USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 457 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 1 MET CE :methyl -177:sc= 0 (180deg=-0.0167) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0773 (180deg=-0.273) USER MOD Single : A 3 CYS SG : rot 70:sc= 0.294 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -169:sc= 2.22 (180deg=2.03) USER MOD Single : A 16 SER OG : rot -174:sc= 1.28 USER MOD Single : A 18 LYS NZ :NH3+ 139:sc= 2.22 (180deg=0.52) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 91:sc= 0.38 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.16) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.684 K(o=0.68,f=-0.17) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.14) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00248 USER MOD Single : A 37 ASN : amide:sc= -0.603 X(o=-0.6,f=-1.1) USER MOD Single : A 41 THR OG1 : rot -80:sc=-0.00996 USER MOD Single : A 42 ASN : amide:sc= 0.457 X(o=0.46,f=0) USER MOD Single : A 46 SER OG : rot 84:sc= 1.2 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.007 1.300 -8.504 1.00 0.00 N ATOM 2 CA MET A 1 -7.442 1.120 -7.110 1.00 0.00 C ATOM 3 C MET A 1 -7.217 -0.311 -6.575 1.00 0.00 C ATOM 4 O MET A 1 -7.492 -0.579 -5.403 1.00 0.00 O ATOM 5 CB MET A 1 -8.921 1.524 -6.964 1.00 0.00 C ATOM 6 CG MET A 1 -9.160 3.007 -7.274 1.00 0.00 C ATOM 7 SD MET A 1 -10.840 3.603 -6.918 1.00 0.00 S ATOM 8 CE MET A 1 -11.789 2.717 -8.187 1.00 0.00 C ATOM 0 H1 MET A 1 -7.010 2.313 -8.741 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.046 0.921 -8.619 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.657 0.794 -9.139 1.00 0.00 H new ATOM 0 HA MET A 1 -6.817 1.773 -6.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.528 0.914 -7.633 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.254 1.311 -5.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.450 3.602 -6.700 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.944 3.182 -8.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.835 3.018 -8.135 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.391 2.957 -9.173 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.711 1.643 -8.016 1.00 0.00 H new ATOM 18 N LEU A 2 -6.698 -1.221 -7.412 1.00 0.00 N ATOM 19 CA LEU A 2 -6.344 -2.602 -7.054 1.00 0.00 C ATOM 20 C LEU A 2 -4.844 -2.759 -6.790 1.00 0.00 C ATOM 21 O LEU A 2 -4.006 -2.102 -7.416 1.00 0.00 O ATOM 22 CB LEU A 2 -6.895 -3.603 -8.094 1.00 0.00 C ATOM 23 CG LEU A 2 -6.113 -3.752 -9.417 1.00 0.00 C ATOM 24 CD1 LEU A 2 -6.763 -4.842 -10.268 1.00 0.00 C ATOM 25 CD2 LEU A 2 -6.081 -2.476 -10.262 1.00 0.00 C ATOM 0 H LEU A 2 -6.507 -1.008 -8.391 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.830 -2.842 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.949 -4.584 -7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.916 -3.309 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.089 -3.996 -9.134 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.213 -4.950 -11.203 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.744 -5.787 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.796 -4.568 -10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.514 -2.658 -11.175 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.099 -2.184 -10.519 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.607 -1.675 -9.694 1.00 0.00 H new ATOM 37 N CYS A 3 -4.518 -3.659 -5.861 1.00 0.00 N ATOM 38 CA CYS A 3 -3.198 -3.793 -5.291 1.00 0.00 C ATOM 39 C CYS A 3 -2.077 -4.132 -6.286 1.00 0.00 C ATOM 40 O CYS A 3 -2.222 -5.006 -7.138 1.00 0.00 O ATOM 41 CB CYS A 3 -3.295 -4.771 -4.100 1.00 0.00 C ATOM 42 SG CYS A 3 -4.823 -4.671 -3.131 1.00 0.00 S ATOM 0 H CYS A 3 -5.189 -4.327 -5.482 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.879 -2.811 -4.942 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.191 -5.788 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.451 -4.591 -3.434 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.815 -5.126 -3.837 1.00 0.00 H new ATOM 48 N ALA A 4 -0.916 -3.490 -6.120 1.00 0.00 N ATOM 49 CA ALA A 4 0.263 -3.808 -6.943 1.00 0.00 C ATOM 50 C ALA A 4 0.899 -5.164 -6.560 1.00 0.00 C ATOM 51 O ALA A 4 1.716 -5.701 -7.310 1.00 0.00 O ATOM 52 CB ALA A 4 1.294 -2.676 -6.873 1.00 0.00 C ATOM 0 H ALA A 4 -0.764 -2.753 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.080 -3.902 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.157 -2.931 -7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.846 -1.753 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.613 -2.538 -5.840 1.00 0.00 H new ATOM 58 N ILE A 5 0.526 -5.706 -5.390 1.00 0.00 N ATOM 59 CA ILE A 5 1.152 -6.878 -4.771 1.00 0.00 C ATOM 60 C ILE A 5 0.327 -8.156 -5.007 1.00 0.00 C ATOM 61 O ILE A 5 0.870 -9.128 -5.538 1.00 0.00 O ATOM 62 CB ILE A 5 1.451 -6.559 -3.287 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.538 -5.460 -3.209 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.960 -7.834 -2.589 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.714 -4.843 -1.822 1.00 0.00 C ATOM 0 H ILE A 5 -0.242 -5.328 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 5 2.108 -7.096 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 5 0.544 -6.209 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.490 -5.884 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.289 -4.669 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.173 -7.616 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.198 -8.611 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.870 -8.179 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.495 -4.083 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.777 -4.385 -1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.996 -5.620 -1.111 1.00 0.00 H new ATOM 77 N SER A 6 -0.976 -8.152 -4.675 1.00 0.00 N ATOM 78 CA SER A 6 -1.885 -9.305 -4.901 1.00 0.00 C ATOM 79 C SER A 6 -3.062 -9.027 -5.834 1.00 0.00 C ATOM 80 O SER A 6 -3.692 -9.966 -6.326 1.00 0.00 O ATOM 81 CB SER A 6 -2.360 -9.972 -3.605 1.00 0.00 C ATOM 82 OG SER A 6 -1.248 -10.374 -2.820 1.00 0.00 O ATOM 0 H SER A 6 -1.435 -7.351 -4.241 1.00 0.00 H new ATOM 0 HA SER A 6 -1.248 -10.016 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.982 -9.279 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.980 -10.837 -3.840 1.00 0.00 H new ATOM 0 HG SER A 6 -1.566 -10.797 -1.995 1.00 0.00 H new ATOM 88 N GLY A 7 -3.351 -7.754 -6.127 1.00 0.00 N ATOM 89 CA GLY A 7 -4.306 -7.362 -7.169 1.00 0.00 C ATOM 90 C GLY A 7 -5.766 -7.519 -6.763 1.00 0.00 C ATOM 91 O GLY A 7 -6.667 -7.553 -7.604 1.00 0.00 O ATOM 0 H GLY A 7 -2.926 -6.962 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.125 -6.322 -7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.121 -7.961 -8.061 1.00 0.00 H new ATOM 95 N LYS A 8 -5.971 -7.656 -5.454 1.00 0.00 N ATOM 96 CA LYS A 8 -7.226 -8.039 -4.807 1.00 0.00 C ATOM 97 C LYS A 8 -8.106 -6.845 -4.421 1.00 0.00 C ATOM 98 O LYS A 8 -7.693 -5.692 -4.543 1.00 0.00 O ATOM 99 CB LYS A 8 -6.820 -8.934 -3.621 1.00 0.00 C ATOM 100 CG LYS A 8 -6.326 -8.170 -2.382 1.00 0.00 C ATOM 101 CD LYS A 8 -5.976 -9.115 -1.224 1.00 0.00 C ATOM 102 CE LYS A 8 -7.189 -9.820 -0.593 1.00 0.00 C ATOM 103 NZ LYS A 8 -8.101 -8.866 0.088 1.00 0.00 N ATOM 0 H LYS A 8 -5.224 -7.494 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.874 -8.584 -5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.675 -9.547 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.034 -9.615 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.448 -7.580 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.095 -7.469 -2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.279 -9.871 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.458 -8.547 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.739 -10.356 -1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.842 -10.564 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.797 -9.394 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.549 -8.244 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.597 -8.292 -0.623 1.00 0.00 H new ATOM 117 N VAL A 9 -9.320 -7.123 -3.938 1.00 0.00 N ATOM 118 CA VAL A 9 -10.197 -6.122 -3.303 1.00 0.00 C ATOM 119 C VAL A 9 -9.596 -5.792 -1.922 1.00 0.00 C ATOM 120 O VAL A 9 -9.483 -6.701 -1.092 1.00 0.00 O ATOM 121 CB VAL A 9 -11.667 -6.591 -3.247 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.925 -7.917 -2.518 1.00 0.00 C ATOM 123 CG2 VAL A 9 -12.562 -5.509 -2.635 1.00 0.00 C ATOM 0 H VAL A 9 -9.730 -8.056 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.236 -5.210 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.916 -6.773 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.991 -8.144 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.372 -8.717 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.596 -7.833 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.593 -5.863 -2.606 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.226 -5.289 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.506 -4.605 -3.241 1.00 0.00 H new ATOM 133 N PRO A 10 -9.116 -4.561 -1.666 1.00 0.00 N ATOM 134 CA PRO A 10 -8.335 -4.264 -0.467 1.00 0.00 C ATOM 135 C PRO A 10 -9.171 -4.214 0.822 1.00 0.00 C ATOM 136 O PRO A 10 -10.129 -3.444 0.931 1.00 0.00 O ATOM 137 CB PRO A 10 -7.636 -2.929 -0.763 1.00 0.00 C ATOM 138 CG PRO A 10 -8.596 -2.226 -1.720 1.00 0.00 C ATOM 139 CD PRO A 10 -9.172 -3.386 -2.534 1.00 0.00 C ATOM 0 HA PRO A 10 -7.622 -5.064 -0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.479 -2.348 0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.657 -3.081 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.374 -1.682 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.080 -1.504 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.197 -3.176 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.595 -3.547 -3.445 1.00 0.00 H new ATOM 147 N ARG A 11 -8.770 -5.004 1.831 1.00 0.00 N ATOM 148 CA ARG A 11 -9.282 -4.972 3.217 1.00 0.00 C ATOM 149 C ARG A 11 -9.102 -3.585 3.844 1.00 0.00 C ATOM 150 O ARG A 11 -10.060 -3.012 4.364 1.00 0.00 O ATOM 151 CB ARG A 11 -8.573 -6.038 4.074 1.00 0.00 C ATOM 152 CG ARG A 11 -8.946 -7.479 3.695 1.00 0.00 C ATOM 153 CD ARG A 11 -8.064 -8.467 4.468 1.00 0.00 C ATOM 154 NE ARG A 11 -8.360 -9.868 4.110 1.00 0.00 N ATOM 155 CZ ARG A 11 -7.593 -10.729 3.459 1.00 0.00 C ATOM 156 NH1 ARG A 11 -6.457 -10.409 2.908 1.00 0.00 N ATOM 157 NH2 ARG A 11 -7.975 -11.968 3.338 1.00 0.00 N ATOM 0 H ARG A 11 -8.049 -5.714 1.701 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.349 -5.193 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.495 -5.913 3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.819 -5.872 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.997 -7.663 3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.819 -7.627 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.015 -8.254 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.214 -8.327 5.538 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.273 -10.218 4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.115 -9.450 2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.910 -11.118 2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.861 -12.271 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.389 -12.636 2.838 1.00 0.00 H new ATOM 171 N ARG A 12 -7.877 -3.047 3.759 1.00 0.00 N ATOM 172 CA ARG A 12 -7.518 -1.658 4.105 1.00 0.00 C ATOM 173 C ARG A 12 -6.664 -1.039 2.987 1.00 0.00 C ATOM 174 O ARG A 12 -5.479 -1.370 2.910 1.00 0.00 O ATOM 175 CB ARG A 12 -6.804 -1.589 5.470 1.00 0.00 C ATOM 176 CG ARG A 12 -7.728 -1.931 6.650 1.00 0.00 C ATOM 177 CD ARG A 12 -7.071 -1.639 8.009 1.00 0.00 C ATOM 178 NE ARG A 12 -6.975 -0.186 8.281 1.00 0.00 N ATOM 179 CZ ARG A 12 -5.895 0.563 8.432 1.00 0.00 C ATOM 180 NH1 ARG A 12 -4.690 0.083 8.348 1.00 0.00 N ATOM 181 NH2 ARG A 12 -6.010 1.837 8.669 1.00 0.00 N ATOM 0 H ARG A 12 -7.075 -3.587 3.435 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.434 -1.075 4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.959 -2.277 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.399 -0.587 5.612 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.651 -1.357 6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.002 -2.985 6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.648 -2.118 8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.074 -2.078 8.031 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.865 0.305 8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.548 -0.909 8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.886 0.699 8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.935 2.261 8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.175 2.412 8.785 1.00 0.00 H new ATOM 195 N PRO A 13 -7.232 -0.207 2.091 1.00 0.00 N ATOM 196 CA PRO A 13 -6.490 0.471 1.033 1.00 0.00 C ATOM 197 C PRO A 13 -5.413 1.393 1.601 1.00 0.00 C ATOM 198 O PRO A 13 -5.625 2.186 2.519 1.00 0.00 O ATOM 199 CB PRO A 13 -7.517 1.212 0.169 1.00 0.00 C ATOM 200 CG PRO A 13 -8.740 1.312 1.071 1.00 0.00 C ATOM 201 CD PRO A 13 -8.644 0.007 1.849 1.00 0.00 C ATOM 0 HA PRO A 13 -5.945 -0.246 0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.156 2.197 -0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.739 0.665 -0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.699 2.184 1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.666 1.384 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.196 0.070 2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.073 -0.819 1.281 1.00 0.00 H new ATOM 209 N VAL A 14 -4.233 1.241 1.029 1.00 0.00 N ATOM 210 CA VAL A 14 -2.945 1.805 1.454 1.00 0.00 C ATOM 211 C VAL A 14 -2.116 2.218 0.233 1.00 0.00 C ATOM 212 O VAL A 14 -2.172 1.569 -0.805 1.00 0.00 O ATOM 213 CB VAL A 14 -2.236 0.742 2.325 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.713 0.805 2.344 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.711 0.876 3.775 1.00 0.00 C ATOM 0 H VAL A 14 -4.132 0.676 0.186 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.083 2.711 2.044 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.504 -0.209 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.324 0.014 2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.331 0.672 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.394 1.774 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.213 0.128 4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.469 1.872 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.789 0.724 3.820 1.00 0.00 H new ATOM 225 N LEU A 15 -1.336 3.291 0.355 1.00 0.00 N ATOM 226 CA LEU A 15 -0.531 3.904 -0.708 1.00 0.00 C ATOM 227 C LEU A 15 0.886 4.213 -0.186 1.00 0.00 C ATOM 228 O LEU A 15 1.103 4.342 1.024 1.00 0.00 O ATOM 229 CB LEU A 15 -1.314 5.148 -1.189 1.00 0.00 C ATOM 230 CG LEU A 15 -0.649 6.042 -2.257 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.713 6.661 -3.169 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.118 7.218 -1.639 1.00 0.00 C ATOM 0 H LEU A 15 -1.242 3.784 1.243 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.378 3.240 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.272 4.810 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.528 5.768 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 15 0.036 5.394 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.230 7.289 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.272 5.868 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.395 7.267 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.567 7.816 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.569 7.837 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.901 6.837 -0.984 1.00 0.00 H new ATOM 244 N SER A 16 1.849 4.369 -1.098 1.00 0.00 N ATOM 245 CA SER A 16 3.196 4.872 -0.796 1.00 0.00 C ATOM 246 C SER A 16 3.577 6.024 -1.741 1.00 0.00 C ATOM 247 O SER A 16 3.087 6.081 -2.877 1.00 0.00 O ATOM 248 CB SER A 16 4.218 3.725 -0.811 1.00 0.00 C ATOM 249 OG SER A 16 4.765 3.508 -2.099 1.00 0.00 O ATOM 0 H SER A 16 1.715 4.146 -2.084 1.00 0.00 H new ATOM 0 HA SER A 16 3.201 5.285 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.022 3.949 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.739 2.810 -0.464 1.00 0.00 H new ATOM 0 HG SER A 16 5.340 2.715 -2.081 1.00 0.00 H new ATOM 255 N PRO A 17 4.453 6.958 -1.317 1.00 0.00 N ATOM 256 CA PRO A 17 4.840 8.122 -2.122 1.00 0.00 C ATOM 257 C PRO A 17 5.747 7.771 -3.315 1.00 0.00 C ATOM 258 O PRO A 17 6.043 8.647 -4.132 1.00 0.00 O ATOM 259 CB PRO A 17 5.526 9.078 -1.141 1.00 0.00 C ATOM 260 CG PRO A 17 6.128 8.140 -0.101 1.00 0.00 C ATOM 261 CD PRO A 17 5.084 7.029 -0.005 1.00 0.00 C ATOM 0 HA PRO A 17 3.965 8.572 -2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.292 9.678 -1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.816 9.773 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.099 7.757 -0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.277 8.639 0.856 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.549 6.078 0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.350 7.249 0.770 1.00 0.00 H new ATOM 269 N LYS A 18 6.169 6.506 -3.443 1.00 0.00 N ATOM 270 CA LYS A 18 6.935 5.979 -4.582 1.00 0.00 C ATOM 271 C LYS A 18 6.001 5.625 -5.739 1.00 0.00 C ATOM 272 O LYS A 18 5.993 6.305 -6.766 1.00 0.00 O ATOM 273 CB LYS A 18 7.745 4.745 -4.150 1.00 0.00 C ATOM 274 CG LYS A 18 9.099 5.056 -3.505 1.00 0.00 C ATOM 275 CD LYS A 18 9.030 5.758 -2.140 1.00 0.00 C ATOM 276 CE LYS A 18 10.371 5.601 -1.409 1.00 0.00 C ATOM 277 NZ LYS A 18 10.405 4.369 -0.590 1.00 0.00 N ATOM 0 H LYS A 18 5.981 5.798 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 18 7.626 6.750 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.148 4.165 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.911 4.114 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.650 4.123 -3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.673 5.682 -4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.800 6.815 -2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.226 5.331 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.182 5.577 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.541 6.468 -0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.337 3.916 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.235 4.610 0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.667 3.714 -0.918 1.00 0.00 H new ATOM 291 N SER A 19 5.218 4.559 -5.572 1.00 0.00 N ATOM 292 CA SER A 19 4.385 3.962 -6.617 1.00 0.00 C ATOM 293 C SER A 19 3.126 4.781 -6.922 1.00 0.00 C ATOM 294 O SER A 19 2.639 4.742 -8.053 1.00 0.00 O ATOM 295 CB SER A 19 3.973 2.556 -6.174 1.00 0.00 C ATOM 296 OG SER A 19 5.126 1.775 -5.898 1.00 0.00 O ATOM 0 H SER A 19 5.143 4.072 -4.679 1.00 0.00 H new ATOM 0 HA SER A 19 4.978 3.935 -7.531 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.343 2.616 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.379 2.080 -6.954 1.00 0.00 H new ATOM 0 HG SER A 19 4.853 0.878 -5.614 1.00 0.00 H new ATOM 302 N ARG A 20 2.586 5.510 -5.928 1.00 0.00 N ATOM 303 CA ARG A 20 1.288 6.227 -5.952 1.00 0.00 C ATOM 304 C ARG A 20 0.057 5.353 -6.286 1.00 0.00 C ATOM 305 O ARG A 20 -1.054 5.867 -6.413 1.00 0.00 O ATOM 306 CB ARG A 20 1.367 7.477 -6.858 1.00 0.00 C ATOM 307 CG ARG A 20 2.537 8.433 -6.563 1.00 0.00 C ATOM 308 CD ARG A 20 2.449 9.069 -5.172 1.00 0.00 C ATOM 309 NE ARG A 20 3.614 9.937 -4.919 1.00 0.00 N ATOM 310 CZ ARG A 20 3.662 11.239 -4.706 1.00 0.00 C ATOM 311 NH1 ARG A 20 2.604 11.997 -4.729 1.00 0.00 N ATOM 312 NH2 ARG A 20 4.805 11.806 -4.461 1.00 0.00 N ATOM 0 H ARG A 20 3.066 5.624 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 20 1.117 6.542 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.440 7.149 -7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.434 8.032 -6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.477 7.887 -6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.556 9.220 -7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.531 9.651 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.399 8.289 -4.413 1.00 0.00 H new ATOM 0 HE ARG A 20 4.516 9.461 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.688 11.589 -4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.691 12.999 -4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.657 11.246 -4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.850 12.811 -4.295 1.00 0.00 H new ATOM 326 N THR A 21 0.238 4.039 -6.409 1.00 0.00 N ATOM 327 CA THR A 21 -0.793 2.999 -6.514 1.00 0.00 C ATOM 328 C THR A 21 -1.529 2.812 -5.182 1.00 0.00 C ATOM 329 O THR A 21 -1.099 3.343 -4.155 1.00 0.00 O ATOM 330 CB THR A 21 -0.113 1.677 -6.919 1.00 0.00 C ATOM 331 OG1 THR A 21 0.951 1.362 -6.046 1.00 0.00 O ATOM 332 CG2 THR A 21 0.512 1.752 -8.310 1.00 0.00 C ATOM 0 H THR A 21 1.177 3.641 -6.441 1.00 0.00 H new ATOM 0 HA THR A 21 -1.526 3.299 -7.263 1.00 0.00 H new ATOM 0 HB THR A 21 -0.904 0.927 -6.886 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.617 0.809 -5.309 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.979 0.797 -8.551 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.262 1.973 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.266 2.539 -8.328 1.00 0.00 H new ATOM 340 N ILE A 22 -2.610 2.022 -5.163 1.00 0.00 N ATOM 341 CA ILE A 22 -3.296 1.636 -3.923 1.00 0.00 C ATOM 342 C ILE A 22 -3.268 0.111 -3.819 1.00 0.00 C ATOM 343 O ILE A 22 -3.849 -0.584 -4.651 1.00 0.00 O ATOM 344 CB ILE A 22 -4.724 2.210 -3.844 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.722 3.756 -3.967 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.393 1.785 -2.525 1.00 0.00 C ATOM 347 CD1 ILE A 22 -6.118 4.385 -4.044 1.00 0.00 C ATOM 0 H ILE A 22 -3.033 1.633 -6.005 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.775 2.064 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.293 1.808 -4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.194 4.176 -3.111 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.160 4.037 -4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.402 2.196 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.442 0.697 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.810 2.160 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.025 5.468 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.644 3.997 -4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.679 4.138 -3.142 1.00 0.00 H new ATOM 359 N PHE A 23 -2.587 -0.390 -2.796 1.00 0.00 N ATOM 360 CA PHE A 23 -2.503 -1.795 -2.395 1.00 0.00 C ATOM 361 C PHE A 23 -3.163 -2.029 -1.043 1.00 0.00 C ATOM 362 O PHE A 23 -3.596 -1.102 -0.365 1.00 0.00 O ATOM 363 CB PHE A 23 -1.053 -2.345 -2.450 1.00 0.00 C ATOM 364 CG PHE A 23 0.058 -1.317 -2.388 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.174 -0.485 -1.271 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.947 -1.161 -3.460 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.087 0.586 -1.280 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.893 -0.123 -3.462 1.00 0.00 C ATOM 369 CZ PHE A 23 1.949 0.770 -2.378 1.00 0.00 C ATOM 0 H PHE A 23 -2.041 0.213 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.067 -2.369 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.920 -3.042 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.939 -2.917 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.438 -0.664 -0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.904 -1.846 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.127 1.268 -0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.574 -0.011 -4.293 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.649 1.592 -2.387 1.00 0.00 H new ATOM 379 N GLU A 24 -3.287 -3.296 -0.668 1.00 0.00 N ATOM 380 CA GLU A 24 -3.814 -3.641 0.648 1.00 0.00 C ATOM 381 C GLU A 24 -2.699 -3.523 1.714 1.00 0.00 C ATOM 382 O GLU A 24 -1.574 -3.978 1.488 1.00 0.00 O ATOM 383 CB GLU A 24 -4.570 -4.976 0.611 1.00 0.00 C ATOM 384 CG GLU A 24 -4.744 -5.652 1.980 1.00 0.00 C ATOM 385 CD GLU A 24 -5.615 -6.911 1.896 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.711 -6.842 1.300 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.240 -7.968 2.449 1.00 0.00 O ATOM 0 H GLU A 24 -3.033 -4.095 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.574 -2.922 0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.555 -4.808 0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.040 -5.660 -0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.765 -5.915 2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.195 -4.946 2.678 1.00 0.00 H new ATOM 394 N LYS A 25 -3.019 -2.954 2.892 1.00 0.00 N ATOM 395 CA LYS A 25 -2.166 -2.768 4.076 1.00 0.00 C ATOM 396 C LYS A 25 -1.353 -4.019 4.342 1.00 0.00 C ATOM 397 O LYS A 25 -0.135 -3.966 4.496 1.00 0.00 O ATOM 398 CB LYS A 25 -3.091 -2.475 5.280 1.00 0.00 C ATOM 399 CG LYS A 25 -2.422 -2.481 6.666 1.00 0.00 C ATOM 400 CD LYS A 25 -1.447 -1.322 6.891 1.00 0.00 C ATOM 401 CE LYS A 25 -0.943 -1.367 8.340 1.00 0.00 C ATOM 402 NZ LYS A 25 -0.326 -0.079 8.740 1.00 0.00 N ATOM 0 H LYS A 25 -3.956 -2.584 3.050 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.472 -1.943 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.554 -1.500 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.894 -3.213 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.196 -2.445 7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.888 -3.422 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.609 -1.396 6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.941 -0.371 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.773 -1.597 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.214 -2.170 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.197 -0.062 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.598 0.023 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.946 0.706 8.455 1.00 0.00 H new ATOM 416 N SER A 26 -2.060 -5.146 4.361 1.00 0.00 N ATOM 417 CA SER A 26 -1.512 -6.426 4.763 1.00 0.00 C ATOM 418 C SER A 26 -0.473 -6.964 3.774 1.00 0.00 C ATOM 419 O SER A 26 0.487 -7.618 4.179 1.00 0.00 O ATOM 420 CB SER A 26 -2.629 -7.458 4.958 1.00 0.00 C ATOM 421 OG SER A 26 -3.618 -6.957 5.844 1.00 0.00 O ATOM 0 H SER A 26 -3.043 -5.190 4.093 1.00 0.00 H new ATOM 0 HA SER A 26 -1.001 -6.258 5.711 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.082 -7.699 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.212 -8.384 5.355 1.00 0.00 H new ATOM 0 HG SER A 26 -4.325 -7.626 5.957 1.00 0.00 H new ATOM 427 N LEU A 27 -0.635 -6.659 2.480 1.00 0.00 N ATOM 428 CA LEU A 27 0.284 -7.083 1.422 1.00 0.00 C ATOM 429 C LEU A 27 1.554 -6.233 1.449 1.00 0.00 C ATOM 430 O LEU A 27 2.659 -6.765 1.361 1.00 0.00 O ATOM 431 CB LEU A 27 -0.355 -6.964 0.023 1.00 0.00 C ATOM 432 CG LEU A 27 -1.832 -7.329 -0.140 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.238 -7.103 -1.586 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.171 -8.749 0.302 1.00 0.00 C ATOM 0 H LEU A 27 -1.419 -6.104 2.137 1.00 0.00 H new ATOM 0 HA LEU A 27 0.523 -8.129 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.229 -5.934 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.219 -7.593 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.401 -6.679 0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.290 -7.360 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.087 -6.056 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.630 -7.731 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.236 -8.931 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.596 -9.461 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.924 -8.871 1.357 1.00 0.00 H new ATOM 446 N LEU A 28 1.393 -4.911 1.585 1.00 0.00 N ATOM 447 CA LEU A 28 2.520 -3.981 1.634 1.00 0.00 C ATOM 448 C LEU A 28 3.362 -4.258 2.878 1.00 0.00 C ATOM 449 O LEU A 28 4.576 -4.401 2.769 1.00 0.00 O ATOM 450 CB LEU A 28 2.048 -2.520 1.604 1.00 0.00 C ATOM 451 CG LEU A 28 3.248 -1.548 1.493 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.841 -1.543 0.082 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.795 -0.143 1.883 1.00 0.00 C ATOM 0 H LEU A 28 0.481 -4.461 1.664 1.00 0.00 H new ATOM 0 HA LEU A 28 3.134 -4.137 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.375 -2.369 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.480 -2.300 2.508 1.00 0.00 H new ATOM 0 HG LEU A 28 4.030 -1.886 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.681 -0.849 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.186 -2.545 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.079 -1.231 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.637 0.545 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.999 0.182 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.425 -0.151 2.908 1.00 0.00 H new ATOM 465 N GLU A 29 2.726 -4.374 4.051 1.00 0.00 N ATOM 466 CA GLU A 29 3.423 -4.682 5.303 1.00 0.00 C ATOM 467 C GLU A 29 4.225 -5.982 5.175 1.00 0.00 C ATOM 468 O GLU A 29 5.397 -6.007 5.539 1.00 0.00 O ATOM 469 CB GLU A 29 2.438 -4.755 6.482 1.00 0.00 C ATOM 470 CG GLU A 29 3.177 -4.704 7.829 1.00 0.00 C ATOM 471 CD GLU A 29 2.322 -5.260 8.980 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.294 -4.639 9.344 1.00 0.00 O ATOM 473 OE2 GLU A 29 2.693 -6.324 9.535 1.00 0.00 O ATOM 0 H GLU A 29 1.718 -4.257 4.157 1.00 0.00 H new ATOM 0 HA GLU A 29 4.124 -3.872 5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.731 -3.927 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.857 -5.675 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.102 -5.276 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.456 -3.674 8.050 1.00 0.00 H new ATOM 480 N GLN A 30 3.637 -7.035 4.597 1.00 0.00 N ATOM 481 CA GLN A 30 4.348 -8.294 4.343 1.00 0.00 C ATOM 482 C GLN A 30 5.567 -8.087 3.442 1.00 0.00 C ATOM 483 O GLN A 30 6.670 -8.510 3.770 1.00 0.00 O ATOM 484 CB GLN A 30 3.401 -9.323 3.709 1.00 0.00 C ATOM 485 CG GLN A 30 4.026 -10.723 3.570 1.00 0.00 C ATOM 486 CD GLN A 30 4.518 -11.297 4.900 1.00 0.00 C ATOM 487 OE1 GLN A 30 3.757 -11.520 5.833 1.00 0.00 O ATOM 488 NE2 GLN A 30 5.799 -11.561 5.050 1.00 0.00 N ATOM 0 H GLN A 30 2.663 -7.040 4.294 1.00 0.00 H new ATOM 0 HA GLN A 30 4.701 -8.668 5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.497 -9.395 4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.098 -8.969 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.290 -11.401 3.139 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.861 -10.673 2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.450 -11.382 4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.141 -11.944 5.931 1.00 0.00 H new ATOM 497 N TYR A 31 5.373 -7.416 2.309 1.00 0.00 N ATOM 498 CA TYR A 31 6.402 -7.236 1.281 1.00 0.00 C ATOM 499 C TYR A 31 7.582 -6.406 1.805 1.00 0.00 C ATOM 500 O TYR A 31 8.751 -6.659 1.498 1.00 0.00 O ATOM 501 CB TYR A 31 5.738 -6.583 0.063 1.00 0.00 C ATOM 502 CG TYR A 31 6.628 -6.451 -1.157 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.136 -7.602 -1.788 1.00 0.00 C ATOM 504 CD2 TYR A 31 6.931 -5.182 -1.678 1.00 0.00 C ATOM 505 CE1 TYR A 31 7.897 -7.488 -2.967 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.750 -5.075 -2.816 1.00 0.00 C ATOM 507 CZ TYR A 31 8.221 -6.217 -3.479 1.00 0.00 C ATOM 508 OH TYR A 31 8.987 -6.088 -4.598 1.00 0.00 O ATOM 0 H TYR A 31 4.484 -6.975 2.073 1.00 0.00 H new ATOM 0 HA TYR A 31 6.821 -8.201 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.858 -7.166 -0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.387 -5.591 0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.941 -8.577 -1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.537 -4.293 -1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.233 -8.377 -3.480 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.021 -4.097 -3.185 1.00 0.00 H new ATOM 0 HH TYR A 31 9.107 -5.138 -4.805 1.00 0.00 H new ATOM 518 N VAL A 32 7.271 -5.444 2.677 1.00 0.00 N ATOM 519 CA VAL A 32 8.212 -4.451 3.199 1.00 0.00 C ATOM 520 C VAL A 32 8.812 -4.870 4.564 1.00 0.00 C ATOM 521 O VAL A 32 9.794 -4.298 5.038 1.00 0.00 O ATOM 522 CB VAL A 32 7.537 -3.068 3.145 1.00 0.00 C ATOM 523 CG1 VAL A 32 8.226 -1.925 3.890 1.00 0.00 C ATOM 524 CG2 VAL A 32 7.263 -2.654 1.692 1.00 0.00 C ATOM 0 H VAL A 32 6.329 -5.331 3.050 1.00 0.00 H new ATOM 0 HA VAL A 32 9.101 -4.386 2.571 1.00 0.00 H new ATOM 0 HB VAL A 32 6.610 -3.224 3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.646 -1.010 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.298 -2.172 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.226 -1.776 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.786 -1.674 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.204 -2.608 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.605 -3.385 1.223 1.00 0.00 H new ATOM 534 N LYS A 33 8.288 -5.925 5.193 1.00 0.00 N ATOM 535 CA LYS A 33 8.907 -6.599 6.359 1.00 0.00 C ATOM 536 C LYS A 33 9.758 -7.799 5.898 1.00 0.00 C ATOM 537 O LYS A 33 10.590 -8.303 6.652 1.00 0.00 O ATOM 538 CB LYS A 33 7.868 -6.923 7.457 1.00 0.00 C ATOM 539 CG LYS A 33 7.086 -8.235 7.266 1.00 0.00 C ATOM 540 CD LYS A 33 5.768 -8.298 8.055 1.00 0.00 C ATOM 541 CE LYS A 33 5.957 -8.125 9.567 1.00 0.00 C ATOM 542 NZ LYS A 33 4.658 -8.196 10.285 1.00 0.00 N ATOM 0 H LYS A 33 7.405 -6.350 4.908 1.00 0.00 H new ATOM 0 HA LYS A 33 9.600 -5.911 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.382 -6.964 8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.155 -6.100 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.869 -8.366 6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.718 -9.070 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.096 -7.522 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.284 -9.255 7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.626 -8.899 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.435 -7.166 9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.820 -8.093 11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.036 -7.431 9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.207 -9.114 10.097 1.00 0.00 H new ATOM 556 N ASP A 34 9.592 -8.204 4.634 1.00 0.00 N ATOM 557 CA ASP A 34 10.401 -9.167 3.877 1.00 0.00 C ATOM 558 C ASP A 34 11.705 -8.528 3.365 1.00 0.00 C ATOM 559 O ASP A 34 12.799 -8.902 3.794 1.00 0.00 O ATOM 560 CB ASP A 34 9.580 -9.694 2.684 1.00 0.00 C ATOM 561 CG ASP A 34 9.154 -11.159 2.868 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.020 -12.053 2.715 1.00 0.00 O ATOM 563 OD2 ASP A 34 7.965 -11.428 3.164 1.00 0.00 O ATOM 0 H ASP A 34 8.827 -7.837 4.068 1.00 0.00 H new ATOM 0 HA ASP A 34 10.668 -9.988 4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.693 -9.074 2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.169 -9.602 1.772 1.00 0.00 H new ATOM 568 N THR A 35 11.584 -7.566 2.439 1.00 0.00 N ATOM 569 CA THR A 35 12.708 -6.883 1.761 1.00 0.00 C ATOM 570 C THR A 35 12.723 -5.378 2.001 1.00 0.00 C ATOM 571 O THR A 35 13.751 -4.726 1.814 1.00 0.00 O ATOM 572 CB THR A 35 12.691 -7.108 0.239 1.00 0.00 C ATOM 573 OG1 THR A 35 11.555 -6.499 -0.341 1.00 0.00 O ATOM 574 CG2 THR A 35 12.712 -8.581 -0.171 1.00 0.00 C ATOM 0 H THR A 35 10.674 -7.227 2.127 1.00 0.00 H new ATOM 0 HA THR A 35 13.601 -7.329 2.199 1.00 0.00 H new ATOM 0 HB THR A 35 13.611 -6.652 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.561 -6.651 -1.309 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.698 -8.656 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.616 -9.053 0.214 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.837 -9.085 0.239 1.00 0.00 H new ATOM 582 N GLY A 36 11.582 -4.802 2.393 1.00 0.00 N ATOM 583 CA GLY A 36 11.411 -3.366 2.570 1.00 0.00 C ATOM 584 C GLY A 36 11.068 -2.621 1.283 1.00 0.00 C ATOM 585 O GLY A 36 10.530 -1.526 1.340 1.00 0.00 O ATOM 0 H GLY A 36 10.738 -5.336 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.621 -3.191 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.328 -2.949 2.986 1.00 0.00 H new ATOM 589 N ASN A 37 11.351 -3.185 0.118 1.00 0.00 N ATOM 590 CA ASN A 37 11.249 -2.472 -1.150 1.00 0.00 C ATOM 591 C ASN A 37 9.788 -2.134 -1.520 1.00 0.00 C ATOM 592 O ASN A 37 8.871 -2.878 -1.190 1.00 0.00 O ATOM 593 CB ASN A 37 11.882 -3.376 -2.229 1.00 0.00 C ATOM 594 CG ASN A 37 13.403 -3.520 -2.219 1.00 0.00 C ATOM 595 OD1 ASN A 37 14.006 -3.868 -3.226 1.00 0.00 O ATOM 596 ND2 ASN A 37 14.092 -3.318 -1.116 1.00 0.00 N ATOM 0 H ASN A 37 11.659 -4.153 0.024 1.00 0.00 H new ATOM 0 HA ASN A 37 11.769 -1.517 -1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.448 -4.371 -2.132 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.586 -2.993 -3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.103 -3.452 -1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.615 -3.028 -0.263 1.00 0.00 H new ATOM 603 N ASP A 38 9.555 -1.022 -2.221 1.00 0.00 N ATOM 604 CA ASP A 38 8.256 -0.717 -2.844 1.00 0.00 C ATOM 605 C ASP A 38 8.031 -1.647 -4.060 1.00 0.00 C ATOM 606 O ASP A 38 8.987 -1.957 -4.777 1.00 0.00 O ATOM 607 CB ASP A 38 8.218 0.752 -3.280 1.00 0.00 C ATOM 608 CG ASP A 38 7.880 1.672 -2.103 1.00 0.00 C ATOM 609 OD1 ASP A 38 6.693 1.714 -1.704 1.00 0.00 O ATOM 610 OD2 ASP A 38 8.788 2.358 -1.584 1.00 0.00 O ATOM 0 H ASP A 38 10.261 -0.303 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 38 7.459 -0.885 -2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.184 1.034 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.477 0.880 -4.069 1.00 0.00 H new ATOM 615 N PRO A 39 6.795 -2.096 -4.357 1.00 0.00 N ATOM 616 CA PRO A 39 6.525 -3.153 -5.352 1.00 0.00 C ATOM 617 C PRO A 39 6.807 -2.789 -6.823 1.00 0.00 C ATOM 618 O PRO A 39 6.716 -3.671 -7.682 1.00 0.00 O ATOM 619 CB PRO A 39 5.057 -3.533 -5.127 1.00 0.00 C ATOM 620 CG PRO A 39 4.438 -2.273 -4.534 1.00 0.00 C ATOM 621 CD PRO A 39 5.567 -1.715 -3.674 1.00 0.00 C ATOM 0 HA PRO A 39 7.219 -3.979 -5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.570 -3.816 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.963 -4.381 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.133 -1.569 -5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.551 -2.498 -3.941 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.490 -0.632 -3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.534 -2.127 -2.666 1.00 0.00 H new ATOM 629 N ILE A 40 7.138 -1.527 -7.141 1.00 0.00 N ATOM 630 CA ILE A 40 7.307 -1.026 -8.521 1.00 0.00 C ATOM 631 C ILE A 40 8.663 -0.328 -8.704 1.00 0.00 C ATOM 632 O ILE A 40 9.395 -0.652 -9.640 1.00 0.00 O ATOM 633 CB ILE A 40 6.105 -0.131 -8.903 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.835 -0.994 -9.107 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.359 0.697 -10.180 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.541 -0.229 -8.824 1.00 0.00 C ATOM 0 H ILE A 40 7.300 -0.810 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 40 7.318 -1.870 -9.211 1.00 0.00 H new ATOM 0 HB ILE A 40 5.963 0.565 -8.076 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.815 -1.364 -10.132 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.886 -1.865 -8.454 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.482 1.306 -10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.222 1.345 -10.028 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.553 0.026 -11.016 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.687 -0.887 -8.984 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.542 0.119 -7.791 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.470 0.627 -9.495 1.00 0.00 H new ATOM 648 N THR A 41 9.022 0.604 -7.811 1.00 0.00 N ATOM 649 CA THR A 41 10.318 1.315 -7.860 1.00 0.00 C ATOM 650 C THR A 41 11.464 0.536 -7.206 1.00 0.00 C ATOM 651 O THR A 41 12.632 0.879 -7.401 1.00 0.00 O ATOM 652 CB THR A 41 10.254 2.694 -7.197 1.00 0.00 C ATOM 653 OG1 THR A 41 9.861 2.508 -5.867 1.00 0.00 O ATOM 654 CG2 THR A 41 9.246 3.634 -7.859 1.00 0.00 C ATOM 0 H THR A 41 8.427 0.890 -7.033 1.00 0.00 H new ATOM 0 HA THR A 41 10.521 1.421 -8.926 1.00 0.00 H new ATOM 0 HB THR A 41 11.238 3.153 -7.290 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.889 2.386 -5.827 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.250 4.594 -7.342 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.519 3.783 -8.904 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.249 3.196 -7.804 1.00 0.00 H new ATOM 662 N ASN A 42 11.140 -0.504 -6.425 1.00 0.00 N ATOM 663 CA ASN A 42 12.018 -1.254 -5.536 1.00 0.00 C ATOM 664 C ASN A 42 12.874 -0.392 -4.587 1.00 0.00 C ATOM 665 O ASN A 42 13.911 -0.836 -4.091 1.00 0.00 O ATOM 666 CB ASN A 42 12.710 -2.390 -6.304 1.00 0.00 C ATOM 667 CG ASN A 42 13.887 -1.985 -7.183 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.840 -2.072 -8.404 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.998 -1.589 -6.603 1.00 0.00 N ATOM 0 H ASN A 42 10.186 -0.864 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 42 11.408 -1.760 -4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.059 -3.129 -5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.967 -2.883 -6.931 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.814 -1.356 -7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.044 -1.514 -5.587 1.00 0.00 H new ATOM 676 N GLU A 43 12.430 0.834 -4.299 1.00 0.00 N ATOM 677 CA GLU A 43 13.116 1.706 -3.332 1.00 0.00 C ATOM 678 C GLU A 43 12.978 1.137 -1.908 1.00 0.00 C ATOM 679 O GLU A 43 11.869 0.746 -1.532 1.00 0.00 O ATOM 680 CB GLU A 43 12.514 3.111 -3.389 1.00 0.00 C ATOM 681 CG GLU A 43 12.769 3.808 -4.732 1.00 0.00 C ATOM 682 CD GLU A 43 13.820 4.925 -4.599 1.00 0.00 C ATOM 683 OE1 GLU A 43 15.037 4.620 -4.617 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.440 6.115 -4.475 1.00 0.00 O ATOM 0 H GLU A 43 11.599 1.249 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 43 14.174 1.754 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.440 3.049 -3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.934 3.715 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.107 3.075 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.836 4.228 -5.108 1.00 0.00 H new ATOM 691 N PRO A 44 14.055 1.065 -1.103 1.00 0.00 N ATOM 692 CA PRO A 44 14.026 0.412 0.205 1.00 0.00 C ATOM 693 C PRO A 44 13.161 1.169 1.228 1.00 0.00 C ATOM 694 O PRO A 44 13.276 2.391 1.372 1.00 0.00 O ATOM 695 CB PRO A 44 15.491 0.313 0.645 1.00 0.00 C ATOM 696 CG PRO A 44 16.171 1.466 -0.091 1.00 0.00 C ATOM 697 CD PRO A 44 15.398 1.537 -1.407 1.00 0.00 C ATOM 0 HA PRO A 44 13.561 -0.572 0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.592 0.413 1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.927 -0.648 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.102 2.399 0.469 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.231 1.271 -0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.376 2.556 -1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.867 0.916 -2.170 1.00 0.00 H new ATOM 705 N LEU A 45 12.343 0.406 1.963 1.00 0.00 N ATOM 706 CA LEU A 45 11.317 0.810 2.949 1.00 0.00 C ATOM 707 C LEU A 45 10.101 1.540 2.329 1.00 0.00 C ATOM 708 O LEU A 45 10.223 2.307 1.377 1.00 0.00 O ATOM 709 CB LEU A 45 11.940 1.537 4.159 1.00 0.00 C ATOM 710 CG LEU A 45 12.861 0.622 4.992 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.779 1.464 5.879 1.00 0.00 C ATOM 712 CD2 LEU A 45 12.058 -0.317 5.897 1.00 0.00 C ATOM 0 H LEU A 45 12.382 -0.610 1.879 1.00 0.00 H new ATOM 0 HA LEU A 45 10.887 -0.113 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.510 2.397 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.144 1.922 4.796 1.00 0.00 H new ATOM 0 HG LEU A 45 13.443 0.029 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.424 0.807 6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.392 2.114 5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.176 2.072 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.742 -0.945 6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.448 0.272 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.411 -0.947 5.286 1.00 0.00 H new ATOM 724 N SER A 46 8.915 1.286 2.898 1.00 0.00 N ATOM 725 CA SER A 46 7.594 1.757 2.442 1.00 0.00 C ATOM 726 C SER A 46 6.685 2.144 3.601 1.00 0.00 C ATOM 727 O SER A 46 6.126 3.234 3.645 1.00 0.00 O ATOM 728 CB SER A 46 6.879 0.721 1.587 1.00 0.00 C ATOM 729 OG SER A 46 5.904 1.352 0.787 1.00 0.00 O ATOM 0 H SER A 46 8.844 0.713 3.739 1.00 0.00 H new ATOM 0 HA SER A 46 7.797 2.642 1.839 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.598 0.198 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.410 -0.029 2.224 1.00 0.00 H new ATOM 0 HG SER A 46 6.325 1.705 -0.024 1.00 0.00 H new ATOM 735 N ILE A 47 6.579 1.253 4.589 1.00 0.00 N ATOM 736 CA ILE A 47 5.841 1.418 5.848 1.00 0.00 C ATOM 737 C ILE A 47 6.309 2.613 6.688 1.00 0.00 C ATOM 738 O ILE A 47 5.493 3.313 7.284 1.00 0.00 O ATOM 739 CB ILE A 47 5.870 0.087 6.643 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.169 -1.083 5.908 1.00 0.00 C ATOM 741 CG2 ILE A 47 5.294 0.229 8.058 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.691 -0.854 5.568 1.00 0.00 C ATOM 0 H ILE A 47 7.033 0.341 4.530 1.00 0.00 H new ATOM 0 HA ILE A 47 4.808 1.657 5.594 1.00 0.00 H new ATOM 0 HB ILE A 47 6.929 -0.158 6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.710 -1.285 4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.248 -1.977 6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.340 -0.733 8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.876 0.963 8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.257 0.558 7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.295 -1.731 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.128 -0.685 6.486 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.598 0.017 4.920 1.00 0.00 H new ATOM 754 N GLU A 48 7.598 2.936 6.639 1.00 0.00 N ATOM 755 CA GLU A 48 8.178 4.155 7.217 1.00 0.00 C ATOM 756 C GLU A 48 7.672 5.434 6.521 1.00 0.00 C ATOM 757 O GLU A 48 7.916 6.546 6.990 1.00 0.00 O ATOM 758 CB GLU A 48 9.715 4.083 7.144 1.00 0.00 C ATOM 759 CG GLU A 48 10.325 2.964 8.003 1.00 0.00 C ATOM 760 CD GLU A 48 10.082 3.188 9.509 1.00 0.00 C ATOM 761 OE1 GLU A 48 10.810 4.000 10.132 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.170 2.550 10.087 1.00 0.00 O ATOM 0 H GLU A 48 8.292 2.343 6.184 1.00 0.00 H new ATOM 0 HA GLU A 48 7.858 4.210 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.014 3.935 6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.130 5.040 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.897 2.006 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.397 2.907 7.814 1.00 0.00 H new ATOM 769 N GLU A 49 6.948 5.276 5.408 1.00 0.00 N ATOM 770 CA GLU A 49 6.430 6.346 4.545 1.00 0.00 C ATOM 771 C GLU A 49 4.944 6.165 4.180 1.00 0.00 C ATOM 772 O GLU A 49 4.413 6.888 3.333 1.00 0.00 O ATOM 773 CB GLU A 49 7.311 6.445 3.284 1.00 0.00 C ATOM 774 CG GLU A 49 8.767 6.826 3.582 1.00 0.00 C ATOM 775 CD GLU A 49 9.572 6.895 2.274 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.899 5.820 1.718 1.00 0.00 O ATOM 777 OE2 GLU A 49 9.881 8.016 1.800 1.00 0.00 O ATOM 0 H GLU A 49 6.693 4.350 5.066 1.00 0.00 H new ATOM 0 HA GLU A 49 6.478 7.281 5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.294 5.488 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.882 7.184 2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.802 7.789 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.213 6.093 4.255 1.00 0.00 H new ATOM 784 N ILE A 50 4.266 5.205 4.817 1.00 0.00 N ATOM 785 CA ILE A 50 2.900 4.784 4.487 1.00 0.00 C ATOM 786 C ILE A 50 1.863 5.917 4.538 1.00 0.00 C ATOM 787 O ILE A 50 1.833 6.752 5.446 1.00 0.00 O ATOM 788 CB ILE A 50 2.473 3.587 5.362 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.137 3.001 4.863 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.369 3.946 6.860 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.849 1.595 5.391 1.00 0.00 C ATOM 0 H ILE A 50 4.663 4.684 5.599 1.00 0.00 H new ATOM 0 HA ILE A 50 2.926 4.470 3.444 1.00 0.00 H new ATOM 0 HB ILE A 50 3.258 2.837 5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.325 3.665 5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.145 2.976 3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.065 3.065 7.425 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.338 4.291 7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.630 4.736 6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.107 1.248 4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.641 0.917 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.808 1.617 6.480 1.00 0.00 H new ATOM 803 N VAL A 51 0.969 5.881 3.552 1.00 0.00 N ATOM 804 CA VAL A 51 -0.244 6.701 3.420 1.00 0.00 C ATOM 805 C VAL A 51 -1.469 5.780 3.398 1.00 0.00 C ATOM 806 O VAL A 51 -1.851 5.259 2.352 1.00 0.00 O ATOM 807 CB VAL A 51 -0.175 7.603 2.168 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.397 8.527 2.074 1.00 0.00 C ATOM 809 CG2 VAL A 51 1.076 8.493 2.161 1.00 0.00 C ATOM 0 H VAL A 51 1.076 5.236 2.769 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.326 7.370 4.276 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.145 6.921 1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.316 9.148 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.304 7.926 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.440 9.165 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.080 9.109 1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.070 9.136 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.968 7.867 2.176 1.00 0.00 H new ATOM 819 N GLU A 52 -2.079 5.516 4.555 1.00 0.00 N ATOM 820 CA GLU A 52 -3.322 4.731 4.614 1.00 0.00 C ATOM 821 C GLU A 52 -4.515 5.551 4.086 1.00 0.00 C ATOM 822 O GLU A 52 -4.723 6.699 4.490 1.00 0.00 O ATOM 823 CB GLU A 52 -3.618 4.197 6.026 1.00 0.00 C ATOM 824 CG GLU A 52 -2.407 3.622 6.777 1.00 0.00 C ATOM 825 CD GLU A 52 -2.844 2.872 8.046 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.688 3.384 8.819 1.00 0.00 O ATOM 827 OE2 GLU A 52 -2.395 1.722 8.262 1.00 0.00 O ATOM 0 H GLU A 52 -1.737 5.831 5.463 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.175 3.865 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.043 5.005 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.380 3.421 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.858 2.945 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.725 4.429 7.045 1.00 0.00 H new ATOM 834 N ILE A 53 -5.307 4.974 3.177 1.00 0.00 N ATOM 835 CA ILE A 53 -6.489 5.610 2.572 1.00 0.00 C ATOM 836 C ILE A 53 -7.694 5.431 3.515 1.00 0.00 C ATOM 837 O ILE A 53 -8.550 4.563 3.327 1.00 0.00 O ATOM 838 CB ILE A 53 -6.740 5.074 1.141 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.475 5.063 0.244 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.863 5.867 0.444 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.788 6.421 0.061 1.00 0.00 C ATOM 0 H ILE A 53 -5.143 4.029 2.831 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.320 6.680 2.454 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.043 4.035 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.754 4.365 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.750 4.678 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.020 5.471 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.785 5.774 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.580 6.918 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.916 6.304 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.485 7.123 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.474 6.804 1.032 1.00 0.00 H new ATOM 853 N VAL A 54 -7.722 6.231 4.586 1.00 0.00 N ATOM 854 CA VAL A 54 -8.761 6.203 5.632 1.00 0.00 C ATOM 855 C VAL A 54 -10.160 6.568 5.092 1.00 0.00 C ATOM 856 O VAL A 54 -10.266 7.356 4.146 1.00 0.00 O ATOM 857 CB VAL A 54 -8.386 7.119 6.818 1.00 0.00 C ATOM 858 CG1 VAL A 54 -7.161 6.569 7.559 1.00 0.00 C ATOM 859 CG2 VAL A 54 -8.106 8.574 6.423 1.00 0.00 C ATOM 0 H VAL A 54 -7.005 6.936 4.758 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.811 5.173 5.986 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.265 7.122 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.913 7.228 8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.383 5.572 7.940 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.315 6.515 6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.850 9.150 7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.275 8.606 5.719 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.994 9.002 5.957 1.00 0.00 H new ATOM 869 N PRO A 55 -11.251 6.049 5.693 1.00 0.00 N ATOM 870 CA PRO A 55 -12.627 6.356 5.278 1.00 0.00 C ATOM 871 C PRO A 55 -13.120 7.752 5.716 1.00 0.00 C ATOM 872 O PRO A 55 -14.179 8.199 5.268 1.00 0.00 O ATOM 873 CB PRO A 55 -13.479 5.246 5.906 1.00 0.00 C ATOM 874 CG PRO A 55 -12.722 4.904 7.187 1.00 0.00 C ATOM 875 CD PRO A 55 -11.263 5.054 6.761 1.00 0.00 C ATOM 0 HA PRO A 55 -12.696 6.388 4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -14.492 5.587 6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.564 4.382 5.246 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.978 5.581 8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.942 3.893 7.531 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.644 5.375 7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.860 4.103 6.412 1.00 0.00 H new ATOM 883 N SER A 56 -12.372 8.450 6.578 1.00 0.00 N ATOM 884 CA SER A 56 -12.700 9.762 7.162 1.00 0.00 C ATOM 885 C SER A 56 -13.045 10.828 6.113 1.00 0.00 C ATOM 886 O SER A 56 -12.196 11.246 5.312 1.00 0.00 O ATOM 887 CB SER A 56 -11.542 10.243 8.048 1.00 0.00 C ATOM 888 OG SER A 56 -11.224 9.261 9.027 1.00 0.00 O ATOM 0 H SER A 56 -11.473 8.099 6.907 1.00 0.00 H new ATOM 0 HA SER A 56 -13.599 9.622 7.763 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.666 10.449 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.814 11.178 8.537 1.00 0.00 H new ATOM 0 HG SER A 56 -10.483 9.581 9.583 1.00 0.00 H new TER 894 SER A 56