 CE LYS A 82 4.562 13.480 -1.106 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.516 14.159 -0.185 1.00 0.00 N ATOM 0 H LYS A 82 4.609 9.447 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 82 2.993 11.827 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.769 11.392 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.323 12.985 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.377 12.995 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.908 11.440 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.073 12.413 -2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.637 13.959 -2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.724 14.145 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.153 12.595 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.025 14.419 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.303 13.516 0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.887 15.017 -0.641 1.00 0.00 H new ATOM 1205 N GLU A 83 5.467 10.877 -7.921 1.00 0.00 N ATOM 1206 CA GLU A 83 6.135 11.069 -9.343 1.00 0.00 C ATOM 1207 C GLU A 83 5.456 10.384 -10.605 1.00 0.00 C ATOM 1208 O GLU A 83 5.873 10.682 -11.799 1.00 0.00 O ATOM 1209 CB GLU A 83 7.651 10.797 -9.307 1.00 0.00 C ATOM 1210 CG GLU A 83 8.435 11.907 -8.616 1.00 0.00 C ATOM 1211 CD GLU A 83 9.982 11.776 -8.662 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.607 12.306 -9.623 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.567 11.173 -7.720 1.00 0.00 O ATOM 0 H GLU A 83 5.808 10.048 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 83 5.940 12.125 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.834 9.854 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.019 10.679 -10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.157 12.858 -9.070 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.124 11.949 -7.572 1.00 0.00 H new ATOM 1220 N ALA A 84 4.330 9.532 -10.369 1.00 0.00 N ATOM 1221 CA ALA A 84 3.496 8.790 -11.499 1.00 0.00 C ATOM 1222 C ALA A 84 2.804 9.760 -12.624 1.00 0.00 C ATOM 1223 O ALA A 84 2.513 9.302 -13.782 1.00 0.00 O ATOM 1224 CB ALA A 84 2.507 7.784 -10.887 1.00 0.00 C ATOM 0 H ALA A 84 3.980 9.341 -9.430 1.00 0.00 H new ATOM 0 HA ALA A 84 4.235 8.236 -12.078 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.950 7.291 -11.684 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.056 7.038 -10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.813 8.309 -10.230 1.00 0.00 H new ATOM 1230 N GLY A 85 2.611 11.113 -12.210 1.00 0.00 N ATOM 1231 CA GLY A 85 2.246 12.271 -13.091 1.00 0.00 C ATOM 1232 C GLY A 85 0.888 12.927 -12.876 1.00 0.00 C ATOM 1233 O GLY A 85 0.796 14.170 -13.005 1.00 0.00 O ATOM 0 H GLY A 85 2.715 11.391 -11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.011 13.038 -12.970 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.294 11.933 -14.126 1.00 0.00 H new ATOM 1237 N SER A 86 -0.196 12.063 -12.498 1.00 0.00 N ATOM 1238 CA SER A 86 -1.709 12.388 -12.252 1.00 0.00 C ATOM 1239 C SER A 86 -2.563 11.089 -11.942 1.00 0.00 C ATOM 1240 O SER A 86 -3.484 11.141 -11.105 1.00 0.00 O ATOM 1241 CB SER A 86 -2.394 13.241 -13.437 1.00 0.00 C ATOM 1242 OG SER A 86 -2.366 12.596 -14.731 1.00 0.00 O ATOM 0 H SER A 86 -0.019 11.069 -12.351 1.00 0.00 H new ATOM 0 HA SER A 86 -1.712 13.022 -11.365 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.431 13.445 -13.169 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.889 14.204 -13.514 1.00 0.00 H new ATOM 0 HG SER A 86 -2.800 13.173 -15.394 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.205 9.921 -12.679 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.899 8.570 -12.658 1.00 0.00 C ATOM 1250 C ILE A 87 -1.858 7.497 -12.145 1.00 0.00 C ATOM 1251 O ILE A 87 -0.825 7.178 -12.824 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.678 8.191 -14.145 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.655 9.397 -14.747 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -4.418 6.760 -14.227 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.884 9.967 -13.916 1.00 0.00 C ATOM 0 H ILE A 87 -1.404 9.923 -13.310 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.736 8.582 -11.960 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.813 8.107 -14.803 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.008 10.244 -14.975 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.054 9.037 -15.695 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.869 6.640 -15.212 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.691 5.965 -14.061 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.194 6.707 -13.463 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.384 10.745 -14.493 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.587 9.161 -13.708 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.525 10.387 -12.977 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.216 6.986 -10.917 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.447 6.044 -10.036 1.00 0.00 C ATOM 1269 C VAL A 88 -2.259 4.621 -9.949 1.00 0.00 C ATOM 1270 O VAL A 88 -3.515 4.595 -9.810 1.00 0.00 O ATOM 1271 CB VAL A 88 -1.166 6.789 -8.519 1.00 0.00 C ATOM 1272 CG1 VAL A 88 -0.438 5.950 -7.502 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -0.421 8.163 -8.577 1.00 0.00 C ATOM 0 H VAL A 88 -3.108 7.240 -10.493 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.463 5.817 -10.447 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.197 6.936 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.315 6.520 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.013 5.047 -7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.542 5.674 -7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.293 8.550 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.556 8.028 -9.041 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.007 8.870 -9.165 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.439 3.492 -10.026 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.879 2.016 -9.905 1.00 0.00 C ATOM 1285 C ARG A 89 -1.179 1.246 -8.713 1.00 0.00 C ATOM 1286 O ARG A 89 0.042 1.335 -8.545 1.00 0.00 O ATOM 1287 CB ARG A 89 -1.920 1.152 -11.338 1.00 0.00 C ATOM 1288 CG ARG A 89 -0.710 1.145 -12.332 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.001 2.105 -13.478 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.022 1.966 -14.636 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.051 2.564 -15.927 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.035 3.417 -16.363 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.934 2.277 -16.769 1.00 0.00 N ATOM 0 H ARG A 89 -0.434 3.578 -10.177 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.932 2.087 -9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.117 0.113 -11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.785 1.509 -11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.203 1.442 -11.815 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.545 0.139 -12.717 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.013 1.930 -13.843 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.969 3.128 -13.104 1.00 0.00 H new ATOM 0 HE ARG A 89 0.774 1.352 -14.460 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.810 3.659 -15.746 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.990 3.809 -17.304 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.681 1.645 -16.483 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.943 2.689 -17.702 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.052 0.576 -7.842 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.685 -0.301 -6.636 1.00 0.00 C ATOM 1309 C LEU A 90 -2.211 -1.798 -6.774 1.00 0.00 C ATOM 1310 O LEU A 90 -3.374 -2.035 -7.256 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.115 0.421 -5.206 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.603 0.906 -4.924 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.481 -0.178 -4.296 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.557 2.139 -4.089 1.00 0.00 C ATOM 0 H LEU A 90 -3.063 0.636 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.599 -0.388 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.855 -0.277 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.472 1.293 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.076 1.130 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.483 0.217 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.536 -1.036 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.050 -0.489 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.572 2.481 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.055 1.921 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.010 2.918 -4.620 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.305 -2.791 -6.320 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.545 -4.281 -6.306 1.00 0.00 C ATOM 1328 C TYR A 91 -1.450 -4.857 -4.849 1.00 0.00 C ATOM 1329 O TYR A 91 -0.301 -4.957 -4.251 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.571 -5.054 -7.373 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.925 -6.543 -7.815 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.172 -6.892 -8.366 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.003 -7.550 -7.647 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.472 -8.154 -8.719 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.276 -8.845 -8.013 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.520 -9.153 -8.549 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.799 -10.445 -8.933 1.00 0.00 O ATOM 0 H TYR A 91 -0.385 -2.546 -5.955 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.565 -4.467 -6.642 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.527 -4.446 -8.276 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.433 -5.068 -6.949 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.913 -6.120 -8.510 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.967 -7.316 -7.220 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.442 -8.389 -9.130 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.467 -9.618 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.025 -11.016 -8.745 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.697 -5.279 -4.349 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.982 -5.808 -2.895 1.00 0.00 C ATOM 1349 C VAL A 92 -3.228 -7.445 -2.772 1.00 0.00 C ATOM 1350 O VAL A 92 -3.615 -8.117 -3.782 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.193 -4.928 -2.102 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.890 -3.429 -1.970 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.620 -5.126 -2.698 1.00 0.00 C ATOM 0 H VAL A 92 -3.537 -5.268 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.044 -5.629 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.189 -5.360 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.712 -2.936 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.969 -3.292 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.773 -2.993 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.336 -4.529 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.626 -4.810 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.897 -6.178 -2.637 1.00 0.00 H new ATOM 1363 N MET A 93 -3.057 -7.970 -1.456 1.00 0.00 N ATOM 1364 CA MET A 93 -3.144 -9.472 -1.008 1.00 0.00 C ATOM 1365 C MET A 93 -4.286 -9.789 0.093 1.00 0.00 C ATOM 1366 O MET A 93 -4.322 -9.153 1.185 1.00 0.00 O ATOM 1367 CB MET A 93 -1.675 -10.136 -0.614 1.00 0.00 C ATOM 1368 CG MET A 93 -0.782 -9.474 0.563 1.00 0.00 C ATOM 1369 SD MET A 93 0.659 -10.479 1.145 1.00 0.00 S ATOM 1370 CE MET A 93 1.952 -10.271 -0.115 1.00 0.00 C ATOM 0 H MET A 93 -2.853 -7.354 -0.669 1.00 0.00 H new ATOM 0 HA MET A 93 -3.478 -9.986 -1.909 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.851 -11.177 -0.342 1.00 0.00 H new ATOM 0 HB3 MET A 93 -1.067 -10.141 -1.519 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.411 -8.511 0.213 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.430 -9.275 1.416 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.762 -10.975 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.531 -10.460 -1.103 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.339 -9.253 -0.074 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.196 -10.819 -0.257 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.343 -11.399 0.600 1.00 0.00 C ATOM 1382 C ARG A 94 -6.258 -12.981 0.663 1.00 0.00 C ATOM 1383 O ARG A 94 -5.887 -13.652 -0.347 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.823 -10.926 0.124 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.253 -9.491 0.505 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.698 -9.222 0.075 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.190 -7.848 0.504 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.487 -7.272 0.404 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.580 -7.913 -0.128 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -11.657 -6.037 0.856 1.00 0.00 N ATOM 0 H ARG A 94 -5.143 -11.275 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.201 -10.989 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.877 -11.020 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.552 -11.621 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.158 -9.352 1.582 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.588 -8.770 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.773 -9.308 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.348 -9.986 0.501 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.482 -7.248 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.490 -8.865 -0.483 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.481 -7.437 -0.167 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.870 -5.529 1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.574 -5.595 0.799 1.00 0.00 H new ATOM 1604 N SER B 8 2.891 9.498 5.542 1.00 0.00 N ATOM 1605 CA SER B 8 2.997 8.987 4.085 1.00 0.00 C ATOM 1606 C SER B 8 1.600 9.059 3.233 1.00 0.00 C ATOM 1607 O SER B 8 0.584 9.606 3.752 1.00 0.00 O ATOM 1608 CB SER B 8 3.622 7.528 4.111 1.00 0.00 C ATOM 1609 OG SER B 8 4.937 7.502 4.675 1.00 0.00 O ATOM 0 HA SER B 8 3.654 9.665 3.540 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.971 6.868 4.685 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.659 7.134 3.095 1.00 0.00 H new ATOM 0 HG SER B 8 5.160 6.586 4.944 1.00 0.00 H new ATOM 1615 N VAL B 9 1.609 8.521 1.891 1.00 0.00 N ATOM 1616 CA VAL B 9 0.423 8.540 0.901 1.00 0.00 C ATOM 1617 C VAL B 9 -0.130 7.025 0.762 1.00 0.00 C ATOM 1618 O VAL B 9 -0.907 6.643 1.612 1.00 0.00 O ATOM 1619 CB VAL B 9 0.790 9.286 -0.622 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.461 9.806 -1.339 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.767 10.500 -0.556 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.234 6.292 -0.173 1.00 0.00 O ATOM 0 H VAL B 9 2.437 8.075 1.497 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.364 9.180 1.300 1.00 0.00 H new ATOM 0 HB VAL B 9 1.268 8.467 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.174 10.263 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.143 8.977 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.957 10.548 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL B 9 1.929 10.892 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.337 11.280 0.072 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.719 10.178 -0.134 1.00 0.00 H new