USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 319 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 17 CYS SG : rot -20:sc=0.000851 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.87) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0931 X(o=-0.093,f=-0.037) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00104 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0424 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -2.96! C(o=-3!,f=-6.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00834 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.0732 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 150:sc= -1.24 USER MOD ----------------------------------------------------------------- ATOM 26 N CYS A 17 -2.084 -8.037 3.800 1.00 0.00 N ATOM 27 CA CYS A 17 -2.016 -6.586 3.809 1.00 0.00 C ATOM 28 C CYS A 17 -0.925 -6.125 4.759 1.00 0.00 C ATOM 29 O CYS A 17 -0.775 -6.662 5.857 1.00 0.00 O ATOM 30 CB CYS A 17 -3.360 -5.976 4.217 1.00 0.00 C ATOM 31 SG CYS A 17 -4.179 -6.820 5.592 1.00 0.00 S ATOM 0 HA CYS A 17 -1.781 -6.248 2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.203 -4.932 4.489 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.026 -5.984 3.354 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.695 -8.020 5.714 1.00 0.00 H new ATOM 37 N GLU A 18 -0.164 -5.131 4.334 1.00 0.00 N ATOM 38 CA GLU A 18 0.919 -4.599 5.152 1.00 0.00 C ATOM 39 C GLU A 18 0.795 -3.096 5.277 1.00 0.00 C ATOM 40 O GLU A 18 0.327 -2.435 4.366 1.00 0.00 O ATOM 41 CB GLU A 18 2.279 -4.967 4.558 1.00 0.00 C ATOM 42 CG GLU A 18 3.462 -4.428 5.348 1.00 0.00 C ATOM 43 CD GLU A 18 3.477 -4.919 6.782 1.00 0.00 C ATOM 44 OE1 GLU A 18 3.893 -6.075 7.010 1.00 0.00 O ATOM 45 OE2 GLU A 18 3.072 -4.149 7.678 1.00 0.00 O ATOM 0 H GLU A 18 -0.274 -4.675 3.428 1.00 0.00 H new ATOM 0 HA GLU A 18 0.845 -5.043 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.358 -6.053 4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.333 -4.588 3.537 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.388 -4.725 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.433 -3.338 5.341 1.00 0.00 H new ATOM 52 N LEU A 19 1.224 -2.562 6.402 1.00 0.00 N ATOM 53 CA LEU A 19 1.151 -1.118 6.615 1.00 0.00 C ATOM 54 C LEU A 19 2.274 -0.415 5.871 1.00 0.00 C ATOM 55 O LEU A 19 3.440 -0.796 5.962 1.00 0.00 O ATOM 56 CB LEU A 19 1.205 -0.745 8.098 1.00 0.00 C ATOM 57 CG LEU A 19 0.682 -1.800 9.073 1.00 0.00 C ATOM 58 CD1 LEU A 19 0.622 -1.235 10.483 1.00 0.00 C ATOM 59 CD2 LEU A 19 -0.690 -2.300 8.640 1.00 0.00 C ATOM 0 H LEU A 19 1.623 -3.091 7.177 1.00 0.00 H new ATOM 0 HA LEU A 19 0.188 -0.789 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.239 -0.519 8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.632 0.171 8.243 1.00 0.00 H new ATOM 0 HG LEU A 19 1.371 -2.645 9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.248 -1.998 11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.620 -0.928 10.795 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.045 -0.373 10.502 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.044 -3.050 9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.390 -1.465 8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.619 -2.743 7.647 1.00 0.00 H new ATOM 71 N THR A 20 1.898 0.613 5.132 1.00 0.00 N ATOM 72 CA THR A 20 2.845 1.392 4.350 1.00 0.00 C ATOM 73 C THR A 20 2.505 2.875 4.413 1.00 0.00 C ATOM 74 O THR A 20 1.349 3.252 4.612 1.00 0.00 O ATOM 75 CB THR A 20 2.867 0.915 2.896 1.00 0.00 C ATOM 76 OG1 THR A 20 3.877 1.585 2.164 1.00 0.00 O ATOM 77 CG2 THR A 20 1.557 1.130 2.169 1.00 0.00 C ATOM 0 H THR A 20 0.932 0.932 5.056 1.00 0.00 H new ATOM 0 HA THR A 20 3.837 1.246 4.778 1.00 0.00 H new ATOM 0 HB THR A 20 3.060 -0.156 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.876 1.265 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.646 0.769 1.144 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.764 0.583 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.317 2.193 2.159 1.00 0.00 H new ATOM 85 N VAL A 21 3.516 3.709 4.230 1.00 0.00 N ATOM 86 CA VAL A 21 3.339 5.150 4.251 1.00 0.00 C ATOM 87 C VAL A 21 3.703 5.731 2.898 1.00 0.00 C ATOM 88 O VAL A 21 4.752 5.407 2.341 1.00 0.00 O ATOM 89 CB VAL A 21 4.205 5.822 5.335 1.00 0.00 C ATOM 90 CG1 VAL A 21 3.541 5.714 6.698 1.00 0.00 C ATOM 91 CG2 VAL A 21 5.608 5.230 5.370 1.00 0.00 C ATOM 0 H VAL A 21 4.476 3.408 4.064 1.00 0.00 H new ATOM 0 HA VAL A 21 2.292 5.347 4.481 1.00 0.00 H new ATOM 0 HB VAL A 21 4.296 6.878 5.080 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.169 6.195 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.569 6.206 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.408 4.663 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.193 5.726 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.548 4.164 5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.089 5.377 4.403 1.00 0.00 H new ATOM 101 N VAL A 22 2.837 6.576 2.359 1.00 0.00 N ATOM 102 CA VAL A 22 3.093 7.168 1.066 1.00 0.00 C ATOM 103 C VAL A 22 4.179 8.226 1.146 1.00 0.00 C ATOM 104 O VAL A 22 4.114 9.144 1.964 1.00 0.00 O ATOM 105 CB VAL A 22 1.832 7.780 0.422 1.00 0.00 C ATOM 106 CG1 VAL A 22 1.129 6.751 -0.440 1.00 0.00 C ATOM 107 CG2 VAL A 22 0.877 8.366 1.453 1.00 0.00 C ATOM 0 H VAL A 22 1.961 6.862 2.796 1.00 0.00 H new ATOM 0 HA VAL A 22 3.428 6.348 0.431 1.00 0.00 H new ATOM 0 HB VAL A 22 2.160 8.607 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.241 7.197 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.803 6.415 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.837 5.900 0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.007 8.783 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.556 7.582 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.383 9.153 2.012 1.00 0.00 H new ATOM 117 N LEU A 23 5.183 8.081 0.294 1.00 0.00 N ATOM 118 CA LEU A 23 6.293 9.012 0.267 1.00 0.00 C ATOM 119 C LEU A 23 5.918 10.314 -0.435 1.00 0.00 C ATOM 120 O LEU A 23 6.544 11.348 -0.208 1.00 0.00 O ATOM 121 CB LEU A 23 7.516 8.385 -0.413 1.00 0.00 C ATOM 122 CG LEU A 23 7.687 6.876 -0.210 1.00 0.00 C ATOM 123 CD1 LEU A 23 9.001 6.403 -0.810 1.00 0.00 C ATOM 124 CD2 LEU A 23 7.617 6.523 1.269 1.00 0.00 C ATOM 0 H LEU A 23 5.249 7.325 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 23 6.544 9.244 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.456 8.585 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.411 8.887 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 23 6.871 6.366 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.105 5.329 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.012 6.620 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.829 6.921 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.741 5.447 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.411 7.043 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.650 6.825 1.670 1.00 0.00 H new ATOM 136 N GLN A 24 4.907 10.264 -1.300 1.00 0.00 N ATOM 137 CA GLN A 24 4.475 11.440 -2.024 1.00 0.00 C ATOM 138 C GLN A 24 2.955 11.439 -2.191 1.00 0.00 C ATOM 139 O GLN A 24 2.337 10.378 -2.271 1.00 0.00 O ATOM 140 CB GLN A 24 5.201 11.489 -3.371 1.00 0.00 C ATOM 141 CG GLN A 24 4.661 10.562 -4.441 1.00 0.00 C ATOM 142 CD GLN A 24 4.922 11.076 -5.843 1.00 0.00 C ATOM 143 OE1 GLN A 24 3.993 11.425 -6.572 1.00 0.00 O ATOM 144 NE2 GLN A 24 6.192 11.126 -6.228 1.00 0.00 N ATOM 0 H GLN A 24 4.377 9.419 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 24 4.729 12.339 -1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.161 12.511 -3.748 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.252 11.251 -3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.117 9.578 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.588 10.435 -4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.930 10.827 -5.591 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.429 11.464 -7.161 1.00 0.00 H new ATOM 153 N ASP A 25 2.356 12.624 -2.251 1.00 0.00 N ATOM 154 CA ASP A 25 0.909 12.719 -2.418 1.00 0.00 C ATOM 155 C ASP A 25 0.528 12.220 -3.802 1.00 0.00 C ATOM 156 O ASP A 25 1.281 12.373 -4.764 1.00 0.00 O ATOM 157 CB ASP A 25 0.351 14.148 -2.233 1.00 0.00 C ATOM 158 CG ASP A 25 1.338 15.153 -1.658 1.00 0.00 C ATOM 159 OD1 ASP A 25 1.472 15.210 -0.416 1.00 0.00 O ATOM 160 OD2 ASP A 25 1.973 15.881 -2.448 1.00 0.00 O ATOM 0 H ASP A 25 2.840 13.519 -2.188 1.00 0.00 H new ATOM 0 HA ASP A 25 0.469 12.103 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.004 14.514 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.519 14.100 -1.578 1.00 0.00 H new ATOM 165 N PHE A 26 -0.643 11.631 -3.886 1.00 0.00 N ATOM 166 CA PHE A 26 -1.150 11.106 -5.140 1.00 0.00 C ATOM 167 C PHE A 26 -2.645 11.276 -5.233 1.00 0.00 C ATOM 168 O PHE A 26 -3.335 11.316 -4.225 1.00 0.00 O ATOM 169 CB PHE A 26 -0.813 9.630 -5.292 1.00 0.00 C ATOM 170 CG PHE A 26 -1.096 9.096 -6.668 1.00 0.00 C ATOM 171 CD1 PHE A 26 -0.164 9.234 -7.684 1.00 0.00 C ATOM 172 CD2 PHE A 26 -2.295 8.457 -6.945 1.00 0.00 C ATOM 173 CE1 PHE A 26 -0.423 8.745 -8.950 1.00 0.00 C ATOM 174 CE2 PHE A 26 -2.559 7.967 -8.209 1.00 0.00 C ATOM 175 CZ PHE A 26 -1.622 8.111 -9.213 1.00 0.00 C ATOM 0 H PHE A 26 -1.271 11.501 -3.093 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.671 11.670 -5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.241 9.479 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.385 9.057 -4.562 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.775 9.729 -7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.031 8.341 -6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.311 8.858 -9.734 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.497 7.472 -8.412 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.826 7.729 -10.202 1.00 0.00 H new ATOM 185 N SER A 27 -3.140 11.364 -6.447 1.00 0.00 N ATOM 186 CA SER A 27 -4.542 11.498 -6.685 1.00 0.00 C ATOM 187 C SER A 27 -4.993 10.389 -7.620 1.00 0.00 C ATOM 188 O SER A 27 -4.301 10.055 -8.582 1.00 0.00 O ATOM 189 CB SER A 27 -4.819 12.851 -7.300 1.00 0.00 C ATOM 190 OG SER A 27 -3.710 13.312 -8.051 1.00 0.00 O ATOM 0 H SER A 27 -2.572 11.344 -7.294 1.00 0.00 H new ATOM 0 HA SER A 27 -5.092 11.420 -5.747 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.696 12.787 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.052 13.569 -6.514 1.00 0.00 H new ATOM 0 HG SER A 27 -3.918 14.188 -8.438 1.00 0.00 H new ATOM 196 N ALA A 28 -6.130 9.799 -7.308 1.00 0.00 N ATOM 197 CA ALA A 28 -6.671 8.700 -8.080 1.00 0.00 C ATOM 198 C ALA A 28 -6.723 8.965 -9.578 1.00 0.00 C ATOM 199 O ALA A 28 -6.266 9.997 -10.070 1.00 0.00 O ATOM 200 CB ALA A 28 -8.057 8.359 -7.581 1.00 0.00 C ATOM 0 H ALA A 28 -6.705 10.069 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.988 7.863 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.460 7.532 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.005 8.071 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.706 9.228 -7.687 1.00 0.00 H new ATOM 206 N ALA A 29 -7.298 7.998 -10.288 1.00 0.00 N ATOM 207 CA ALA A 29 -7.446 8.057 -11.738 1.00 0.00 C ATOM 208 C ALA A 29 -7.952 6.721 -12.270 1.00 0.00 C ATOM 209 O ALA A 29 -8.665 6.674 -13.272 1.00 0.00 O ATOM 210 CB ALA A 29 -6.127 8.427 -12.412 1.00 0.00 C ATOM 0 H ALA A 29 -7.676 7.147 -9.871 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.175 8.833 -11.972 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.268 8.463 -13.492 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.798 9.403 -12.056 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.372 7.679 -12.170 1.00 0.00 H new ATOM 216 N HIS A 30 -7.575 5.632 -11.596 1.00 0.00 N ATOM 217 CA HIS A 30 -7.993 4.302 -12.011 1.00 0.00 C ATOM 218 C HIS A 30 -9.080 3.736 -11.097 1.00 0.00 C ATOM 219 O HIS A 30 -9.494 4.359 -10.114 1.00 0.00 O ATOM 220 CB HIS A 30 -6.797 3.349 -12.062 1.00 0.00 C ATOM 221 CG HIS A 30 -6.793 2.458 -13.266 1.00 0.00 C ATOM 222 ND1 HIS A 30 -6.753 1.083 -13.184 1.00 0.00 N ATOM 223 CD2 HIS A 30 -6.829 2.754 -14.587 1.00 0.00 C ATOM 224 CE1 HIS A 30 -6.763 0.571 -14.403 1.00 0.00 C ATOM 225 NE2 HIS A 30 -6.809 1.563 -15.272 1.00 0.00 N ATOM 0 H HIS A 30 -6.984 5.650 -10.765 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.415 4.395 -13.012 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.877 3.933 -12.049 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.796 2.732 -11.163 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.866 3.742 -15.021 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.738 -0.481 -14.646 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.827 1.462 -16.287 1.00 0.00 H new ATOM 234 N SER A 31 -9.538 2.541 -11.445 1.00 0.00 N ATOM 235 CA SER A 31 -10.594 1.847 -10.706 1.00 0.00 C ATOM 236 C SER A 31 -10.371 1.877 -9.198 1.00 0.00 C ATOM 237 O SER A 31 -11.118 2.523 -8.464 1.00 0.00 O ATOM 238 CB SER A 31 -10.698 0.396 -11.180 1.00 0.00 C ATOM 239 OG SER A 31 -11.261 0.323 -12.478 1.00 0.00 O ATOM 0 H SER A 31 -9.189 2.021 -12.250 1.00 0.00 H new ATOM 0 HA SER A 31 -11.525 2.376 -10.909 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.708 -0.061 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.310 -0.175 -10.482 1.00 0.00 H new ATOM 0 HG SER A 31 -11.315 -0.614 -12.759 1.00 0.00 H new ATOM 245 N SER A 32 -9.351 1.166 -8.743 1.00 0.00 N ATOM 246 CA SER A 32 -9.048 1.102 -7.323 1.00 0.00 C ATOM 247 C SER A 32 -8.047 2.180 -6.911 1.00 0.00 C ATOM 248 O SER A 32 -7.125 1.912 -6.143 1.00 0.00 O ATOM 249 CB SER A 32 -8.507 -0.285 -6.962 1.00 0.00 C ATOM 250 OG SER A 32 -8.871 -1.246 -7.938 1.00 0.00 O ATOM 0 H SER A 32 -8.720 0.626 -9.336 1.00 0.00 H new ATOM 0 HA SER A 32 -9.974 1.282 -6.777 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.421 -0.244 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.893 -0.587 -5.988 1.00 0.00 H new ATOM 0 HG SER A 32 -8.512 -2.122 -7.685 1.00 0.00 H new ATOM 256 N GLU A 33 -8.223 3.400 -7.425 1.00 0.00 N ATOM 257 CA GLU A 33 -7.333 4.490 -7.098 1.00 0.00 C ATOM 258 C GLU A 33 -7.995 5.487 -6.164 1.00 0.00 C ATOM 259 O GLU A 33 -9.217 5.635 -6.157 1.00 0.00 O ATOM 260 CB GLU A 33 -6.913 5.194 -8.375 1.00 0.00 C ATOM 261 CG GLU A 33 -5.701 4.573 -9.007 1.00 0.00 C ATOM 262 CD GLU A 33 -4.718 5.592 -9.550 1.00 0.00 C ATOM 263 OE1 GLU A 33 -5.162 6.553 -10.209 1.00 0.00 O ATOM 264 OE2 GLU A 33 -3.502 5.425 -9.318 1.00 0.00 O ATOM 0 H GLU A 33 -8.976 3.646 -8.067 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.461 4.078 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.739 5.173 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.707 6.242 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.196 3.948 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.018 3.917 -9.818 1.00 0.00 H new ATOM 271 N LEU A 34 -7.177 6.184 -5.392 1.00 0.00 N ATOM 272 CA LEU A 34 -7.666 7.185 -4.471 1.00 0.00 C ATOM 273 C LEU A 34 -6.600 8.241 -4.237 1.00 0.00 C ATOM 274 O LEU A 34 -5.439 8.046 -4.587 1.00 0.00 O ATOM 275 CB LEU A 34 -8.091 6.558 -3.149 1.00 0.00 C ATOM 276 CG LEU A 34 -7.354 5.286 -2.723 1.00 0.00 C ATOM 277 CD1 LEU A 34 -6.102 5.627 -1.951 1.00 0.00 C ATOM 278 CD2 LEU A 34 -8.260 4.443 -1.858 1.00 0.00 C ATOM 0 H LEU A 34 -6.163 6.070 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.543 7.656 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.966 7.303 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.156 6.331 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.073 4.732 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.594 4.708 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.440 6.224 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.368 6.195 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.734 3.537 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.547 5.009 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.153 4.173 -2.422 1.00 0.00 H new ATOM 290 N SER A 35 -6.998 9.357 -3.652 1.00 0.00 N ATOM 291 CA SER A 35 -6.082 10.431 -3.378 1.00 0.00 C ATOM 292 C SER A 35 -5.441 10.252 -2.018 1.00 0.00 C ATOM 293 O SER A 35 -6.117 10.124 -0.998 1.00 0.00 O ATOM 294 CB SER A 35 -6.784 11.778 -3.446 1.00 0.00 C ATOM 295 OG SER A 35 -8.121 11.684 -2.983 1.00 0.00 O ATOM 0 H SER A 35 -7.958 9.536 -3.359 1.00 0.00 H new ATOM 0 HA SER A 35 -5.304 10.407 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.239 12.506 -2.845 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.777 12.143 -4.473 1.00 0.00 H new ATOM 0 HG SER A 35 -8.548 12.564 -3.036 1.00 0.00 H new ATOM 301 N ILE A 36 -4.128 10.240 -2.031 1.00 0.00 N ATOM 302 CA ILE A 36 -3.339 10.074 -0.828 1.00 0.00 C ATOM 303 C ILE A 36 -2.354 11.224 -0.675 1.00 0.00 C ATOM 304 O ILE A 36 -2.115 11.983 -1.613 1.00 0.00 O ATOM 305 CB ILE A 36 -2.565 8.735 -0.836 1.00 0.00 C ATOM 306 CG1 ILE A 36 -2.051 8.416 -2.252 1.00 0.00 C ATOM 307 CG2 ILE A 36 -3.437 7.607 -0.286 1.00 0.00 C ATOM 308 CD1 ILE A 36 -3.102 7.877 -3.206 1.00 0.00 C ATOM 0 H ILE A 36 -3.573 10.346 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.030 10.069 0.015 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.697 8.829 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.623 9.322 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.244 7.688 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.875 6.673 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.730 7.840 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.329 7.503 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.646 7.682 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.515 6.951 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.900 8.611 -3.320 1.00 0.00 H new ATOM 320 N GLN A 37 -1.800 11.349 0.517 1.00 0.00 N ATOM 321 CA GLN A 37 -0.856 12.399 0.824 1.00 0.00 C ATOM 322 C GLN A 37 0.387 11.853 1.509 1.00 0.00 C ATOM 323 O GLN A 37 0.325 10.895 2.274 1.00 0.00 O ATOM 324 CB GLN A 37 -1.525 13.440 1.706 1.00 0.00 C ATOM 325 CG GLN A 37 -2.149 14.585 0.927 1.00 0.00 C ATOM 326 CD GLN A 37 -3.588 14.854 1.324 1.00 0.00 C ATOM 327 OE1 GLN A 37 -3.855 15.609 2.259 1.00 0.00 O ATOM 328 NE2 GLN A 37 -4.523 14.235 0.613 1.00 0.00 N ATOM 0 H GLN A 37 -1.995 10.723 1.298 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.540 12.858 -0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.296 12.956 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.788 13.843 2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.559 15.488 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.108 14.358 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.256 13.618 -0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.509 14.377 0.834 1.00 0.00 H new ATOM 337 N VAL A 38 1.512 12.486 1.228 1.00 0.00 N ATOM 338 CA VAL A 38 2.791 12.093 1.804 1.00 0.00 C ATOM 339 C VAL A 38 2.767 12.178 3.334 1.00 0.00 C ATOM 340 O VAL A 38 2.491 13.239 3.896 1.00 0.00 O ATOM 341 CB VAL A 38 3.922 13.002 1.277 1.00 0.00 C ATOM 342 CG1 VAL A 38 3.632 14.460 1.603 1.00 0.00 C ATOM 343 CG2 VAL A 38 5.275 12.584 1.841 1.00 0.00 C ATOM 0 H VAL A 38 1.568 13.285 0.596 1.00 0.00 H new ATOM 0 HA VAL A 38 2.973 11.060 1.508 1.00 0.00 H new ATOM 0 HB VAL A 38 3.964 12.891 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.440 15.085 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.693 14.757 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.555 14.583 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.051 13.243 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.253 12.653 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.490 11.557 1.547 1.00 0.00 H new ATOM 353 N GLY A 39 3.096 11.074 4.002 1.00 0.00 N ATOM 354 CA GLY A 39 3.143 11.081 5.457 1.00 0.00 C ATOM 355 C GLY A 39 2.098 10.215 6.126 1.00 0.00 C ATOM 356 O GLY A 39 2.284 9.790 7.267 1.00 0.00 O ATOM 0 H GLY A 39 3.329 10.181 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.130 10.748 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.024 12.107 5.806 1.00 0.00 H new ATOM 360 N GLN A 40 0.995 9.965 5.443 1.00 0.00 N ATOM 361 CA GLN A 40 -0.068 9.166 6.006 1.00 0.00 C ATOM 362 C GLN A 40 0.276 7.684 6.009 1.00 0.00 C ATOM 363 O GLN A 40 1.257 7.256 5.402 1.00 0.00 O ATOM 364 CB GLN A 40 -1.357 9.421 5.247 1.00 0.00 C ATOM 365 CG GLN A 40 -1.379 8.805 3.877 1.00 0.00 C ATOM 366 CD GLN A 40 -2.609 9.179 3.080 1.00 0.00 C ATOM 367 OE1 GLN A 40 -2.830 10.350 2.770 1.00 0.00 O ATOM 368 NE2 GLN A 40 -3.417 8.185 2.745 1.00 0.00 N ATOM 0 H GLN A 40 0.816 10.306 4.498 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.200 9.462 7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.193 9.030 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.508 10.497 5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.490 9.118 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.330 7.720 3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.193 7.230 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.263 8.375 2.208 1.00 0.00 H new ATOM 377 N THR A 41 -0.555 6.905 6.688 1.00 0.00 N ATOM 378 CA THR A 41 -0.356 5.462 6.762 1.00 0.00 C ATOM 379 C THR A 41 -1.547 4.710 6.206 1.00 0.00 C ATOM 380 O THR A 41 -2.652 4.779 6.746 1.00 0.00 O ATOM 381 CB THR A 41 -0.104 4.975 8.203 1.00 0.00 C ATOM 382 OG1 THR A 41 1.188 5.358 8.646 1.00 0.00 O ATOM 383 CG2 THR A 41 -0.226 3.450 8.362 1.00 0.00 C ATOM 0 H THR A 41 -1.372 7.246 7.195 1.00 0.00 H new ATOM 0 HA THR A 41 0.529 5.256 6.160 1.00 0.00 H new ATOM 0 HB THR A 41 -0.880 5.446 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.327 5.041 9.563 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.037 3.176 9.400 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.231 3.134 8.081 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.503 2.958 7.718 1.00 0.00 H new ATOM 391 N VAL A 42 -1.291 3.931 5.183 1.00 0.00 N ATOM 392 CA VAL A 42 -2.301 3.090 4.615 1.00 0.00 C ATOM 393 C VAL A 42 -1.673 1.739 4.304 1.00 0.00 C ATOM 394 O VAL A 42 -0.534 1.652 3.851 1.00 0.00 O ATOM 395 CB VAL A 42 -2.981 3.736 3.380 1.00 0.00 C ATOM 396 CG1 VAL A 42 -3.310 2.705 2.331 1.00 0.00 C ATOM 397 CG2 VAL A 42 -4.256 4.456 3.790 1.00 0.00 C ATOM 0 H VAL A 42 -0.381 3.866 4.727 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.109 2.952 5.333 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.275 4.452 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.785 3.191 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.394 2.214 2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.989 1.963 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.720 4.903 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.947 3.744 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.017 5.237 4.511 1.00 0.00 H new ATOM 407 N GLU A 43 -2.425 0.699 4.584 1.00 0.00 N ATOM 408 CA GLU A 43 -1.958 -0.653 4.375 1.00 0.00 C ATOM 409 C GLU A 43 -2.040 -1.064 2.907 1.00 0.00 C ATOM 410 O GLU A 43 -3.074 -0.915 2.268 1.00 0.00 O ATOM 411 CB GLU A 43 -2.789 -1.617 5.218 1.00 0.00 C ATOM 412 CG GLU A 43 -4.255 -1.658 4.812 1.00 0.00 C ATOM 413 CD GLU A 43 -5.131 -2.334 5.847 1.00 0.00 C ATOM 414 OE1 GLU A 43 -4.643 -3.267 6.521 1.00 0.00 O ATOM 415 OE2 GLU A 43 -6.306 -1.932 5.986 1.00 0.00 O ATOM 0 H GLU A 43 -3.371 0.765 4.960 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.911 -0.692 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.367 -2.619 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.717 -1.327 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.611 -0.641 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.350 -2.184 3.862 1.00 0.00 H new ATOM 422 N LEU A 44 -0.943 -1.594 2.380 1.00 0.00 N ATOM 423 CA LEU A 44 -0.905 -2.035 1.009 1.00 0.00 C ATOM 424 C LEU A 44 -1.679 -3.315 0.823 1.00 0.00 C ATOM 425 O LEU A 44 -1.725 -4.177 1.715 1.00 0.00 O ATOM 426 CB LEU A 44 0.515 -2.234 0.515 1.00 0.00 C ATOM 427 CG LEU A 44 1.427 -3.082 1.414 1.00 0.00 C ATOM 428 CD1 LEU A 44 1.592 -4.483 0.841 1.00 0.00 C ATOM 429 CD2 LEU A 44 2.783 -2.414 1.591 1.00 0.00 C ATOM 0 H LEU A 44 -0.070 -1.725 2.891 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.370 -1.244 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.474 -2.699 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.975 -1.254 0.386 1.00 0.00 H new ATOM 0 HG LEU A 44 0.957 -3.164 2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.241 -5.068 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.617 -4.965 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.036 -4.420 -0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.412 -3.032 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.260 -2.296 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.649 -1.435 2.051 1.00 0.00 H new ATOM 441 N LEU A 45 -2.271 -3.417 -0.358 1.00 0.00 N ATOM 442 CA LEU A 45 -3.066 -4.574 -0.737 1.00 0.00 C ATOM 443 C LEU A 45 -2.166 -5.764 -1.057 1.00 0.00 C ATOM 444 O LEU A 45 -2.310 -6.832 -0.468 1.00 0.00 O ATOM 445 CB LEU A 45 -3.956 -4.250 -1.945 1.00 0.00 C ATOM 446 CG LEU A 45 -4.623 -2.865 -1.940 1.00 0.00 C ATOM 447 CD1 LEU A 45 -5.087 -2.497 -3.346 1.00 0.00 C ATOM 448 CD2 LEU A 45 -5.797 -2.836 -0.976 1.00 0.00 C ATOM 0 H LEU A 45 -2.213 -2.699 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.705 -4.834 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.353 -4.337 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.737 -5.007 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.888 -2.132 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.558 -1.514 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.229 -2.477 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.806 -3.237 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.254 -1.846 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.534 -3.580 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.446 -3.061 0.031 1.00 0.00 H new ATOM 460 N GLU A 46 -1.236 -5.581 -1.994 1.00 0.00 N ATOM 461 CA GLU A 46 -0.333 -6.634 -2.377 1.00 0.00 C ATOM 462 C GLU A 46 1.087 -6.078 -2.539 1.00 0.00 C ATOM 463 O GLU A 46 1.426 -5.053 -1.948 1.00 0.00 O ATOM 464 CB GLU A 46 -0.841 -7.287 -3.662 1.00 0.00 C ATOM 465 CG GLU A 46 -0.785 -6.388 -4.883 1.00 0.00 C ATOM 466 CD GLU A 46 -0.370 -7.134 -6.136 1.00 0.00 C ATOM 467 OE1 GLU A 46 0.635 -7.871 -6.082 1.00 0.00 O ATOM 468 OE2 GLU A 46 -1.053 -6.982 -7.170 1.00 0.00 O ATOM 0 H GLU A 46 -1.098 -4.704 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.294 -7.397 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.252 -8.183 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.871 -7.609 -3.509 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.764 -5.935 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.083 -5.575 -4.699 1.00 0.00 H new ATOM 577 N GLY A 53 8.392 -2.242 -8.497 1.00 0.00 N ATOM 578 CA GLY A 53 8.536 -0.825 -8.245 1.00 0.00 C ATOM 579 C GLY A 53 7.240 -0.144 -7.872 1.00 0.00 C ATOM 580 O GLY A 53 7.229 1.052 -7.622 1.00 0.00 O ATOM 0 HA2 GLY A 53 9.258 -0.679 -7.442 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.946 -0.346 -9.134 1.00 0.00 H new ATOM 584 N TRP A 54 6.150 -0.895 -7.876 1.00 0.00 N ATOM 585 CA TRP A 54 4.837 -0.374 -7.564 1.00 0.00 C ATOM 586 C TRP A 54 4.338 -0.810 -6.176 1.00 0.00 C ATOM 587 O TRP A 54 4.856 -1.758 -5.586 1.00 0.00 O ATOM 588 CB TRP A 54 3.853 -0.801 -8.652 1.00 0.00 C ATOM 589 CG TRP A 54 3.132 -2.091 -8.386 1.00 0.00 C ATOM 590 CD1 TRP A 54 3.624 -3.205 -7.776 1.00 0.00 C ATOM 591 CD2 TRP A 54 1.776 -2.368 -8.701 1.00 0.00 C ATOM 592 NE1 TRP A 54 2.644 -4.174 -7.709 1.00 0.00 N ATOM 593 CE2 TRP A 54 1.499 -3.678 -8.278 1.00 0.00 C ATOM 594 CE3 TRP A 54 0.777 -1.625 -9.310 1.00 0.00 C ATOM 595 CZ2 TRP A 54 0.246 -4.262 -8.449 1.00 0.00 C ATOM 596 CZ3 TRP A 54 -0.467 -2.199 -9.484 1.00 0.00 C ATOM 597 CH2 TRP A 54 -0.724 -3.509 -9.056 1.00 0.00 C ATOM 0 H TRP A 54 6.156 -1.890 -8.098 1.00 0.00 H new ATOM 0 HA TRP A 54 4.909 0.713 -7.534 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.115 -0.010 -8.783 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.394 -0.892 -9.594 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.631 -3.314 -7.401 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.753 -5.104 -7.304 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.968 -0.615 -9.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.047 -5.270 -8.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.254 -1.630 -9.957 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.706 -3.933 -9.208 1.00 0.00 H new ATOM 608 N CYS A 55 3.296 -0.129 -5.687 1.00 0.00 N ATOM 609 CA CYS A 55 2.695 -0.474 -4.398 1.00 0.00 C ATOM 610 C CYS A 55 1.243 -0.017 -4.319 1.00 0.00 C ATOM 611 O CYS A 55 0.817 0.899 -5.015 1.00 0.00 O ATOM 612 CB CYS A 55 3.484 0.093 -3.223 1.00 0.00 C ATOM 613 SG CYS A 55 3.880 -1.124 -1.946 1.00 0.00 S ATOM 0 H CYS A 55 2.855 0.659 -6.162 1.00 0.00 H new ATOM 0 HA CYS A 55 2.724 -1.561 -4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.411 0.527 -3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.912 0.904 -2.772 1.00 0.00 H new ATOM 0 HG CYS A 55 4.552 -0.550 -0.993 1.00 0.00 H new ATOM 619 N LEU A 56 0.491 -0.696 -3.479 1.00 0.00 N ATOM 620 CA LEU A 56 -0.920 -0.415 -3.299 1.00 0.00 C ATOM 621 C LEU A 56 -1.218 0.187 -1.931 1.00 0.00 C ATOM 622 O LEU A 56 -0.412 0.077 -1.009 1.00 0.00 O ATOM 623 CB LEU A 56 -1.692 -1.705 -3.481 1.00 0.00 C ATOM 624 CG LEU A 56 -1.967 -2.114 -4.931 1.00 0.00 C ATOM 625 CD1 LEU A 56 -0.754 -1.868 -5.826 1.00 0.00 C ATOM 626 CD2 LEU A 56 -2.357 -3.573 -4.984 1.00 0.00 C ATOM 0 H LEU A 56 0.840 -1.460 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.224 0.324 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.140 -2.509 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.646 -1.613 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.786 -1.499 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.988 -2.170 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.500 -0.808 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.092 -2.450 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.552 -3.860 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.545 -4.181 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.256 -3.731 -4.388 1.00 0.00 H new ATOM 638 N VAL A 57 -2.374 0.844 -1.812 1.00 0.00 N ATOM 639 CA VAL A 57 -2.768 1.478 -0.557 1.00 0.00 C ATOM 640 C VAL A 57 -4.262 1.254 -0.247 1.00 0.00 C ATOM 641 O VAL A 57 -5.118 1.579 -1.057 1.00 0.00 O ATOM 642 CB VAL A 57 -2.465 3.004 -0.596 1.00 0.00 C ATOM 643 CG1 VAL A 57 -1.054 3.283 -0.090 1.00 0.00 C ATOM 644 CG2 VAL A 57 -2.655 3.583 -1.992 1.00 0.00 C ATOM 0 H VAL A 57 -3.050 0.949 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.183 1.013 0.236 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.180 3.496 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.860 4.355 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.959 2.930 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.332 2.763 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.434 4.650 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.982 3.083 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.686 3.431 -2.312 1.00 0.00 H new ATOM 816 N GLY A 68 -6.165 1.969 -3.302 1.00 0.00 N ATOM 817 CA GLY A 68 -5.340 2.850 -4.110 1.00 0.00 C ATOM 818 C GLY A 68 -4.162 2.154 -4.756 1.00 0.00 C ATOM 819 O GLY A 68 -3.662 1.151 -4.245 1.00 0.00 O ATOM 0 HA2 GLY A 68 -5.957 3.299 -4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.972 3.664 -3.485 1.00 0.00 H new ATOM 823 N LEU A 69 -3.712 2.701 -5.880 1.00 0.00 N ATOM 824 CA LEU A 69 -2.582 2.146 -6.606 1.00 0.00 C ATOM 825 C LEU A 69 -1.613 3.236 -7.043 1.00 0.00 C ATOM 826 O LEU A 69 -2.011 4.251 -7.616 1.00 0.00 O ATOM 827 CB LEU A 69 -3.061 1.356 -7.818 1.00 0.00 C ATOM 828 CG LEU A 69 -3.306 -0.121 -7.544 1.00 0.00 C ATOM 829 CD1 LEU A 69 -4.594 -0.312 -6.757 1.00 0.00 C ATOM 830 CD2 LEU A 69 -3.346 -0.907 -8.844 1.00 0.00 C ATOM 0 H LEU A 69 -4.117 3.533 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.054 1.474 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.984 1.803 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.321 1.449 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.480 -0.501 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.752 -1.374 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.521 0.216 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.432 0.085 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.522 -1.961 -8.627 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.150 -0.527 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.395 -0.798 -9.365 1.00 0.00 H new ATOM 842 N VAL A 70 -0.339 3.007 -6.765 1.00 0.00 N ATOM 843 CA VAL A 70 0.717 3.945 -7.118 1.00 0.00 C ATOM 844 C VAL A 70 2.045 3.207 -7.118 1.00 0.00 C ATOM 845 O VAL A 70 2.091 2.033 -6.755 1.00 0.00 O ATOM 846 CB VAL A 70 0.796 5.159 -6.147 1.00 0.00 C ATOM 847 CG1 VAL A 70 0.194 6.395 -6.796 1.00 0.00 C ATOM 848 CG2 VAL A 70 0.115 4.877 -4.809 1.00 0.00 C ATOM 0 H VAL A 70 -0.008 2.168 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 70 0.489 4.344 -8.106 1.00 0.00 H new ATOM 0 HB VAL A 70 1.851 5.338 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.256 7.236 -6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.744 6.632 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.851 6.204 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.197 5.754 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.937 4.648 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.598 4.028 -4.327 1.00 0.00 H new ATOM 858 N PRO A 71 3.151 3.851 -7.512 1.00 0.00 N ATOM 859 CA PRO A 71 4.428 3.195 -7.519 1.00 0.00 C ATOM 860 C PRO A 71 5.148 3.337 -6.185 1.00 0.00 C ATOM 861 O PRO A 71 4.874 4.250 -5.411 1.00 0.00 O ATOM 862 CB PRO A 71 5.183 3.890 -8.637 1.00 0.00 C ATOM 863 CG PRO A 71 4.578 5.261 -8.731 1.00 0.00 C ATOM 864 CD PRO A 71 3.263 5.237 -7.972 1.00 0.00 C ATOM 0 HA PRO A 71 4.342 2.119 -7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.249 3.945 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.079 3.349 -9.577 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.251 6.006 -8.307 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.414 5.536 -9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.271 5.937 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.426 5.515 -8.613 1.00 0.00 H new ATOM 872 N SER A 72 6.065 2.418 -5.928 1.00 0.00 N ATOM 873 CA SER A 72 6.849 2.397 -4.696 1.00 0.00 C ATOM 874 C SER A 72 7.428 3.774 -4.371 1.00 0.00 C ATOM 875 O SER A 72 7.666 4.098 -3.210 1.00 0.00 O ATOM 876 CB SER A 72 7.982 1.373 -4.817 1.00 0.00 C ATOM 877 OG SER A 72 8.981 1.590 -3.836 1.00 0.00 O ATOM 0 H SER A 72 6.290 1.659 -6.571 1.00 0.00 H new ATOM 0 HA SER A 72 6.182 2.114 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.578 0.366 -4.710 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.426 1.435 -5.811 1.00 0.00 H new ATOM 0 HG SER A 72 9.690 0.921 -3.937 1.00 0.00 H new ATOM 883 N SER A 73 7.647 4.586 -5.397 1.00 0.00 N ATOM 884 CA SER A 73 8.187 5.925 -5.198 1.00 0.00 C ATOM 885 C SER A 73 7.274 6.736 -4.280 1.00 0.00 C ATOM 886 O SER A 73 7.731 7.623 -3.558 1.00 0.00 O ATOM 887 CB SER A 73 8.351 6.640 -6.540 1.00 0.00 C ATOM 888 OG SER A 73 9.308 7.680 -6.451 1.00 0.00 O ATOM 0 H SER A 73 7.460 4.343 -6.370 1.00 0.00 H new ATOM 0 HA SER A 73 9.166 5.834 -4.728 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.658 5.924 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.392 7.050 -6.856 1.00 0.00 H new ATOM 0 HG SER A 73 9.395 8.120 -7.322 1.00 0.00 H new ATOM 894 N THR A 74 5.980 6.431 -4.325 1.00 0.00 N ATOM 895 CA THR A 74 4.991 7.125 -3.520 1.00 0.00 C ATOM 896 C THR A 74 4.475 6.244 -2.386 1.00 0.00 C ATOM 897 O THR A 74 3.558 6.638 -1.677 1.00 0.00 O ATOM 898 CB THR A 74 3.821 7.550 -4.406 1.00 0.00 C ATOM 899 OG1 THR A 74 2.778 6.590 -4.399 1.00 0.00 O ATOM 900 CG2 THR A 74 4.226 7.768 -5.841 1.00 0.00 C ATOM 0 H THR A 74 5.593 5.698 -4.920 1.00 0.00 H new ATOM 0 HA THR A 74 5.467 8.001 -3.079 1.00 0.00 H new ATOM 0 HB THR A 74 3.474 8.491 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.918 7.040 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.355 8.068 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.983 8.551 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.634 6.843 -6.249 1.00 0.00 H new ATOM 908 N LEU A 75 5.047 5.054 -2.232 1.00 0.00 N ATOM 909 CA LEU A 75 4.635 4.130 -1.202 1.00 0.00 C ATOM 910 C LEU A 75 5.848 3.505 -0.535 1.00 0.00 C ATOM 911 O LEU A 75 6.770 3.046 -1.199 1.00 0.00 O ATOM 912 CB LEU A 75 3.775 3.030 -1.804 1.00 0.00 C ATOM 913 CG LEU A 75 2.529 3.511 -2.561 1.00 0.00 C ATOM 914 CD1 LEU A 75 2.685 3.294 -4.064 1.00 0.00 C ATOM 915 CD2 LEU A 75 1.275 2.806 -2.046 1.00 0.00 C ATOM 0 H LEU A 75 5.807 4.711 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 75 4.059 4.680 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.390 2.443 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.458 2.361 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 75 2.420 4.581 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.789 3.643 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.550 3.851 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.828 2.232 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.405 3.163 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.378 1.730 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.146 3.021 -0.985 1.00 0.00 H new