USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 344 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 11 THR OG1 : rot 180:sc= -0.0143 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 49:sc= 0.915 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -13:sc= -1.97! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.781 K(o=-0.78,f=-1.9) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.487 K(o=-0.49,f=-4.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.65 K(o=-1.7,f=-2.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 10 4.337 -11.736 -13.103 1.00 0.00 N ATOM 12 CA ALA A 10 3.275 -11.601 -12.107 1.00 0.00 C ATOM 13 C ALA A 10 2.419 -12.862 -12.066 1.00 0.00 C ATOM 14 O ALA A 10 2.652 -13.806 -12.820 1.00 0.00 O ATOM 15 CB ALA A 10 2.398 -10.390 -12.438 1.00 0.00 C ATOM 0 HA ALA A 10 3.733 -11.456 -11.129 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.610 -10.297 -11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.009 -9.487 -12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.951 -10.523 -13.423 1.00 0.00 H new ATOM 21 N THR A 11 1.427 -12.873 -11.177 1.00 0.00 N ATOM 22 CA THR A 11 0.536 -14.022 -11.033 1.00 0.00 C ATOM 23 C THR A 11 -0.885 -13.557 -10.728 1.00 0.00 C ATOM 24 O THR A 11 -1.085 -12.521 -10.093 1.00 0.00 O ATOM 25 CB THR A 11 1.040 -14.920 -9.900 1.00 0.00 C ATOM 26 OG1 THR A 11 2.419 -15.204 -10.101 1.00 0.00 O ATOM 27 CG2 THR A 11 0.249 -16.227 -9.882 1.00 0.00 C ATOM 0 H THR A 11 1.220 -12.099 -10.546 1.00 0.00 H new ATOM 0 HA THR A 11 0.527 -14.583 -11.968 1.00 0.00 H new ATOM 0 HB THR A 11 0.906 -14.407 -8.948 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.744 -15.778 -9.376 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.613 -16.861 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.808 -16.011 -9.726 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.377 -16.743 -10.834 1.00 0.00 H new ATOM 35 N MET A 12 -1.868 -14.328 -11.186 1.00 0.00 N ATOM 36 CA MET A 12 -3.265 -13.982 -10.955 1.00 0.00 C ATOM 37 C MET A 12 -3.527 -13.760 -9.469 1.00 0.00 C ATOM 38 O MET A 12 -4.431 -13.012 -9.094 1.00 0.00 O ATOM 39 CB MET A 12 -4.174 -15.101 -11.471 1.00 0.00 C ATOM 40 CG MET A 12 -3.676 -16.448 -10.943 1.00 0.00 C ATOM 41 SD MET A 12 -4.968 -17.697 -11.168 1.00 0.00 S ATOM 42 CE MET A 12 -4.102 -19.067 -10.364 1.00 0.00 C ATOM 0 H MET A 12 -1.724 -15.189 -11.714 1.00 0.00 H new ATOM 0 HA MET A 12 -3.482 -13.059 -11.492 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.200 -14.929 -11.147 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.180 -15.105 -12.561 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.771 -16.746 -11.472 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.416 -16.364 -9.888 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.729 -19.958 -10.389 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.168 -19.266 -10.890 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.887 -18.804 -9.328 1.00 0.00 H new ATOM 52 N LYS A 13 -2.733 -14.414 -8.629 1.00 0.00 N ATOM 53 CA LYS A 13 -2.889 -14.282 -7.188 1.00 0.00 C ATOM 54 C LYS A 13 -2.407 -12.915 -6.718 1.00 0.00 C ATOM 55 O LYS A 13 -3.041 -12.283 -5.873 1.00 0.00 O ATOM 56 CB LYS A 13 -2.097 -15.377 -6.473 1.00 0.00 C ATOM 57 CG LYS A 13 -2.529 -15.446 -5.007 1.00 0.00 C ATOM 58 CD LYS A 13 -1.520 -16.278 -4.212 1.00 0.00 C ATOM 59 CE LYS A 13 -1.502 -17.715 -4.745 1.00 0.00 C ATOM 60 NZ LYS A 13 -0.870 -18.609 -3.735 1.00 0.00 N ATOM 0 H LYS A 13 -1.980 -15.037 -8.920 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.947 -14.383 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.266 -16.338 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.029 -15.170 -6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.596 -14.441 -4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.522 -15.890 -4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.526 -15.837 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.785 -16.275 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.518 -18.049 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.949 -17.760 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.857 -19.585 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.104 -18.294 -3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.416 -18.574 -2.850 1.00 0.00 H new ATOM 74 N ASP A 14 -1.283 -12.465 -7.264 1.00 0.00 N ATOM 75 CA ASP A 14 -0.731 -11.176 -6.883 1.00 0.00 C ATOM 76 C ASP A 14 -1.690 -10.056 -7.254 1.00 0.00 C ATOM 77 O ASP A 14 -1.790 -9.053 -6.546 1.00 0.00 O ATOM 78 CB ASP A 14 0.613 -10.955 -7.582 1.00 0.00 C ATOM 79 CG ASP A 14 1.655 -11.917 -7.023 1.00 0.00 C ATOM 80 OD1 ASP A 14 1.304 -12.702 -6.157 1.00 0.00 O ATOM 81 OD2 ASP A 14 2.788 -11.856 -7.470 1.00 0.00 O ATOM 0 H ASP A 14 -0.742 -12.971 -7.966 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.582 -11.169 -5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.504 -11.108 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.942 -9.926 -7.439 1.00 0.00 H new ATOM 86 N VAL A 15 -2.392 -10.226 -8.368 1.00 0.00 N ATOM 87 CA VAL A 15 -3.336 -9.216 -8.822 1.00 0.00 C ATOM 88 C VAL A 15 -4.483 -9.067 -7.826 1.00 0.00 C ATOM 89 O VAL A 15 -4.967 -7.961 -7.589 1.00 0.00 O ATOM 90 CB VAL A 15 -3.880 -9.604 -10.202 1.00 0.00 C ATOM 91 CG1 VAL A 15 -5.049 -8.694 -10.588 1.00 0.00 C ATOM 92 CG2 VAL A 15 -2.766 -9.464 -11.244 1.00 0.00 C ATOM 0 H VAL A 15 -2.326 -11.048 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.820 -8.258 -8.895 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.230 -10.636 -10.166 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.425 -8.981 -11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.846 -8.793 -9.851 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.710 -7.659 -10.618 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.150 -9.739 -12.226 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.417 -8.432 -11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.937 -10.121 -10.981 1.00 0.00 H new ATOM 102 N ALA A 16 -4.913 -10.181 -7.248 1.00 0.00 N ATOM 103 CA ALA A 16 -6.005 -10.143 -6.281 1.00 0.00 C ATOM 104 C ALA A 16 -5.703 -9.120 -5.194 1.00 0.00 C ATOM 105 O ALA A 16 -6.557 -8.313 -4.828 1.00 0.00 O ATOM 106 CB ALA A 16 -6.199 -11.523 -5.649 1.00 0.00 C ATOM 0 H ALA A 16 -4.530 -11.109 -7.427 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.920 -9.857 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.017 -11.482 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.436 -12.249 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.283 -11.822 -5.140 1.00 0.00 H new ATOM 112 N LEU A 17 -4.478 -9.162 -4.683 1.00 0.00 N ATOM 113 CA LEU A 17 -4.069 -8.233 -3.632 1.00 0.00 C ATOM 114 C LEU A 17 -4.018 -6.806 -4.176 1.00 0.00 C ATOM 115 O LEU A 17 -4.403 -5.858 -3.491 1.00 0.00 O ATOM 116 CB LEU A 17 -2.688 -8.633 -3.076 1.00 0.00 C ATOM 117 CG LEU A 17 -2.837 -9.789 -2.058 1.00 0.00 C ATOM 118 CD1 LEU A 17 -1.523 -10.576 -1.969 1.00 0.00 C ATOM 119 CD2 LEU A 17 -3.174 -9.230 -0.665 1.00 0.00 C ATOM 0 H LEU A 17 -3.756 -9.821 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.801 -8.277 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.034 -8.939 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.218 -7.774 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.641 -10.444 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.633 -11.389 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.278 -10.988 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.722 -9.912 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.276 -10.053 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.374 -8.566 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.110 -8.674 -0.713 1.00 0.00 H new ATOM 131 N LYS A 18 -3.539 -6.662 -5.406 1.00 0.00 N ATOM 132 CA LYS A 18 -3.442 -5.344 -6.027 1.00 0.00 C ATOM 133 C LYS A 18 -4.827 -4.738 -6.243 1.00 0.00 C ATOM 134 O LYS A 18 -4.997 -3.521 -6.179 1.00 0.00 O ATOM 135 CB LYS A 18 -2.718 -5.455 -7.370 1.00 0.00 C ATOM 136 CG LYS A 18 -2.678 -4.079 -8.045 1.00 0.00 C ATOM 137 CD LYS A 18 -1.641 -4.090 -9.172 1.00 0.00 C ATOM 138 CE LYS A 18 -1.958 -5.222 -10.154 1.00 0.00 C ATOM 139 NZ LYS A 18 -1.221 -4.994 -11.428 1.00 0.00 N ATOM 0 H LYS A 18 -3.214 -7.433 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.879 -4.693 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.705 -5.827 -7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.229 -6.172 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.661 -3.830 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.427 -3.311 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.645 -3.132 -9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.641 -4.224 -8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.673 -6.182 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.030 -5.263 -10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.436 -5.762 -12.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.513 -4.085 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.198 -4.975 -11.239 1.00 0.00 H new ATOM 153 N ALA A 19 -5.816 -5.595 -6.503 1.00 0.00 N ATOM 154 CA ALA A 19 -7.191 -5.136 -6.732 1.00 0.00 C ATOM 155 C ALA A 19 -8.071 -5.434 -5.518 1.00 0.00 C ATOM 156 O ALA A 19 -9.296 -5.346 -5.598 1.00 0.00 O ATOM 157 CB ALA A 19 -7.764 -5.831 -7.973 1.00 0.00 C ATOM 0 H ALA A 19 -5.694 -6.606 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.177 -4.058 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.785 -5.490 -8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.152 -5.588 -8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.763 -6.910 -7.819 1.00 0.00 H new ATOM 163 N LYS A 20 -7.432 -5.791 -4.402 1.00 0.00 N ATOM 164 CA LYS A 20 -8.148 -6.107 -3.161 1.00 0.00 C ATOM 165 C LYS A 20 -9.473 -6.809 -3.448 1.00 0.00 C ATOM 166 O LYS A 20 -10.516 -6.440 -2.910 1.00 0.00 O ATOM 167 CB LYS A 20 -8.396 -4.831 -2.342 1.00 0.00 C ATOM 168 CG LYS A 20 -9.171 -3.798 -3.177 1.00 0.00 C ATOM 169 CD LYS A 20 -9.697 -2.685 -2.263 1.00 0.00 C ATOM 170 CE LYS A 20 -8.532 -1.842 -1.736 1.00 0.00 C ATOM 171 NZ LYS A 20 -9.062 -0.583 -1.141 1.00 0.00 N ATOM 0 H LYS A 20 -6.417 -5.869 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.522 -6.785 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.958 -5.074 -1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.445 -4.407 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.522 -3.376 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.001 -4.281 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.395 -2.052 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.249 -3.119 -1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.972 -2.403 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.840 -1.611 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.272 -0.009 -0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.578 -0.046 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.706 -0.814 -0.358 1.00 0.00 H new ATOM 185 N VAL A 21 -9.417 -7.819 -4.307 1.00 0.00 N ATOM 186 CA VAL A 21 -10.614 -8.565 -4.674 1.00 0.00 C ATOM 187 C VAL A 21 -11.121 -9.391 -3.495 1.00 0.00 C ATOM 188 O VAL A 21 -12.060 -8.992 -2.808 1.00 0.00 O ATOM 189 CB VAL A 21 -10.315 -9.479 -5.864 1.00 0.00 C ATOM 190 CG1 VAL A 21 -11.625 -10.027 -6.429 1.00 0.00 C ATOM 191 CG2 VAL A 21 -9.595 -8.677 -6.951 1.00 0.00 C ATOM 0 H VAL A 21 -8.561 -8.139 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.391 -7.854 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.684 -10.305 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.411 -10.678 -7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.145 -10.595 -5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.254 -9.200 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.381 -9.326 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.230 -7.852 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.661 -8.281 -6.552 1.00 0.00 H new ATOM 201 N SER A 22 -10.495 -10.538 -3.268 1.00 0.00 N ATOM 202 CA SER A 22 -10.890 -11.416 -2.169 1.00 0.00 C ATOM 203 C SER A 22 -10.236 -12.787 -2.326 1.00 0.00 C ATOM 204 O SER A 22 -10.296 -13.397 -3.393 1.00 0.00 O ATOM 205 CB SER A 22 -12.421 -11.556 -2.134 1.00 0.00 C ATOM 206 OG SER A 22 -12.963 -10.549 -1.288 1.00 0.00 O ATOM 0 H SER A 22 -9.714 -10.883 -3.826 1.00 0.00 H new ATOM 0 HA SER A 22 -10.555 -10.978 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.830 -11.462 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.700 -12.544 -1.768 1.00 0.00 H new ATOM 0 HG SER A 22 -12.585 -9.678 -1.532 1.00 0.00 H new ATOM 212 N THR A 23 -9.609 -13.261 -1.258 1.00 0.00 N ATOM 213 CA THR A 23 -8.942 -14.557 -1.289 1.00 0.00 C ATOM 214 C THR A 23 -9.882 -15.644 -1.812 1.00 0.00 C ATOM 215 O THR A 23 -9.435 -16.619 -2.417 1.00 0.00 O ATOM 216 CB THR A 23 -8.445 -14.925 0.118 1.00 0.00 C ATOM 217 OG1 THR A 23 -7.506 -15.985 0.020 1.00 0.00 O ATOM 218 CG2 THR A 23 -9.619 -15.365 1.001 1.00 0.00 C ATOM 0 H THR A 23 -9.548 -12.772 -0.365 1.00 0.00 H new ATOM 0 HA THR A 23 -8.090 -14.487 -1.966 1.00 0.00 H new ATOM 0 HB THR A 23 -7.974 -14.051 0.568 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.185 -16.222 0.915 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.251 -15.622 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.339 -14.551 1.081 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.102 -16.235 0.557 1.00 0.00 H new ATOM 226 N ALA A 24 -11.181 -15.475 -1.579 1.00 0.00 N ATOM 227 CA ALA A 24 -12.165 -16.454 -2.035 1.00 0.00 C ATOM 228 C ALA A 24 -12.475 -16.276 -3.519 1.00 0.00 C ATOM 229 O ALA A 24 -12.614 -17.251 -4.256 1.00 0.00 O ATOM 230 CB ALA A 24 -13.455 -16.310 -1.225 1.00 0.00 C ATOM 0 H ALA A 24 -11.575 -14.676 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.744 -17.449 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.185 -17.043 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.242 -16.479 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.858 -15.306 -1.358 1.00 0.00 H new ATOM 236 N THR A 25 -12.597 -15.022 -3.947 1.00 0.00 N ATOM 237 CA THR A 25 -12.910 -14.745 -5.346 1.00 0.00 C ATOM 238 C THR A 25 -11.854 -15.372 -6.246 1.00 0.00 C ATOM 239 O THR A 25 -12.149 -16.279 -7.024 1.00 0.00 O ATOM 240 CB THR A 25 -12.967 -13.234 -5.590 1.00 0.00 C ATOM 241 OG1 THR A 25 -11.841 -12.614 -4.986 1.00 0.00 O ATOM 242 CG2 THR A 25 -14.251 -12.663 -4.984 1.00 0.00 C ATOM 0 H THR A 25 -12.486 -14.196 -3.359 1.00 0.00 H new ATOM 0 HA THR A 25 -13.884 -15.176 -5.578 1.00 0.00 H new ATOM 0 HB THR A 25 -12.957 -13.041 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.402 -13.249 -4.383 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.289 -11.588 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.115 -13.137 -5.449 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.265 -12.857 -3.911 1.00 0.00 H new ATOM 250 N VAL A 26 -10.626 -14.885 -6.137 1.00 0.00 N ATOM 251 CA VAL A 26 -9.537 -15.408 -6.950 1.00 0.00 C ATOM 252 C VAL A 26 -9.475 -16.934 -6.855 1.00 0.00 C ATOM 253 O VAL A 26 -9.135 -17.611 -7.825 1.00 0.00 O ATOM 254 CB VAL A 26 -8.208 -14.791 -6.492 1.00 0.00 C ATOM 255 CG1 VAL A 26 -7.746 -15.437 -5.179 1.00 0.00 C ATOM 256 CG2 VAL A 26 -7.141 -15.016 -7.567 1.00 0.00 C ATOM 0 H VAL A 26 -10.360 -14.135 -5.499 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.716 -15.140 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.354 -13.723 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.802 -14.990 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.499 -15.273 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.608 -16.508 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.198 -14.578 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.007 -16.086 -7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.457 -14.545 -8.498 1.00 0.00 H new ATOM 266 N SER A 27 -9.800 -17.464 -5.680 1.00 0.00 N ATOM 267 CA SER A 27 -9.774 -18.907 -5.470 1.00 0.00 C ATOM 268 C SER A 27 -10.992 -19.569 -6.108 1.00 0.00 C ATOM 269 O SER A 27 -10.915 -20.700 -6.587 1.00 0.00 O ATOM 270 CB SER A 27 -9.750 -19.218 -3.973 1.00 0.00 C ATOM 271 OG SER A 27 -10.135 -20.570 -3.767 1.00 0.00 O ATOM 0 H SER A 27 -10.082 -16.921 -4.864 1.00 0.00 H new ATOM 0 HA SER A 27 -8.873 -19.303 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.752 -19.047 -3.571 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.427 -18.550 -3.440 1.00 0.00 H new ATOM 0 HG SER A 27 -10.119 -20.772 -2.808 1.00 0.00 H new ATOM 277 N ARG A 28 -12.110 -18.852 -6.121 1.00 0.00 N ATOM 278 CA ARG A 28 -13.339 -19.371 -6.717 1.00 0.00 C ATOM 279 C ARG A 28 -13.319 -19.160 -8.226 1.00 0.00 C ATOM 280 O ARG A 28 -14.056 -19.808 -8.969 1.00 0.00 O ATOM 281 CB ARG A 28 -14.554 -18.656 -6.115 1.00 0.00 C ATOM 282 CG ARG A 28 -14.745 -19.080 -4.645 1.00 0.00 C ATOM 283 CD ARG A 28 -15.622 -20.335 -4.562 1.00 0.00 C ATOM 284 NE ARG A 28 -15.688 -20.814 -3.187 1.00 0.00 N ATOM 285 CZ ARG A 28 -14.679 -21.491 -2.647 1.00 0.00 C ATOM 286 NH1 ARG A 28 -13.608 -21.738 -3.351 1.00 0.00 N ATOM 287 NH2 ARG A 28 -14.759 -21.910 -1.414 1.00 0.00 N ATOM 0 H ARG A 28 -12.193 -17.914 -5.728 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.408 -20.438 -6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.417 -17.576 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.448 -18.896 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.775 -19.275 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -15.206 -18.268 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.625 -20.111 -4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.216 -21.114 -5.207 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.522 -20.627 -2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.545 -21.412 -4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.834 -22.257 -2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.596 -21.718 -0.864 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.985 -22.429 -1.001 1.00 0.00 H new ATOM 301 N ALA A 29 -12.470 -18.240 -8.662 1.00 0.00 N ATOM 302 CA ALA A 29 -12.348 -17.924 -10.081 1.00 0.00 C ATOM 303 C ALA A 29 -12.200 -19.195 -10.914 1.00 0.00 C ATOM 304 O ALA A 29 -12.448 -19.184 -12.120 1.00 0.00 O ATOM 305 CB ALA A 29 -11.136 -17.019 -10.317 1.00 0.00 C ATOM 0 H ALA A 29 -11.855 -17.699 -8.055 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.257 -17.407 -10.389 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.055 -16.790 -11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.258 -16.094 -9.754 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.231 -17.529 -9.986 1.00 0.00 H new ATOM 311 N LEU A 30 -11.795 -20.288 -10.268 1.00 0.00 N ATOM 312 CA LEU A 30 -11.620 -21.564 -10.967 1.00 0.00 C ATOM 313 C LEU A 30 -12.796 -22.495 -10.682 1.00 0.00 C ATOM 314 O LEU A 30 -13.001 -23.483 -11.387 1.00 0.00 O ATOM 315 CB LEU A 30 -10.303 -22.227 -10.518 1.00 0.00 C ATOM 316 CG LEU A 30 -10.368 -22.608 -9.009 1.00 0.00 C ATOM 317 CD1 LEU A 30 -10.674 -24.104 -8.838 1.00 0.00 C ATOM 318 CD2 LEU A 30 -9.021 -22.308 -8.334 1.00 0.00 C ATOM 0 H LEU A 30 -11.583 -20.318 -9.271 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.580 -21.374 -12.040 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.116 -23.119 -11.116 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.469 -21.546 -10.691 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.161 -22.019 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.715 -24.348 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.634 -24.334 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.891 -24.693 -9.316 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.075 -22.577 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.235 -22.888 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.796 -21.245 -8.426 1.00 0.00 H new ATOM 330 N MET A 31 -13.566 -22.170 -9.646 1.00 0.00 N ATOM 331 CA MET A 31 -14.730 -22.978 -9.270 1.00 0.00 C ATOM 332 C MET A 31 -16.014 -22.337 -9.787 1.00 0.00 C ATOM 333 O MET A 31 -16.812 -22.980 -10.471 1.00 0.00 O ATOM 334 CB MET A 31 -14.808 -23.104 -7.747 1.00 0.00 C ATOM 335 CG MET A 31 -13.585 -23.862 -7.228 1.00 0.00 C ATOM 336 SD MET A 31 -13.884 -24.400 -5.527 1.00 0.00 S ATOM 337 CE MET A 31 -12.374 -25.378 -5.328 1.00 0.00 C ATOM 0 H MET A 31 -13.408 -21.356 -9.052 1.00 0.00 H new ATOM 0 HA MET A 31 -14.620 -23.967 -9.715 1.00 0.00 H new ATOM 0 HB2 MET A 31 -14.854 -22.114 -7.293 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.720 -23.628 -7.462 1.00 0.00 H new ATOM 0 HG2 MET A 31 -13.382 -24.724 -7.863 1.00 0.00 H new ATOM 0 HG3 MET A 31 -12.703 -23.222 -7.268 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.351 -25.812 -4.328 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.357 -26.176 -6.071 1.00 0.00 H new ATOM 0 HE3 MET A 31 -11.504 -24.736 -5.465 1.00 0.00 H new ATOM 347 N ASN A 32 -16.207 -21.064 -9.451 1.00 0.00 N ATOM 348 CA ASN A 32 -17.398 -20.326 -9.875 1.00 0.00 C ATOM 349 C ASN A 32 -17.042 -18.870 -10.176 1.00 0.00 C ATOM 350 O ASN A 32 -17.207 -18.002 -9.319 1.00 0.00 O ATOM 351 CB ASN A 32 -18.450 -20.370 -8.765 1.00 0.00 C ATOM 352 CG ASN A 32 -18.847 -21.813 -8.476 1.00 0.00 C ATOM 353 OD1 ASN A 32 -19.132 -22.575 -9.399 1.00 0.00 O ATOM 354 ND2 ASN A 32 -18.880 -22.236 -7.242 1.00 0.00 N ATOM 0 H ASN A 32 -15.555 -20.520 -8.886 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.794 -20.789 -10.779 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.056 -19.905 -7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -19.328 -19.796 -9.062 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -19.143 -23.201 -7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.643 -21.602 -6.479 1.00 0.00 H new ATOM 361 N PRO A 33 -16.554 -18.582 -11.359 1.00 0.00 N ATOM 362 CA PRO A 33 -16.167 -17.196 -11.744 1.00 0.00 C ATOM 363 C PRO A 33 -17.375 -16.360 -12.169 1.00 0.00 C ATOM 364 O PRO A 33 -17.470 -15.920 -13.314 1.00 0.00 O ATOM 365 CB PRO A 33 -15.195 -17.417 -12.908 1.00 0.00 C ATOM 366 CG PRO A 33 -15.663 -18.681 -13.563 1.00 0.00 C ATOM 367 CD PRO A 33 -16.313 -19.535 -12.460 1.00 0.00 C ATOM 0 HA PRO A 33 -15.727 -16.637 -10.919 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.216 -16.579 -13.605 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.169 -17.512 -12.554 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -16.378 -18.464 -14.357 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.829 -19.211 -14.022 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.242 -19.990 -12.804 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.657 -20.348 -12.147 1.00 0.00 H new ATOM 375 N ASP A 34 -18.296 -16.147 -11.233 1.00 0.00 N ATOM 376 CA ASP A 34 -19.497 -15.365 -11.510 1.00 0.00 C ATOM 377 C ASP A 34 -20.044 -14.755 -10.223 1.00 0.00 C ATOM 378 O ASP A 34 -21.256 -14.625 -10.052 1.00 0.00 O ATOM 379 CB ASP A 34 -20.565 -16.255 -12.150 1.00 0.00 C ATOM 380 CG ASP A 34 -21.727 -15.401 -12.646 1.00 0.00 C ATOM 381 OD1 ASP A 34 -21.465 -14.371 -13.245 1.00 0.00 O ATOM 382 OD2 ASP A 34 -22.861 -15.790 -12.420 1.00 0.00 O ATOM 0 H ASP A 34 -18.234 -16.504 -10.279 1.00 0.00 H new ATOM 0 HA ASP A 34 -19.235 -14.562 -12.199 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -20.134 -16.815 -12.980 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -20.923 -16.986 -11.425 1.00 0.00 H new ATOM 387 N LYS A 35 -19.138 -14.382 -9.318 1.00 0.00 N ATOM 388 CA LYS A 35 -19.525 -13.781 -8.037 1.00 0.00 C ATOM 389 C LYS A 35 -18.841 -12.431 -7.858 1.00 0.00 C ATOM 390 O LYS A 35 -19.228 -11.639 -6.999 1.00 0.00 O ATOM 391 CB LYS A 35 -19.129 -14.710 -6.887 1.00 0.00 C ATOM 392 CG LYS A 35 -19.691 -14.168 -5.572 1.00 0.00 C ATOM 393 CD LYS A 35 -19.528 -15.219 -4.472 1.00 0.00 C ATOM 394 CE LYS A 35 -20.245 -14.749 -3.206 1.00 0.00 C ATOM 395 NZ LYS A 35 -19.944 -15.686 -2.088 1.00 0.00 N ATOM 0 H LYS A 35 -18.131 -14.485 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 35 -20.605 -13.636 -8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.510 -15.715 -7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.043 -14.787 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.171 -13.251 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.744 -13.913 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.939 -16.173 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.470 -15.382 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.923 -13.741 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.320 -14.706 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.432 -15.367 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.272 -16.641 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.918 -15.706 -1.918 1.00 0.00 H new ATOM 409 N VAL A 36 -17.828 -12.172 -8.676 1.00 0.00 N ATOM 410 CA VAL A 36 -17.104 -10.912 -8.601 1.00 0.00 C ATOM 411 C VAL A 36 -18.019 -9.759 -8.995 1.00 0.00 C ATOM 412 O VAL A 36 -18.870 -9.900 -9.873 1.00 0.00 O ATOM 413 CB VAL A 36 -15.894 -10.949 -9.535 1.00 0.00 C ATOM 414 CG1 VAL A 36 -15.188 -9.592 -9.512 1.00 0.00 C ATOM 415 CG2 VAL A 36 -14.921 -12.036 -9.067 1.00 0.00 C ATOM 0 H VAL A 36 -17.492 -12.814 -9.394 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.763 -10.764 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.226 -11.169 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.326 -9.619 -10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.879 -8.817 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.856 -9.372 -8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -14.058 -12.063 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.590 -11.816 -8.052 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -15.422 -13.004 -9.083 1.00 0.00 H new ATOM 425 N SER A 37 -17.837 -8.619 -8.343 1.00 0.00 N ATOM 426 CA SER A 37 -18.653 -7.448 -8.637 1.00 0.00 C ATOM 427 C SER A 37 -18.488 -7.046 -10.098 1.00 0.00 C ATOM 428 O SER A 37 -17.408 -7.185 -10.668 1.00 0.00 O ATOM 429 CB SER A 37 -18.262 -6.279 -7.727 1.00 0.00 C ATOM 430 OG SER A 37 -19.316 -5.324 -7.716 1.00 0.00 O ATOM 0 H SER A 37 -17.138 -8.480 -7.613 1.00 0.00 H new ATOM 0 HA SER A 37 -19.697 -7.700 -8.453 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.069 -6.638 -6.716 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.341 -5.818 -8.082 1.00 0.00 H new ATOM 0 HG SER A 37 -19.072 -4.574 -7.134 1.00 0.00 H new ATOM 436 N GLN A 38 -19.565 -6.560 -10.697 1.00 0.00 N ATOM 437 CA GLN A 38 -19.534 -6.153 -12.097 1.00 0.00 C ATOM 438 C GLN A 38 -18.318 -5.277 -12.375 1.00 0.00 C ATOM 439 O GLN A 38 -17.537 -5.557 -13.285 1.00 0.00 O ATOM 440 CB GLN A 38 -20.818 -5.389 -12.452 1.00 0.00 C ATOM 441 CG GLN A 38 -21.970 -6.378 -12.666 1.00 0.00 C ATOM 442 CD GLN A 38 -21.820 -7.070 -14.016 1.00 0.00 C ATOM 443 OE1 GLN A 38 -21.684 -8.292 -14.078 1.00 0.00 O ATOM 444 NE2 GLN A 38 -21.833 -6.357 -15.110 1.00 0.00 N ATOM 0 H GLN A 38 -20.468 -6.438 -10.239 1.00 0.00 H new ATOM 0 HA GLN A 38 -19.467 -7.049 -12.714 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -21.069 -4.691 -11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -20.662 -4.798 -13.354 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -21.977 -7.119 -11.867 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -22.924 -5.853 -12.621 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -21.946 -5.345 -15.058 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -21.730 -6.813 -16.017 1.00 0.00 H new ATOM 453 N ALA A 39 -18.163 -4.212 -11.597 1.00 0.00 N ATOM 454 CA ALA A 39 -17.035 -3.313 -11.796 1.00 0.00 C ATOM 455 C ALA A 39 -15.728 -4.077 -11.619 1.00 0.00 C ATOM 456 O ALA A 39 -14.855 -4.045 -12.486 1.00 0.00 O ATOM 457 CB ALA A 39 -17.094 -2.156 -10.791 1.00 0.00 C ATOM 0 H ALA A 39 -18.792 -3.954 -10.836 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.084 -2.908 -12.807 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.245 -1.492 -10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.021 -1.600 -10.930 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.058 -2.553 -9.777 1.00 0.00 H new ATOM 463 N THR A 40 -15.599 -4.758 -10.486 1.00 0.00 N ATOM 464 CA THR A 40 -14.394 -5.522 -10.195 1.00 0.00 C ATOM 465 C THR A 40 -14.195 -6.633 -11.221 1.00 0.00 C ATOM 466 O THR A 40 -13.075 -7.091 -11.442 1.00 0.00 O ATOM 467 CB THR A 40 -14.500 -6.133 -8.795 1.00 0.00 C ATOM 468 OG1 THR A 40 -14.674 -5.096 -7.841 1.00 0.00 O ATOM 469 CG2 THR A 40 -13.228 -6.919 -8.471 1.00 0.00 C ATOM 0 H THR A 40 -16.312 -4.796 -9.757 1.00 0.00 H new ATOM 0 HA THR A 40 -13.538 -4.849 -10.242 1.00 0.00 H new ATOM 0 HB THR A 40 -15.354 -6.809 -8.761 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.744 -5.485 -6.944 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.311 -7.351 -7.474 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.097 -7.717 -9.202 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.368 -6.250 -8.506 1.00 0.00 H new ATOM 477 N ARG A 41 -15.287 -7.064 -11.840 1.00 0.00 N ATOM 478 CA ARG A 41 -15.217 -8.127 -12.836 1.00 0.00 C ATOM 479 C ARG A 41 -14.536 -7.630 -14.107 1.00 0.00 C ATOM 480 O ARG A 41 -13.715 -8.332 -14.696 1.00 0.00 O ATOM 481 CB ARG A 41 -16.621 -8.631 -13.171 1.00 0.00 C ATOM 482 CG ARG A 41 -16.521 -9.857 -14.079 1.00 0.00 C ATOM 483 CD ARG A 41 -17.914 -10.452 -14.292 1.00 0.00 C ATOM 484 NE ARG A 41 -18.716 -9.570 -15.130 1.00 0.00 N ATOM 485 CZ ARG A 41 -19.828 -10.003 -15.716 1.00 0.00 C ATOM 486 NH1 ARG A 41 -20.217 -11.237 -15.544 1.00 0.00 N ATOM 487 NH2 ARG A 41 -20.529 -9.195 -16.463 1.00 0.00 N ATOM 0 H ARG A 41 -16.224 -6.698 -11.672 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.630 -8.945 -12.419 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.155 -8.886 -12.256 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.192 -7.845 -13.665 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.083 -9.578 -15.037 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.861 -10.601 -13.632 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.831 -11.433 -14.760 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.406 -10.598 -13.330 1.00 0.00 H new ATOM 0 HE ARG A 41 -18.419 -8.604 -15.269 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.668 -11.868 -14.960 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -21.070 -11.570 -15.993 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.224 -8.231 -16.597 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.382 -9.527 -16.913 1.00 0.00 H new ATOM 501 N ASN A 42 -14.891 -6.422 -14.527 1.00 0.00 N ATOM 502 CA ASN A 42 -14.310 -5.849 -15.737 1.00 0.00 C ATOM 503 C ASN A 42 -12.817 -5.597 -15.552 1.00 0.00 C ATOM 504 O ASN A 42 -12.037 -5.723 -16.497 1.00 0.00 O ATOM 505 CB ASN A 42 -15.011 -4.535 -16.088 1.00 0.00 C ATOM 506 CG ASN A 42 -14.530 -4.035 -17.446 1.00 0.00 C ATOM 507 OD1 ASN A 42 -13.531 -4.528 -17.971 1.00 0.00 O ATOM 508 ND2 ASN A 42 -15.185 -3.080 -18.049 1.00 0.00 N ATOM 0 H ASN A 42 -15.570 -5.825 -14.055 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.448 -6.561 -16.550 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -16.091 -4.683 -16.107 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.805 -3.787 -15.322 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.870 -2.740 -18.958 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -16.012 -2.674 -17.612 1.00 0.00 H new ATOM 515 N ARG A 43 -12.425 -5.247 -14.333 1.00 0.00 N ATOM 516 CA ARG A 43 -11.022 -4.984 -14.039 1.00 0.00 C ATOM 517 C ARG A 43 -10.217 -6.274 -14.114 1.00 0.00 C ATOM 518 O ARG A 43 -9.122 -6.305 -14.675 1.00 0.00 O ATOM 519 CB ARG A 43 -10.885 -4.374 -12.643 1.00 0.00 C ATOM 520 CG ARG A 43 -9.461 -3.851 -12.452 1.00 0.00 C ATOM 521 CD ARG A 43 -9.266 -3.413 -10.998 1.00 0.00 C ATOM 522 NE ARG A 43 -10.327 -2.496 -10.601 1.00 0.00 N ATOM 523 CZ ARG A 43 -10.178 -1.681 -9.562 1.00 0.00 C ATOM 524 NH1 ARG A 43 -9.066 -1.693 -8.878 1.00 0.00 N ATOM 525 NH2 ARG A 43 -11.141 -0.867 -9.226 1.00 0.00 N ATOM 0 H ARG A 43 -13.054 -5.139 -13.537 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.637 -4.281 -14.778 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.602 -3.562 -12.517 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.114 -5.122 -11.884 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.740 -4.627 -12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.278 -3.012 -13.123 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.266 -4.286 -10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.296 -2.929 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.199 -2.480 -11.130 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.312 -2.328 -9.141 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.951 -1.068 -8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.009 -0.856 -9.761 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.025 -0.242 -8.428 1.00 0.00 H new ATOM 539 N VAL A 44 -10.773 -7.341 -13.548 1.00 0.00 N ATOM 540 CA VAL A 44 -10.104 -8.634 -13.557 1.00 0.00 C ATOM 541 C VAL A 44 -9.832 -9.076 -14.994 1.00 0.00 C ATOM 542 O VAL A 44 -8.712 -9.457 -15.333 1.00 0.00 O ATOM 543 CB VAL A 44 -10.979 -9.671 -12.837 1.00 0.00 C ATOM 544 CG1 VAL A 44 -10.443 -11.085 -13.086 1.00 0.00 C ATOM 545 CG2 VAL A 44 -10.967 -9.385 -11.332 1.00 0.00 C ATOM 0 H VAL A 44 -11.680 -7.335 -13.080 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.151 -8.549 -13.035 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.996 -9.604 -13.222 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.073 -11.809 -12.570 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.452 -11.294 -14.156 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.423 -11.159 -12.710 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.587 -10.119 -10.817 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.945 -9.447 -10.958 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.360 -8.385 -11.148 1.00 0.00 H new ATOM 555 N GLU A 45 -10.865 -9.033 -15.829 1.00 0.00 N ATOM 556 CA GLU A 45 -10.721 -9.443 -17.224 1.00 0.00 C ATOM 557 C GLU A 45 -9.527 -8.746 -17.868 1.00 0.00 C ATOM 558 O GLU A 45 -8.681 -9.393 -18.484 1.00 0.00 O ATOM 559 CB GLU A 45 -11.999 -9.111 -18.011 1.00 0.00 C ATOM 560 CG GLU A 45 -11.843 -9.541 -19.479 1.00 0.00 C ATOM 561 CD GLU A 45 -11.070 -8.485 -20.265 1.00 0.00 C ATOM 562 OE1 GLU A 45 -11.630 -7.428 -20.508 1.00 0.00 O ATOM 563 OE2 GLU A 45 -9.930 -8.749 -20.611 1.00 0.00 O ATOM 0 H GLU A 45 -11.801 -8.722 -15.570 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.555 -10.520 -17.247 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.853 -9.620 -17.564 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.201 -8.041 -17.957 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.321 -10.496 -19.531 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.825 -9.690 -19.927 1.00 0.00 H new ATOM 570 N LYS A 46 -9.459 -7.427 -17.719 1.00 0.00 N ATOM 571 CA LYS A 46 -8.357 -6.660 -18.291 1.00 0.00 C ATOM 572 C LYS A 46 -7.055 -6.948 -17.545 1.00 0.00 C ATOM 573 O LYS A 46 -5.990 -7.054 -18.154 1.00 0.00 O ATOM 574 CB LYS A 46 -8.667 -5.163 -18.222 1.00 0.00 C ATOM 575 CG LYS A 46 -7.668 -4.385 -19.088 1.00 0.00 C ATOM 576 CD LYS A 46 -7.723 -2.898 -18.726 1.00 0.00 C ATOM 577 CE LYS A 46 -9.129 -2.355 -18.993 1.00 0.00 C ATOM 578 NZ LYS A 46 -9.087 -0.865 -19.030 1.00 0.00 N ATOM 0 H LYS A 46 -10.147 -6.871 -17.212 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.238 -6.957 -19.333 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.684 -4.977 -18.567 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.613 -4.818 -17.189 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.660 -4.770 -18.933 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.903 -4.522 -20.144 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.462 -2.759 -17.677 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.991 -2.343 -19.313 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.507 -2.743 -19.939 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.814 -2.691 -18.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.042 -0.495 -19.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.744 -0.505 -18.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.446 -0.554 -19.788 1.00 0.00 H new ATOM 592 N ALA A 47 -7.150 -7.070 -16.225 1.00 0.00 N ATOM 593 CA ALA A 47 -5.975 -7.340 -15.402 1.00 0.00 C ATOM 594 C ALA A 47 -5.405 -8.720 -15.711 1.00 0.00 C ATOM 595 O ALA A 47 -4.223 -8.979 -15.478 1.00 0.00 O ATOM 596 CB ALA A 47 -6.348 -7.261 -13.920 1.00 0.00 C ATOM 0 H ALA A 47 -8.023 -6.987 -15.704 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.218 -6.590 -15.629 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.467 -7.464 -13.312 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.725 -6.264 -13.692 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.119 -7.999 -13.699 1.00 0.00 H new ATOM 602 N ALA A 48 -6.247 -9.603 -16.237 1.00 0.00 N ATOM 603 CA ALA A 48 -5.807 -10.951 -16.575 1.00 0.00 C ATOM 604 C ALA A 48 -4.922 -10.936 -17.819 1.00 0.00 C ATOM 605 O ALA A 48 -3.941 -11.675 -17.901 1.00 0.00 O ATOM 606 CB ALA A 48 -7.017 -11.854 -16.819 1.00 0.00 C ATOM 0 H ALA A 48 -7.229 -9.412 -16.437 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.228 -11.339 -15.737 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.677 -12.858 -17.071 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.629 -11.893 -15.918 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.609 -11.455 -17.642 1.00 0.00 H new ATOM 612 N ARG A 49 -5.272 -10.091 -18.785 1.00 0.00 N ATOM 613 CA ARG A 49 -4.496 -9.992 -20.014 1.00 0.00 C ATOM 614 C ARG A 49 -3.129 -9.384 -19.730 1.00 0.00 C ATOM 615 O ARG A 49 -2.123 -9.791 -20.310 1.00 0.00 O ATOM 616 CB ARG A 49 -5.241 -9.127 -21.036 1.00 0.00 C ATOM 617 CG ARG A 49 -4.376 -8.951 -22.288 1.00 0.00 C ATOM 618 CD ARG A 49 -5.218 -8.339 -23.410 1.00 0.00 C ATOM 619 NE ARG A 49 -5.950 -7.180 -22.916 1.00 0.00 N ATOM 620 CZ ARG A 49 -6.648 -6.407 -23.741 1.00 0.00 C ATOM 621 NH1 ARG A 49 -6.689 -6.681 -25.016 1.00 0.00 N ATOM 622 NH2 ARG A 49 -7.297 -5.374 -23.275 1.00 0.00 N ATOM 0 H ARG A 49 -6.081 -9.471 -18.740 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.360 -10.994 -20.420 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.190 -9.594 -21.300 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.474 -8.154 -20.603 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.524 -8.308 -22.067 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.975 -9.914 -22.604 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.574 -8.045 -24.239 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.916 -9.081 -23.797 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.926 -6.958 -21.921 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.185 -7.489 -25.380 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.225 -6.087 -25.648 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.268 -5.161 -22.278 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.833 -4.780 -23.908 1.00 0.00 H new ATOM 636 N GLU A 50 -3.101 -8.408 -18.828 1.00 0.00 N ATOM 637 CA GLU A 50 -1.851 -7.753 -18.470 1.00 0.00 C ATOM 638 C GLU A 50 -0.861 -8.773 -17.917 1.00 0.00 C ATOM 639 O GLU A 50 0.283 -8.850 -18.365 1.00 0.00 O ATOM 640 CB GLU A 50 -2.113 -6.667 -17.421 1.00 0.00 C ATOM 641 CG GLU A 50 -0.923 -5.710 -17.368 1.00 0.00 C ATOM 642 CD GLU A 50 -1.069 -4.758 -16.185 1.00 0.00 C ATOM 643 OE1 GLU A 50 -1.980 -3.946 -16.212 1.00 0.00 O ATOM 644 OE2 GLU A 50 -0.268 -4.855 -15.270 1.00 0.00 O ATOM 0 H GLU A 50 -3.923 -8.057 -18.336 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.427 -7.296 -19.364 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.022 -6.120 -17.669 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.271 -7.122 -16.443 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.005 -6.275 -17.278 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.861 -5.142 -18.296 1.00 0.00 H new ATOM 651 N VAL A 51 -1.315 -9.559 -16.944 1.00 0.00 N ATOM 652 CA VAL A 51 -0.464 -10.582 -16.335 1.00 0.00 C ATOM 653 C VAL A 51 -0.450 -11.853 -17.189 1.00 0.00 C ATOM 654 O VAL A 51 0.502 -12.631 -17.140 1.00 0.00 O ATOM 655 CB VAL A 51 -0.966 -10.908 -14.921 1.00 0.00 C ATOM 656 CG1 VAL A 51 -0.181 -12.093 -14.354 1.00 0.00 C ATOM 657 CG2 VAL A 51 -0.778 -9.683 -14.018 1.00 0.00 C ATOM 0 H VAL A 51 -2.259 -9.510 -16.562 1.00 0.00 H new ATOM 0 HA VAL A 51 0.553 -10.194 -16.275 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.024 -11.168 -14.963 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.540 -12.321 -13.351 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.321 -12.963 -14.996 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.878 -11.841 -14.311 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.134 -9.913 -13.014 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.279 -9.420 -13.977 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.345 -8.844 -14.421 1.00 0.00 H new ATOM 667 N GLY A 52 -1.501 -12.047 -17.978 1.00 0.00 N ATOM 668 CA GLY A 52 -1.596 -13.211 -18.848 1.00 0.00 C ATOM 669 C GLY A 52 -1.138 -14.490 -18.150 1.00 0.00 C ATOM 670 O GLY A 52 -0.506 -15.347 -18.769 1.00 0.00 O ATOM 0 H GLY A 52 -2.298 -11.413 -18.032 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.627 -13.330 -19.182 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.989 -13.048 -19.739 1.00 0.00 H new