USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=15 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 Set 1.1: A 16 SER OG : rot -169:sc= 1.25 USER MOD Set 1.2: A 46 SER OG : rot 65:sc= 1.23 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.637 K(o=0.64,f=-2.1!) USER MOD Set 3.1: A 25 LYS NZ :NH3+ 134:sc= 1.43 (180deg=0.625) USER MOD Set 3.2: A 26 SER OG : rot 180:sc= 0.645 USER MOD Set 4.1: A 19 SER OG : rot 117:sc= 0.716 USER MOD Set 4.2: A 21 THR OG1 : rot 87:sc= 0.756 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0266) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0684 (180deg=-0.12) USER MOD Single : A 3 CYS SG : rot 65:sc= 1.09 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= 1.21 (180deg=0.654) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -110:sc= 0.0198 USER MOD Single : A 42 ASN : amide:sc= 0.444 X(o=0.44,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.500 0.636 -9.142 1.00 0.00 N ATOM 2 CA MET A 1 -7.049 0.720 -7.783 1.00 0.00 C ATOM 3 C MET A 1 -6.855 -0.556 -6.942 1.00 0.00 C ATOM 4 O MET A 1 -7.162 -0.560 -5.748 1.00 0.00 O ATOM 5 CB MET A 1 -8.536 1.116 -7.848 1.00 0.00 C ATOM 6 CG MET A 1 -9.418 0.043 -8.508 1.00 0.00 C ATOM 7 SD MET A 1 -11.185 0.445 -8.597 1.00 0.00 S ATOM 8 CE MET A 1 -11.656 0.262 -6.852 1.00 0.00 C ATOM 0 H1 MET A 1 -6.773 1.483 -9.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.463 0.576 -9.094 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.875 -0.211 -9.616 1.00 0.00 H new ATOM 0 HA MET A 1 -6.478 1.491 -7.265 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.900 1.306 -6.838 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.633 2.049 -8.403 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.051 -0.135 -9.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.301 -0.890 -7.957 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.731 0.406 -6.748 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.389 -0.736 -6.506 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.131 1.006 -6.253 1.00 0.00 H new ATOM 18 N LEU A 2 -6.350 -1.633 -7.551 1.00 0.00 N ATOM 19 CA LEU A 2 -6.097 -2.934 -6.913 1.00 0.00 C ATOM 20 C LEU A 2 -4.613 -3.126 -6.596 1.00 0.00 C ATOM 21 O LEU A 2 -3.743 -2.559 -7.263 1.00 0.00 O ATOM 22 CB LEU A 2 -6.647 -4.073 -7.795 1.00 0.00 C ATOM 23 CG LEU A 2 -8.135 -3.956 -8.173 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.527 -5.111 -9.093 1.00 0.00 C ATOM 25 CD2 LEU A 2 -9.057 -3.999 -6.953 1.00 0.00 C ATOM 0 H LEU A 2 -6.096 -1.625 -8.539 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.624 -2.958 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.059 -4.116 -8.712 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.495 -5.018 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.255 -2.992 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.581 -5.024 -9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.921 -5.076 -9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.359 -6.058 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.094 -3.913 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.919 -4.943 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.816 -3.172 -6.285 1.00 0.00 H new ATOM 37 N CYS A 3 -4.328 -3.949 -5.582 1.00 0.00 N ATOM 38 CA CYS A 3 -3.013 -4.073 -4.988 1.00 0.00 C ATOM 39 C CYS A 3 -1.875 -4.415 -5.956 1.00 0.00 C ATOM 40 O CYS A 3 -1.965 -5.352 -6.746 1.00 0.00 O ATOM 41 CB CYS A 3 -3.088 -5.037 -3.787 1.00 0.00 C ATOM 42 SG CYS A 3 -4.624 -5.019 -2.847 1.00 0.00 S ATOM 0 H CYS A 3 -5.025 -4.555 -5.150 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.733 -3.077 -4.645 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.921 -6.051 -4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.268 -4.803 -3.108 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.596 -5.447 -3.596 1.00 0.00 H new ATOM 48 N ALA A 4 -0.753 -3.704 -5.827 1.00 0.00 N ATOM 49 CA ALA A 4 0.454 -4.033 -6.595 1.00 0.00 C ATOM 50 C ALA A 4 1.141 -5.322 -6.089 1.00 0.00 C ATOM 51 O ALA A 4 1.970 -5.894 -6.798 1.00 0.00 O ATOM 52 CB ALA A 4 1.430 -2.852 -6.587 1.00 0.00 C ATOM 0 H ALA A 4 -0.653 -2.903 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 4 0.143 -4.226 -7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.320 -3.111 -7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.951 -1.981 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.714 -2.622 -5.560 1.00 0.00 H new ATOM 58 N ILE A 5 0.797 -5.785 -4.873 1.00 0.00 N ATOM 59 CA ILE A 5 1.353 -7.005 -4.279 1.00 0.00 C ATOM 60 C ILE A 5 0.606 -8.254 -4.795 1.00 0.00 C ATOM 61 O ILE A 5 1.243 -9.109 -5.417 1.00 0.00 O ATOM 62 CB ILE A 5 1.401 -6.883 -2.740 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.417 -5.819 -2.260 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.825 -8.241 -2.140 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.778 -4.446 -2.046 1.00 0.00 C ATOM 0 H ILE A 5 0.119 -5.315 -4.273 1.00 0.00 H new ATOM 0 HA ILE A 5 2.387 -7.132 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 5 0.406 -6.583 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.873 -6.152 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.219 -5.732 -2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.861 -8.163 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.103 -9.006 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.811 -8.514 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.537 -3.740 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.346 -4.096 -2.983 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.995 -4.523 -1.292 1.00 0.00 H new ATOM 77 N SER A 6 -0.722 -8.351 -4.592 1.00 0.00 N ATOM 78 CA SER A 6 -1.529 -9.512 -5.049 1.00 0.00 C ATOM 79 C SER A 6 -2.733 -9.206 -5.945 1.00 0.00 C ATOM 80 O SER A 6 -3.303 -10.127 -6.529 1.00 0.00 O ATOM 81 CB SER A 6 -1.954 -10.447 -3.904 1.00 0.00 C ATOM 82 OG SER A 6 -0.843 -10.833 -3.110 1.00 0.00 O ATOM 0 H SER A 6 -1.267 -7.636 -4.111 1.00 0.00 H new ATOM 0 HA SER A 6 -0.814 -10.026 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.693 -9.946 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.434 -11.334 -4.316 1.00 0.00 H new ATOM 0 HG SER A 6 -1.145 -11.425 -2.390 1.00 0.00 H new ATOM 88 N GLY A 7 -3.124 -7.936 -6.095 1.00 0.00 N ATOM 89 CA GLY A 7 -4.192 -7.529 -7.020 1.00 0.00 C ATOM 90 C GLY A 7 -5.594 -7.791 -6.475 1.00 0.00 C ATOM 91 O GLY A 7 -6.583 -7.815 -7.210 1.00 0.00 O ATOM 0 H GLY A 7 -2.710 -7.160 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.088 -6.467 -7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.070 -8.063 -7.962 1.00 0.00 H new ATOM 95 N LYS A 8 -5.640 -8.012 -5.162 1.00 0.00 N ATOM 96 CA LYS A 8 -6.820 -8.214 -4.328 1.00 0.00 C ATOM 97 C LYS A 8 -7.658 -6.927 -4.255 1.00 0.00 C ATOM 98 O LYS A 8 -7.155 -5.837 -4.532 1.00 0.00 O ATOM 99 CB LYS A 8 -6.249 -8.640 -2.959 1.00 0.00 C ATOM 100 CG LYS A 8 -7.250 -9.107 -1.890 1.00 0.00 C ATOM 101 CD LYS A 8 -7.903 -10.434 -2.288 1.00 0.00 C ATOM 102 CE LYS A 8 -8.806 -10.936 -1.154 1.00 0.00 C ATOM 103 NZ LYS A 8 -9.451 -12.232 -1.496 1.00 0.00 N ATOM 0 H LYS A 8 -4.783 -8.058 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.503 -8.968 -4.719 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.536 -9.447 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.689 -7.799 -2.551 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.739 -9.222 -0.934 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.019 -8.347 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.488 -10.302 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.135 -11.175 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.217 -11.052 -0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.574 -10.192 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.053 -12.539 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.033 -12.115 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.718 -12.949 -1.672 1.00 0.00 H new ATOM 117 N VAL A 9 -8.932 -7.039 -3.874 1.00 0.00 N ATOM 118 CA VAL A 9 -9.766 -5.875 -3.528 1.00 0.00 C ATOM 119 C VAL A 9 -9.240 -5.371 -2.174 1.00 0.00 C ATOM 120 O VAL A 9 -9.331 -6.122 -1.197 1.00 0.00 O ATOM 121 CB VAL A 9 -11.264 -6.234 -3.459 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.111 -5.011 -3.086 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.762 -6.753 -4.816 1.00 0.00 C ATOM 0 H VAL A 9 -9.417 -7.933 -3.795 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.696 -5.103 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.370 -7.005 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.162 -5.295 -3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.799 -4.636 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.975 -4.232 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.821 -7.000 -4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.619 -5.983 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.199 -7.644 -5.093 1.00 0.00 H new ATOM 133 N PRO A 10 -8.629 -4.173 -2.081 1.00 0.00 N ATOM 134 CA PRO A 10 -7.916 -3.739 -0.879 1.00 0.00 C ATOM 135 C PRO A 10 -8.843 -3.627 0.340 1.00 0.00 C ATOM 136 O PRO A 10 -9.643 -2.696 0.451 1.00 0.00 O ATOM 137 CB PRO A 10 -7.229 -2.419 -1.251 1.00 0.00 C ATOM 138 CG PRO A 10 -8.072 -1.879 -2.404 1.00 0.00 C ATOM 139 CD PRO A 10 -8.541 -3.148 -3.113 1.00 0.00 C ATOM 0 HA PRO A 10 -7.174 -4.474 -0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.212 -1.726 -0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.194 -2.579 -1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.912 -1.284 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.488 -1.240 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.507 -2.993 -3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.840 -3.440 -3.895 1.00 0.00 H new ATOM 147 N ARG A 11 -8.724 -4.587 1.269 1.00 0.00 N ATOM 148 CA ARG A 11 -9.432 -4.624 2.564 1.00 0.00 C ATOM 149 C ARG A 11 -9.138 -3.372 3.394 1.00 0.00 C ATOM 150 O ARG A 11 -10.066 -2.743 3.907 1.00 0.00 O ATOM 151 CB ARG A 11 -9.078 -5.907 3.338 1.00 0.00 C ATOM 152 CG ARG A 11 -9.505 -7.185 2.589 1.00 0.00 C ATOM 153 CD ARG A 11 -9.123 -8.465 3.342 1.00 0.00 C ATOM 154 NE ARG A 11 -7.659 -8.648 3.412 1.00 0.00 N ATOM 155 CZ ARG A 11 -6.971 -9.764 3.544 1.00 0.00 C ATOM 156 NH1 ARG A 11 -7.529 -10.938 3.641 1.00 0.00 N ATOM 157 NH2 ARG A 11 -5.676 -9.693 3.586 1.00 0.00 N ATOM 0 H ARG A 11 -8.110 -5.391 1.137 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.504 -4.636 2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.003 -5.936 3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.561 -5.883 4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.584 -7.167 2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.041 -7.196 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.533 -8.428 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.573 -9.325 2.847 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.105 -7.794 3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.545 -11.023 3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.950 -11.771 3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.212 -8.787 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.122 -10.543 3.688 1.00 0.00 H new ATOM 171 N ARG A 12 -7.857 -2.984 3.471 1.00 0.00 N ATOM 172 CA ARG A 12 -7.388 -1.709 4.049 1.00 0.00 C ATOM 173 C ARG A 12 -6.573 -0.929 3.006 1.00 0.00 C ATOM 174 O ARG A 12 -5.381 -1.198 2.875 1.00 0.00 O ATOM 175 CB ARG A 12 -6.577 -1.997 5.324 1.00 0.00 C ATOM 176 CG ARG A 12 -7.429 -2.609 6.453 1.00 0.00 C ATOM 177 CD ARG A 12 -6.593 -3.499 7.374 1.00 0.00 C ATOM 178 NE ARG A 12 -6.174 -4.743 6.686 1.00 0.00 N ATOM 179 CZ ARG A 12 -6.428 -5.992 7.027 1.00 0.00 C ATOM 180 NH1 ARG A 12 -7.014 -6.314 8.146 1.00 0.00 N ATOM 181 NH2 ARG A 12 -6.100 -6.965 6.234 1.00 0.00 N ATOM 0 H ARG A 12 -7.093 -3.564 3.123 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.238 -1.085 4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.760 -2.677 5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.126 -1.070 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.887 -1.811 7.036 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.241 -3.194 6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.712 -2.952 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.171 -3.750 8.264 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.618 -4.617 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.297 -5.586 8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.189 -7.294 8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.644 -6.766 5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.298 -7.929 6.501 1.00 0.00 H new ATOM 195 N PRO A 13 -7.176 -0.023 2.209 1.00 0.00 N ATOM 196 CA PRO A 13 -6.490 0.697 1.141 1.00 0.00 C ATOM 197 C PRO A 13 -5.373 1.574 1.691 1.00 0.00 C ATOM 198 O PRO A 13 -5.558 2.429 2.557 1.00 0.00 O ATOM 199 CB PRO A 13 -7.556 1.499 0.382 1.00 0.00 C ATOM 200 CG PRO A 13 -8.692 1.606 1.393 1.00 0.00 C ATOM 201 CD PRO A 13 -8.587 0.257 2.095 1.00 0.00 C ATOM 0 HA PRO A 13 -5.997 0.006 0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.187 2.481 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.873 0.989 -0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.554 2.440 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.660 1.746 0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.059 0.290 3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.094 -0.521 1.524 1.00 0.00 H new ATOM 209 N VAL A 14 -4.185 1.332 1.163 1.00 0.00 N ATOM 210 CA VAL A 14 -2.938 1.982 1.571 1.00 0.00 C ATOM 211 C VAL A 14 -2.096 2.336 0.339 1.00 0.00 C ATOM 212 O VAL A 14 -2.181 1.670 -0.692 1.00 0.00 O ATOM 213 CB VAL A 14 -2.210 1.087 2.605 1.00 0.00 C ATOM 214 CG1 VAL A 14 -1.108 0.205 2.023 1.00 0.00 C ATOM 215 CG2 VAL A 14 -1.635 1.928 3.740 1.00 0.00 C ATOM 0 H VAL A 14 -4.051 0.655 0.412 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.139 2.931 2.068 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.980 0.412 2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.655 -0.385 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.534 -0.463 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.347 0.832 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.129 1.278 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.923 2.647 3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.442 2.460 4.243 1.00 0.00 H new ATOM 225 N LEU A 15 -1.284 3.386 0.439 1.00 0.00 N ATOM 226 CA LEU A 15 -0.507 3.974 -0.656 1.00 0.00 C ATOM 227 C LEU A 15 0.939 4.256 -0.210 1.00 0.00 C ATOM 228 O LEU A 15 1.188 4.592 0.951 1.00 0.00 O ATOM 229 CB LEU A 15 -1.234 5.270 -1.079 1.00 0.00 C ATOM 230 CG LEU A 15 -0.555 6.111 -2.185 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.605 6.780 -3.073 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.303 7.245 -1.611 1.00 0.00 C ATOM 0 H LEU A 15 -1.142 3.874 1.323 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.439 3.287 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.235 5.005 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.353 5.899 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 15 0.068 5.414 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.108 7.367 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.226 6.016 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.231 7.434 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.758 7.806 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.324 7.911 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.085 6.825 -0.979 1.00 0.00 H new ATOM 244 N SER A 16 1.885 4.173 -1.146 1.00 0.00 N ATOM 245 CA SER A 16 3.270 4.629 -0.977 1.00 0.00 C ATOM 246 C SER A 16 3.498 5.819 -1.916 1.00 0.00 C ATOM 247 O SER A 16 3.148 5.722 -3.095 1.00 0.00 O ATOM 248 CB SER A 16 4.269 3.522 -1.311 1.00 0.00 C ATOM 249 OG SER A 16 5.583 4.025 -1.198 1.00 0.00 O ATOM 0 H SER A 16 1.707 3.776 -2.069 1.00 0.00 H new ATOM 0 HA SER A 16 3.425 4.914 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.132 2.678 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.095 3.153 -2.322 1.00 0.00 H new ATOM 0 HG SER A 16 6.215 3.377 -1.574 1.00 0.00 H new ATOM 255 N PRO A 17 4.074 6.946 -1.459 1.00 0.00 N ATOM 256 CA PRO A 17 4.267 8.128 -2.303 1.00 0.00 C ATOM 257 C PRO A 17 5.289 7.934 -3.443 1.00 0.00 C ATOM 258 O PRO A 17 5.422 8.825 -4.287 1.00 0.00 O ATOM 259 CB PRO A 17 4.660 9.252 -1.336 1.00 0.00 C ATOM 260 CG PRO A 17 5.303 8.516 -0.163 1.00 0.00 C ATOM 261 CD PRO A 17 4.533 7.200 -0.104 1.00 0.00 C ATOM 0 HA PRO A 17 3.352 8.360 -2.847 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.356 9.952 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.791 9.828 -1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.368 8.351 -0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.207 9.079 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.170 6.390 0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.692 7.270 0.586 1.00 0.00 H new ATOM 269 N LYS A 18 5.982 6.783 -3.504 1.00 0.00 N ATOM 270 CA LYS A 18 6.898 6.403 -4.588 1.00 0.00 C ATOM 271 C LYS A 18 6.127 5.852 -5.792 1.00 0.00 C ATOM 272 O LYS A 18 6.281 6.348 -6.908 1.00 0.00 O ATOM 273 CB LYS A 18 7.924 5.367 -4.094 1.00 0.00 C ATOM 274 CG LYS A 18 8.995 5.893 -3.122 1.00 0.00 C ATOM 275 CD LYS A 18 8.505 6.177 -1.691 1.00 0.00 C ATOM 276 CE LYS A 18 9.650 6.023 -0.681 1.00 0.00 C ATOM 277 NZ LYS A 18 9.834 4.601 -0.300 1.00 0.00 N ATOM 0 H LYS A 18 5.916 6.071 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 18 7.431 7.300 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.385 4.555 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.427 4.940 -4.962 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.805 5.166 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.415 6.811 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.098 7.187 -1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.696 5.493 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.574 6.411 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.438 6.617 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.841 4.419 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.281 4.397 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.509 3.989 -1.076 1.00 0.00 H new ATOM 291 N SER A 19 5.297 4.828 -5.567 1.00 0.00 N ATOM 292 CA SER A 19 4.467 4.169 -6.581 1.00 0.00 C ATOM 293 C SER A 19 3.189 4.955 -6.902 1.00 0.00 C ATOM 294 O SER A 19 2.752 4.990 -8.055 1.00 0.00 O ATOM 295 CB SER A 19 4.104 2.772 -6.070 1.00 0.00 C ATOM 296 OG SER A 19 3.247 2.831 -4.944 1.00 0.00 O ATOM 0 H SER A 19 5.181 4.420 -4.639 1.00 0.00 H new ATOM 0 HA SER A 19 5.039 4.113 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.619 2.208 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.014 2.233 -5.806 1.00 0.00 H new ATOM 0 HG SER A 19 2.388 2.414 -5.165 1.00 0.00 H new ATOM 302 N ARG A 20 2.600 5.597 -5.881 1.00 0.00 N ATOM 303 CA ARG A 20 1.324 6.344 -5.866 1.00 0.00 C ATOM 304 C ARG A 20 0.091 5.501 -6.245 1.00 0.00 C ATOM 305 O ARG A 20 -0.999 6.040 -6.450 1.00 0.00 O ATOM 306 CB ARG A 20 1.461 7.673 -6.642 1.00 0.00 C ATOM 307 CG ARG A 20 2.754 8.426 -6.266 1.00 0.00 C ATOM 308 CD ARG A 20 2.815 9.861 -6.797 1.00 0.00 C ATOM 309 NE ARG A 20 2.022 10.796 -5.974 1.00 0.00 N ATOM 310 CZ ARG A 20 2.394 11.389 -4.853 1.00 0.00 C ATOM 311 NH1 ARG A 20 3.534 11.147 -4.266 1.00 0.00 N ATOM 312 NH2 ARG A 20 1.608 12.255 -4.280 1.00 0.00 N ATOM 0 H ARG A 20 3.041 5.610 -4.961 1.00 0.00 H new ATOM 0 HA ARG A 20 1.117 6.607 -4.829 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.457 7.470 -7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.598 8.306 -6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.848 8.447 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.610 7.871 -6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.853 10.193 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.448 9.882 -7.823 1.00 0.00 H new ATOM 0 HE ARG A 20 1.082 11.008 -6.308 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.184 10.474 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.775 11.631 -3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.704 12.477 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.897 12.712 -3.415 1.00 0.00 H new ATOM 326 N THR A 21 0.256 4.180 -6.314 1.00 0.00 N ATOM 327 CA THR A 21 -0.773 3.140 -6.450 1.00 0.00 C ATOM 328 C THR A 21 -1.498 2.877 -5.120 1.00 0.00 C ATOM 329 O THR A 21 -1.130 3.438 -4.086 1.00 0.00 O ATOM 330 CB THR A 21 -0.090 1.849 -6.934 1.00 0.00 C ATOM 331 OG1 THR A 21 0.953 1.471 -6.059 1.00 0.00 O ATOM 332 CG2 THR A 21 0.548 2.022 -8.309 1.00 0.00 C ATOM 0 H THR A 21 1.190 3.772 -6.273 1.00 0.00 H new ATOM 0 HA THR A 21 -1.522 3.477 -7.166 1.00 0.00 H new ATOM 0 HB THR A 21 -0.875 1.094 -6.970 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.588 0.926 -5.331 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.019 1.087 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.219 2.294 -9.034 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.301 2.809 -8.264 1.00 0.00 H new ATOM 340 N ILE A 22 -2.518 2.009 -5.120 1.00 0.00 N ATOM 341 CA ILE A 22 -3.180 1.518 -3.905 1.00 0.00 C ATOM 342 C ILE A 22 -2.927 0.017 -3.790 1.00 0.00 C ATOM 343 O ILE A 22 -3.110 -0.725 -4.755 1.00 0.00 O ATOM 344 CB ILE A 22 -4.697 1.804 -3.938 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.076 3.284 -4.170 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.407 1.268 -2.679 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.644 4.238 -3.053 1.00 0.00 C ATOM 0 H ILE A 22 -2.912 1.622 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.770 2.037 -3.039 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.050 1.262 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.629 3.617 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.157 3.353 -4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.473 1.489 -2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.263 0.190 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.988 1.746 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.952 5.253 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.112 3.937 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.560 4.204 -2.945 1.00 0.00 H new ATOM 359 N PHE A 23 -2.529 -0.432 -2.607 1.00 0.00 N ATOM 360 CA PHE A 23 -2.446 -1.834 -2.202 1.00 0.00 C ATOM 361 C PHE A 23 -3.157 -2.041 -0.873 1.00 0.00 C ATOM 362 O PHE A 23 -3.649 -1.099 -0.250 1.00 0.00 O ATOM 363 CB PHE A 23 -1.002 -2.393 -2.224 1.00 0.00 C ATOM 364 CG PHE A 23 0.117 -1.374 -2.210 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.376 -0.656 -1.043 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.892 -1.139 -3.350 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.301 0.406 -1.054 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.867 -0.129 -3.358 1.00 0.00 C ATOM 369 CZ PHE A 23 2.046 0.667 -2.216 1.00 0.00 C ATOM 0 H PHE A 23 -2.240 0.203 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.971 -2.428 -2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.877 -3.049 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.889 -3.011 -3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.135 -0.915 -0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.739 -1.741 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.437 1.017 -0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.474 0.034 -4.236 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.757 1.480 -2.231 1.00 0.00 H new ATOM 379 N GLU A 24 -3.266 -3.300 -0.460 1.00 0.00 N ATOM 380 CA GLU A 24 -3.778 -3.583 0.877 1.00 0.00 C ATOM 381 C GLU A 24 -2.709 -3.206 1.925 1.00 0.00 C ATOM 382 O GLU A 24 -1.513 -3.351 1.643 1.00 0.00 O ATOM 383 CB GLU A 24 -4.192 -5.048 1.021 1.00 0.00 C ATOM 384 CG GLU A 24 -5.490 -5.264 1.806 1.00 0.00 C ATOM 385 CD GLU A 24 -5.241 -5.728 3.242 1.00 0.00 C ATOM 386 OE1 GLU A 24 -4.961 -4.888 4.119 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.391 -6.937 3.522 1.00 0.00 O ATOM 0 H GLU A 24 -3.015 -4.119 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.672 -2.981 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.307 -5.480 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.388 -5.593 1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.059 -4.334 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.103 -6.004 1.291 1.00 0.00 H new ATOM 394 N LYS A 25 -3.091 -2.834 3.156 1.00 0.00 N ATOM 395 CA LYS A 25 -2.147 -2.640 4.266 1.00 0.00 C ATOM 396 C LYS A 25 -1.366 -3.925 4.470 1.00 0.00 C ATOM 397 O LYS A 25 -0.139 -3.913 4.476 1.00 0.00 O ATOM 398 CB LYS A 25 -2.877 -2.249 5.569 1.00 0.00 C ATOM 399 CG LYS A 25 -1.862 -1.961 6.697 1.00 0.00 C ATOM 400 CD LYS A 25 -2.460 -1.954 8.112 1.00 0.00 C ATOM 401 CE LYS A 25 -3.022 -3.298 8.616 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.064 -4.433 8.531 1.00 0.00 N ATOM 0 H LYS A 25 -4.063 -2.659 3.410 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.471 -1.823 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.495 -1.368 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.547 -3.054 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.071 -2.710 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.396 -0.994 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.690 -1.621 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.260 -1.214 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.337 -3.181 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.913 -3.546 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.079 -4.968 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.337 -5.059 7.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.105 -4.066 8.364 1.00 0.00 H new ATOM 416 N SER A 26 -2.085 -5.037 4.606 1.00 0.00 N ATOM 417 CA SER A 26 -1.469 -6.295 5.023 1.00 0.00 C ATOM 418 C SER A 26 -0.670 -6.992 3.916 1.00 0.00 C ATOM 419 O SER A 26 0.283 -7.712 4.221 1.00 0.00 O ATOM 420 CB SER A 26 -2.508 -7.228 5.638 1.00 0.00 C ATOM 421 OG SER A 26 -3.019 -6.607 6.807 1.00 0.00 O ATOM 0 H SER A 26 -3.089 -5.093 4.435 1.00 0.00 H new ATOM 0 HA SER A 26 -0.735 -6.036 5.786 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.312 -7.424 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.058 -8.190 5.883 1.00 0.00 H new ATOM 0 HG SER A 26 -3.691 -7.189 7.219 1.00 0.00 H new ATOM 427 N LEU A 27 -0.975 -6.733 2.637 1.00 0.00 N ATOM 428 CA LEU A 27 -0.144 -7.207 1.528 1.00 0.00 C ATOM 429 C LEU A 27 1.179 -6.429 1.444 1.00 0.00 C ATOM 430 O LEU A 27 2.238 -7.038 1.287 1.00 0.00 O ATOM 431 CB LEU A 27 -0.878 -7.114 0.183 1.00 0.00 C ATOM 432 CG LEU A 27 -2.218 -7.846 -0.017 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.466 -7.982 -1.505 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.332 -9.202 0.667 1.00 0.00 C ATOM 0 H LEU A 27 -1.793 -6.197 2.347 1.00 0.00 H new ATOM 0 HA LEU A 27 0.074 -8.255 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.053 -6.057 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.194 -7.475 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.980 -7.237 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.411 -8.499 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.509 -6.992 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.656 -8.554 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.313 -9.631 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.558 -9.868 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.207 -9.079 1.743 1.00 0.00 H new ATOM 446 N LEU A 28 1.141 -5.096 1.577 1.00 0.00 N ATOM 447 CA LEU A 28 2.360 -4.281 1.605 1.00 0.00 C ATOM 448 C LEU A 28 3.198 -4.647 2.836 1.00 0.00 C ATOM 449 O LEU A 28 4.401 -4.844 2.719 1.00 0.00 O ATOM 450 CB LEU A 28 2.045 -2.782 1.617 1.00 0.00 C ATOM 451 CG LEU A 28 3.331 -1.920 1.546 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.925 -1.887 0.139 1.00 0.00 C ATOM 453 CD2 LEU A 28 3.009 -0.521 2.047 1.00 0.00 C ATOM 0 H LEU A 28 0.278 -4.560 1.667 1.00 0.00 H new ATOM 0 HA LEU A 28 2.923 -4.493 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.399 -2.540 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.492 -2.535 2.523 1.00 0.00 H new ATOM 0 HG LEU A 28 4.093 -2.370 2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.824 -1.271 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.179 -2.900 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.196 -1.466 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.906 0.097 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.233 -0.080 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.657 -0.576 3.077 1.00 0.00 H new ATOM 465 N GLU A 29 2.561 -4.774 4.005 1.00 0.00 N ATOM 466 CA GLU A 29 3.191 -5.155 5.277 1.00 0.00 C ATOM 467 C GLU A 29 3.979 -6.473 5.150 1.00 0.00 C ATOM 468 O GLU A 29 5.095 -6.587 5.656 1.00 0.00 O ATOM 469 CB GLU A 29 2.113 -5.235 6.371 1.00 0.00 C ATOM 470 CG GLU A 29 2.673 -5.370 7.792 1.00 0.00 C ATOM 471 CD GLU A 29 1.529 -5.449 8.825 1.00 0.00 C ATOM 472 OE1 GLU A 29 0.697 -4.511 8.904 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.449 -6.455 9.570 1.00 0.00 O ATOM 0 H GLU A 29 1.559 -4.609 4.096 1.00 0.00 H new ATOM 0 HA GLU A 29 3.918 -4.392 5.555 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.492 -4.341 6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.464 -6.086 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.293 -6.264 7.860 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.315 -4.518 8.018 1.00 0.00 H new ATOM 480 N GLN A 30 3.454 -7.441 4.392 1.00 0.00 N ATOM 481 CA GLN A 30 4.176 -8.668 4.047 1.00 0.00 C ATOM 482 C GLN A 30 5.443 -8.376 3.228 1.00 0.00 C ATOM 483 O GLN A 30 6.538 -8.821 3.577 1.00 0.00 O ATOM 484 CB GLN A 30 3.235 -9.614 3.282 1.00 0.00 C ATOM 485 CG GLN A 30 3.768 -11.052 3.235 1.00 0.00 C ATOM 486 CD GLN A 30 2.795 -11.987 2.519 1.00 0.00 C ATOM 487 OE1 GLN A 30 2.022 -12.715 3.132 1.00 0.00 O ATOM 488 NE2 GLN A 30 2.787 -12.008 1.201 1.00 0.00 N ATOM 0 H GLN A 30 2.514 -7.395 4.000 1.00 0.00 H new ATOM 0 HA GLN A 30 4.501 -9.147 4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.253 -9.608 3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.100 -9.245 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.731 -11.068 2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.939 -11.411 4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.424 -11.408 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.143 -12.624 0.705 1.00 0.00 H new ATOM 497 N TYR A 31 5.303 -7.606 2.145 1.00 0.00 N ATOM 498 CA TYR A 31 6.372 -7.330 1.179 1.00 0.00 C ATOM 499 C TYR A 31 7.503 -6.485 1.784 1.00 0.00 C ATOM 500 O TYR A 31 8.692 -6.701 1.536 1.00 0.00 O ATOM 501 CB TYR A 31 5.748 -6.632 -0.039 1.00 0.00 C ATOM 502 CG TYR A 31 6.686 -6.478 -1.220 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.165 -7.627 -1.874 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.065 -5.206 -1.682 1.00 0.00 C ATOM 505 CE1 TYR A 31 7.981 -7.506 -3.018 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.925 -5.089 -2.790 1.00 0.00 C ATOM 507 CZ TYR A 31 8.375 -6.234 -3.474 1.00 0.00 C ATOM 508 OH TYR A 31 9.174 -6.119 -4.569 1.00 0.00 O ATOM 0 H TYR A 31 4.423 -7.146 1.910 1.00 0.00 H new ATOM 0 HA TYR A 31 6.832 -8.272 0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.872 -7.197 -0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.398 -5.645 0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.907 -8.606 -1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.697 -4.319 -1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.304 -8.391 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.243 -4.111 -3.119 1.00 0.00 H new ATOM 0 HH TYR A 31 9.350 -5.172 -4.748 1.00 0.00 H new ATOM 518 N VAL A 32 7.128 -5.538 2.640 1.00 0.00 N ATOM 519 CA VAL A 32 8.041 -4.587 3.277 1.00 0.00 C ATOM 520 C VAL A 32 8.756 -5.191 4.509 1.00 0.00 C ATOM 521 O VAL A 32 9.816 -4.736 4.935 1.00 0.00 O ATOM 522 CB VAL A 32 7.245 -3.302 3.611 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.429 -3.439 4.894 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.098 -2.050 3.765 1.00 0.00 C ATOM 0 H VAL A 32 6.156 -5.406 2.918 1.00 0.00 H new ATOM 0 HA VAL A 32 8.848 -4.336 2.588 1.00 0.00 H new ATOM 0 HB VAL A 32 6.598 -3.185 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.890 -2.511 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.717 -4.257 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.097 -3.647 5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.457 -1.200 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.816 -2.196 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.633 -1.857 2.835 1.00 0.00 H new ATOM 534 N LYS A 33 8.202 -6.261 5.078 1.00 0.00 N ATOM 535 CA LYS A 33 8.828 -7.111 6.102 1.00 0.00 C ATOM 536 C LYS A 33 9.781 -8.134 5.464 1.00 0.00 C ATOM 537 O LYS A 33 10.741 -8.580 6.094 1.00 0.00 O ATOM 538 CB LYS A 33 7.684 -7.790 6.862 1.00 0.00 C ATOM 539 CG LYS A 33 8.099 -8.740 7.988 1.00 0.00 C ATOM 540 CD LYS A 33 6.812 -9.287 8.619 1.00 0.00 C ATOM 541 CE LYS A 33 7.076 -10.361 9.684 1.00 0.00 C ATOM 542 NZ LYS A 33 7.748 -9.811 10.893 1.00 0.00 N ATOM 0 H LYS A 33 7.264 -6.577 4.830 1.00 0.00 H new ATOM 0 HA LYS A 33 9.441 -6.522 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.044 -7.015 7.284 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.079 -8.348 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.712 -9.553 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.699 -8.216 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.257 -8.464 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.180 -9.707 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.131 -10.820 9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.695 -11.149 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.904 -10.575 11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.663 -9.396 10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.148 -9.077 11.320 1.00 0.00 H new ATOM 556 N ASP A 34 9.532 -8.474 4.199 1.00 0.00 N ATOM 557 CA ASP A 34 10.327 -9.392 3.374 1.00 0.00 C ATOM 558 C ASP A 34 11.648 -8.746 2.936 1.00 0.00 C ATOM 559 O ASP A 34 12.731 -9.284 3.177 1.00 0.00 O ATOM 560 CB ASP A 34 9.521 -9.787 2.122 1.00 0.00 C ATOM 561 CG ASP A 34 9.233 -11.295 2.061 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.202 -12.089 2.000 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.046 -11.699 2.053 1.00 0.00 O ATOM 0 H ASP A 34 8.730 -8.099 3.694 1.00 0.00 H new ATOM 0 HA ASP A 34 10.555 -10.274 3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.579 -9.239 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.072 -9.489 1.230 1.00 0.00 H new ATOM 568 N THR A 35 11.540 -7.586 2.280 1.00 0.00 N ATOM 569 CA THR A 35 12.664 -6.858 1.664 1.00 0.00 C ATOM 570 C THR A 35 12.623 -5.363 1.962 1.00 0.00 C ATOM 571 O THR A 35 13.652 -4.684 1.898 1.00 0.00 O ATOM 572 CB THR A 35 12.687 -7.050 0.138 1.00 0.00 C ATOM 573 OG1 THR A 35 11.509 -6.530 -0.446 1.00 0.00 O ATOM 574 CG2 THR A 35 12.843 -8.506 -0.301 1.00 0.00 C ATOM 0 H THR A 35 10.646 -7.111 2.157 1.00 0.00 H new ATOM 0 HA THR A 35 13.567 -7.280 2.106 1.00 0.00 H new ATOM 0 HB THR A 35 13.567 -6.507 -0.206 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.541 -6.659 -1.417 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.850 -8.559 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.780 -8.905 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.010 -9.094 0.085 1.00 0.00 H new ATOM 582 N GLY A 36 11.445 -4.836 2.315 1.00 0.00 N ATOM 583 CA GLY A 36 11.210 -3.416 2.567 1.00 0.00 C ATOM 584 C GLY A 36 10.964 -2.598 1.304 1.00 0.00 C ATOM 585 O GLY A 36 10.470 -1.482 1.389 1.00 0.00 O ATOM 0 H GLY A 36 10.607 -5.405 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.350 -3.312 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.070 -3.003 3.094 1.00 0.00 H new ATOM 589 N ASN A 37 11.264 -3.128 0.125 1.00 0.00 N ATOM 590 CA ASN A 37 11.187 -2.379 -1.127 1.00 0.00 C ATOM 591 C ASN A 37 9.729 -2.017 -1.485 1.00 0.00 C ATOM 592 O ASN A 37 8.791 -2.726 -1.117 1.00 0.00 O ATOM 593 CB ASN A 37 11.884 -3.212 -2.217 1.00 0.00 C ATOM 594 CG ASN A 37 13.372 -3.406 -1.947 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.818 -4.429 -1.457 1.00 0.00 O ATOM 596 ND2 ASN A 37 14.213 -2.446 -2.254 1.00 0.00 N ATOM 0 H ASN A 37 11.569 -4.094 0.008 1.00 0.00 H new ATOM 0 HA ASN A 37 11.699 -1.422 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.402 -4.187 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.755 -2.722 -3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.211 -2.568 -2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.869 -1.579 -2.665 1.00 0.00 H new ATOM 603 N ASP A 38 9.518 -0.914 -2.203 1.00 0.00 N ATOM 604 CA ASP A 38 8.220 -0.582 -2.803 1.00 0.00 C ATOM 605 C ASP A 38 7.892 -1.575 -3.946 1.00 0.00 C ATOM 606 O ASP A 38 8.791 -1.911 -4.723 1.00 0.00 O ATOM 607 CB ASP A 38 8.239 0.849 -3.354 1.00 0.00 C ATOM 608 CG ASP A 38 8.187 1.893 -2.234 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.179 1.936 -1.494 1.00 0.00 O ATOM 610 OD2 ASP A 38 9.136 2.695 -2.111 1.00 0.00 O ATOM 0 H ASP A 38 10.244 -0.221 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 38 7.453 -0.656 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.141 0.998 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.390 0.992 -4.023 1.00 0.00 H new ATOM 615 N PRO A 39 6.640 -2.045 -4.118 1.00 0.00 N ATOM 616 CA PRO A 39 6.271 -3.071 -5.112 1.00 0.00 C ATOM 617 C PRO A 39 6.595 -2.780 -6.593 1.00 0.00 C ATOM 618 O PRO A 39 6.516 -3.699 -7.412 1.00 0.00 O ATOM 619 CB PRO A 39 4.755 -3.232 -4.966 1.00 0.00 C ATOM 620 CG PRO A 39 4.490 -2.858 -3.515 1.00 0.00 C ATOM 621 CD PRO A 39 5.506 -1.755 -3.250 1.00 0.00 C ATOM 0 HA PRO A 39 6.872 -3.954 -4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.215 -2.580 -5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.438 -4.253 -5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.468 -2.508 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.634 -3.707 -2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.085 -0.774 -3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.808 -1.744 -2.203 1.00 0.00 H new ATOM 629 N ILE A 40 6.917 -1.530 -6.965 1.00 0.00 N ATOM 630 CA ILE A 40 7.037 -1.069 -8.364 1.00 0.00 C ATOM 631 C ILE A 40 8.362 -0.341 -8.621 1.00 0.00 C ATOM 632 O ILE A 40 9.067 -0.666 -9.577 1.00 0.00 O ATOM 633 CB ILE A 40 5.806 -0.197 -8.727 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.538 -1.074 -8.843 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.000 0.580 -10.042 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.253 -0.290 -8.574 1.00 0.00 C ATOM 0 H ILE A 40 7.106 -0.792 -6.287 1.00 0.00 H new ATOM 0 HA ILE A 40 7.050 -1.940 -9.019 1.00 0.00 H new ATOM 0 HB ILE A 40 5.691 0.527 -7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.492 -1.509 -9.842 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.608 -1.902 -8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.109 1.174 -10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.863 1.240 -9.951 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.165 -0.123 -10.859 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.394 -0.955 -8.669 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.283 0.122 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.164 0.522 -9.296 1.00 0.00 H new ATOM 648 N THR A 41 8.716 0.635 -7.780 1.00 0.00 N ATOM 649 CA THR A 41 9.973 1.403 -7.900 1.00 0.00 C ATOM 650 C THR A 41 11.151 0.713 -7.207 1.00 0.00 C ATOM 651 O THR A 41 12.301 1.116 -7.396 1.00 0.00 O ATOM 652 CB THR A 41 9.838 2.830 -7.358 1.00 0.00 C ATOM 653 OG1 THR A 41 9.185 2.778 -6.121 1.00 0.00 O ATOM 654 CG2 THR A 41 8.998 3.720 -8.274 1.00 0.00 C ATOM 0 H THR A 41 8.139 0.922 -6.989 1.00 0.00 H new ATOM 0 HA THR A 41 10.177 1.450 -8.970 1.00 0.00 H new ATOM 0 HB THR A 41 10.842 3.248 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.287 3.162 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.931 4.721 -7.847 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.466 3.775 -9.257 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.997 3.300 -8.372 1.00 0.00 H new ATOM 662 N ASN A 42 10.876 -0.329 -6.408 1.00 0.00 N ATOM 663 CA ASN A 42 11.778 -1.035 -5.513 1.00 0.00 C ATOM 664 C ASN A 42 12.681 -0.137 -4.652 1.00 0.00 C ATOM 665 O ASN A 42 13.776 -0.541 -4.262 1.00 0.00 O ATOM 666 CB ASN A 42 12.453 -2.198 -6.259 1.00 0.00 C ATOM 667 CG ASN A 42 13.514 -1.802 -7.278 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.335 -1.942 -8.481 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.665 -1.342 -6.841 1.00 0.00 N ATOM 0 H ASN A 42 9.937 -0.725 -6.376 1.00 0.00 H new ATOM 0 HA ASN A 42 11.184 -1.494 -4.722 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.911 -2.860 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.682 -2.774 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.403 -1.104 -7.503 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.820 -1.223 -5.840 1.00 0.00 H new ATOM 676 N GLU A 43 12.214 1.063 -4.296 1.00 0.00 N ATOM 677 CA GLU A 43 12.950 1.899 -3.333 1.00 0.00 C ATOM 678 C GLU A 43 12.850 1.277 -1.922 1.00 0.00 C ATOM 679 O GLU A 43 11.756 0.862 -1.531 1.00 0.00 O ATOM 680 CB GLU A 43 12.468 3.358 -3.333 1.00 0.00 C ATOM 681 CG GLU A 43 12.587 4.017 -4.718 1.00 0.00 C ATOM 682 CD GLU A 43 13.103 5.465 -4.622 1.00 0.00 C ATOM 683 OE1 GLU A 43 14.343 5.669 -4.636 1.00 0.00 O ATOM 684 OE2 GLU A 43 12.283 6.411 -4.538 1.00 0.00 O ATOM 0 H GLU A 43 11.350 1.474 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 43 13.995 1.924 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.429 3.394 -3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.051 3.930 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.262 3.431 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.614 4.010 -5.208 1.00 0.00 H new ATOM 691 N PRO A 44 13.957 1.133 -1.168 1.00 0.00 N ATOM 692 CA PRO A 44 13.959 0.410 0.106 1.00 0.00 C ATOM 693 C PRO A 44 13.173 1.154 1.198 1.00 0.00 C ATOM 694 O PRO A 44 13.327 2.368 1.362 1.00 0.00 O ATOM 695 CB PRO A 44 15.437 0.240 0.472 1.00 0.00 C ATOM 696 CG PRO A 44 16.123 1.414 -0.223 1.00 0.00 C ATOM 697 CD PRO A 44 15.301 1.584 -1.500 1.00 0.00 C ATOM 0 HA PRO A 44 13.456 -0.553 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.588 0.271 1.551 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.828 -0.716 0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.105 2.314 0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.169 1.199 -0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.295 2.624 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.720 0.996 -2.317 1.00 0.00 H new ATOM 705 N LEU A 45 12.376 0.396 1.966 1.00 0.00 N ATOM 706 CA LEU A 45 11.411 0.836 2.994 1.00 0.00 C ATOM 707 C LEU A 45 10.189 1.562 2.380 1.00 0.00 C ATOM 708 O LEU A 45 10.306 2.360 1.449 1.00 0.00 O ATOM 709 CB LEU A 45 12.074 1.607 4.158 1.00 0.00 C ATOM 710 CG LEU A 45 12.930 0.745 5.113 1.00 0.00 C ATOM 711 CD1 LEU A 45 14.210 0.183 4.495 1.00 0.00 C ATOM 712 CD2 LEU A 45 13.349 1.600 6.310 1.00 0.00 C ATOM 0 H LEU A 45 12.388 -0.620 1.880 1.00 0.00 H new ATOM 0 HA LEU A 45 11.015 -0.070 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.703 2.393 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.293 2.099 4.739 1.00 0.00 H new ATOM 0 HG LEU A 45 12.300 -0.102 5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.744 -0.408 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.956 -0.449 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.844 1.004 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.954 1.001 6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.931 2.453 5.962 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.461 1.956 6.832 1.00 0.00 H new ATOM 724 N SER A 46 8.997 1.285 2.923 1.00 0.00 N ATOM 725 CA SER A 46 7.690 1.688 2.373 1.00 0.00 C ATOM 726 C SER A 46 6.743 2.150 3.479 1.00 0.00 C ATOM 727 O SER A 46 6.258 3.278 3.481 1.00 0.00 O ATOM 728 CB SER A 46 7.069 0.534 1.580 1.00 0.00 C ATOM 729 OG SER A 46 6.076 1.017 0.705 1.00 0.00 O ATOM 0 H SER A 46 8.910 0.754 3.790 1.00 0.00 H new ATOM 0 HA SER A 46 7.851 2.530 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.843 0.017 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.636 -0.195 2.265 1.00 0.00 H new ATOM 0 HG SER A 46 6.489 1.594 0.028 1.00 0.00 H new ATOM 735 N ILE A 47 6.538 1.285 4.476 1.00 0.00 N ATOM 736 CA ILE A 47 5.725 1.509 5.676 1.00 0.00 C ATOM 737 C ILE A 47 6.174 2.683 6.557 1.00 0.00 C ATOM 738 O ILE A 47 5.348 3.386 7.134 1.00 0.00 O ATOM 739 CB ILE A 47 5.602 0.179 6.462 1.00 0.00 C ATOM 740 CG1 ILE A 47 4.454 0.152 7.491 1.00 0.00 C ATOM 741 CG2 ILE A 47 6.918 -0.212 7.156 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.078 0.112 6.817 1.00 0.00 C ATOM 0 H ILE A 47 6.959 0.356 4.467 1.00 0.00 H new ATOM 0 HA ILE A 47 4.738 1.825 5.338 1.00 0.00 H new ATOM 0 HB ILE A 47 5.363 -0.557 5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.567 -0.719 8.137 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.519 1.033 8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.781 -1.150 7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.702 -0.333 6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.205 0.570 7.859 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.300 0.094 7.580 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.953 0.996 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.001 -0.783 6.199 1.00 0.00 H new ATOM 754 N GLU A 48 7.470 2.979 6.573 1.00 0.00 N ATOM 755 CA GLU A 48 8.045 4.172 7.203 1.00 0.00 C ATOM 756 C GLU A 48 7.721 5.462 6.422 1.00 0.00 C ATOM 757 O GLU A 48 8.040 6.564 6.872 1.00 0.00 O ATOM 758 CB GLU A 48 9.566 3.994 7.372 1.00 0.00 C ATOM 759 CG GLU A 48 9.946 2.870 8.350 1.00 0.00 C ATOM 760 CD GLU A 48 9.417 3.125 9.777 1.00 0.00 C ATOM 761 OE1 GLU A 48 9.955 4.016 10.480 1.00 0.00 O ATOM 762 OE2 GLU A 48 8.468 2.432 10.214 1.00 0.00 O ATOM 0 H GLU A 48 8.172 2.381 6.137 1.00 0.00 H new ATOM 0 HA GLU A 48 7.587 4.282 8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.010 3.784 6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.997 4.932 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.549 1.924 7.983 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.031 2.771 8.380 1.00 0.00 H new ATOM 769 N GLU A 49 7.057 5.335 5.267 1.00 0.00 N ATOM 770 CA GLU A 49 6.618 6.444 4.403 1.00 0.00 C ATOM 771 C GLU A 49 5.116 6.358 4.051 1.00 0.00 C ATOM 772 O GLU A 49 4.616 7.081 3.187 1.00 0.00 O ATOM 773 CB GLU A 49 7.526 6.489 3.153 1.00 0.00 C ATOM 774 CG GLU A 49 7.708 7.891 2.552 1.00 0.00 C ATOM 775 CD GLU A 49 8.586 8.795 3.441 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.835 8.689 3.373 1.00 0.00 O ATOM 777 OE2 GLU A 49 8.034 9.639 4.190 1.00 0.00 O ATOM 0 H GLU A 49 6.799 4.422 4.891 1.00 0.00 H new ATOM 0 HA GLU A 49 6.722 7.384 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.506 6.089 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.108 5.832 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.161 7.805 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.732 8.356 2.416 1.00 0.00 H new ATOM 784 N ILE A 50 4.389 5.451 4.712 1.00 0.00 N ATOM 785 CA ILE A 50 3.015 5.059 4.397 1.00 0.00 C ATOM 786 C ILE A 50 1.990 6.205 4.429 1.00 0.00 C ATOM 787 O ILE A 50 2.023 7.105 5.273 1.00 0.00 O ATOM 788 CB ILE A 50 2.603 3.899 5.330 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.453 3.044 4.774 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.255 4.353 6.757 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.903 2.213 3.567 1.00 0.00 C ATOM 0 H ILE A 50 4.761 4.948 5.518 1.00 0.00 H new ATOM 0 HA ILE A 50 3.008 4.734 3.356 1.00 0.00 H new ATOM 0 HB ILE A 50 3.498 3.279 5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.081 2.381 5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.625 3.691 4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.975 3.487 7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.121 4.840 7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.422 5.055 6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.065 1.621 3.200 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.251 2.878 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.714 1.548 3.865 1.00 0.00 H new ATOM 803 N VAL A 51 1.035 6.111 3.510 1.00 0.00 N ATOM 804 CA VAL A 51 -0.195 6.914 3.401 1.00 0.00 C ATOM 805 C VAL A 51 -1.422 5.991 3.437 1.00 0.00 C ATOM 806 O VAL A 51 -1.724 5.315 2.458 1.00 0.00 O ATOM 807 CB VAL A 51 -0.171 7.788 2.130 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.431 8.658 2.018 1.00 0.00 C ATOM 809 CG2 VAL A 51 1.042 8.729 2.098 1.00 0.00 C ATOM 0 H VAL A 51 1.098 5.421 2.761 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.256 7.593 4.252 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.118 7.088 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.378 9.260 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.313 8.018 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.498 9.315 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.017 9.324 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.012 9.391 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.959 8.141 2.122 1.00 0.00 H new ATOM 819 N GLU A 52 -2.129 5.915 4.565 1.00 0.00 N ATOM 820 CA GLU A 52 -3.344 5.093 4.705 1.00 0.00 C ATOM 821 C GLU A 52 -4.619 5.857 4.303 1.00 0.00 C ATOM 822 O GLU A 52 -4.921 6.925 4.846 1.00 0.00 O ATOM 823 CB GLU A 52 -3.412 4.526 6.135 1.00 0.00 C ATOM 824 CG GLU A 52 -4.631 3.619 6.363 1.00 0.00 C ATOM 825 CD GLU A 52 -4.602 3.010 7.779 1.00 0.00 C ATOM 826 OE1 GLU A 52 -5.077 3.666 8.738 1.00 0.00 O ATOM 827 OE2 GLU A 52 -4.107 1.870 7.944 1.00 0.00 O ATOM 0 H GLU A 52 -1.879 6.422 5.414 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.286 4.258 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.502 3.961 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.442 5.351 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.548 4.193 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.641 2.822 5.619 1.00 0.00 H new ATOM 834 N ILE A 53 -5.374 5.302 3.349 1.00 0.00 N ATOM 835 CA ILE A 53 -6.698 5.775 2.913 1.00 0.00 C ATOM 836 C ILE A 53 -7.779 5.149 3.824 1.00 0.00 C ATOM 837 O ILE A 53 -7.607 4.050 4.357 1.00 0.00 O ATOM 838 CB ILE A 53 -6.912 5.438 1.409 1.00 0.00 C ATOM 839 CG1 ILE A 53 -6.006 6.256 0.453 1.00 0.00 C ATOM 840 CG2 ILE A 53 -8.361 5.678 0.945 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.520 5.876 0.437 1.00 0.00 C ATOM 0 H ILE A 53 -5.068 4.475 2.836 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.770 6.859 3.006 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.655 4.380 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.396 6.154 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.087 7.309 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.451 5.426 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.038 5.052 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.621 6.726 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.988 6.515 -0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.100 6.007 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.414 4.835 0.133 1.00 0.00 H new ATOM 853 N VAL A 54 -8.911 5.835 4.016 1.00 0.00 N ATOM 854 CA VAL A 54 -10.044 5.336 4.822 1.00 0.00 C ATOM 855 C VAL A 54 -10.609 4.001 4.286 1.00 0.00 C ATOM 856 O VAL A 54 -10.846 3.877 3.080 1.00 0.00 O ATOM 857 CB VAL A 54 -11.169 6.386 4.958 1.00 0.00 C ATOM 858 CG1 VAL A 54 -10.707 7.544 5.852 1.00 0.00 C ATOM 859 CG2 VAL A 54 -11.662 6.973 3.627 1.00 0.00 C ATOM 0 H VAL A 54 -9.073 6.759 3.616 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.640 5.146 5.816 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.007 5.845 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.508 8.278 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.454 7.162 6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.829 8.017 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.451 7.700 3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.833 7.463 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.052 6.172 2.999 1.00 0.00 H new ATOM 869 N PRO A 55 -10.844 2.984 5.146 1.00 0.00 N ATOM 870 CA PRO A 55 -11.385 1.684 4.727 1.00 0.00 C ATOM 871 C PRO A 55 -12.908 1.688 4.472 1.00 0.00 C ATOM 872 O PRO A 55 -13.428 0.742 3.875 1.00 0.00 O ATOM 873 CB PRO A 55 -11.013 0.724 5.862 1.00 0.00 C ATOM 874 CG PRO A 55 -11.062 1.625 7.096 1.00 0.00 C ATOM 875 CD PRO A 55 -10.531 2.958 6.570 1.00 0.00 C ATOM 0 HA PRO A 55 -10.965 1.392 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.717 -0.105 5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.024 0.290 5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.075 1.720 7.486 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.444 1.235 7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.999 3.795 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.457 3.042 6.735 1.00 0.00 H new ATOM 883 N SER A 56 -13.622 2.739 4.898 1.00 0.00 N ATOM 884 CA SER A 56 -15.076 2.956 4.758 1.00 0.00 C ATOM 885 C SER A 56 -15.922 1.686 4.934 1.00 0.00 C ATOM 886 O SER A 56 -16.403 1.393 6.037 1.00 0.00 O ATOM 887 CB SER A 56 -15.390 3.614 3.409 1.00 0.00 C ATOM 888 OG SER A 56 -14.750 4.880 3.322 1.00 0.00 O ATOM 0 H SER A 56 -13.172 3.515 5.383 1.00 0.00 H new ATOM 0 HA SER A 56 -15.355 3.620 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.054 2.971 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 56 -16.467 3.734 3.296 1.00 0.00 H new ATOM 0 HG SER A 56 -14.955 5.291 2.457 1.00 0.00 H new TER 894 SER A 56