USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 294 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 5 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -27:sc= 0.447 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00585 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0498 F(o=-0.62,f=-0.05) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.19 K(o=-2.2,f=-3!) USER MOD Single : B 5 HIS : no HE2:sc= -1.6 X(o=-1.6,f=-1.4) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 127:sc= -2.35! USER MOD ----------------------------------------------------------------- ATOM 29 N VAL A 3 -4.274 3.004 -5.125 1.00 0.00 N ATOM 30 CA VAL A 3 -4.391 3.803 -6.377 1.00 0.00 C ATOM 31 C VAL A 3 -4.415 5.295 -6.038 1.00 0.00 C ATOM 32 O VAL A 3 -3.769 6.096 -6.683 1.00 0.00 O ATOM 33 CB VAL A 3 -5.683 3.424 -7.102 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.856 4.316 -8.332 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.608 1.962 -7.543 1.00 0.00 C ATOM 0 HA VAL A 3 -3.536 3.594 -7.020 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.531 3.560 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.777 4.047 -8.850 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.906 5.359 -8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.008 4.178 -9.003 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.528 1.690 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.761 1.828 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.481 1.324 -6.668 1.00 0.00 H new ATOM 45 N GLU A 4 -5.156 5.677 -5.035 1.00 0.00 N ATOM 46 CA GLU A 4 -5.215 7.120 -4.669 1.00 0.00 C ATOM 47 C GLU A 4 -3.954 7.506 -3.892 1.00 0.00 C ATOM 48 O GLU A 4 -3.789 8.639 -3.484 1.00 0.00 O ATOM 49 CB GLU A 4 -6.449 7.378 -3.800 1.00 0.00 C ATOM 50 CG GLU A 4 -7.712 7.269 -4.658 1.00 0.00 C ATOM 51 CD GLU A 4 -8.408 8.630 -4.720 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.862 9.525 -5.343 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.475 8.755 -4.140 1.00 0.00 O ATOM 0 H GLU A 4 -5.721 5.056 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.278 7.720 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.488 6.657 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.388 8.368 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.454 6.935 -5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.386 6.523 -4.238 1.00 0.00 H new ATOM 60 N GLN A 5 -3.062 6.577 -3.682 1.00 0.00 N ATOM 61 CA GLN A 5 -1.817 6.900 -2.932 1.00 0.00 C ATOM 62 C GLN A 5 -0.629 6.973 -3.900 1.00 0.00 C ATOM 63 O GLN A 5 0.182 7.877 -3.830 1.00 0.00 O ATOM 64 CB GLN A 5 -1.562 5.825 -1.871 1.00 0.00 C ATOM 65 CG GLN A 5 -2.480 6.065 -0.671 1.00 0.00 C ATOM 66 CD GLN A 5 -1.703 6.790 0.429 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.927 7.682 0.153 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.878 6.441 1.676 1.00 0.00 N ATOM 0 H GLN A 5 -3.142 5.610 -3.997 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.933 7.866 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.744 4.835 -2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.519 5.851 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.343 6.658 -0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.862 5.115 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.530 5.692 1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.363 6.918 2.416 1.00 0.00 H new ATOM 77 N CYS A 6 -0.516 6.035 -4.805 1.00 0.00 N ATOM 78 CA CYS A 6 0.625 6.068 -5.762 1.00 0.00 C ATOM 79 C CYS A 6 0.294 7.012 -6.918 1.00 0.00 C ATOM 80 O CYS A 6 1.171 7.493 -7.609 1.00 0.00 O ATOM 81 CB CYS A 6 0.891 4.665 -6.307 1.00 0.00 C ATOM 82 SG CYS A 6 1.779 3.691 -5.068 1.00 0.00 S ATOM 0 H CYS A 6 -1.161 5.253 -4.921 1.00 0.00 H new ATOM 0 HA CYS A 6 1.516 6.423 -5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.051 4.178 -6.561 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.476 4.725 -7.225 1.00 0.00 H new ATOM 87 N CYS A 7 -0.964 7.288 -7.131 1.00 0.00 N ATOM 88 CA CYS A 7 -1.343 8.209 -8.237 1.00 0.00 C ATOM 89 C CYS A 7 -1.474 9.624 -7.678 1.00 0.00 C ATOM 90 O CYS A 7 -1.397 10.599 -8.398 1.00 0.00 O ATOM 91 CB CYS A 7 -2.669 7.758 -8.858 1.00 0.00 C ATOM 92 SG CYS A 7 -2.904 8.566 -10.462 1.00 0.00 S ATOM 0 H CYS A 7 -1.743 6.916 -6.588 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.576 8.194 -9.012 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.673 6.675 -8.982 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.495 8.005 -8.192 1.00 0.00 H new ATOM 97 N THR A 8 -1.643 9.744 -6.390 1.00 0.00 N ATOM 98 CA THR A 8 -1.746 11.095 -5.776 1.00 0.00 C ATOM 99 C THR A 8 -0.328 11.623 -5.558 1.00 0.00 C ATOM 100 O THR A 8 -0.100 12.811 -5.447 1.00 0.00 O ATOM 101 CB THR A 8 -2.476 10.999 -4.434 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.717 12.307 -3.933 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.619 10.218 -3.439 1.00 0.00 C ATOM 0 H THR A 8 -1.714 8.964 -5.737 1.00 0.00 H new ATOM 0 HA THR A 8 -2.305 11.767 -6.428 1.00 0.00 H new ATOM 0 HB THR A 8 -3.426 10.483 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.186 12.247 -3.074 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.140 10.151 -2.484 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.437 9.215 -3.825 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.667 10.731 -3.298 1.00 0.00 H new ATOM 111 N SER A 9 0.627 10.732 -5.507 1.00 0.00 N ATOM 112 CA SER A 9 2.044 11.146 -5.312 1.00 0.00 C ATOM 113 C SER A 9 2.948 9.958 -5.645 1.00 0.00 C ATOM 114 O SER A 9 2.492 8.941 -6.130 1.00 0.00 O ATOM 115 CB SER A 9 2.260 11.562 -3.858 1.00 0.00 C ATOM 116 OG SER A 9 1.353 12.606 -3.530 1.00 0.00 O ATOM 0 H SER A 9 0.482 9.726 -5.593 1.00 0.00 H new ATOM 0 HA SER A 9 2.280 11.989 -5.962 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.106 10.709 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.287 11.897 -3.712 1.00 0.00 H new ATOM 0 HG SER A 9 1.124 13.107 -4.341 1.00 0.00 H new ATOM 122 N ILE A 10 4.222 10.066 -5.390 1.00 0.00 N ATOM 123 CA ILE A 10 5.132 8.925 -5.697 1.00 0.00 C ATOM 124 C ILE A 10 5.095 7.926 -4.534 1.00 0.00 C ATOM 125 O ILE A 10 4.746 8.262 -3.420 1.00 0.00 O ATOM 126 CB ILE A 10 6.568 9.443 -5.903 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.749 9.869 -7.366 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.579 8.335 -5.570 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.244 10.005 -7.686 1.00 0.00 C ATOM 0 H ILE A 10 4.671 10.888 -4.985 1.00 0.00 H new ATOM 0 HA ILE A 10 4.804 8.430 -6.611 1.00 0.00 H new ATOM 0 HB ILE A 10 6.739 10.295 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.291 9.134 -8.028 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.242 10.817 -7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.592 8.710 -5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.454 8.029 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.409 7.479 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.367 10.308 -8.726 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.689 10.757 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.739 9.047 -7.526 1.00 0.00 H new ATOM 141 N CYS A 11 5.469 6.703 -4.790 1.00 0.00 N ATOM 142 CA CYS A 11 5.476 5.676 -3.712 1.00 0.00 C ATOM 143 C CYS A 11 6.573 4.652 -4.019 1.00 0.00 C ATOM 144 O CYS A 11 7.511 4.940 -4.736 1.00 0.00 O ATOM 145 CB CYS A 11 4.110 4.986 -3.645 1.00 0.00 C ATOM 146 SG CYS A 11 3.703 4.280 -5.261 1.00 0.00 S ATOM 0 H CYS A 11 5.772 6.370 -5.705 1.00 0.00 H new ATOM 0 HA CYS A 11 5.673 6.146 -2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.125 4.202 -2.888 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.344 5.702 -3.347 1.00 0.00 H new ATOM 151 N SER A 12 6.477 3.466 -3.487 1.00 0.00 N ATOM 152 CA SER A 12 7.531 2.452 -3.762 1.00 0.00 C ATOM 153 C SER A 12 6.896 1.073 -3.946 1.00 0.00 C ATOM 154 O SER A 12 5.811 0.801 -3.466 1.00 0.00 O ATOM 155 CB SER A 12 8.511 2.404 -2.590 1.00 0.00 C ATOM 156 OG SER A 12 7.788 2.515 -1.371 1.00 0.00 O ATOM 0 H SER A 12 5.720 3.157 -2.878 1.00 0.00 H new ATOM 0 HA SER A 12 8.060 2.728 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.074 1.471 -2.609 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.235 3.215 -2.672 1.00 0.00 H new ATOM 0 HG SER A 12 8.412 2.483 -0.616 1.00 0.00 H new ATOM 162 N LEU A 13 7.576 0.196 -4.633 1.00 0.00 N ATOM 163 CA LEU A 13 7.024 -1.172 -4.843 1.00 0.00 C ATOM 164 C LEU A 13 7.021 -1.909 -3.504 1.00 0.00 C ATOM 165 O LEU A 13 6.352 -2.909 -3.336 1.00 0.00 O ATOM 166 CB LEU A 13 7.892 -1.950 -5.843 1.00 0.00 C ATOM 167 CG LEU A 13 8.606 -0.983 -6.792 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.020 -0.710 -6.274 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.692 -1.605 -8.187 1.00 0.00 C ATOM 0 H LEU A 13 8.488 0.367 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 13 6.012 -1.095 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.626 -2.552 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.271 -2.639 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 13 8.047 -0.048 -6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.528 -0.022 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.964 -0.267 -5.279 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.576 -1.646 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.200 -0.916 -8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.250 -2.540 -8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.687 -1.803 -8.560 1.00 0.00 H new ATOM 181 N TYR A 14 7.760 -1.417 -2.543 1.00 0.00 N ATOM 182 CA TYR A 14 7.788 -2.083 -1.214 1.00 0.00 C ATOM 183 C TYR A 14 6.389 -2.020 -0.623 1.00 0.00 C ATOM 184 O TYR A 14 5.900 -2.965 -0.039 1.00 0.00 O ATOM 185 CB TYR A 14 8.773 -1.361 -0.292 1.00 0.00 C ATOM 186 CG TYR A 14 10.189 -1.618 -0.768 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.854 -2.795 -0.393 1.00 0.00 C ATOM 188 CD2 TYR A 14 10.838 -0.680 -1.585 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.164 -3.032 -0.833 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.148 -0.919 -2.024 1.00 0.00 C ATOM 191 CZ TYR A 14 12.810 -2.094 -1.648 1.00 0.00 C ATOM 192 OH TYR A 14 14.099 -2.327 -2.081 1.00 0.00 O ATOM 0 H TYR A 14 8.343 -0.584 -2.624 1.00 0.00 H new ATOM 0 HA TYR A 14 8.107 -3.120 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.567 -0.291 -0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.653 -1.712 0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.356 -3.519 0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.328 0.227 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.675 -3.938 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.647 -0.196 -2.653 1.00 0.00 H new ATOM 0 HH TYR A 14 14.397 -1.578 -2.638 1.00 0.00 H new ATOM 202 N GLN A 15 5.735 -0.912 -0.800 1.00 0.00 N ATOM 203 CA GLN A 15 4.352 -0.775 -0.282 1.00 0.00 C ATOM 204 C GLN A 15 3.418 -1.520 -1.234 1.00 0.00 C ATOM 205 O GLN A 15 2.317 -1.894 -0.884 1.00 0.00 O ATOM 206 CB GLN A 15 3.958 0.702 -0.229 1.00 0.00 C ATOM 207 CG GLN A 15 4.968 1.472 0.622 1.00 0.00 C ATOM 208 CD GLN A 15 4.383 2.834 0.999 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.842 2.999 2.074 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.467 3.824 0.152 1.00 0.00 N ATOM 0 H GLN A 15 6.101 -0.092 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 15 4.284 -1.189 0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.925 1.116 -1.237 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.958 0.807 0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.208 0.906 1.522 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.899 1.604 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.921 3.686 -0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.078 4.736 0.393 1.00 0.00 H new ATOM 219 N LEU A 16 3.866 -1.739 -2.440 1.00 0.00 N ATOM 220 CA LEU A 16 3.037 -2.463 -3.434 1.00 0.00 C ATOM 221 C LEU A 16 2.983 -3.945 -3.058 1.00 0.00 C ATOM 222 O LEU A 16 2.120 -4.678 -3.497 1.00 0.00 O ATOM 223 CB LEU A 16 3.680 -2.301 -4.810 1.00 0.00 C ATOM 224 CG LEU A 16 3.194 -1.000 -5.450 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.867 -0.810 -6.811 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.676 -1.064 -5.638 1.00 0.00 C ATOM 0 H LEU A 16 4.781 -1.442 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 16 2.024 -2.061 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.766 -2.289 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.424 -3.149 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 16 3.449 -0.161 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.518 0.118 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.948 -0.765 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.615 -1.648 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.326 -0.138 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.425 -1.904 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.195 -1.195 -4.669 1.00 0.00 H new ATOM 238 N GLU A 17 3.901 -4.385 -2.243 1.00 0.00 N ATOM 239 CA GLU A 17 3.911 -5.816 -1.829 1.00 0.00 C ATOM 240 C GLU A 17 2.777 -6.060 -0.833 1.00 0.00 C ATOM 241 O GLU A 17 2.285 -7.161 -0.691 1.00 0.00 O ATOM 242 CB GLU A 17 5.250 -6.150 -1.165 1.00 0.00 C ATOM 243 CG GLU A 17 6.290 -6.475 -2.238 1.00 0.00 C ATOM 244 CD GLU A 17 6.078 -7.905 -2.739 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.817 -8.766 -1.916 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.181 -8.113 -3.937 1.00 0.00 O ATOM 0 H GLU A 17 4.646 -3.814 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 17 3.774 -6.449 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.587 -5.308 -0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.131 -6.998 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.205 -5.772 -3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.295 -6.367 -1.830 1.00 0.00 H new ATOM 253 N ASN A 18 2.360 -5.036 -0.146 1.00 0.00 N ATOM 254 CA ASN A 18 1.259 -5.196 0.842 1.00 0.00 C ATOM 255 C ASN A 18 -0.079 -5.288 0.106 1.00 0.00 C ATOM 256 O ASN A 18 -1.124 -5.406 0.713 1.00 0.00 O ATOM 257 CB ASN A 18 1.247 -3.991 1.781 1.00 0.00 C ATOM 258 CG ASN A 18 1.965 -4.353 3.082 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.933 -5.229 3.057 1.00 0.00 O flip ATOM 260 ND2 ASN A 18 1.644 -3.833 4.133 1.00 0.00 N flip ATOM 0 H ASN A 18 2.736 -4.091 -0.226 1.00 0.00 H new ATOM 0 HA ASN A 18 1.414 -6.107 1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.738 -3.141 1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.221 -3.690 1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.888 -3.149 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.131 -4.081 4.994 1.00 0.00 H new ATOM 267 N TYR A 19 -0.056 -5.242 -1.199 1.00 0.00 N ATOM 268 CA TYR A 19 -1.323 -5.333 -1.973 1.00 0.00 C ATOM 269 C TYR A 19 -1.281 -6.588 -2.845 1.00 0.00 C ATOM 270 O TYR A 19 -1.980 -6.697 -3.833 1.00 0.00 O ATOM 271 CB TYR A 19 -1.467 -4.097 -2.863 1.00 0.00 C ATOM 272 CG TYR A 19 -1.652 -2.869 -2.002 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.936 -2.498 -1.576 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.542 -2.100 -1.629 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.107 -1.358 -0.779 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.713 -0.960 -0.832 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.996 -0.590 -0.406 1.00 0.00 C ATOM 278 OH TYR A 19 -2.166 0.533 0.379 1.00 0.00 O ATOM 0 H TYR A 19 0.789 -5.145 -1.762 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.171 -5.385 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.583 -3.983 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.319 -4.216 -3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.792 -3.091 -1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.447 -2.386 -1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.096 -1.071 -0.452 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.143 -0.367 -0.546 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.295 0.950 0.547 1.00 0.00 H new ATOM 288 N CYS A 20 -0.459 -7.537 -2.486 1.00 0.00 N ATOM 289 CA CYS A 20 -0.360 -8.787 -3.291 1.00 0.00 C ATOM 290 C CYS A 20 -1.611 -9.643 -3.070 1.00 0.00 C ATOM 291 O CYS A 20 -2.628 -9.446 -3.707 1.00 0.00 O ATOM 292 CB CYS A 20 0.885 -9.569 -2.864 1.00 0.00 C ATOM 293 SG CYS A 20 2.373 -8.621 -3.269 1.00 0.00 S ATOM 0 H CYS A 20 0.149 -7.500 -1.668 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.283 -8.534 -4.348 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.850 -9.769 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.910 -10.535 -3.368 1.00 0.00 H new ATOM 298 N ASN A 21 -1.546 -10.591 -2.177 1.00 0.00 N ATOM 299 CA ASN A 21 -2.730 -11.458 -1.920 1.00 0.00 C ATOM 300 C ASN A 21 -2.750 -11.874 -0.447 1.00 0.00 C ATOM 301 O ASN A 21 -3.356 -12.890 -0.148 1.00 0.00 O ATOM 302 CB ASN A 21 -2.646 -12.709 -2.798 1.00 0.00 C ATOM 303 CG ASN A 21 -3.500 -12.512 -4.052 1.00 0.00 C ATOM 304 OD1 ASN A 21 -3.444 -11.476 -4.684 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.294 -13.472 -4.441 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.160 -11.170 0.355 1.00 0.00 O ATOM 0 H ASN A 21 -0.723 -10.803 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.640 -10.906 -2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.610 -12.901 -3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.993 -13.580 -2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.868 -13.353 -5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.341 -14.342 -3.910 1.00 0.00 H new ATOM 383 N HIS B 5 6.598 7.756 -10.460 1.00 0.00 N ATOM 384 CA HIS B 5 5.169 8.040 -10.154 1.00 0.00 C ATOM 385 C HIS B 5 4.305 6.898 -10.691 1.00 0.00 C ATOM 386 O HIS B 5 4.532 6.389 -11.771 1.00 0.00 O ATOM 387 CB HIS B 5 4.754 9.353 -10.818 1.00 0.00 C ATOM 388 CG HIS B 5 3.554 9.914 -10.109 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.527 10.521 -10.799 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.230 9.948 -8.780 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.622 10.902 -9.886 1.00 0.00 C ATOM 392 NE2 HIS B 5 2.009 10.573 -8.636 1.00 0.00 N ATOM 0 HA HIS B 5 5.035 8.126 -9.076 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.577 10.067 -10.783 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.523 9.184 -11.870 1.00 0.00 H new ATOM 0 HD1 HIS B 5 2.467 10.655 -11.808 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.832 9.551 -7.976 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.698 11.409 -10.122 1.00 0.00 H new ATOM 400 N LEU B 6 3.318 6.487 -9.944 1.00 0.00 N ATOM 401 CA LEU B 6 2.443 5.373 -10.409 1.00 0.00 C ATOM 402 C LEU B 6 1.005 5.874 -10.538 1.00 0.00 C ATOM 403 O LEU B 6 0.632 6.860 -9.942 1.00 0.00 O ATOM 404 CB LEU B 6 2.490 4.238 -9.383 1.00 0.00 C ATOM 405 CG LEU B 6 3.576 3.231 -9.756 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.394 2.787 -11.204 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.942 3.889 -9.590 1.00 0.00 C ATOM 0 H LEU B 6 3.079 6.874 -9.031 1.00 0.00 H new ATOM 0 HA LEU B 6 2.792 5.013 -11.377 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.686 4.644 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.522 3.739 -9.338 1.00 0.00 H new ATOM 0 HG LEU B 6 3.505 2.359 -9.106 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.171 2.069 -11.465 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.415 2.321 -11.322 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.465 3.653 -11.862 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.724 3.177 -9.854 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.008 4.759 -10.243 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.072 4.202 -8.554 1.00 0.00 H new ATOM 419 N CYS B 7 0.192 5.198 -11.305 1.00 0.00 N ATOM 420 CA CYS B 7 -1.226 5.635 -11.459 1.00 0.00 C ATOM 421 C CYS B 7 -2.059 4.475 -12.034 1.00 0.00 C ATOM 422 O CYS B 7 -2.324 3.506 -11.351 1.00 0.00 O ATOM 423 CB CYS B 7 -1.289 6.861 -12.381 1.00 0.00 C ATOM 424 SG CYS B 7 -1.124 8.372 -11.398 1.00 0.00 S ATOM 0 H CYS B 7 0.448 4.363 -11.831 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.637 5.911 -10.488 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.493 6.810 -13.124 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.233 6.871 -12.925 1.00 0.00 H new ATOM 429 N GLY B 8 -2.481 4.552 -13.274 1.00 0.00 N ATOM 430 CA GLY B 8 -3.296 3.443 -13.851 1.00 0.00 C ATOM 431 C GLY B 8 -2.390 2.282 -14.264 1.00 0.00 C ATOM 432 O GLY B 8 -1.739 1.670 -13.442 1.00 0.00 O ATOM 0 H GLY B 8 -2.296 5.331 -13.906 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.028 3.101 -13.119 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.854 3.804 -14.715 1.00 0.00 H new ATOM 436 N SER B 9 -2.354 1.970 -15.533 1.00 0.00 N ATOM 437 CA SER B 9 -1.497 0.843 -16.006 1.00 0.00 C ATOM 438 C SER B 9 -0.154 0.886 -15.279 1.00 0.00 C ATOM 439 O SER B 9 0.474 -0.128 -15.052 1.00 0.00 O ATOM 440 CB SER B 9 -1.265 0.977 -17.512 1.00 0.00 C ATOM 441 OG SER B 9 -2.051 0.011 -18.197 1.00 0.00 O ATOM 0 H SER B 9 -2.882 2.448 -16.263 1.00 0.00 H new ATOM 0 HA SER B 9 -1.994 -0.104 -15.797 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.531 1.981 -17.844 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.209 0.834 -17.743 1.00 0.00 H new ATOM 0 HG SER B 9 -1.905 0.096 -19.162 1.00 0.00 H new ATOM 447 N ASP B 10 0.287 2.054 -14.909 1.00 0.00 N ATOM 448 CA ASP B 10 1.585 2.163 -14.193 1.00 0.00 C ATOM 449 C ASP B 10 1.462 1.492 -12.825 1.00 0.00 C ATOM 450 O ASP B 10 2.183 0.566 -12.512 1.00 0.00 O ATOM 451 CB ASP B 10 1.943 3.639 -14.008 1.00 0.00 C ATOM 452 CG ASP B 10 2.316 4.247 -15.361 1.00 0.00 C ATOM 453 OD1 ASP B 10 1.419 4.463 -16.158 1.00 0.00 O ATOM 454 OD2 ASP B 10 3.492 4.486 -15.575 1.00 0.00 O ATOM 0 H ASP B 10 -0.196 2.938 -15.072 1.00 0.00 H new ATOM 0 HA ASP B 10 2.366 1.672 -14.773 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.100 4.177 -13.576 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.775 3.738 -13.311 1.00 0.00 H new ATOM 459 N LEU B 11 0.554 1.952 -12.007 1.00 0.00 N ATOM 460 CA LEU B 11 0.394 1.340 -10.659 1.00 0.00 C ATOM 461 C LEU B 11 -0.056 -0.110 -10.819 1.00 0.00 C ATOM 462 O LEU B 11 0.205 -0.952 -9.980 1.00 0.00 O ATOM 463 CB LEU B 11 -0.665 2.131 -9.868 1.00 0.00 C ATOM 464 CG LEU B 11 -0.464 2.021 -8.338 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.515 1.076 -7.762 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.932 1.491 -7.978 1.00 0.00 C ATOM 0 H LEU B 11 -0.081 2.723 -12.214 1.00 0.00 H new ATOM 0 HA LEU B 11 1.342 1.367 -10.121 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.626 3.180 -10.162 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.658 1.764 -10.128 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.565 3.021 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.379 0.994 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.510 1.467 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.407 0.091 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.030 1.430 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.068 0.500 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.691 2.167 -8.373 1.00 0.00 H new ATOM 478 N VAL B 12 -0.719 -0.409 -11.900 1.00 0.00 N ATOM 479 CA VAL B 12 -1.180 -1.800 -12.133 1.00 0.00 C ATOM 480 C VAL B 12 0.015 -2.640 -12.588 1.00 0.00 C ATOM 481 O VAL B 12 0.249 -3.723 -12.088 1.00 0.00 O ATOM 482 CB VAL B 12 -2.276 -1.779 -13.205 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.345 -3.129 -13.927 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.623 -1.491 -12.537 1.00 0.00 C ATOM 0 H VAL B 12 -0.961 0.256 -12.635 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.589 -2.236 -11.222 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.045 -1.003 -13.935 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.128 -3.097 -14.685 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.387 -3.336 -14.404 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.569 -3.916 -13.207 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.408 -1.474 -13.293 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.840 -2.269 -11.806 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.581 -0.524 -12.036 1.00 0.00 H new ATOM 494 N GLU B 13 0.784 -2.144 -13.518 1.00 0.00 N ATOM 495 CA GLU B 13 1.969 -2.917 -13.975 1.00 0.00 C ATOM 496 C GLU B 13 2.877 -3.158 -12.771 1.00 0.00 C ATOM 497 O GLU B 13 3.588 -4.141 -12.699 1.00 0.00 O ATOM 498 CB GLU B 13 2.724 -2.125 -15.046 1.00 0.00 C ATOM 499 CG GLU B 13 2.033 -2.310 -16.399 1.00 0.00 C ATOM 500 CD GLU B 13 3.085 -2.557 -17.482 1.00 0.00 C ATOM 501 OE1 GLU B 13 4.260 -2.535 -17.153 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.698 -2.763 -18.619 1.00 0.00 O ATOM 0 H GLU B 13 0.644 -1.244 -13.977 1.00 0.00 H new ATOM 0 HA GLU B 13 1.654 -3.868 -14.404 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.751 -1.068 -14.781 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.758 -2.465 -15.104 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.340 -3.150 -16.353 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.446 -1.425 -16.643 1.00 0.00 H new ATOM 509 N ALA B 14 2.847 -2.268 -11.815 1.00 0.00 N ATOM 510 CA ALA B 14 3.693 -2.448 -10.604 1.00 0.00 C ATOM 511 C ALA B 14 3.219 -3.693 -9.857 1.00 0.00 C ATOM 512 O ALA B 14 3.973 -4.621 -9.637 1.00 0.00 O ATOM 513 CB ALA B 14 3.561 -1.223 -9.699 1.00 0.00 C ATOM 0 H ALA B 14 2.273 -1.425 -11.822 1.00 0.00 H new ATOM 0 HA ALA B 14 4.737 -2.564 -10.893 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.181 -1.357 -8.813 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.887 -0.334 -10.240 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.520 -1.103 -9.399 1.00 0.00 H new ATOM 519 N LEU B 15 1.970 -3.731 -9.477 1.00 0.00 N ATOM 520 CA LEU B 15 1.453 -4.929 -8.761 1.00 0.00 C ATOM 521 C LEU B 15 1.763 -6.167 -9.601 1.00 0.00 C ATOM 522 O LEU B 15 2.250 -7.165 -9.107 1.00 0.00 O ATOM 523 CB LEU B 15 -0.062 -4.808 -8.584 1.00 0.00 C ATOM 524 CG LEU B 15 -0.378 -3.708 -7.570 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.805 -3.208 -7.796 1.00 0.00 C ATOM 526 CD2 LEU B 15 -0.257 -4.270 -6.151 1.00 0.00 C ATOM 0 H LEU B 15 1.289 -2.987 -9.631 1.00 0.00 H new ATOM 0 HA LEU B 15 1.924 -5.008 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.532 -4.580 -9.541 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.475 -5.758 -8.245 1.00 0.00 H new ATOM 0 HG LEU B 15 0.325 -2.884 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.034 -2.423 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.895 -2.810 -8.807 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.505 -4.034 -7.668 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.482 -3.486 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.960 -5.093 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.758 -4.632 -5.988 1.00 0.00 H new ATOM 538 N TYR B 16 1.487 -6.102 -10.875 1.00 0.00 N ATOM 539 CA TYR B 16 1.765 -7.263 -11.764 1.00 0.00 C ATOM 540 C TYR B 16 3.229 -7.683 -11.613 1.00 0.00 C ATOM 541 O TYR B 16 3.536 -8.848 -11.450 1.00 0.00 O ATOM 542 CB TYR B 16 1.497 -6.863 -13.218 1.00 0.00 C ATOM 543 CG TYR B 16 0.363 -7.697 -13.777 1.00 0.00 C ATOM 544 CD1 TYR B 16 0.397 -9.096 -13.668 1.00 0.00 C ATOM 545 CD2 TYR B 16 -0.725 -7.073 -14.407 1.00 0.00 C ATOM 546 CE1 TYR B 16 -0.652 -9.865 -14.187 1.00 0.00 C ATOM 547 CE2 TYR B 16 -1.773 -7.845 -14.925 1.00 0.00 C ATOM 548 CZ TYR B 16 -1.736 -9.240 -14.815 1.00 0.00 C ATOM 549 OH TYR B 16 -2.769 -10.000 -15.327 1.00 0.00 O ATOM 0 H TYR B 16 1.079 -5.291 -11.339 1.00 0.00 H new ATOM 0 HA TYR B 16 1.119 -8.096 -11.489 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.244 -5.804 -13.273 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.396 -7.007 -13.817 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.232 -9.580 -13.184 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.754 -5.997 -14.493 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.625 -10.941 -14.103 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.610 -7.364 -15.409 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.441 -9.410 -15.728 1.00 0.00 H new ATOM 559 N LEU B 17 4.137 -6.745 -11.669 1.00 0.00 N ATOM 560 CA LEU B 17 5.581 -7.094 -11.532 1.00 0.00 C ATOM 561 C LEU B 17 5.917 -7.328 -10.061 1.00 0.00 C ATOM 562 O LEU B 17 6.877 -7.994 -9.729 1.00 0.00 O ATOM 563 CB LEU B 17 6.442 -5.951 -12.077 1.00 0.00 C ATOM 564 CG LEU B 17 6.951 -6.309 -13.474 1.00 0.00 C ATOM 565 CD1 LEU B 17 7.715 -7.635 -13.418 1.00 0.00 C ATOM 566 CD2 LEU B 17 5.762 -6.446 -14.429 1.00 0.00 C ATOM 0 H LEU B 17 3.941 -5.753 -11.804 1.00 0.00 H new ATOM 0 HA LEU B 17 5.785 -8.003 -12.098 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.859 -5.031 -12.117 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.283 -5.767 -11.409 1.00 0.00 H new ATOM 0 HG LEU B 17 7.617 -5.523 -13.830 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.077 -7.889 -14.414 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.561 -7.539 -12.738 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.051 -8.423 -13.062 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.123 -6.701 -15.425 1.00 0.00 H new ATOM 0 HD22 LEU B 17 5.097 -7.232 -14.072 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.218 -5.502 -14.471 1.00 0.00 H new ATOM 578 N VAL B 18 5.133 -6.785 -9.178 1.00 0.00 N ATOM 579 CA VAL B 18 5.401 -6.975 -7.728 1.00 0.00 C ATOM 580 C VAL B 18 4.807 -8.304 -7.275 1.00 0.00 C ATOM 581 O VAL B 18 5.493 -9.167 -6.764 1.00 0.00 O ATOM 582 CB VAL B 18 4.738 -5.849 -6.936 1.00 0.00 C ATOM 583 CG1 VAL B 18 4.790 -6.176 -5.442 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.475 -4.536 -7.203 1.00 0.00 C ATOM 0 H VAL B 18 4.315 -6.216 -9.397 1.00 0.00 H new ATOM 0 HA VAL B 18 6.477 -6.967 -7.557 1.00 0.00 H new ATOM 0 HB VAL B 18 3.698 -5.748 -7.246 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.317 -5.373 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.261 -7.111 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.829 -6.278 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.003 -3.732 -6.638 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.516 -4.634 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.433 -4.305 -8.267 1.00 0.00 H new ATOM 594 N CYS B 19 3.528 -8.463 -7.450 1.00 0.00 N ATOM 595 CA CYS B 19 2.867 -9.723 -7.022 1.00 0.00 C ATOM 596 C CYS B 19 2.368 -10.481 -8.257 1.00 0.00 C ATOM 597 O CYS B 19 1.185 -10.699 -8.425 1.00 0.00 O ATOM 598 CB CYS B 19 1.676 -9.390 -6.119 1.00 0.00 C ATOM 599 SG CYS B 19 2.033 -7.915 -5.131 1.00 0.00 S ATOM 0 H CYS B 19 2.909 -7.771 -7.873 1.00 0.00 H new ATOM 0 HA CYS B 19 3.580 -10.341 -6.476 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.786 -9.224 -6.726 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.461 -10.233 -5.462 1.00 0.00 H new ATOM 604 N GLY B 20 3.257 -10.874 -9.127 1.00 0.00 N ATOM 605 CA GLY B 20 2.828 -11.607 -10.354 1.00 0.00 C ATOM 606 C GLY B 20 2.274 -12.984 -9.980 1.00 0.00 C ATOM 607 O GLY B 20 1.205 -13.371 -10.410 1.00 0.00 O ATOM 0 H GLY B 20 4.262 -10.720 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.068 -11.032 -10.883 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.673 -11.719 -11.034 1.00 0.00 H new ATOM 611 N GLU B 21 2.995 -13.731 -9.191 1.00 0.00 N ATOM 612 CA GLU B 21 2.513 -15.088 -8.800 1.00 0.00 C ATOM 613 C GLU B 21 1.322 -14.964 -7.843 1.00 0.00 C ATOM 614 O GLU B 21 0.188 -15.185 -8.219 1.00 0.00 O ATOM 615 CB GLU B 21 3.646 -15.846 -8.106 1.00 0.00 C ATOM 616 CG GLU B 21 4.865 -15.907 -9.030 1.00 0.00 C ATOM 617 CD GLU B 21 4.594 -16.889 -10.171 1.00 0.00 C ATOM 618 OE1 GLU B 21 4.559 -18.080 -9.905 1.00 0.00 O ATOM 619 OE2 GLU B 21 4.429 -16.435 -11.291 1.00 0.00 O ATOM 0 H GLU B 21 3.897 -13.462 -8.799 1.00 0.00 H new ATOM 0 HA GLU B 21 2.199 -15.629 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.910 -15.350 -7.172 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.320 -16.854 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.079 -14.917 -9.432 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.745 -16.220 -8.468 1.00 0.00 H new ATOM 626 N ARG B 22 1.576 -14.616 -6.610 1.00 0.00 N ATOM 627 CA ARG B 22 0.469 -14.479 -5.619 1.00 0.00 C ATOM 628 C ARG B 22 -0.739 -13.803 -6.275 1.00 0.00 C ATOM 629 O ARG B 22 -1.869 -14.013 -5.882 1.00 0.00 O ATOM 630 CB ARG B 22 0.947 -13.624 -4.443 1.00 0.00 C ATOM 631 CG ARG B 22 1.275 -14.523 -3.250 1.00 0.00 C ATOM 632 CD ARG B 22 2.466 -13.938 -2.486 1.00 0.00 C ATOM 633 NE ARG B 22 2.146 -13.885 -1.032 1.00 0.00 N ATOM 634 CZ ARG B 22 3.097 -13.674 -0.162 1.00 0.00 C ATOM 635 NH1 ARG B 22 3.978 -14.606 0.080 1.00 0.00 N ATOM 636 NH2 ARG B 22 3.168 -12.531 0.463 1.00 0.00 N ATOM 0 H ARG B 22 2.508 -14.420 -6.245 1.00 0.00 H new ATOM 0 HA ARG B 22 0.179 -15.469 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.828 -13.051 -4.732 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.176 -12.905 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.410 -14.603 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.508 -15.531 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.353 -14.549 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.693 -12.938 -2.856 1.00 0.00 H new ATOM 0 HE ARG B 22 1.185 -14.013 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.924 -15.499 -0.410 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.721 -14.442 0.759 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.481 -11.802 0.272 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.911 -12.367 1.142 1.00 0.00 H new ATOM 650 N GLY B 23 -0.508 -12.987 -7.266 1.00 0.00 N ATOM 651 CA GLY B 23 -1.642 -12.295 -7.939 1.00 0.00 C ATOM 652 C GLY B 23 -1.835 -10.917 -7.309 1.00 0.00 C ATOM 653 O GLY B 23 -0.922 -10.360 -6.735 1.00 0.00 O ATOM 0 H GLY B 23 0.416 -12.770 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.441 -12.195 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.554 -12.884 -7.840 1.00 0.00 H new ATOM 657 N PHE B 24 -3.019 -10.373 -7.395 1.00 0.00 N ATOM 658 CA PHE B 24 -3.277 -9.026 -6.787 1.00 0.00 C ATOM 659 C PHE B 24 -4.694 -8.562 -7.142 1.00 0.00 C ATOM 660 O PHE B 24 -5.351 -9.134 -7.989 1.00 0.00 O ATOM 661 CB PHE B 24 -2.244 -7.992 -7.293 1.00 0.00 C ATOM 662 CG PHE B 24 -2.681 -7.386 -8.622 1.00 0.00 C ATOM 663 CD1 PHE B 24 -3.593 -6.310 -8.649 1.00 0.00 C ATOM 664 CD2 PHE B 24 -2.179 -7.895 -9.831 1.00 0.00 C ATOM 665 CE1 PHE B 24 -3.989 -5.758 -9.874 1.00 0.00 C ATOM 666 CE2 PHE B 24 -2.580 -7.339 -11.051 1.00 0.00 C ATOM 667 CZ PHE B 24 -3.484 -6.273 -11.073 1.00 0.00 C ATOM 0 H PHE B 24 -3.821 -10.799 -7.859 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.182 -9.108 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.122 -7.202 -6.552 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.272 -8.471 -7.410 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.986 -5.912 -7.725 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.481 -8.719 -9.819 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.686 -4.933 -9.893 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.190 -7.734 -11.977 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.793 -5.847 -12.016 1.00 0.00 H new ATOM 677 N PHE B 25 -5.166 -7.529 -6.500 1.00 0.00 N ATOM 678 CA PHE B 25 -6.535 -7.027 -6.799 1.00 0.00 C ATOM 679 C PHE B 25 -6.543 -5.497 -6.721 1.00 0.00 C ATOM 680 O PHE B 25 -6.335 -4.916 -5.674 1.00 0.00 O ATOM 681 CB PHE B 25 -7.525 -7.608 -5.784 1.00 0.00 C ATOM 682 CG PHE B 25 -7.355 -6.922 -4.448 1.00 0.00 C ATOM 683 CD1 PHE B 25 -6.378 -7.366 -3.547 1.00 0.00 C ATOM 684 CD2 PHE B 25 -8.178 -5.839 -4.110 1.00 0.00 C ATOM 685 CE1 PHE B 25 -6.225 -6.728 -2.308 1.00 0.00 C ATOM 686 CE2 PHE B 25 -8.025 -5.202 -2.871 1.00 0.00 C ATOM 687 CZ PHE B 25 -7.049 -5.645 -1.971 1.00 0.00 C ATOM 0 H PHE B 25 -4.662 -7.011 -5.781 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.829 -7.337 -7.802 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.546 -7.477 -6.143 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.361 -8.680 -5.676 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.743 -8.200 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.930 -5.495 -4.804 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.472 -7.071 -1.613 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.661 -4.369 -2.611 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.931 -5.153 -1.017 1.00 0.00 H new ATOM 697 N TYR B 26 -6.773 -4.840 -7.824 1.00 0.00 N ATOM 698 CA TYR B 26 -6.785 -3.350 -7.816 1.00 0.00 C ATOM 699 C TYR B 26 -7.846 -2.845 -6.836 1.00 0.00 C ATOM 700 O TYR B 26 -8.881 -3.456 -6.652 1.00 0.00 O ATOM 701 CB TYR B 26 -7.102 -2.840 -9.222 1.00 0.00 C ATOM 702 CG TYR B 26 -6.210 -1.665 -9.543 1.00 0.00 C ATOM 703 CD1 TYR B 26 -4.846 -1.713 -9.224 1.00 0.00 C ATOM 704 CD2 TYR B 26 -6.746 -0.526 -10.159 1.00 0.00 C ATOM 705 CE1 TYR B 26 -4.018 -0.621 -9.522 1.00 0.00 C ATOM 706 CE2 TYR B 26 -5.918 0.565 -10.456 1.00 0.00 C ATOM 707 CZ TYR B 26 -4.555 0.517 -10.137 1.00 0.00 C ATOM 708 OH TYR B 26 -3.740 1.591 -10.432 1.00 0.00 O ATOM 0 H TYR B 26 -6.953 -5.271 -8.731 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.808 -2.982 -7.504 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.951 -3.635 -9.952 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.149 -2.544 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.433 -2.590 -8.749 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.797 -0.489 -10.405 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.967 -0.658 -9.277 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.331 1.443 -10.931 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.844 1.831 -11.376 1.00 0.00 H new