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 -18:sc= 0.00206 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0915 X(o=-0.091,f=-0.17) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0813 USER MOD Single : A 37 GLN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 40 GLN : amide:sc= -6.58! C(o=-6.6!,f=-3.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 74 THR OG1 : rot 59:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 26 N CYS A 17 -2.492 -8.055 3.720 1.00 0.00 N ATOM 27 CA CYS A 17 -2.440 -6.602 3.698 1.00 0.00 C ATOM 28 C CYS A 17 -1.476 -6.087 4.756 1.00 0.00 C ATOM 29 O CYS A 17 -1.494 -6.535 5.902 1.00 0.00 O ATOM 30 CB CYS A 17 -3.830 -6.000 3.921 1.00 0.00 C ATOM 31 SG CYS A 17 -4.812 -6.828 5.197 1.00 0.00 S ATOM 0 HA CYS A 17 -2.084 -6.295 2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.718 -4.950 4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.380 -6.030 2.981 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.323 -8.011 5.421 1.00 0.00 H new ATOM 37 N GLU A 18 -0.646 -5.135 4.363 1.00 0.00 N ATOM 38 CA GLU A 18 0.326 -4.541 5.275 1.00 0.00 C ATOM 39 C GLU A 18 0.216 -3.029 5.255 1.00 0.00 C ATOM 40 O GLU A 18 -0.059 -2.435 4.219 1.00 0.00 O ATOM 41 CB GLU A 18 1.750 -4.967 4.924 1.00 0.00 C ATOM 42 CG GLU A 18 2.805 -4.401 5.862 1.00 0.00 C ATOM 43 CD GLU A 18 4.043 -5.274 5.940 1.00 0.00 C ATOM 44 OE1 GLU A 18 4.044 -6.230 6.742 1.00 0.00 O ATOM 45 OE2 GLU A 18 5.011 -4.999 5.200 1.00 0.00 O ATOM 0 H GLU A 18 -0.623 -4.754 3.417 1.00 0.00 H new ATOM 0 HA GLU A 18 0.102 -4.901 6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.809 -6.055 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.974 -4.650 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.088 -3.404 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.379 -4.291 6.859 1.00 0.00 H new ATOM 52 N LEU A 19 0.436 -2.423 6.408 1.00 0.00 N ATOM 53 CA LEU A 19 0.350 -0.966 6.542 1.00 0.00 C ATOM 54 C LEU A 19 1.597 -0.277 6.008 1.00 0.00 C ATOM 55 O LEU A 19 2.722 -0.678 6.304 1.00 0.00 O ATOM 56 CB LEU A 19 0.138 -0.542 7.993 1.00 0.00 C ATOM 57 CG LEU A 19 -0.733 -1.471 8.850 1.00 0.00 C ATOM 58 CD1 LEU A 19 -0.176 -1.576 10.261 1.00 0.00 C ATOM 59 CD2 LEU A 19 -2.171 -0.970 8.882 1.00 0.00 C ATOM 0 H LEU A 19 0.676 -2.911 7.271 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.512 -0.659 5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.114 -0.451 8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.312 0.451 7.998 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.721 -2.464 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.807 -2.239 10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.837 -1.977 10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.158 -0.587 10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.776 -1.639 9.494 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.197 0.033 9.307 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.570 -0.945 7.868 1.00 0.00 H new ATOM 71 N THR A 20 1.381 0.776 5.228 1.00 0.00 N ATOM 72 CA THR A 20 2.481 1.545 4.655 1.00 0.00 C ATOM 73 C THR A 20 2.168 3.039 4.656 1.00 0.00 C ATOM 74 O THR A 20 1.009 3.441 4.593 1.00 0.00 O ATOM 75 CB THR A 20 2.799 1.062 3.233 1.00 0.00 C ATOM 76 OG1 THR A 20 4.043 1.578 2.799 1.00 0.00 O ATOM 77 CG2 THR A 20 1.762 1.441 2.193 1.00 0.00 C ATOM 0 H THR A 20 0.453 1.118 4.977 1.00 0.00 H new ATOM 0 HA THR A 20 3.360 1.385 5.279 1.00 0.00 H new ATOM 0 HB THR A 20 2.813 -0.025 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.231 1.259 1.892 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.068 1.060 1.219 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.799 1.010 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.673 2.526 2.146 1.00 0.00 H new ATOM 85 N VAL A 21 3.214 3.854 4.705 1.00 0.00 N ATOM 86 CA VAL A 21 3.059 5.300 4.687 1.00 0.00 C ATOM 87 C VAL A 21 3.543 5.854 3.356 1.00 0.00 C ATOM 88 O VAL A 21 4.691 5.636 2.968 1.00 0.00 O ATOM 89 CB VAL A 21 3.842 5.981 5.829 1.00 0.00 C ATOM 90 CG1 VAL A 21 3.051 5.930 7.127 1.00 0.00 C ATOM 91 CG2 VAL A 21 5.215 5.346 6.005 1.00 0.00 C ATOM 0 H VAL A 21 4.181 3.535 4.758 1.00 0.00 H new ATOM 0 HA VAL A 21 1.999 5.514 4.827 1.00 0.00 H new ATOM 0 HB VAL A 21 3.990 7.027 5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.621 6.415 7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.101 6.447 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.864 4.891 7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.745 5.845 6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.099 4.289 6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.785 5.449 5.081 1.00 0.00 H new ATOM 101 N VAL A 22 2.668 6.557 2.649 1.00 0.00 N ATOM 102 CA VAL A 22 3.023 7.114 1.363 1.00 0.00 C ATOM 103 C VAL A 22 4.148 8.127 1.496 1.00 0.00 C ATOM 104 O VAL A 22 4.251 8.832 2.499 1.00 0.00 O ATOM 105 CB VAL A 22 1.823 7.782 0.666 1.00 0.00 C ATOM 106 CG1 VAL A 22 1.012 6.753 -0.100 1.00 0.00 C ATOM 107 CG2 VAL A 22 0.945 8.549 1.644 1.00 0.00 C ATOM 0 H VAL A 22 1.712 6.751 2.948 1.00 0.00 H new ATOM 0 HA VAL A 22 3.356 6.277 0.749 1.00 0.00 H new ATOM 0 HB VAL A 22 2.221 8.510 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.168 7.243 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.642 6.282 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.643 5.994 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.112 9.003 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.560 7.865 2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.534 9.329 2.127 1.00 0.00 H new ATOM 117 N LEU A 23 4.989 8.191 0.476 1.00 0.00 N ATOM 118 CA LEU A 23 6.110 9.112 0.466 1.00 0.00 C ATOM 119 C LEU A 23 5.792 10.355 -0.363 1.00 0.00 C ATOM 120 O LEU A 23 6.444 11.387 -0.216 1.00 0.00 O ATOM 121 CB LEU A 23 7.373 8.438 -0.086 1.00 0.00 C ATOM 122 CG LEU A 23 7.470 6.922 0.123 1.00 0.00 C ATOM 123 CD1 LEU A 23 8.809 6.401 -0.379 1.00 0.00 C ATOM 124 CD2 LEU A 23 7.273 6.562 1.591 1.00 0.00 C ATOM 0 H LEU A 23 4.914 7.611 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 23 6.292 9.412 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.433 8.642 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.242 8.905 0.377 1.00 0.00 H new ATOM 0 HG LEU A 23 6.675 6.447 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.862 5.323 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.909 6.619 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.617 6.887 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.346 5.481 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.042 7.048 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.290 6.899 1.919 1.00 0.00 H new ATOM 136 N GLN A 24 4.797 10.252 -1.244 1.00 0.00 N ATOM 137 CA GLN A 24 4.414 11.368 -2.082 1.00 0.00 C ATOM 138 C GLN A 24 2.901 11.384 -2.284 1.00 0.00 C ATOM 139 O GLN A 24 2.259 10.333 -2.296 1.00 0.00 O ATOM 140 CB GLN A 24 5.189 11.307 -3.412 1.00 0.00 C ATOM 141 CG GLN A 24 4.540 10.544 -4.567 1.00 0.00 C ATOM 142 CD GLN A 24 4.869 11.152 -5.917 1.00 0.00 C ATOM 143 OE1 GLN A 24 3.995 11.316 -6.767 1.00 0.00 O ATOM 144 NE2 GLN A 24 6.137 11.490 -6.121 1.00 0.00 N ATOM 0 H GLN A 24 4.248 9.405 -1.389 1.00 0.00 H new ATOM 0 HA GLN A 24 4.676 12.306 -1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.371 12.329 -3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.162 10.857 -3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.874 9.507 -4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.459 10.533 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.830 11.336 -5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.418 11.903 -7.010 1.00 0.00 H new ATOM 153 N ASP A 25 2.336 12.572 -2.450 1.00 0.00 N ATOM 154 CA ASP A 25 0.898 12.688 -2.659 1.00 0.00 C ATOM 155 C ASP A 25 0.538 12.148 -4.033 1.00 0.00 C ATOM 156 O ASP A 25 1.309 12.266 -4.986 1.00 0.00 O ATOM 157 CB ASP A 25 0.365 14.133 -2.537 1.00 0.00 C ATOM 158 CG ASP A 25 1.361 15.141 -1.986 1.00 0.00 C ATOM 159 OD1 ASP A 25 2.263 15.560 -2.742 1.00 0.00 O ATOM 160 OD2 ASP A 25 1.238 15.509 -0.798 1.00 0.00 O ATOM 0 H ASP A 25 2.842 13.458 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 25 0.428 12.106 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.039 14.468 -3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.516 14.126 -1.895 1.00 0.00 H new ATOM 165 N PHE A 26 -0.637 11.569 -4.125 1.00 0.00 N ATOM 166 CA PHE A 26 -1.123 11.013 -5.375 1.00 0.00 C ATOM 167 C PHE A 26 -2.614 11.194 -5.514 1.00 0.00 C ATOM 168 O PHE A 26 -3.330 11.291 -4.531 1.00 0.00 O ATOM 169 CB PHE A 26 -0.800 9.532 -5.488 1.00 0.00 C ATOM 170 CG PHE A 26 -1.099 8.967 -6.850 1.00 0.00 C ATOM 171 CD1 PHE A 26 -0.199 9.119 -7.890 1.00 0.00 C ATOM 172 CD2 PHE A 26 -2.283 8.285 -7.087 1.00 0.00 C ATOM 173 CE1 PHE A 26 -0.471 8.602 -9.142 1.00 0.00 C ATOM 174 CE2 PHE A 26 -2.560 7.764 -8.337 1.00 0.00 C ATOM 175 CZ PHE A 26 -1.653 7.923 -9.365 1.00 0.00 C ATOM 0 H PHE A 26 -1.283 11.468 -3.342 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.616 11.555 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.255 9.377 -5.260 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.372 8.983 -4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.727 9.648 -7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.997 8.160 -6.286 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.240 8.729 -9.945 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.485 7.233 -8.509 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.867 7.517 -10.343 1.00 0.00 H new ATOM 185 N SER A 27 -3.075 11.231 -6.745 1.00 0.00 N ATOM 186 CA SER A 27 -4.468 11.369 -7.027 1.00 0.00 C ATOM 187 C SER A 27 -4.898 10.256 -7.972 1.00 0.00 C ATOM 188 O SER A 27 -4.170 9.909 -8.902 1.00 0.00 O ATOM 189 CB SER A 27 -4.716 12.720 -7.659 1.00 0.00 C ATOM 190 OG SER A 27 -3.581 13.167 -8.379 1.00 0.00 O ATOM 0 H SER A 27 -2.484 11.165 -7.574 1.00 0.00 H new ATOM 0 HA SER A 27 -5.047 11.297 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.574 12.659 -8.329 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.967 13.445 -6.885 1.00 0.00 H new ATOM 0 HG SER A 27 -3.770 14.042 -8.778 1.00 0.00 H new ATOM 196 N ALA A 28 -6.060 9.684 -7.710 1.00 0.00 N ATOM 197 CA ALA A 28 -6.590 8.592 -8.504 1.00 0.00 C ATOM 198 C ALA A 28 -6.541 8.854 -10.004 1.00 0.00 C ATOM 199 O ALA A 28 -6.056 9.887 -10.466 1.00 0.00 O ATOM 200 CB ALA A 28 -8.017 8.305 -8.090 1.00 0.00 C ATOM 0 H ALA A 28 -6.664 9.966 -6.938 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.951 7.730 -8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.411 7.484 -8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.042 8.030 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.627 9.194 -8.247 1.00 0.00 H new ATOM 206 N ALA A 29 -7.066 7.891 -10.752 1.00 0.00 N ATOM 207 CA ALA A 29 -7.114 7.958 -12.207 1.00 0.00 C ATOM 208 C ALA A 29 -7.653 6.652 -12.782 1.00 0.00 C ATOM 209 O ALA A 29 -8.299 6.646 -13.830 1.00 0.00 O ATOM 210 CB ALA A 29 -5.733 8.261 -12.788 1.00 0.00 C ATOM 0 H ALA A 29 -7.472 7.039 -10.365 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.786 8.770 -12.485 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.797 8.305 -13.875 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.380 9.219 -12.406 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.036 7.475 -12.498 1.00 0.00 H new ATOM 216 N HIS A 30 -7.380 5.541 -12.093 1.00 0.00 N ATOM 217 CA HIS A 30 -7.839 4.237 -12.550 1.00 0.00 C ATOM 218 C HIS A 30 -9.033 3.737 -11.735 1.00 0.00 C ATOM 219 O HIS A 30 -9.503 4.396 -10.804 1.00 0.00 O ATOM 220 CB HIS A 30 -6.703 3.214 -12.505 1.00 0.00 C ATOM 221 CG HIS A 30 -6.666 2.307 -13.695 1.00 0.00 C ATOM 222 ND1 HIS A 30 -6.862 0.945 -13.611 1.00 0.00 N ATOM 223 CD2 HIS A 30 -6.454 2.575 -15.006 1.00 0.00 C ATOM 224 CE1 HIS A 30 -6.771 0.413 -14.818 1.00 0.00 C ATOM 225 NE2 HIS A 30 -6.525 1.381 -15.681 1.00 0.00 N ATOM 0 H HIS A 30 -6.847 5.523 -11.224 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.166 4.355 -13.583 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.752 3.742 -12.432 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.803 2.611 -11.602 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.265 3.546 -15.439 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.879 -0.635 -15.057 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.407 1.262 -16.687 1.00 0.00 H new ATOM 234 N SER A 31 -9.517 2.560 -12.116 1.00 0.00 N ATOM 235 CA SER A 31 -10.673 1.920 -11.480 1.00 0.00 C ATOM 236 C SER A 31 -10.686 2.078 -9.959 1.00 0.00 C ATOM 237 O SER A 31 -11.426 2.900 -9.419 1.00 0.00 O ATOM 238 CB SER A 31 -10.715 0.435 -11.848 1.00 0.00 C ATOM 239 OG SER A 31 -11.201 0.249 -13.166 1.00 0.00 O ATOM 0 H SER A 31 -9.118 2.015 -12.881 1.00 0.00 H new ATOM 0 HA SER A 31 -11.560 2.428 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.716 0.008 -11.762 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.352 -0.099 -11.143 1.00 0.00 H new ATOM 0 HG SER A 31 -11.216 -0.708 -13.377 1.00 0.00 H new ATOM 245 N SER A 32 -9.884 1.274 -9.274 1.00 0.00 N ATOM 246 CA SER A 32 -9.829 1.318 -7.821 1.00 0.00 C ATOM 247 C SER A 32 -8.728 2.250 -7.322 1.00 0.00 C ATOM 248 O SER A 32 -8.039 1.935 -6.358 1.00 0.00 O ATOM 249 CB SER A 32 -9.616 -0.091 -7.266 1.00 0.00 C ATOM 250 OG SER A 32 -10.842 -0.797 -7.177 1.00 0.00 O ATOM 0 H SER A 32 -9.264 0.585 -9.701 1.00 0.00 H new ATOM 0 HA SER A 32 -10.780 1.712 -7.464 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.925 -0.637 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.155 -0.031 -6.280 1.00 0.00 H new ATOM 0 HG SER A 32 -10.677 -1.695 -6.821 1.00 0.00 H new ATOM 256 N GLU A 33 -8.568 3.399 -7.976 1.00 0.00 N ATOM 257 CA GLU A 33 -7.559 4.366 -7.588 1.00 0.00 C ATOM 258 C GLU A 33 -8.142 5.410 -6.648 1.00 0.00 C ATOM 259 O GLU A 33 -9.344 5.677 -6.667 1.00 0.00 O ATOM 260 CB GLU A 33 -7.010 5.058 -8.829 1.00 0.00 C ATOM 261 CG GLU A 33 -5.766 4.406 -9.366 1.00 0.00 C ATOM 262 CD GLU A 33 -4.670 5.397 -9.714 1.00 0.00 C ATOM 263 OE1 GLU A 33 -4.976 6.414 -10.367 1.00 0.00 O ATOM 264 OE2 GLU A 33 -3.506 5.151 -9.333 1.00 0.00 O ATOM 0 H GLU A 33 -9.130 3.678 -8.780 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.758 3.838 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.776 5.061 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.794 6.099 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.387 3.700 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.021 3.830 -10.256 1.00 0.00 H new ATOM 271 N LEU A 34 -7.281 6.017 -5.848 1.00 0.00 N ATOM 272 CA LEU A 34 -7.703 7.050 -4.930 1.00 0.00 C ATOM 273 C LEU A 34 -6.584 8.046 -4.668 1.00 0.00 C ATOM 274 O LEU A 34 -5.420 7.792 -4.975 1.00 0.00 O ATOM 275 CB LEU A 34 -8.218 6.457 -3.625 1.00 0.00 C ATOM 276 CG LEU A 34 -7.648 5.103 -3.201 1.00 0.00 C ATOM 277 CD1 LEU A 34 -6.312 5.271 -2.499 1.00 0.00 C ATOM 278 CD2 LEU A 34 -8.635 4.439 -2.266 1.00 0.00 C ATOM 0 H LEU A 34 -6.283 5.808 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.527 7.587 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.019 7.172 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.301 6.359 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.488 4.488 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.928 4.293 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.604 5.752 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.443 5.889 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.245 3.471 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.787 5.069 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.585 4.298 -2.781 1.00 0.00 H new ATOM 290 N SER A 35 -6.959 9.187 -4.114 1.00 0.00 N ATOM 291 CA SER A 35 -6.025 10.243 -3.818 1.00 0.00 C ATOM 292 C SER A 35 -5.458 10.101 -2.420 1.00 0.00 C ATOM 293 O SER A 35 -6.181 9.890 -1.447 1.00 0.00 O ATOM 294 CB SER A 35 -6.700 11.603 -3.977 1.00 0.00 C ATOM 295 OG SER A 35 -8.087 11.522 -3.697 1.00 0.00 O ATOM 0 H SER A 35 -7.923 9.401 -3.859 1.00 0.00 H new ATOM 0 HA SER A 35 -5.199 10.169 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.233 12.325 -3.307 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.552 11.969 -4.993 1.00 0.00 H new ATOM 0 HG SER A 35 -8.495 12.407 -3.805 1.00 0.00 H new ATOM 301 N ILE A 36 -4.150 10.232 -2.348 1.00 0.00 N ATOM 302 CA ILE A 36 -3.426 10.136 -1.096 1.00 0.00 C ATOM 303 C ILE A 36 -2.464 11.307 -0.951 1.00 0.00 C ATOM 304 O ILE A 36 -2.209 12.043 -1.904 1.00 0.00 O ATOM 305 CB ILE A 36 -2.631 8.820 -1.003 1.00 0.00 C ATOM 306 CG1 ILE A 36 -1.733 8.660 -2.228 1.00 0.00 C ATOM 307 CG2 ILE A 36 -3.576 7.635 -0.874 1.00 0.00 C ATOM 308 CD1 ILE A 36 -0.347 9.235 -2.050 1.00 0.00 C ATOM 0 H ILE A 36 -3.556 10.409 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.162 10.158 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.002 8.854 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.648 7.600 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.209 9.143 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.997 6.714 -0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.180 7.748 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.229 7.593 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.230 9.083 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.420 10.302 -1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.150 8.736 -1.218 1.00 0.00 H new ATOM 320 N GLN A 37 -1.941 11.469 0.250 1.00 0.00 N ATOM 321 CA GLN A 37 -1.016 12.533 0.556 1.00 0.00 C ATOM 322 C GLN A 37 0.196 12.013 1.311 1.00 0.00 C ATOM 323 O GLN A 37 0.096 11.106 2.133 1.00 0.00 O ATOM 324 CB GLN A 37 -1.717 13.604 1.369 1.00 0.00 C ATOM 325 CG GLN A 37 -2.303 14.720 0.522 1.00 0.00 C ATOM 326 CD GLN A 37 -3.756 15.010 0.848 1.00 0.00 C ATOM 327 OE1 GLN A 37 -4.613 15.012 -0.033 1.00 0.00 O ATOM 328 NE2 GLN A 37 -4.038 15.257 2.123 1.00 0.00 N ATOM 0 H GLN A 37 -2.150 10.861 1.042 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.666 12.960 -0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.515 13.143 1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.009 14.031 2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.716 15.626 0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.219 14.452 -0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.295 15.245 2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.998 15.459 2.403 1.00 0.00 H new ATOM 337 N VAL A 38 1.337 12.608 1.024 1.00 0.00 N ATOM 338 CA VAL A 38 2.592 12.225 1.657 1.00 0.00 C ATOM 339 C VAL A 38 2.528 12.370 3.180 1.00 0.00 C ATOM 340 O VAL A 38 2.384 13.477 3.699 1.00 0.00 O ATOM 341 CB VAL A 38 3.753 13.091 1.121 1.00 0.00 C ATOM 342 CG1 VAL A 38 3.479 14.564 1.373 1.00 0.00 C ATOM 343 CG2 VAL A 38 5.081 12.676 1.742 1.00 0.00 C ATOM 0 H VAL A 38 1.425 13.368 0.349 1.00 0.00 H new ATOM 0 HA VAL A 38 2.765 11.177 1.414 1.00 0.00 H new ATOM 0 HB VAL A 38 3.824 12.932 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.307 15.159 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.558 14.855 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.374 14.737 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.880 13.303 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.029 12.795 2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.285 11.633 1.501 1.00 0.00 H new ATOM 353 N GLY A 39 2.674 11.252 3.892 1.00 0.00 N ATOM 354 CA GLY A 39 2.669 11.300 5.346 1.00 0.00 C ATOM 355 C GLY A 39 1.575 10.483 6.000 1.00 0.00 C ATOM 356 O GLY A 39 1.655 10.185 7.192 1.00 0.00 O ATOM 0 H GLY A 39 2.795 10.322 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.634 10.949 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.567 12.338 5.662 1.00 0.00 H new ATOM 360 N GLN A 40 0.550 10.130 5.244 1.00 0.00 N ATOM 361 CA GLN A 40 -0.547 9.364 5.784 1.00 0.00 C ATOM 362 C GLN A 40 -0.220 7.879 5.843 1.00 0.00 C ATOM 363 O GLN A 40 0.850 7.448 5.412 1.00 0.00 O ATOM 364 CB GLN A 40 -1.796 9.617 4.963 1.00 0.00 C ATOM 365 CG GLN A 40 -1.749 8.998 3.596 1.00 0.00 C ATOM 366 CD GLN A 40 -2.968 9.327 2.757 1.00 0.00 C ATOM 367 OE1 GLN A 40 -3.537 10.412 2.869 1.00 0.00 O ATOM 368 NE2 GLN A 40 -3.375 8.390 1.910 1.00 0.00 N ATOM 0 H GLN A 40 0.459 10.364 4.255 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.724 9.689 6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.660 9.226 5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.943 10.692 4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.854 9.342 3.078 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.664 7.916 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.873 7.504 1.850 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.190 8.556 1.319 1.00 0.00 H new ATOM 377 N THR A 41 -1.152 7.103 6.377 1.00 0.00 N ATOM 378 CA THR A 41 -0.968 5.663 6.493 1.00 0.00 C ATOM 379 C THR A 41 -2.047 4.898 5.744 1.00 0.00 C ATOM 380 O THR A 41 -3.234 4.997 6.056 1.00 0.00 O ATOM 381 CB THR A 41 -0.956 5.219 7.966 1.00 0.00 C ATOM 382 OG1 THR A 41 0.219 5.671 8.615 1.00 0.00 O ATOM 383 CG2 THR A 41 -1.031 3.704 8.149 1.00 0.00 C ATOM 0 H THR A 41 -2.043 7.446 6.737 1.00 0.00 H new ATOM 0 HA THR A 41 -0.002 5.433 6.044 1.00 0.00 H new ATOM 0 HB THR A 41 -1.850 5.663 8.405 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.208 5.381 9.551 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.018 3.465 9.212 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.953 3.329 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.176 3.236 7.661 1.00 0.00 H new ATOM 391 N VAL A 42 -1.611 4.094 4.797 1.00 0.00 N ATOM 392 CA VAL A 42 -2.509 3.255 4.043 1.00 0.00 C ATOM 393 C VAL A 42 -1.817 1.933 3.754 1.00 0.00 C ATOM 394 O VAL A 42 -0.673 1.896 3.310 1.00 0.00 O ATOM 395 CB VAL A 42 -2.988 3.938 2.749 1.00 0.00 C ATOM 396 CG1 VAL A 42 -4.171 3.202 2.177 1.00 0.00 C ATOM 397 CG2 VAL A 42 -3.368 5.381 3.009 1.00 0.00 C ATOM 0 H VAL A 42 -0.630 4.006 4.532 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.405 3.073 4.636 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.167 3.915 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.499 3.696 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.886 2.174 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.985 3.203 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.703 5.842 2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.172 5.419 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.502 5.922 3.391 1.00 0.00 H new ATOM 407 N GLU A 43 -2.496 0.851 4.093 1.00 0.00 N ATOM 408 CA GLU A 43 -1.934 -0.486 3.947 1.00 0.00 C ATOM 409 C GLU A 43 -2.051 -1.050 2.533 1.00 0.00 C ATOM 410 O GLU A 43 -3.139 -1.101 1.973 1.00 0.00 O ATOM 411 CB GLU A 43 -2.616 -1.434 4.931 1.00 0.00 C ATOM 412 CG GLU A 43 -4.103 -1.592 4.674 1.00 0.00 C ATOM 413 CD GLU A 43 -4.779 -2.494 5.688 1.00 0.00 C ATOM 414 OE1 GLU A 43 -4.090 -3.365 6.260 1.00 0.00 O ATOM 415 OE2 GLU A 43 -5.997 -2.330 5.909 1.00 0.00 O ATOM 0 H GLU A 43 -3.442 0.870 4.473 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.868 -0.400 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.138 -2.412 4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.466 -1.064 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.577 -0.611 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.254 -1.999 3.674 1.00 0.00 H new ATOM 422 N LEU A 44 -0.927 -1.499 1.959 1.00 0.00 N ATOM 423 CA LEU A 44 -0.946 -2.056 0.626 1.00 0.00 C ATOM 424 C LEU A 44 -1.687 -3.377 0.558 1.00 0.00 C ATOM 425 O LEU A 44 -1.707 -4.164 1.518 1.00 0.00 O ATOM 426 CB LEU A 44 0.454 -2.189 0.013 1.00 0.00 C ATOM 427 CG LEU A 44 1.557 -2.869 0.836 1.00 0.00 C ATOM 428 CD1 LEU A 44 2.244 -1.875 1.752 1.00 0.00 C ATOM 429 CD2 LEU A 44 1.026 -4.051 1.618 1.00 0.00 C ATOM 0 H LEU A 44 -0.008 -1.482 2.402 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.497 -1.334 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.354 -2.738 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.801 -1.187 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 44 2.298 -3.251 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.021 -2.383 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.693 -1.081 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.513 -1.445 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.837 -4.505 2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.247 -3.714 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.611 -4.786 0.929 1.00 0.00 H new ATOM 441 N LEU A 45 -2.299 -3.586 -0.606 1.00 0.00 N ATOM 442 CA LEU A 45 -3.075 -4.790 -0.883 1.00 0.00 C ATOM 443 C LEU A 45 -2.154 -5.939 -1.282 1.00 0.00 C ATOM 444 O LEU A 45 -2.122 -6.977 -0.619 1.00 0.00 O ATOM 445 CB LEU A 45 -4.115 -4.548 -1.997 1.00 0.00 C ATOM 446 CG LEU A 45 -4.697 -3.126 -2.105 1.00 0.00 C ATOM 447 CD1 LEU A 45 -5.256 -2.876 -3.502 1.00 0.00 C ATOM 448 CD2 LEU A 45 -5.783 -2.906 -1.073 1.00 0.00 C ATOM 0 H LEU A 45 -2.270 -2.925 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.607 -5.054 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.655 -4.800 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.941 -5.243 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.887 -2.421 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.662 -1.866 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.460 -2.987 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.047 -3.596 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.178 -1.895 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.586 -3.626 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.368 -3.039 -0.074 1.00 0.00 H new ATOM 460 N GLU A 46 -1.404 -5.757 -2.371 1.00 0.00 N ATOM 461 CA GLU A 46 -0.498 -6.772 -2.851 1.00 0.00 C ATOM 462 C GLU A 46 0.940 -6.240 -2.879 1.00 0.00 C ATOM 463 O GLU A 46 1.266 -5.273 -2.191 1.00 0.00 O ATOM 464 CB GLU A 46 -0.951 -7.235 -4.240 1.00 0.00 C ATOM 465 CG GLU A 46 -0.692 -6.230 -5.353 1.00 0.00 C ATOM 466 CD GLU A 46 -1.555 -6.480 -6.574 1.00 0.00 C ATOM 467 OE1 GLU A 46 -2.790 -6.324 -6.471 1.00 0.00 O ATOM 468 OE2 GLU A 46 -0.997 -6.834 -7.633 1.00 0.00 O ATOM 0 H GLU A 46 -1.415 -4.905 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.514 -7.627 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.441 -8.167 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.018 -7.455 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.879 -5.223 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.359 -6.273 -5.640 1.00 0.00 H new ATOM 577 N GLY A 53 8.553 -2.208 -8.278 1.00 0.00 N ATOM 578 CA GLY A 53 8.656 -0.794 -7.998 1.00 0.00 C ATOM 579 C GLY A 53 7.333 -0.142 -7.678 1.00 0.00 C ATOM 580 O GLY A 53 7.298 1.035 -7.365 1.00 0.00 O ATOM 0 HA2 GLY A 53 9.336 -0.647 -7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.099 -0.293 -8.859 1.00 0.00 H new ATOM 584 N TRP A 54 6.250 -0.895 -7.800 1.00 0.00 N ATOM 585 CA TRP A 54 4.906 -0.399 -7.555 1.00 0.00 C ATOM 586 C TRP A 54 4.296 -0.915 -6.237 1.00 0.00 C ATOM 587 O TRP A 54 4.758 -1.908 -5.677 1.00 0.00 O ATOM 588 CB TRP A 54 4.015 -0.790 -8.732 1.00 0.00 C ATOM 589 CG TRP A 54 3.313 -2.114 -8.585 1.00 0.00 C ATOM 590 CD1 TRP A 54 3.785 -3.243 -7.981 1.00 0.00 C ATOM 591 CD2 TRP A 54 2.003 -2.418 -9.037 1.00 0.00 C ATOM 592 NE1 TRP A 54 2.835 -4.240 -8.042 1.00 0.00 N ATOM 593 CE2 TRP A 54 1.732 -3.754 -8.696 1.00 0.00 C ATOM 594 CE3 TRP A 54 1.040 -1.679 -9.706 1.00 0.00 C ATOM 595 CZ2 TRP A 54 0.522 -4.367 -9.009 1.00 0.00 C ATOM 596 CZ3 TRP A 54 -0.162 -2.282 -10.020 1.00 0.00 C ATOM 597 CH2 TRP A 54 -0.413 -3.618 -9.673 1.00 0.00 C ATOM 0 H TRP A 54 6.281 -1.877 -8.075 1.00 0.00 H new ATOM 0 HA TRP A 54 4.969 0.685 -7.457 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.265 -0.012 -8.875 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.623 -0.817 -9.636 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.758 -3.341 -7.523 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.936 -5.182 -7.664 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.226 -0.650 -9.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.328 -5.394 -8.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.921 -1.716 -10.541 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.361 -4.064 -9.934 1.00 0.00 H new ATOM 608 N CYS A 55 3.217 -0.260 -5.789 1.00 0.00 N ATOM 609 CA CYS A 55 2.510 -0.694 -4.584 1.00 0.00 C ATOM 610 C CYS A 55 1.082 -0.150 -4.536 1.00 0.00 C ATOM 611 O CYS A 55 0.750 0.861 -5.141 1.00 0.00 O ATOM 612 CB CYS A 55 3.257 -0.320 -3.308 1.00 0.00 C ATOM 613 SG CYS A 55 3.627 -1.723 -2.230 1.00 0.00 S ATOM 0 H CYS A 55 2.820 0.564 -6.240 1.00 0.00 H new ATOM 0 HA CYS A 55 2.463 -1.782 -4.638 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.191 0.173 -3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.663 0.405 -2.752 1.00 0.00 H new ATOM 0 HG CYS A 55 4.263 -1.305 -1.176 1.00 0.00 H new ATOM 619 N LEU A 56 0.246 -0.859 -3.813 1.00 0.00 N ATOM 620 CA LEU A 56 -1.155 -0.510 -3.655 1.00 0.00 C ATOM 621 C LEU A 56 -1.411 0.083 -2.280 1.00 0.00 C ATOM 622 O LEU A 56 -0.587 -0.074 -1.392 1.00 0.00 O ATOM 623 CB LEU A 56 -1.991 -1.763 -3.827 1.00 0.00 C ATOM 624 CG LEU A 56 -2.240 -2.202 -5.271 1.00 0.00 C ATOM 625 CD1 LEU A 56 -0.968 -2.095 -6.112 1.00 0.00 C ATOM 626 CD2 LEU A 56 -2.763 -3.629 -5.303 1.00 0.00 C ATOM 0 H LEU A 56 0.518 -1.704 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.424 0.233 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.501 -2.580 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.955 -1.603 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.987 -1.534 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.179 -2.414 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.622 -1.061 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.195 -2.733 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.936 -3.930 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.030 -4.296 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.699 -3.686 -4.747 1.00 0.00 H new ATOM 638 N VAL A 57 -2.540 0.772 -2.089 1.00 0.00 N ATOM 639 CA VAL A 57 -2.828 1.342 -0.772 1.00 0.00 C ATOM 640 C VAL A 57 -4.306 1.200 -0.394 1.00 0.00 C ATOM 641 O VAL A 57 -5.183 1.711 -1.071 1.00 0.00 O ATOM 642 CB VAL A 57 -2.412 2.828 -0.696 1.00 0.00 C ATOM 643 CG1 VAL A 57 -0.941 2.949 -0.329 1.00 0.00 C ATOM 644 CG2 VAL A 57 -2.713 3.560 -1.998 1.00 0.00 C ATOM 0 H VAL A 57 -3.247 0.944 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.236 0.773 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.003 3.303 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.664 4.002 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.768 2.482 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.335 2.449 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.407 4.602 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.165 3.090 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.782 3.512 -2.204 1.00 0.00 H new ATOM 816 N GLY A 68 -6.227 1.768 -3.339 1.00 0.00 N ATOM 817 CA GLY A 68 -5.621 2.531 -4.420 1.00 0.00 C ATOM 818 C GLY A 68 -4.320 1.980 -4.948 1.00 0.00 C ATOM 819 O GLY A 68 -3.897 0.880 -4.588 1.00 0.00 O ATOM 0 HA2 GLY A 68 -6.332 2.590 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.450 3.550 -4.072 1.00 0.00 H new ATOM 823 N LEU A 69 -3.697 2.759 -5.832 1.00 0.00 N ATOM 824 CA LEU A 69 -2.448 2.368 -6.456 1.00 0.00 C ATOM 825 C LEU A 69 -1.510 3.543 -6.706 1.00 0.00 C ATOM 826 O LEU A 69 -1.925 4.626 -7.118 1.00 0.00 O ATOM 827 CB LEU A 69 -2.739 1.653 -7.764 1.00 0.00 C ATOM 828 CG LEU A 69 -2.855 0.148 -7.623 1.00 0.00 C ATOM 829 CD1 LEU A 69 -4.301 -0.260 -7.387 1.00 0.00 C ATOM 830 CD2 LEU A 69 -2.285 -0.551 -8.843 1.00 0.00 C ATOM 0 H LEU A 69 -4.046 3.670 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.937 1.702 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.667 2.043 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.947 1.882 -8.477 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.272 -0.160 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.362 -1.344 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.667 0.208 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.912 0.063 -8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.378 -1.630 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.833 -0.238 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.233 -0.288 -8.955 1.00 0.00 H new ATOM 842 N VAL A 70 -0.232 3.284 -6.466 1.00 0.00 N ATOM 843 CA VAL A 70 0.832 4.258 -6.663 1.00 0.00 C ATOM 844 C VAL A 70 2.139 3.494 -6.738 1.00 0.00 C ATOM 845 O VAL A 70 2.220 2.399 -6.193 1.00 0.00 O ATOM 846 CB VAL A 70 0.899 5.282 -5.509 1.00 0.00 C ATOM 847 CG1 VAL A 70 -0.097 6.404 -5.741 1.00 0.00 C ATOM 848 CG2 VAL A 70 0.656 4.613 -4.156 1.00 0.00 C ATOM 0 H VAL A 70 0.099 2.381 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 70 0.640 4.818 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 70 1.903 5.705 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.038 7.118 -4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.136 6.909 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.105 5.991 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.710 5.361 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.331 4.150 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.415 3.850 -3.986 1.00 0.00 H new ATOM 858 N PRO A 71 3.191 4.003 -7.386 1.00 0.00 N ATOM 859 CA PRO A 71 4.422 3.264 -7.436 1.00 0.00 C ATOM 860 C PRO A 71 5.140 3.363 -6.104 1.00 0.00 C ATOM 861 O PRO A 71 4.876 4.272 -5.317 1.00 0.00 O ATOM 862 CB PRO A 71 5.220 3.896 -8.576 1.00 0.00 C ATOM 863 CG PRO A 71 4.341 4.981 -9.136 1.00 0.00 C ATOM 864 CD PRO A 71 3.299 5.280 -8.087 1.00 0.00 C ATOM 0 HA PRO A 71 4.273 2.199 -7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.163 4.304 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.464 3.157 -9.339 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.925 5.872 -9.366 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.873 4.658 -10.066 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.611 6.085 -7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.350 5.583 -8.530 1.00 0.00 H new ATOM 872 N SER A 72 6.031 2.420 -5.842 1.00 0.00 N ATOM 873 CA SER A 72 6.786 2.374 -4.595 1.00 0.00 C ATOM 874 C SER A 72 7.306 3.756 -4.183 1.00 0.00 C ATOM 875 O SER A 72 7.501 4.022 -3.002 1.00 0.00 O ATOM 876 CB SER A 72 7.953 1.395 -4.726 1.00 0.00 C ATOM 877 OG SER A 72 8.616 1.221 -3.487 1.00 0.00 O ATOM 0 H SER A 72 6.253 1.662 -6.488 1.00 0.00 H new ATOM 0 HA SER A 72 6.106 2.034 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.586 0.433 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.659 1.763 -5.471 1.00 0.00 H new ATOM 0 HG SER A 72 9.357 0.589 -3.598 1.00 0.00 H new ATOM 883 N SER A 73 7.520 4.638 -5.160 1.00 0.00 N ATOM 884 CA SER A 73 8.001 5.989 -4.876 1.00 0.00 C ATOM 885 C SER A 73 7.084 6.691 -3.873 1.00 0.00 C ATOM 886 O SER A 73 7.551 7.419 -3.000 1.00 0.00 O ATOM 887 CB SER A 73 8.085 6.805 -6.167 1.00 0.00 C ATOM 888 OG SER A 73 7.140 6.350 -7.121 1.00 0.00 O ATOM 0 H SER A 73 7.369 4.442 -6.150 1.00 0.00 H new ATOM 0 HA SER A 73 8.997 5.911 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.907 7.858 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.090 6.732 -6.583 1.00 0.00 H new ATOM 0 HG SER A 73 7.213 6.889 -7.936 1.00 0.00 H new ATOM 894 N THR A 74 5.778 6.455 -4.000 1.00 0.00 N ATOM 895 CA THR A 74 4.792 7.052 -3.096 1.00 0.00 C ATOM 896 C THR A 74 4.375 6.044 -2.026 1.00 0.00 C ATOM 897 O THR A 74 3.320 6.177 -1.418 1.00 0.00 O ATOM 898 CB THR A 74 3.555 7.554 -3.876 1.00 0.00 C ATOM 899 OG1 THR A 74 2.366 6.860 -3.530 1.00 0.00 O ATOM 900 CG2 THR A 74 3.704 7.437 -5.363 1.00 0.00 C ATOM 0 H THR A 74 5.377 5.854 -4.720 1.00 0.00 H new ATOM 0 HA THR A 74 5.254 7.911 -2.609 1.00 0.00 H new ATOM 0 HB THR A 74 3.482 8.603 -3.589 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.198 6.958 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.801 7.806 -5.849 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.560 8.027 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.859 6.392 -5.632 1.00 0.00 H new ATOM 908 N LEU A 75 5.203 5.038 -1.801 1.00 0.00 N ATOM 909 CA LEU A 75 4.915 4.027 -0.817 1.00 0.00 C ATOM 910 C LEU A 75 6.179 3.643 -0.059 1.00 0.00 C ATOM 911 O LEU A 75 7.282 3.667 -0.598 1.00 0.00 O ATOM 912 CB LEU A 75 4.304 2.812 -1.502 1.00 0.00 C ATOM 913 CG LEU A 75 2.908 3.056 -2.095 1.00 0.00 C ATOM 914 CD1 LEU A 75 2.879 2.709 -3.579 1.00 0.00 C ATOM 915 CD2 LEU A 75 1.844 2.265 -1.341 1.00 0.00 C ATOM 0 H LEU A 75 6.086 4.906 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 75 4.201 4.422 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.972 2.484 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.242 1.996 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 75 2.683 4.117 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.880 2.890 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.599 3.330 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.137 1.658 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.866 2.457 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.068 1.200 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.836 2.571 -0.295 1.00 0.00 H new