USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 421 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 1 MET N :NH3+ 180:sc= -2.47! (180deg=-0.529) USER MOD Set 1.2: A 4 ASN : amide:sc= -2.99! C(o=-5.5!,f=-12!) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.146 (180deg=-1.14) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -36:sc= 0.265 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.138) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= -0.682 (180deg=-0.692) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.595 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.965 -15.018 -17.424 1.00 0.00 N ATOM 2 CA MET A 1 -8.993 -15.265 -18.526 1.00 0.00 C ATOM 3 C MET A 1 -7.584 -15.365 -17.951 1.00 0.00 C ATOM 4 O MET A 1 -7.310 -16.210 -17.099 1.00 0.00 O ATOM 5 CB MET A 1 -9.074 -14.123 -19.532 1.00 0.00 C ATOM 6 CG MET A 1 -10.410 -14.174 -20.252 1.00 0.00 C ATOM 7 SD MET A 1 -10.566 -12.742 -21.351 1.00 0.00 S ATOM 8 CE MET A 1 -9.239 -13.180 -22.503 1.00 0.00 C ATOM 0 H1 MET A 1 -10.925 -14.950 -17.817 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.924 -15.803 -16.743 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.724 -14.128 -16.942 1.00 0.00 H new ATOM 0 HA MET A 1 -9.234 -16.201 -19.029 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.960 -13.166 -19.022 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.258 -14.200 -20.251 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.489 -15.096 -20.827 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.225 -14.179 -19.528 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.438 -12.729 -23.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.288 -12.811 -22.119 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.192 -14.264 -22.609 1.00 0.00 H new ATOM 20 N PHE A 2 -6.694 -14.496 -18.419 1.00 0.00 N ATOM 21 CA PHE A 2 -5.322 -14.492 -17.950 1.00 0.00 C ATOM 22 C PHE A 2 -5.221 -13.792 -16.605 1.00 0.00 C ATOM 23 O PHE A 2 -4.142 -13.690 -16.023 1.00 0.00 O ATOM 24 CB PHE A 2 -4.448 -13.777 -18.959 1.00 0.00 C ATOM 25 CG PHE A 2 -4.424 -14.559 -20.249 1.00 0.00 C ATOM 26 CD1 PHE A 2 -5.385 -14.312 -21.238 1.00 0.00 C ATOM 27 CD2 PHE A 2 -3.439 -15.530 -20.458 1.00 0.00 C ATOM 28 CE1 PHE A 2 -5.358 -15.035 -22.436 1.00 0.00 C ATOM 29 CE2 PHE A 2 -3.412 -16.254 -21.655 1.00 0.00 C ATOM 30 CZ PHE A 2 -4.372 -16.007 -22.645 1.00 0.00 C ATOM 0 H PHE A 2 -6.903 -13.787 -19.122 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.987 -15.523 -17.834 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.829 -12.772 -19.138 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.436 -13.669 -18.568 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -6.147 -13.564 -21.076 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -2.699 -15.721 -19.695 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.098 -14.843 -23.199 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -2.651 -17.003 -21.816 1.00 0.00 H new ATOM 0 HZ PHE A 2 -4.352 -16.566 -23.569 1.00 0.00 H new ATOM 40 N SER A 3 -6.357 -13.298 -16.118 1.00 0.00 N ATOM 41 CA SER A 3 -6.398 -12.600 -14.834 1.00 0.00 C ATOM 42 C SER A 3 -6.973 -13.513 -13.753 1.00 0.00 C ATOM 43 O SER A 3 -6.712 -13.324 -12.564 1.00 0.00 O ATOM 44 CB SER A 3 -7.239 -11.331 -14.968 1.00 0.00 C ATOM 45 OG SER A 3 -6.406 -10.265 -15.403 1.00 0.00 O ATOM 0 H SER A 3 -7.258 -13.367 -16.590 1.00 0.00 H new ATOM 0 HA SER A 3 -5.385 -12.324 -14.543 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.049 -11.490 -15.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.699 -11.082 -14.012 1.00 0.00 H new ATOM 0 HG SER A 3 -6.940 -9.448 -15.493 1.00 0.00 H new ATOM 51 N ASN A 4 -7.756 -14.501 -14.175 1.00 0.00 N ATOM 52 CA ASN A 4 -8.361 -15.436 -13.234 1.00 0.00 C ATOM 53 C ASN A 4 -7.329 -16.427 -12.715 1.00 0.00 C ATOM 54 O ASN A 4 -7.560 -17.121 -11.726 1.00 0.00 O ATOM 55 CB ASN A 4 -9.508 -16.187 -13.903 1.00 0.00 C ATOM 56 CG ASN A 4 -10.529 -15.196 -14.447 1.00 0.00 C ATOM 57 OD1 ASN A 4 -11.225 -15.488 -15.418 1.00 0.00 O ATOM 58 ND2 ASN A 4 -10.660 -14.034 -13.871 1.00 0.00 N ATOM 0 H ASN A 4 -7.985 -14.674 -15.154 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.749 -14.866 -12.390 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.124 -16.808 -14.712 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.984 -16.856 -13.186 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.342 -13.363 -14.225 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.081 -13.796 -13.066 1.00 0.00 H new ATOM 65 N ILE A 5 -6.190 -16.489 -13.392 1.00 0.00 N ATOM 66 CA ILE A 5 -5.130 -17.398 -12.995 1.00 0.00 C ATOM 67 C ILE A 5 -4.563 -17.017 -11.639 1.00 0.00 C ATOM 68 O ILE A 5 -4.331 -17.878 -10.799 1.00 0.00 O ATOM 69 CB ILE A 5 -4.015 -17.381 -14.038 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.516 -15.942 -14.229 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.546 -17.927 -15.362 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.619 -15.848 -15.471 1.00 0.00 C ATOM 0 H ILE A 5 -5.980 -15.923 -14.214 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.552 -18.401 -12.923 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.188 -18.006 -13.700 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.365 -15.267 -14.334 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.961 -15.622 -13.347 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.750 -17.915 -16.106 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.894 -18.950 -15.220 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.374 -17.306 -15.706 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.273 -14.822 -15.593 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.760 -16.508 -15.350 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.186 -16.147 -16.353 1.00 0.00 H new ATOM 84 N GLY A 6 -4.333 -15.726 -11.439 1.00 0.00 N ATOM 85 CA GLY A 6 -3.774 -15.243 -10.178 1.00 0.00 C ATOM 86 C GLY A 6 -2.312 -15.665 -10.045 1.00 0.00 C ATOM 87 O GLY A 6 -1.546 -15.580 -11.004 1.00 0.00 O ATOM 0 H GLY A 6 -4.522 -14.997 -12.127 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.851 -14.157 -10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.351 -15.639 -9.342 1.00 0.00 H new ATOM 91 N ILE A 7 -1.936 -16.130 -8.858 1.00 0.00 N ATOM 92 CA ILE A 7 -0.569 -16.578 -8.622 1.00 0.00 C ATOM 93 C ILE A 7 -0.298 -17.898 -9.352 1.00 0.00 C ATOM 94 O ILE A 7 0.742 -18.041 -9.994 1.00 0.00 O ATOM 95 CB ILE A 7 -0.313 -16.687 -7.095 1.00 0.00 C ATOM 96 CG1 ILE A 7 0.399 -15.414 -6.594 1.00 0.00 C ATOM 97 CG2 ILE A 7 0.565 -17.902 -6.757 1.00 0.00 C ATOM 98 CD1 ILE A 7 -0.312 -14.151 -7.112 1.00 0.00 C ATOM 0 H ILE A 7 -2.554 -16.206 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 7 0.130 -15.846 -9.027 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.280 -16.804 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.416 -15.406 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.436 -15.416 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.724 -17.948 -5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.068 -18.814 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.526 -17.808 -7.262 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.207 -13.265 -6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.306 -14.151 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.342 -14.141 -6.755 1.00 0.00 H new ATOM 110 N PRO A 8 -1.188 -18.854 -9.289 1.00 0.00 N ATOM 111 CA PRO A 8 -0.988 -20.148 -9.994 1.00 0.00 C ATOM 112 C PRO A 8 -0.404 -19.933 -11.387 1.00 0.00 C ATOM 113 O PRO A 8 0.327 -20.776 -11.905 1.00 0.00 O ATOM 114 CB PRO A 8 -2.395 -20.738 -10.052 1.00 0.00 C ATOM 115 CG PRO A 8 -3.094 -20.198 -8.844 1.00 0.00 C ATOM 116 CD PRO A 8 -2.462 -18.830 -8.542 1.00 0.00 C ATOM 0 HA PRO A 8 -0.279 -20.806 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.908 -20.445 -10.968 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.367 -21.828 -10.037 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.164 -20.098 -9.028 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.979 -20.873 -7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.103 -18.012 -8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.296 -18.694 -7.473 1.00 0.00 H new ATOM 124 N GLY A 9 -0.726 -18.790 -11.981 1.00 0.00 N ATOM 125 CA GLY A 9 -0.217 -18.460 -13.308 1.00 0.00 C ATOM 126 C GLY A 9 1.158 -17.808 -13.214 1.00 0.00 C ATOM 127 O GLY A 9 1.975 -17.934 -14.125 1.00 0.00 O ATOM 0 H GLY A 9 -1.332 -18.081 -11.569 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.155 -19.364 -13.914 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.910 -17.786 -13.811 1.00 0.00 H new ATOM 131 N LEU A 10 1.411 -17.111 -12.106 1.00 0.00 N ATOM 132 CA LEU A 10 2.690 -16.445 -11.916 1.00 0.00 C ATOM 133 C LEU A 10 3.830 -17.460 -11.918 1.00 0.00 C ATOM 134 O LEU A 10 4.882 -17.220 -12.503 1.00 0.00 O ATOM 135 CB LEU A 10 2.672 -15.669 -10.599 1.00 0.00 C ATOM 136 CG LEU A 10 3.813 -14.634 -10.557 1.00 0.00 C ATOM 137 CD1 LEU A 10 3.544 -13.642 -9.417 1.00 0.00 C ATOM 138 CD2 LEU A 10 5.182 -15.326 -10.349 1.00 0.00 C ATOM 0 H LEU A 10 0.752 -16.996 -11.336 1.00 0.00 H new ATOM 0 HA LEU A 10 2.853 -15.750 -12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.713 -15.164 -10.482 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.772 -16.361 -9.763 1.00 0.00 H new ATOM 0 HG LEU A 10 3.848 -14.105 -11.509 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.346 -12.905 -9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.594 -13.136 -9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.500 -14.180 -8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.970 -14.573 -10.323 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.173 -15.875 -9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.368 -16.018 -11.170 1.00 0.00 H new ATOM 150 N ILE A 11 3.612 -18.597 -11.268 1.00 0.00 N ATOM 151 CA ILE A 11 4.633 -19.637 -11.198 1.00 0.00 C ATOM 152 C ILE A 11 4.993 -20.138 -12.591 1.00 0.00 C ATOM 153 O ILE A 11 6.164 -20.299 -12.899 1.00 0.00 O ATOM 154 CB ILE A 11 4.126 -20.801 -10.318 1.00 0.00 C ATOM 155 CG1 ILE A 11 4.288 -20.437 -8.835 1.00 0.00 C ATOM 156 CG2 ILE A 11 4.919 -22.082 -10.610 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.674 -19.063 -8.568 1.00 0.00 C ATOM 0 H ILE A 11 2.743 -18.822 -10.784 1.00 0.00 H new ATOM 0 HA ILE A 11 5.534 -19.216 -10.751 1.00 0.00 H new ATOM 0 HB ILE A 11 3.074 -20.973 -10.546 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.804 -21.189 -8.212 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.344 -20.432 -8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.548 -22.891 -9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.799 -22.353 -11.659 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.975 -21.913 -10.398 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.792 -18.810 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.178 -18.314 -9.179 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.614 -19.083 -8.820 1.00 0.00 H new ATOM 169 N LEU A 12 3.997 -20.373 -13.428 1.00 0.00 N ATOM 170 CA LEU A 12 4.254 -20.866 -14.769 1.00 0.00 C ATOM 171 C LEU A 12 5.160 -19.897 -15.509 1.00 0.00 C ATOM 172 O LEU A 12 6.149 -20.308 -16.103 1.00 0.00 O ATOM 173 CB LEU A 12 2.927 -21.001 -15.507 1.00 0.00 C ATOM 174 CG LEU A 12 3.138 -21.617 -16.894 1.00 0.00 C ATOM 175 CD1 LEU A 12 3.664 -23.058 -16.766 1.00 0.00 C ATOM 176 CD2 LEU A 12 1.797 -21.616 -17.638 1.00 0.00 C ATOM 0 H LEU A 12 3.012 -20.232 -13.205 1.00 0.00 H new ATOM 0 HA LEU A 12 4.747 -21.837 -14.717 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.245 -21.623 -14.928 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.459 -20.022 -15.606 1.00 0.00 H new ATOM 0 HG LEU A 12 3.873 -21.032 -17.446 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.809 -23.482 -17.760 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.614 -23.052 -16.232 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.942 -23.661 -16.216 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.930 -22.052 -18.628 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.070 -22.203 -17.078 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.437 -20.592 -17.738 1.00 0.00 H new ATOM 188 N ILE A 13 4.839 -18.613 -15.433 1.00 0.00 N ATOM 189 CA ILE A 13 5.657 -17.586 -16.069 1.00 0.00 C ATOM 190 C ILE A 13 7.026 -17.533 -15.419 1.00 0.00 C ATOM 191 O ILE A 13 8.043 -17.360 -16.092 1.00 0.00 O ATOM 192 CB ILE A 13 4.972 -16.204 -15.968 1.00 0.00 C ATOM 193 CG1 ILE A 13 3.887 -16.062 -17.059 1.00 0.00 C ATOM 194 CG2 ILE A 13 6.015 -15.084 -16.127 1.00 0.00 C ATOM 195 CD1 ILE A 13 2.599 -16.766 -16.625 1.00 0.00 C ATOM 0 H ILE A 13 4.021 -18.257 -14.939 1.00 0.00 H new ATOM 0 HA ILE A 13 5.771 -17.841 -17.123 1.00 0.00 H new ATOM 0 HB ILE A 13 4.503 -16.121 -14.988 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.687 -15.007 -17.247 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.245 -16.490 -17.995 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.522 -14.115 -16.054 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.764 -15.170 -15.340 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.499 -15.173 -17.100 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.844 -16.657 -17.404 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.801 -17.825 -16.461 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.233 -16.319 -15.701 1.00 0.00 H new ATOM 207 N PHE A 14 7.041 -17.635 -14.108 1.00 0.00 N ATOM 208 CA PHE A 14 8.282 -17.545 -13.379 1.00 0.00 C ATOM 209 C PHE A 14 9.258 -18.603 -13.873 1.00 0.00 C ATOM 210 O PHE A 14 10.443 -18.330 -14.064 1.00 0.00 O ATOM 211 CB PHE A 14 7.996 -17.719 -11.888 1.00 0.00 C ATOM 212 CG PHE A 14 9.069 -17.049 -11.058 1.00 0.00 C ATOM 213 CD1 PHE A 14 9.252 -15.662 -11.147 1.00 0.00 C ATOM 214 CD2 PHE A 14 9.882 -17.808 -10.210 1.00 0.00 C ATOM 215 CE1 PHE A 14 10.250 -15.037 -10.392 1.00 0.00 C ATOM 216 CE2 PHE A 14 10.877 -17.180 -9.452 1.00 0.00 C ATOM 217 CZ PHE A 14 11.063 -15.796 -9.544 1.00 0.00 C ATOM 0 H PHE A 14 6.213 -17.779 -13.530 1.00 0.00 H new ATOM 0 HA PHE A 14 8.737 -16.568 -13.542 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.023 -17.292 -11.647 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.948 -18.780 -11.643 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.622 -15.075 -11.799 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.742 -18.877 -10.140 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.393 -13.969 -10.464 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.503 -17.765 -8.794 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.834 -15.314 -8.961 1.00 0.00 H new ATOM 227 N VAL A 15 8.744 -19.800 -14.087 1.00 0.00 N ATOM 228 CA VAL A 15 9.559 -20.907 -14.562 1.00 0.00 C ATOM 229 C VAL A 15 10.233 -20.537 -15.876 1.00 0.00 C ATOM 230 O VAL A 15 11.413 -20.821 -16.085 1.00 0.00 O ATOM 231 CB VAL A 15 8.679 -22.143 -14.764 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.578 -23.362 -15.011 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.789 -22.372 -13.514 1.00 0.00 C ATOM 0 H VAL A 15 7.762 -20.033 -13.939 1.00 0.00 H new ATOM 0 HA VAL A 15 10.327 -21.125 -13.820 1.00 0.00 H new ATOM 0 HB VAL A 15 8.028 -21.994 -15.625 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.959 -24.247 -15.156 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.184 -23.193 -15.901 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.231 -23.513 -14.151 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.166 -23.254 -13.667 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.422 -22.522 -12.639 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.153 -21.501 -13.356 1.00 0.00 H new ATOM 243 N ILE A 16 9.476 -19.896 -16.751 1.00 0.00 N ATOM 244 CA ILE A 16 10.010 -19.479 -18.049 1.00 0.00 C ATOM 245 C ILE A 16 11.289 -18.697 -17.847 1.00 0.00 C ATOM 246 O ILE A 16 12.185 -18.717 -18.688 1.00 0.00 O ATOM 247 CB ILE A 16 9.002 -18.615 -18.796 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.655 -19.331 -18.827 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.493 -18.356 -20.220 1.00 0.00 C ATOM 250 CD1 ILE A 16 7.792 -20.735 -19.433 1.00 0.00 C ATOM 0 H ILE A 16 8.498 -19.652 -16.594 1.00 0.00 H new ATOM 0 HA ILE A 16 10.212 -20.372 -18.641 1.00 0.00 H new ATOM 0 HB ILE A 16 8.891 -17.658 -18.286 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.255 -19.405 -17.816 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.942 -18.747 -19.410 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.767 -17.738 -20.748 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.453 -17.840 -20.186 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.610 -19.305 -20.743 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.818 -21.224 -19.443 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.169 -20.656 -20.453 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.487 -21.324 -18.834 1.00 0.00 H new ATOM 262 N ALA A 17 11.360 -18.007 -16.726 1.00 0.00 N ATOM 263 CA ALA A 17 12.538 -17.219 -16.389 1.00 0.00 C ATOM 264 C ALA A 17 13.618 -18.124 -15.780 1.00 0.00 C ATOM 265 O ALA A 17 14.804 -17.934 -16.004 1.00 0.00 O ATOM 266 CB ALA A 17 12.139 -16.111 -15.396 1.00 0.00 C ATOM 0 H ALA A 17 10.616 -17.973 -16.029 1.00 0.00 H new ATOM 0 HA ALA A 17 12.943 -16.761 -17.291 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.017 -15.518 -15.140 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.387 -15.467 -15.852 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.730 -16.563 -14.492 1.00 0.00 H new ATOM 272 N LEU A 18 13.191 -19.102 -15.000 1.00 0.00 N ATOM 273 CA LEU A 18 14.119 -20.013 -14.346 1.00 0.00 C ATOM 274 C LEU A 18 14.884 -20.858 -15.345 1.00 0.00 C ATOM 275 O LEU A 18 16.083 -21.090 -15.183 1.00 0.00 O ATOM 276 CB LEU A 18 13.346 -20.924 -13.394 1.00 0.00 C ATOM 277 CG LEU A 18 12.622 -20.124 -12.295 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.255 -21.066 -11.163 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.509 -19.017 -11.745 1.00 0.00 C ATOM 0 H LEU A 18 12.207 -19.287 -14.803 1.00 0.00 H new ATOM 0 HA LEU A 18 14.844 -19.414 -13.795 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.618 -21.506 -13.959 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.033 -21.634 -12.933 1.00 0.00 H new ATOM 0 HG LEU A 18 11.730 -19.671 -12.728 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.742 -20.510 -10.379 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.599 -21.850 -11.541 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.161 -21.515 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.970 -18.470 -10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.413 -19.453 -11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.780 -18.334 -12.550 1.00 0.00 H new ATOM 291 N ILE A 19 14.198 -21.328 -16.365 1.00 0.00 N ATOM 292 CA ILE A 19 14.847 -22.156 -17.360 1.00 0.00 C ATOM 293 C ILE A 19 15.991 -21.382 -18.008 1.00 0.00 C ATOM 294 O ILE A 19 17.082 -21.917 -18.203 1.00 0.00 O ATOM 295 CB ILE A 19 13.817 -22.607 -18.404 1.00 0.00 C ATOM 296 CG1 ILE A 19 14.500 -23.341 -19.559 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.068 -21.399 -18.944 1.00 0.00 C ATOM 298 CD1 ILE A 19 15.326 -24.506 -19.015 1.00 0.00 C ATOM 0 H ILE A 19 13.206 -21.155 -16.527 1.00 0.00 H new ATOM 0 HA ILE A 19 15.265 -23.044 -16.887 1.00 0.00 H new ATOM 0 HB ILE A 19 13.116 -23.289 -17.922 1.00 0.00 H new ATOM 0 HG12 ILE A 19 13.752 -23.710 -20.261 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.142 -22.654 -20.110 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.338 -21.725 -19.685 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.554 -20.894 -18.126 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.774 -20.711 -19.409 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.811 -25.026 -19.842 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.085 -24.126 -18.331 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.673 -25.198 -18.484 1.00 0.00 H new ATOM 310 N ILE A 20 15.741 -20.115 -18.314 1.00 0.00 N ATOM 311 CA ILE A 20 16.763 -19.260 -18.912 1.00 0.00 C ATOM 312 C ILE A 20 17.714 -18.716 -17.844 1.00 0.00 C ATOM 313 O ILE A 20 18.916 -18.595 -18.084 1.00 0.00 O ATOM 314 CB ILE A 20 16.111 -18.111 -19.680 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.210 -17.167 -20.246 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.139 -17.375 -18.763 1.00 0.00 C ATOM 317 CD1 ILE A 20 17.329 -15.883 -19.418 1.00 0.00 C ATOM 0 H ILE A 20 14.843 -19.656 -18.159 1.00 0.00 H new ATOM 0 HA ILE A 20 17.345 -19.862 -19.610 1.00 0.00 H new ATOM 0 HB ILE A 20 15.543 -18.497 -20.527 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.168 -17.686 -20.254 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.976 -16.914 -21.280 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.673 -16.555 -19.310 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.369 -18.066 -18.419 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.679 -16.978 -17.904 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.106 -15.247 -19.842 1.00 0.00 H new ATOM 0 HD12 ILE A 20 16.378 -15.351 -19.432 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.588 -16.136 -18.390 1.00 0.00 H new ATOM 329 N PHE A 21 17.177 -18.388 -16.658 1.00 0.00 N ATOM 330 CA PHE A 21 18.006 -17.860 -15.569 1.00 0.00 C ATOM 331 C PHE A 21 18.429 -18.980 -14.621 1.00 0.00 C ATOM 332 O PHE A 21 19.578 -19.420 -14.655 1.00 0.00 O ATOM 333 CB PHE A 21 17.267 -16.762 -14.792 1.00 0.00 C ATOM 334 CG PHE A 21 17.044 -15.567 -15.700 1.00 0.00 C ATOM 335 CD1 PHE A 21 18.139 -14.860 -16.221 1.00 0.00 C ATOM 336 CD2 PHE A 21 15.741 -15.171 -16.033 1.00 0.00 C ATOM 337 CE1 PHE A 21 17.927 -13.767 -17.073 1.00 0.00 C ATOM 338 CE2 PHE A 21 15.533 -14.079 -16.881 1.00 0.00 C ATOM 339 CZ PHE A 21 16.625 -13.379 -17.403 1.00 0.00 C ATOM 0 H PHE A 21 16.186 -18.478 -16.433 1.00 0.00 H new ATOM 0 HA PHE A 21 18.899 -17.422 -16.015 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.312 -17.139 -14.427 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.847 -16.466 -13.918 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.145 -15.158 -15.965 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.895 -15.711 -15.633 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.770 -13.224 -17.475 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.528 -13.776 -17.133 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.463 -12.538 -18.061 1.00 0.00 H new ATOM 349 N GLY A 22 17.504 -19.455 -13.778 1.00 0.00 N ATOM 350 CA GLY A 22 17.810 -20.534 -12.840 1.00 0.00 C ATOM 351 C GLY A 22 17.434 -20.136 -11.410 1.00 0.00 C ATOM 352 O GLY A 22 17.632 -18.987 -11.014 1.00 0.00 O ATOM 0 H GLY A 22 16.545 -19.110 -13.728 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.267 -21.435 -13.126 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.872 -20.773 -12.888 1.00 0.00 H new ATOM 356 N PRO A 23 16.897 -21.044 -10.626 1.00 0.00 N ATOM 357 CA PRO A 23 16.497 -20.747 -9.219 1.00 0.00 C ATOM 358 C PRO A 23 17.706 -20.544 -8.313 1.00 0.00 C ATOM 359 O PRO A 23 17.587 -19.984 -7.225 1.00 0.00 O ATOM 360 CB PRO A 23 15.679 -21.977 -8.809 1.00 0.00 C ATOM 361 CG PRO A 23 16.223 -23.080 -9.648 1.00 0.00 C ATOM 362 CD PRO A 23 16.616 -22.448 -10.978 1.00 0.00 C ATOM 0 HA PRO A 23 15.933 -19.818 -9.133 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.792 -22.193 -7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.615 -21.826 -8.992 1.00 0.00 H new ATOM 0 HG2 PRO A 23 17.084 -23.545 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.478 -23.862 -9.794 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.490 -22.935 -11.411 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.813 -22.524 -11.711 1.00 0.00 H new ATOM 370 N SER A 24 18.871 -21.006 -8.765 1.00 0.00 N ATOM 371 CA SER A 24 20.101 -20.868 -7.984 1.00 0.00 C ATOM 372 C SER A 24 20.848 -19.594 -8.363 1.00 0.00 C ATOM 373 O SER A 24 21.831 -19.226 -7.720 1.00 0.00 O ATOM 374 CB SER A 24 21.004 -22.081 -8.209 1.00 0.00 C ATOM 375 OG SER A 24 22.075 -22.045 -7.275 1.00 0.00 O ATOM 0 H SER A 24 18.990 -21.476 -9.662 1.00 0.00 H new ATOM 0 HA SER A 24 19.829 -20.809 -6.930 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.433 -23.002 -8.090 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.393 -22.076 -9.227 1.00 0.00 H new ATOM 0 HG SER A 24 22.353 -21.116 -7.132 1.00 0.00 H new ATOM 381 N LYS A 25 20.380 -18.923 -9.415 1.00 0.00 N ATOM 382 CA LYS A 25 21.001 -17.693 -9.877 1.00 0.00 C ATOM 383 C LYS A 25 20.289 -16.464 -9.308 1.00 0.00 C ATOM 384 O LYS A 25 20.916 -15.436 -9.053 1.00 0.00 O ATOM 385 CB LYS A 25 20.957 -17.660 -11.405 1.00 0.00 C ATOM 386 CG LYS A 25 22.023 -16.696 -11.931 1.00 0.00 C ATOM 387 CD LYS A 25 23.411 -17.387 -11.967 1.00 0.00 C ATOM 388 CE LYS A 25 24.490 -16.405 -11.515 1.00 0.00 C ATOM 389 NZ LYS A 25 24.530 -15.243 -12.447 1.00 0.00 N ATOM 0 H LYS A 25 19.570 -19.216 -9.961 1.00 0.00 H new ATOM 0 HA LYS A 25 22.034 -17.669 -9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 25 21.128 -18.659 -11.805 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.970 -17.345 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.753 -16.357 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 25 22.067 -15.811 -11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.408 -18.263 -11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.626 -17.739 -12.976 1.00 0.00 H new ATOM 0 HE2 LYS A 25 24.283 -16.064 -10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 25 25.461 -16.900 -11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 25.403 -14.700 -12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.509 -15.585 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.706 -14.632 -12.275 1.00 0.00 H new ATOM 403 N LEU A 26 18.975 -16.574 -9.125 1.00 0.00 N ATOM 404 CA LEU A 26 18.194 -15.459 -8.599 1.00 0.00 C ATOM 405 C LEU A 26 18.614 -15.146 -7.153 1.00 0.00 C ATOM 406 O LEU A 26 18.869 -13.990 -6.814 1.00 0.00 O ATOM 407 CB LEU A 26 16.677 -15.788 -8.688 1.00 0.00 C ATOM 408 CG LEU A 26 15.937 -14.783 -9.572 1.00 0.00 C ATOM 409 CD1 LEU A 26 16.249 -15.067 -11.040 1.00 0.00 C ATOM 410 CD2 LEU A 26 14.430 -14.916 -9.343 1.00 0.00 C ATOM 0 H LEU A 26 18.434 -17.414 -9.331 1.00 0.00 H new ATOM 0 HA LEU A 26 18.387 -14.571 -9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.544 -16.793 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.243 -15.783 -7.688 1.00 0.00 H new ATOM 0 HG LEU A 26 16.259 -13.773 -9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.721 -14.350 -11.669 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.322 -14.976 -11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.927 -16.077 -11.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.902 -14.200 -9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.111 -15.927 -9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.202 -14.716 -8.296 1.00 0.00 H new ATOM 422 N PRO A 27 18.698 -16.147 -6.310 1.00 0.00 N ATOM 423 CA PRO A 27 19.108 -15.968 -4.882 1.00 0.00 C ATOM 424 C PRO A 27 20.475 -15.287 -4.767 1.00 0.00 C ATOM 425 O PRO A 27 20.707 -14.471 -3.875 1.00 0.00 O ATOM 426 CB PRO A 27 19.153 -17.400 -4.325 1.00 0.00 C ATOM 427 CG PRO A 27 18.305 -18.213 -5.247 1.00 0.00 C ATOM 428 CD PRO A 27 18.416 -17.553 -6.620 1.00 0.00 C ATOM 0 HA PRO A 27 18.420 -15.324 -4.333 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.175 -17.778 -4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 27 18.770 -17.437 -3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.649 -19.247 -5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.269 -18.233 -4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.213 -17.999 -7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.494 -17.660 -7.191 1.00 0.00 H new ATOM 436 N GLU A 28 21.373 -15.642 -5.681 1.00 0.00 N ATOM 437 CA GLU A 28 22.717 -15.076 -5.690 1.00 0.00 C ATOM 438 C GLU A 28 22.672 -13.576 -5.936 1.00 0.00 C ATOM 439 O GLU A 28 23.401 -12.811 -5.302 1.00 0.00 O ATOM 440 CB GLU A 28 23.554 -15.767 -6.769 1.00 0.00 C ATOM 441 CG GLU A 28 24.943 -15.140 -6.806 1.00 0.00 C ATOM 442 CD GLU A 28 25.844 -15.895 -7.775 1.00 0.00 C ATOM 443 OE1 GLU A 28 25.328 -16.705 -8.526 1.00 0.00 O ATOM 444 OE2 GLU A 28 27.040 -15.655 -7.748 1.00 0.00 O ATOM 0 H GLU A 28 21.194 -16.318 -6.424 1.00 0.00 H new ATOM 0 HA GLU A 28 23.175 -15.242 -4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.629 -16.834 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.071 -15.666 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 28 24.869 -14.095 -7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.381 -15.153 -5.808 1.00 0.00 H new ATOM 451 N ILE A 29 21.824 -13.162 -6.859 1.00 0.00 N ATOM 452 CA ILE A 29 21.698 -11.748 -7.186 1.00 0.00 C ATOM 453 C ILE A 29 21.152 -10.975 -5.992 1.00 0.00 C ATOM 454 O ILE A 29 21.629 -9.885 -5.675 1.00 0.00 O ATOM 455 CB ILE A 29 20.755 -11.574 -8.374 1.00 0.00 C ATOM 456 CG1 ILE A 29 21.395 -12.183 -9.615 1.00 0.00 C ATOM 457 CG2 ILE A 29 20.501 -10.084 -8.617 1.00 0.00 C ATOM 458 CD1 ILE A 29 20.359 -12.268 -10.735 1.00 0.00 C ATOM 0 H ILE A 29 21.214 -13.779 -7.395 1.00 0.00 H new ATOM 0 HA ILE A 29 22.684 -11.361 -7.441 1.00 0.00 H new ATOM 0 HB ILE A 29 19.809 -12.073 -8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 29 22.242 -11.577 -9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 29 21.782 -13.176 -9.387 1.00 0.00 H new ATOM 0 HG21 ILE A 29 19.828 -9.963 -9.466 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.049 -9.642 -7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.446 -9.584 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 29 20.818 -12.704 -11.623 1.00 0.00 H new ATOM 0 HD12 ILE A 29 19.526 -12.893 -10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 29 19.994 -11.268 -10.969 1.00 0.00 H new ATOM 470 N GLY A 30 20.143 -11.543 -5.340 1.00 0.00 N ATOM 471 CA GLY A 30 19.533 -10.892 -4.189 1.00 0.00 C ATOM 472 C GLY A 30 20.559 -10.684 -3.082 1.00 0.00 C ATOM 473 O GLY A 30 20.615 -9.620 -2.468 1.00 0.00 O ATOM 0 H GLY A 30 19.734 -12.444 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.114 -9.931 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.707 -11.499 -3.817 1.00 0.00 H new ATOM 477 N ARG A 31 21.366 -11.707 -2.834 1.00 0.00 N ATOM 478 CA ARG A 31 22.387 -11.630 -1.802 1.00 0.00 C ATOM 479 C ARG A 31 23.433 -10.599 -2.166 1.00 0.00 C ATOM 480 O ARG A 31 23.845 -9.791 -1.340 1.00 0.00 O ATOM 481 CB ARG A 31 23.078 -12.973 -1.702 1.00 0.00 C ATOM 482 CG ARG A 31 22.103 -14.026 -1.182 1.00 0.00 C ATOM 483 CD ARG A 31 22.625 -15.400 -1.544 1.00 0.00 C ATOM 484 NE ARG A 31 22.002 -16.422 -0.714 1.00 0.00 N ATOM 485 CZ ARG A 31 22.355 -16.582 0.555 1.00 0.00 C ATOM 486 NH1 ARG A 31 23.287 -15.831 1.074 1.00 0.00 N ATOM 487 NH2 ARG A 31 21.770 -17.494 1.283 1.00 0.00 N ATOM 0 H ARG A 31 21.333 -12.596 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 31 21.913 -11.354 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.458 -13.269 -2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.937 -12.900 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 31 21.994 -13.937 -0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 31 21.115 -13.872 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.424 -15.606 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 31 23.707 -15.429 -1.415 1.00 0.00 H new ATOM 0 HE ARG A 31 21.283 -17.024 -1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 31 23.745 -15.120 0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 31 23.557 -15.955 2.050 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.043 -18.082 0.876 1.00 0.00 H new ATOM 0 HH22 ARG A 31 22.040 -17.618 2.259 1.00 0.00 H new ATOM 501 N ALA A 32 23.869 -10.648 -3.413 1.00 0.00 N ATOM 502 CA ALA A 32 24.884 -9.721 -3.875 1.00 0.00 C ATOM 503 C ALA A 32 24.352 -8.295 -3.786 1.00 0.00 C ATOM 504 O ALA A 32 25.061 -7.377 -3.375 1.00 0.00 O ATOM 505 CB ALA A 32 25.273 -10.045 -5.320 1.00 0.00 C ATOM 0 H ALA A 32 23.540 -11.311 -4.115 1.00 0.00 H new ATOM 0 HA ALA A 32 25.768 -9.815 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 32 26.036 -9.343 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 32 25.666 -11.060 -5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.395 -9.962 -5.960 1.00 0.00 H new ATOM 511 N ALA A 33 23.089 -8.132 -4.154 1.00 0.00 N ATOM 512 CA ALA A 33 22.436 -6.829 -4.096 1.00 0.00 C ATOM 513 C ALA A 33 22.081 -6.488 -2.658 1.00 0.00 C ATOM 514 O ALA A 33 21.962 -5.321 -2.294 1.00 0.00 O ATOM 515 CB ALA A 33 21.151 -6.847 -4.931 1.00 0.00 C ATOM 0 H ALA A 33 22.494 -8.886 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 33 23.122 -6.081 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.671 -5.870 -4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.394 -7.079 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.473 -7.605 -4.539 1.00 0.00 H new ATOM 521 N GLY A 34 21.863 -7.521 -1.860 1.00 0.00 N ATOM 522 CA GLY A 34 21.464 -7.328 -0.483 1.00 0.00 C ATOM 523 C GLY A 34 22.443 -6.428 0.258 1.00 0.00 C ATOM 524 O GLY A 34 22.050 -5.433 0.859 1.00 0.00 O ATOM 0 H GLY A 34 21.956 -8.496 -2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.467 -6.889 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.404 -8.294 0.019 1.00 0.00 H new ATOM 528 N ARG A 35 23.718 -6.784 0.203 1.00 0.00 N ATOM 529 CA ARG A 35 24.753 -6.014 0.868 1.00 0.00 C ATOM 530 C ARG A 35 24.860 -4.617 0.282 1.00 0.00 C ATOM 531 O ARG A 35 24.975 -3.642 1.015 1.00 0.00 O ATOM 532 CB ARG A 35 26.084 -6.751 0.709 1.00 0.00 C ATOM 533 CG ARG A 35 26.163 -7.868 1.738 1.00 0.00 C ATOM 534 CD ARG A 35 24.927 -8.765 1.662 1.00 0.00 C ATOM 535 NE ARG A 35 25.192 -10.045 2.315 1.00 0.00 N ATOM 536 CZ ARG A 35 25.024 -10.199 3.624 1.00 0.00 C ATOM 537 NH1 ARG A 35 24.624 -9.194 4.355 1.00 0.00 N ATOM 538 NH2 ARG A 35 25.261 -11.356 4.179 1.00 0.00 N ATOM 0 H ARG A 35 24.059 -7.605 -0.298 1.00 0.00 H new ATOM 0 HA ARG A 35 24.500 -5.911 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 35 26.168 -7.161 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 35 26.915 -6.058 0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 35 27.060 -8.463 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 35 26.248 -7.442 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 35 24.081 -8.272 2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 35 24.652 -8.930 0.620 1.00 0.00 H new ATOM 0 HE ARG A 35 25.512 -10.835 1.755 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.440 -8.289 3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 35 24.495 -9.314 5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.575 -12.141 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.132 -11.476 5.184 1.00 0.00 H new ATOM 552 N THR A 36 24.809 -4.535 -1.035 1.00 0.00 N ATOM 553 CA THR A 36 24.890 -3.255 -1.719 1.00 0.00 C ATOM 554 C THR A 36 23.681 -2.400 -1.363 1.00 0.00 C ATOM 555 O THR A 36 23.793 -1.201 -1.121 1.00 0.00 O ATOM 556 CB THR A 36 24.956 -3.500 -3.235 1.00 0.00 C ATOM 557 OG1 THR A 36 26.268 -3.915 -3.590 1.00 0.00 O ATOM 558 CG2 THR A 36 24.592 -2.227 -4.003 1.00 0.00 C ATOM 0 H THR A 36 24.712 -5.340 -1.654 1.00 0.00 H new ATOM 0 HA THR A 36 25.788 -2.722 -1.405 1.00 0.00 H new ATOM 0 HB THR A 36 24.240 -4.279 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 36 26.311 -4.073 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 36 24.645 -2.421 -5.074 1.00 0.00 H new ATOM 0 HG22 THR A 36 23.580 -1.920 -3.739 1.00 0.00 H new ATOM 0 HG23 THR A 36 25.292 -1.433 -3.743 1.00 0.00 H new ATOM 566 N LEU A 37 22.524 -3.026 -1.356 1.00 0.00 N ATOM 567 CA LEU A 37 21.292 -2.333 -1.044 1.00 0.00 C ATOM 568 C LEU A 37 21.196 -2.018 0.438 1.00 0.00 C ATOM 569 O LEU A 37 20.638 -0.999 0.845 1.00 0.00 O ATOM 570 CB LEU A 37 20.124 -3.194 -1.463 1.00 0.00 C ATOM 571 CG LEU A 37 20.076 -3.258 -2.995 1.00 0.00 C ATOM 572 CD1 LEU A 37 19.161 -4.406 -3.431 1.00 0.00 C ATOM 573 CD2 LEU A 37 19.542 -1.933 -3.585 1.00 0.00 C ATOM 0 H LEU A 37 22.410 -4.018 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 37 21.276 -1.388 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.227 -4.196 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.193 -2.781 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 37 21.088 -3.424 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.127 -4.451 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.547 -5.348 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.156 -4.238 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.517 -2.003 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.535 -1.747 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 37 20.196 -1.113 -3.289 1.00 0.00 H new ATOM 585 N LEU A 38 21.733 -2.916 1.231 1.00 0.00 N ATOM 586 CA LEU A 38 21.718 -2.777 2.675 1.00 0.00 C ATOM 587 C LEU A 38 22.403 -1.488 3.083 1.00 0.00 C ATOM 588 O LEU A 38 21.969 -0.813 4.007 1.00 0.00 O ATOM 589 CB LEU A 38 22.460 -3.973 3.281 1.00 0.00 C ATOM 590 CG LEU A 38 22.635 -3.827 4.796 1.00 0.00 C ATOM 591 CD1 LEU A 38 21.297 -4.039 5.505 1.00 0.00 C ATOM 592 CD2 LEU A 38 23.650 -4.867 5.268 1.00 0.00 C ATOM 0 H LEU A 38 22.193 -3.763 0.897 1.00 0.00 H new ATOM 0 HA LEU A 38 20.689 -2.749 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.910 -4.889 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.438 -4.070 2.810 1.00 0.00 H new ATOM 0 HG LEU A 38 22.991 -2.825 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 38 21.435 -3.933 6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.579 -3.297 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 38 20.923 -5.039 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 23.788 -4.778 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 38 23.285 -5.866 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 38 24.603 -4.700 4.765 1.00 0.00 H new ATOM 604 N GLU A 39 23.488 -1.162 2.412 1.00 0.00 N ATOM 605 CA GLU A 39 24.219 0.050 2.732 1.00 0.00 C ATOM 606 C GLU A 39 23.499 1.265 2.153 1.00 0.00 C ATOM 607 O GLU A 39 23.693 2.387 2.618 1.00 0.00 O ATOM 608 CB GLU A 39 25.652 -0.025 2.197 1.00 0.00 C ATOM 609 CG GLU A 39 25.610 -0.395 0.734 1.00 0.00 C ATOM 610 CD GLU A 39 26.992 -0.239 0.109 1.00 0.00 C ATOM 611 OE1 GLU A 39 27.962 -0.549 0.779 1.00 0.00 O ATOM 612 OE2 GLU A 39 27.058 0.189 -1.032 1.00 0.00 O ATOM 0 H GLU A 39 23.882 -1.712 1.649 1.00 0.00 H new ATOM 0 HA GLU A 39 24.264 0.151 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 39 26.154 0.933 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.225 -0.765 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 39 25.267 -1.423 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 39 24.894 0.239 0.212 1.00 0.00 H new ATOM 619 N PHE A 40 22.675 1.044 1.122 1.00 0.00 N ATOM 620 CA PHE A 40 21.958 2.146 0.494 1.00 0.00 C ATOM 621 C PHE A 40 20.960 2.792 1.451 1.00 0.00 C ATOM 622 O PHE A 40 20.900 4.015 1.570 1.00 0.00 O ATOM 623 CB PHE A 40 21.224 1.614 -0.751 1.00 0.00 C ATOM 624 CG PHE A 40 21.827 2.180 -2.017 1.00 0.00 C ATOM 625 CD1 PHE A 40 21.854 3.562 -2.207 1.00 0.00 C ATOM 626 CD2 PHE A 40 22.363 1.324 -2.987 1.00 0.00 C ATOM 627 CE1 PHE A 40 22.417 4.099 -3.371 1.00 0.00 C ATOM 628 CE2 PHE A 40 22.928 1.859 -4.151 1.00 0.00 C ATOM 629 CZ PHE A 40 22.954 3.246 -4.344 1.00 0.00 C ATOM 0 H PHE A 40 22.494 0.127 0.715 1.00 0.00 H new ATOM 0 HA PHE A 40 22.679 2.913 0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 40 21.279 0.526 -0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 40 20.168 1.879 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 40 21.440 4.218 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 40 22.341 0.255 -2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 40 22.437 5.169 -3.519 1.00 0.00 H new ATOM 0 HE2 PHE A 40 23.344 1.202 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 40 23.388 3.658 -5.243 1.00 0.00 H new ATOM 639 N LYS A 41 20.167 1.963 2.107 1.00 0.00 N ATOM 640 CA LYS A 41 19.163 2.468 3.025 1.00 0.00 C ATOM 641 C LYS A 41 19.818 3.195 4.188 1.00 0.00 C ATOM 642 O LYS A 41 19.291 4.183 4.697 1.00 0.00 O ATOM 643 CB LYS A 41 18.303 1.320 3.531 1.00 0.00 C ATOM 644 CG LYS A 41 19.179 0.280 4.252 1.00 0.00 C ATOM 645 CD LYS A 41 18.850 0.270 5.755 1.00 0.00 C ATOM 646 CE LYS A 41 19.676 -0.805 6.463 1.00 0.00 C ATOM 647 NZ LYS A 41 18.909 -2.082 6.479 1.00 0.00 N ATOM 0 H LYS A 41 20.198 0.947 2.022 1.00 0.00 H new ATOM 0 HA LYS A 41 18.529 3.179 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.541 1.699 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.781 0.851 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.009 -0.709 3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.233 0.514 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.061 1.247 6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.787 0.079 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.628 -0.945 5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.905 -0.492 7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.437 -2.797 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.983 -1.925 6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.771 -2.416 5.504 1.00 0.00 H new ATOM 661 N SER A 42 20.975 2.696 4.596 1.00 0.00 N ATOM 662 CA SER A 42 21.712 3.298 5.694 1.00 0.00 C ATOM 663 C SER A 42 22.171 4.696 5.300 1.00 0.00 C ATOM 664 O SER A 42 22.108 5.630 6.099 1.00 0.00 O ATOM 665 CB SER A 42 22.920 2.436 6.039 1.00 0.00 C ATOM 666 OG SER A 42 22.484 1.235 6.664 1.00 0.00 O ATOM 0 H SER A 42 21.422 1.877 4.184 1.00 0.00 H new ATOM 0 HA SER A 42 21.062 3.367 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 42 23.484 2.204 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 42 23.591 2.981 6.703 1.00 0.00 H new ATOM 0 HG SER A 42 23.261 0.680 6.884 1.00 0.00 H new ATOM 672 N ALA A 43 22.621 4.834 4.055 1.00 0.00 N ATOM 673 CA ALA A 43 23.072 6.128 3.556 1.00 0.00 C ATOM 674 C ALA A 43 21.883 7.070 3.395 1.00 0.00 C ATOM 675 O ALA A 43 21.968 8.254 3.708 1.00 0.00 O ATOM 676 CB ALA A 43 23.788 5.956 2.215 1.00 0.00 C ATOM 0 H ALA A 43 22.682 4.072 3.379 1.00 0.00 H new ATOM 0 HA ALA A 43 23.769 6.558 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.120 6.929 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.651 5.303 2.345 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.104 5.513 1.491 1.00 0.00 H new ATOM 682 N THR A 44 20.772 6.521 2.919 1.00 0.00 N ATOM 683 CA THR A 44 19.557 7.294 2.728 1.00 0.00 C ATOM 684 C THR A 44 19.032 7.825 4.058 1.00 0.00 C ATOM 685 O THR A 44 18.613 8.977 4.154 1.00 0.00 O ATOM 686 CB THR A 44 18.509 6.400 2.053 1.00 0.00 C ATOM 687 OG1 THR A 44 18.727 6.387 0.649 1.00 0.00 O ATOM 688 CG2 THR A 44 17.095 6.885 2.372 1.00 0.00 C ATOM 0 H THR A 44 20.690 5.538 2.658 1.00 0.00 H new ATOM 0 HA THR A 44 19.771 8.155 2.095 1.00 0.00 H new ATOM 0 HB THR A 44 18.610 5.386 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.058 5.814 0.219 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.369 6.236 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.936 6.860 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.970 7.906 2.011 1.00 0.00 H new ATOM 696 N LYS A 45 19.052 6.974 5.067 1.00 0.00 N ATOM 697 CA LYS A 45 18.566 7.360 6.379 1.00 0.00 C ATOM 698 C LYS A 45 19.251 8.631 6.835 1.00 0.00 C ATOM 699 O LYS A 45 18.686 9.410 7.588 1.00 0.00 O ATOM 700 CB LYS A 45 18.839 6.241 7.382 1.00 0.00 C ATOM 701 CG LYS A 45 18.277 6.618 8.784 1.00 0.00 C ATOM 702 CD LYS A 45 19.400 6.658 9.828 1.00 0.00 C ATOM 703 CE LYS A 45 19.807 5.234 10.208 1.00 0.00 C ATOM 704 NZ LYS A 45 20.920 5.291 11.198 1.00 0.00 N ATOM 0 H LYS A 45 19.397 6.016 5.005 1.00 0.00 H new ATOM 0 HA LYS A 45 17.492 7.537 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 45 18.380 5.315 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.912 6.059 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.786 7.590 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.521 5.893 9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 45 20.260 7.197 9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 45 19.066 7.199 10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.956 4.700 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 45 20.121 4.684 9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 21.201 4.325 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 21.733 5.786 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.604 5.802 12.047 1.00 0.00 H new ATOM 718 N SER A 46 20.475 8.836 6.379 1.00 0.00 N ATOM 719 CA SER A 46 21.220 10.026 6.758 1.00 0.00 C ATOM 720 C SER A 46 20.738 11.253 5.969 1.00 0.00 C ATOM 721 O SER A 46 20.828 12.384 6.448 1.00 0.00 O ATOM 722 CB SER A 46 22.709 9.787 6.525 1.00 0.00 C ATOM 723 OG SER A 46 23.263 9.137 7.661 1.00 0.00 O ATOM 0 H SER A 46 20.970 8.202 5.752 1.00 0.00 H new ATOM 0 HA SER A 46 21.049 10.227 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 46 22.856 9.176 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.218 10.735 6.349 1.00 0.00 H new ATOM 0 HG SER A 46 24.219 8.980 7.514 1.00 0.00 H new ATOM 729 N LEU A 47 20.236 11.020 4.756 1.00 0.00 N ATOM 730 CA LEU A 47 19.751 12.102 3.901 1.00 0.00 C ATOM 731 C LEU A 47 18.441 12.675 4.424 1.00 0.00 C ATOM 732 O LEU A 47 18.059 13.796 4.084 1.00 0.00 O ATOM 733 CB LEU A 47 19.539 11.586 2.487 1.00 0.00 C ATOM 734 CG LEU A 47 20.825 10.933 1.964 1.00 0.00 C ATOM 735 CD1 LEU A 47 20.578 10.378 0.557 1.00 0.00 C ATOM 736 CD2 LEU A 47 21.960 11.971 1.921 1.00 0.00 C ATOM 0 H LEU A 47 20.155 10.091 4.344 1.00 0.00 H new ATOM 0 HA LEU A 47 20.502 12.892 3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.724 10.863 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 47 19.247 12.407 1.832 1.00 0.00 H new ATOM 0 HG LEU A 47 21.113 10.120 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.491 9.914 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.781 9.635 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.286 11.190 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 47 22.870 11.500 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 47 21.679 12.790 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.137 12.359 2.924 1.00 0.00 H new ATOM 748 N VAL A 48 17.748 11.890 5.233 1.00 0.00 N ATOM 749 CA VAL A 48 16.467 12.308 5.784 1.00 0.00 C ATOM 750 C VAL A 48 16.618 13.614 6.553 1.00 0.00 C ATOM 751 O VAL A 48 15.748 14.483 6.503 1.00 0.00 O ATOM 752 CB VAL A 48 15.908 11.209 6.704 1.00 0.00 C ATOM 753 CG1 VAL A 48 15.991 9.849 5.999 1.00 0.00 C ATOM 754 CG2 VAL A 48 16.698 11.170 8.029 1.00 0.00 C ATOM 0 H VAL A 48 18.050 10.960 5.523 1.00 0.00 H new ATOM 0 HA VAL A 48 15.769 12.471 4.963 1.00 0.00 H new ATOM 0 HB VAL A 48 14.864 11.431 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 48 15.594 9.074 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.407 9.880 5.079 1.00 0.00 H new ATOM 0 HG13 VAL A 48 17.031 9.625 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.293 10.388 8.671 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.747 10.961 7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.613 12.133 8.532 1.00 0.00 H new ATOM 764 N SER A 49 17.731 13.743 7.265 1.00 0.00 N ATOM 765 CA SER A 49 18.005 14.941 8.051 1.00 0.00 C ATOM 766 C SER A 49 18.871 15.915 7.260 1.00 0.00 C ATOM 767 O SER A 49 18.512 17.079 7.082 1.00 0.00 O ATOM 768 CB SER A 49 18.721 14.538 9.335 1.00 0.00 C ATOM 769 OG SER A 49 20.099 14.329 9.060 1.00 0.00 O ATOM 0 H SER A 49 18.460 13.031 7.315 1.00 0.00 H new ATOM 0 HA SER A 49 17.064 15.436 8.290 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.603 15.316 10.090 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.278 13.629 9.742 1.00 0.00 H new ATOM 0 HG SER A 49 20.562 14.071 9.885 1.00 0.00 H new ATOM 775 N GLY A 50 20.011 15.427 6.788 1.00 0.00 N ATOM 776 CA GLY A 50 20.927 16.256 6.012 1.00 0.00 C ATOM 777 C GLY A 50 21.445 17.423 6.843 1.00 0.00 C ATOM 778 O GLY A 50 21.639 18.526 6.334 1.00 0.00 O ATOM 0 H GLY A 50 20.323 14.466 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.765 15.652 5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.418 16.634 5.125 1.00 0.00 H new ATOM 782 N ASP A 51 21.662 17.169 8.130 1.00 0.00 N ATOM 783 CA ASP A 51 22.156 18.201 9.039 1.00 0.00 C ATOM 784 C ASP A 51 22.980 17.581 10.163 1.00 0.00 C ATOM 785 O ASP A 51 22.565 16.603 10.785 1.00 0.00 O ATOM 786 CB ASP A 51 20.984 18.971 9.632 1.00 0.00 C ATOM 787 CG ASP A 51 21.495 20.129 10.483 1.00 0.00 C ATOM 788 OD1 ASP A 51 22.695 20.203 10.689 1.00 0.00 O ATOM 789 OD2 ASP A 51 20.678 20.925 10.915 1.00 0.00 O ATOM 0 H ASP A 51 21.505 16.261 8.567 1.00 0.00 H new ATOM 0 HA ASP A 51 22.792 18.882 8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 51 20.346 19.350 8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 51 20.372 18.305 10.240 1.00 0.00 H new ATOM 794 N GLU A 52 24.149 18.160 10.422 1.00 0.00 N ATOM 795 CA GLU A 52 25.022 17.658 11.474 1.00 0.00 C ATOM 796 C GLU A 52 24.230 17.398 12.753 1.00 0.00 C ATOM 797 O GLU A 52 24.563 16.452 13.449 1.00 0.00 O ATOM 798 CB GLU A 52 26.126 18.671 11.754 1.00 0.00 C ATOM 799 CG GLU A 52 27.067 18.750 10.550 1.00 0.00 C ATOM 800 CD GLU A 52 28.127 19.821 10.789 1.00 0.00 C ATOM 801 OE1 GLU A 52 28.109 20.417 11.852 1.00 0.00 O ATOM 802 OE2 GLU A 52 28.939 20.029 9.903 1.00 0.00 O ATOM 0 H GLU A 52 24.510 18.972 9.921 1.00 0.00 H new ATOM 0 HA GLU A 52 25.463 16.719 11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.692 19.651 11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 52 26.683 18.381 12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 52 27.544 17.784 10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.500 18.982 9.649 1.00 0.00 H new TER 809 GLU A 52