USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 148:sc= -3.1 (180deg=-5.03!) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0 (180deg=-0.112) USER MOD Single : A 3 MET CE :methyl 150:sc= -3.76 (180deg=-8.04!) USER MOD Single : A 5 THR OG1 : rot 31:sc= 0.0962 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 9 ASN : amide:sc= -1.24 K(o=-1.2,f=-5.5!) USER MOD Single : A 14 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.55) USER MOD Single : A 19 TYR OH : rot -63:sc= 1.38 USER MOD Single : A 20 MET CE :methyl -162:sc= -4.15 (180deg=-5.25) USER MOD Single : A 22 THR OG1 : rot -18:sc= 0.389 USER MOD Single : A 23 GLN : amide:sc= -0.483 K(o=-0.48,f=-5.2!) USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.256 USER MOD Single : A 30 GLN : amide:sc= -0.211 K(o=-0.21,f=-0.86) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 17:sc= 0.734 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.43) USER MOD Single : B 1 MET CE :methyl 143:sc= -2.83 (180deg=-4.75!) USER MOD Single : B 1 MET N :NH3+ -159:sc= 0 (180deg=-0.177) USER MOD Single : B 3 MET CE :methyl 158:sc= -2.24 (180deg=-2.41) USER MOD Single : B 5 THR OG1 : rot -112:sc= 0.194 USER MOD Single : B 6 SER OG : rot 180:sc= -0.0146 USER MOD Single : B 9 ASN : amide:sc= -1.32 K(o=-1.3,f=-5.1!) USER MOD Single : B 14 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.62) USER MOD Single : B 19 TYR OH : rot -61:sc= 1.33 USER MOD Single : B 20 MET CE :methyl -163:sc= -2.53 (180deg=-3.31) USER MOD Single : B 22 THR OG1 : rot -22:sc= 0.371 USER MOD Single : B 23 GLN : amide:sc= -0.782 K(o=-0.78,f=-4!) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.5!) USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 SER OG : rot 21:sc= 0.544 USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.957 -11.001 -4.014 1.00 0.00 N ATOM 2 CA MET A 1 -1.299 -10.121 -4.973 1.00 0.00 C ATOM 3 C MET A 1 -1.417 -10.674 -6.389 1.00 0.00 C ATOM 4 O MET A 1 -0.996 -11.799 -6.664 1.00 0.00 O ATOM 5 CB MET A 1 0.174 -9.940 -4.603 1.00 0.00 C ATOM 6 CG MET A 1 0.385 -9.268 -3.257 1.00 0.00 C ATOM 7 SD MET A 1 1.416 -7.793 -3.371 1.00 0.00 S ATOM 8 CE MET A 1 0.476 -6.812 -4.538 1.00 0.00 C ATOM 0 H1 MET A 1 -2.135 -10.481 -3.131 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.860 -11.331 -4.409 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.346 -11.819 -3.817 1.00 0.00 H new ATOM 0 HA MET A 1 -1.796 -9.151 -4.940 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.660 -10.916 -4.593 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.664 -9.348 -5.376 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.583 -8.998 -2.834 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.847 -9.977 -2.570 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.604 -5.754 -4.310 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.831 -7.011 -5.549 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.580 -7.073 -4.466 1.00 0.00 H new ATOM 18 N LEU A 2 -1.990 -9.878 -7.285 1.00 0.00 N ATOM 19 CA LEU A 2 -2.162 -10.289 -8.674 1.00 0.00 C ATOM 20 C LEU A 2 -1.435 -9.337 -9.618 1.00 0.00 C ATOM 21 O LEU A 2 -1.702 -8.136 -9.630 1.00 0.00 O ATOM 22 CB LEU A 2 -3.649 -10.341 -9.030 1.00 0.00 C ATOM 23 CG LEU A 2 -3.981 -10.730 -10.471 1.00 0.00 C ATOM 24 CD1 LEU A 2 -3.253 -12.007 -10.861 1.00 0.00 C ATOM 25 CD2 LEU A 2 -5.483 -10.896 -10.646 1.00 0.00 C ATOM 0 H LEU A 2 -2.343 -8.945 -7.075 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.731 -11.284 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.137 -11.050 -8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.085 -9.362 -8.830 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.645 -9.929 -11.129 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.502 -12.268 -11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.177 -11.853 -10.776 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.557 -12.816 -10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.701 -11.173 -11.678 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.843 -11.677 -9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.983 -9.957 -10.409 1.00 0.00 H new ATOM 37 N MET A 3 -0.517 -9.883 -10.409 1.00 0.00 N ATOM 38 CA MET A 3 0.247 -9.082 -11.359 1.00 0.00 C ATOM 39 C MET A 3 -0.682 -8.349 -12.322 1.00 0.00 C ATOM 40 O MET A 3 -1.541 -8.962 -12.957 1.00 0.00 O ATOM 41 CB MET A 3 1.217 -9.968 -12.142 1.00 0.00 C ATOM 42 CG MET A 3 2.554 -9.303 -12.425 1.00 0.00 C ATOM 43 SD MET A 3 3.419 -10.047 -13.821 1.00 0.00 S ATOM 44 CE MET A 3 4.250 -8.616 -14.506 1.00 0.00 C ATOM 0 H MET A 3 -0.284 -10.876 -10.411 1.00 0.00 H new ATOM 0 HA MET A 3 0.816 -8.342 -10.797 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.389 -10.887 -11.582 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.754 -10.252 -13.087 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.393 -8.244 -12.625 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.183 -9.368 -11.537 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.180 -8.928 -14.981 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.606 -8.141 -15.247 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.470 -7.906 -13.708 1.00 0.00 H new ATOM 54 N ILE A 4 -0.504 -7.037 -12.426 1.00 0.00 N ATOM 55 CA ILE A 4 -1.326 -6.223 -13.313 1.00 0.00 C ATOM 56 C ILE A 4 -0.754 -6.200 -14.726 1.00 0.00 C ATOM 57 O ILE A 4 -1.484 -6.348 -15.707 1.00 0.00 O ATOM 58 CB ILE A 4 -1.448 -4.777 -12.797 1.00 0.00 C ATOM 59 CG1 ILE A 4 -2.184 -4.751 -11.456 1.00 0.00 C ATOM 60 CG2 ILE A 4 -2.167 -3.909 -13.819 1.00 0.00 C ATOM 61 CD1 ILE A 4 -3.525 -5.450 -11.489 1.00 0.00 C ATOM 0 H ILE A 4 0.202 -6.515 -11.907 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.316 -6.678 -13.332 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.446 -4.374 -12.648 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.557 -5.220 -10.698 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.331 -3.715 -11.151 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.246 -2.890 -13.440 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.606 -3.906 -14.753 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.166 -4.308 -13.997 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.990 -5.392 -10.505 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.169 -4.967 -12.223 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.384 -6.496 -11.763 1.00 0.00 H new ATOM 73 N THR A 5 0.559 -6.016 -14.824 1.00 0.00 N ATOM 74 CA THR A 5 1.231 -5.974 -16.117 1.00 0.00 C ATOM 75 C THR A 5 2.744 -5.904 -15.949 1.00 0.00 C ATOM 76 O THR A 5 3.256 -5.942 -14.830 1.00 0.00 O ATOM 77 CB THR A 5 0.763 -4.770 -16.955 1.00 0.00 C ATOM 78 OG1 THR A 5 1.158 -4.939 -18.321 1.00 0.00 O ATOM 79 CG2 THR A 5 1.344 -3.473 -16.411 1.00 0.00 C ATOM 0 H THR A 5 1.178 -5.894 -14.023 1.00 0.00 H new ATOM 0 HA THR A 5 0.968 -6.894 -16.639 1.00 0.00 H new ATOM 0 HB THR A 5 -0.324 -4.716 -16.896 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.176 -5.894 -18.541 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.999 -2.637 -17.019 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.017 -3.332 -15.381 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.433 -3.520 -16.443 1.00 0.00 H new ATOM 87 N SER A 6 3.455 -5.802 -17.067 1.00 0.00 N ATOM 88 CA SER A 6 4.912 -5.729 -17.043 1.00 0.00 C ATOM 89 C SER A 6 5.416 -4.626 -17.967 1.00 0.00 C ATOM 90 O SER A 6 5.090 -4.597 -19.154 1.00 0.00 O ATOM 91 CB SER A 6 5.517 -7.072 -17.455 1.00 0.00 C ATOM 92 OG SER A 6 6.253 -6.951 -18.660 1.00 0.00 O ATOM 0 H SER A 6 3.046 -5.768 -18.001 1.00 0.00 H new ATOM 0 HA SER A 6 5.223 -5.495 -16.025 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.169 -7.439 -16.662 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.723 -7.808 -17.582 1.00 0.00 H new ATOM 0 HG SER A 6 6.631 -7.822 -18.902 1.00 0.00 H new ATOM 98 N PHE A 7 6.214 -3.718 -17.414 1.00 0.00 N ATOM 99 CA PHE A 7 6.764 -2.611 -18.188 1.00 0.00 C ATOM 100 C PHE A 7 8.283 -2.720 -18.290 1.00 0.00 C ATOM 101 O PHE A 7 8.897 -3.582 -17.662 1.00 0.00 O ATOM 102 CB PHE A 7 6.380 -1.275 -17.550 1.00 0.00 C ATOM 103 CG PHE A 7 4.907 -0.984 -17.607 1.00 0.00 C ATOM 104 CD1 PHE A 7 4.182 -1.240 -18.760 1.00 0.00 C ATOM 105 CD2 PHE A 7 4.248 -0.456 -16.509 1.00 0.00 C ATOM 106 CE1 PHE A 7 2.827 -0.973 -18.816 1.00 0.00 C ATOM 107 CE2 PHE A 7 2.893 -0.187 -16.559 1.00 0.00 C ATOM 108 CZ PHE A 7 2.182 -0.447 -17.714 1.00 0.00 C ATOM 0 H PHE A 7 6.494 -3.727 -16.433 1.00 0.00 H new ATOM 0 HA PHE A 7 6.345 -2.660 -19.193 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.703 -1.273 -16.509 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.920 -0.473 -18.053 1.00 0.00 H new ATOM 0 HD1 PHE A 7 4.681 -1.653 -19.624 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.799 -0.252 -15.603 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.273 -1.176 -19.721 1.00 0.00 H new ATOM 0 HE2 PHE A 7 2.391 0.226 -15.696 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.123 -0.239 -17.755 1.00 0.00 H new ATOM 118 N ALA A 8 8.881 -1.841 -19.088 1.00 0.00 N ATOM 119 CA ALA A 8 10.326 -1.837 -19.272 1.00 0.00 C ATOM 120 C ALA A 8 10.899 -0.435 -19.092 1.00 0.00 C ATOM 121 O ALA A 8 11.742 0.006 -19.872 1.00 0.00 O ATOM 122 CB ALA A 8 10.685 -2.383 -20.647 1.00 0.00 C ATOM 0 H ALA A 8 8.386 -1.123 -19.617 1.00 0.00 H new ATOM 0 HA ALA A 8 10.766 -2.481 -18.511 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.768 -2.374 -20.771 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.318 -3.405 -20.740 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.227 -1.761 -21.416 1.00 0.00 H new ATOM 128 N ASN A 9 10.435 0.260 -18.058 1.00 0.00 N ATOM 129 CA ASN A 9 10.901 1.613 -17.776 1.00 0.00 C ATOM 130 C ASN A 9 10.315 2.128 -16.465 1.00 0.00 C ATOM 131 O ASN A 9 9.166 1.851 -16.119 1.00 0.00 O ATOM 132 CB ASN A 9 10.522 2.554 -18.922 1.00 0.00 C ATOM 133 CG ASN A 9 11.701 2.876 -19.819 1.00 0.00 C ATOM 134 OD1 ASN A 9 12.790 3.195 -19.342 1.00 0.00 O ATOM 135 ND2 ASN A 9 11.489 2.794 -21.127 1.00 0.00 N ATOM 0 H ASN A 9 9.737 -0.091 -17.402 1.00 0.00 H new ATOM 0 HA ASN A 9 11.987 1.585 -17.682 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.731 2.098 -19.517 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.119 3.479 -18.511 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.245 2.999 -21.780 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.570 2.526 -21.479 1.00 0.00 H new ATOM 142 N PRO A 10 11.121 2.896 -15.718 1.00 0.00 N ATOM 143 CA PRO A 10 10.704 3.467 -14.434 1.00 0.00 C ATOM 144 C PRO A 10 9.654 4.560 -14.599 1.00 0.00 C ATOM 145 O PRO A 10 8.644 4.575 -13.896 1.00 0.00 O ATOM 146 CB PRO A 10 12.000 4.052 -13.868 1.00 0.00 C ATOM 147 CG PRO A 10 12.844 4.332 -15.064 1.00 0.00 C ATOM 148 CD PRO A 10 12.503 3.267 -16.069 1.00 0.00 C ATOM 0 HA PRO A 10 10.239 2.722 -13.789 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.808 4.961 -13.298 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.490 3.350 -13.194 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.638 5.325 -15.463 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.903 4.304 -14.809 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.571 3.642 -17.090 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.179 2.415 -15.996 1.00 0.00 H new ATOM 156 N ARG A 11 9.899 5.473 -15.533 1.00 0.00 N ATOM 157 CA ARG A 11 8.974 6.571 -15.790 1.00 0.00 C ATOM 158 C ARG A 11 7.552 6.050 -15.978 1.00 0.00 C ATOM 159 O ARG A 11 6.623 6.494 -15.302 1.00 0.00 O ATOM 160 CB ARG A 11 9.410 7.353 -17.031 1.00 0.00 C ATOM 161 CG ARG A 11 10.866 7.789 -16.995 1.00 0.00 C ATOM 162 CD ARG A 11 11.146 8.878 -18.019 1.00 0.00 C ATOM 163 NE ARG A 11 12.440 9.518 -17.797 1.00 0.00 N ATOM 164 CZ ARG A 11 12.675 10.379 -16.814 1.00 0.00 C ATOM 165 NH1 ARG A 11 11.708 10.702 -15.966 1.00 0.00 N ATOM 166 NH2 ARG A 11 13.879 10.920 -16.677 1.00 0.00 N ATOM 0 H ARG A 11 10.730 5.474 -16.124 1.00 0.00 H new ATOM 0 HA ARG A 11 8.988 7.236 -14.926 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.246 6.737 -17.915 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.778 8.235 -17.135 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.114 8.153 -15.998 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.509 6.931 -17.190 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.121 8.449 -19.021 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.358 9.629 -17.974 1.00 0.00 H new ATOM 0 HE ARG A 11 13.205 9.291 -18.432 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.781 10.289 -16.068 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.891 11.364 -15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.625 10.675 -17.327 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.058 11.581 -15.921 1.00 0.00 H new ATOM 180 N VAL A 12 7.389 5.107 -16.900 1.00 0.00 N ATOM 181 CA VAL A 12 6.081 4.526 -17.176 1.00 0.00 C ATOM 182 C VAL A 12 5.509 3.846 -15.937 1.00 0.00 C ATOM 183 O VAL A 12 4.392 4.141 -15.514 1.00 0.00 O ATOM 184 CB VAL A 12 6.153 3.501 -18.324 1.00 0.00 C ATOM 185 CG1 VAL A 12 4.777 2.914 -18.603 1.00 0.00 C ATOM 186 CG2 VAL A 12 6.731 4.143 -19.575 1.00 0.00 C ATOM 0 H VAL A 12 8.147 4.729 -17.469 1.00 0.00 H new ATOM 0 HA VAL A 12 5.426 5.346 -17.472 1.00 0.00 H new ATOM 0 HB VAL A 12 6.814 2.688 -18.022 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.848 2.192 -19.417 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.405 2.416 -17.707 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.091 3.713 -18.885 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.775 3.405 -20.376 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.098 4.975 -19.883 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.736 4.510 -19.365 1.00 0.00 H new ATOM 196 N ALA A 13 6.283 2.933 -15.359 1.00 0.00 N ATOM 197 CA ALA A 13 5.855 2.212 -14.167 1.00 0.00 C ATOM 198 C ALA A 13 5.296 3.168 -13.119 1.00 0.00 C ATOM 199 O ALA A 13 4.123 3.090 -12.757 1.00 0.00 O ATOM 200 CB ALA A 13 7.013 1.411 -13.590 1.00 0.00 C ATOM 0 H ALA A 13 7.210 2.675 -15.697 1.00 0.00 H new ATOM 0 HA ALA A 13 5.060 1.524 -14.454 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.679 0.878 -12.700 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.365 0.694 -14.332 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.826 2.087 -13.324 1.00 0.00 H new ATOM 206 N GLN A 14 6.145 4.069 -12.634 1.00 0.00 N ATOM 207 CA GLN A 14 5.735 5.040 -11.626 1.00 0.00 C ATOM 208 C GLN A 14 4.501 5.811 -12.082 1.00 0.00 C ATOM 209 O GLN A 14 3.568 6.023 -11.308 1.00 0.00 O ATOM 210 CB GLN A 14 6.878 6.012 -11.329 1.00 0.00 C ATOM 211 CG GLN A 14 6.559 7.006 -10.223 1.00 0.00 C ATOM 212 CD GLN A 14 6.000 6.338 -8.982 1.00 0.00 C ATOM 213 OE1 GLN A 14 6.460 5.270 -8.577 1.00 0.00 O ATOM 214 NE2 GLN A 14 5.003 6.966 -8.370 1.00 0.00 N ATOM 0 H GLN A 14 7.120 4.147 -12.923 1.00 0.00 H new ATOM 0 HA GLN A 14 5.484 4.496 -10.715 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.765 5.443 -11.050 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.124 6.560 -12.239 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.464 7.554 -9.960 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.840 7.737 -10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.653 7.849 -8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.587 6.565 -7.529 1.00 0.00 H new ATOM 223 N ALA A 15 4.503 6.228 -13.344 1.00 0.00 N ATOM 224 CA ALA A 15 3.383 6.974 -13.904 1.00 0.00 C ATOM 225 C ALA A 15 2.077 6.203 -13.748 1.00 0.00 C ATOM 226 O ALA A 15 1.125 6.692 -13.140 1.00 0.00 O ATOM 227 CB ALA A 15 3.640 7.290 -15.370 1.00 0.00 C ATOM 0 H ALA A 15 5.268 6.062 -13.998 1.00 0.00 H new ATOM 0 HA ALA A 15 3.290 7.910 -13.353 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.796 7.847 -15.776 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.547 7.889 -15.460 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.762 6.361 -15.926 1.00 0.00 H new ATOM 233 N PHE A 16 2.038 4.996 -14.301 1.00 0.00 N ATOM 234 CA PHE A 16 0.848 4.157 -14.225 1.00 0.00 C ATOM 235 C PHE A 16 0.347 4.053 -12.787 1.00 0.00 C ATOM 236 O PHE A 16 -0.833 4.266 -12.512 1.00 0.00 O ATOM 237 CB PHE A 16 1.145 2.761 -14.776 1.00 0.00 C ATOM 238 CG PHE A 16 0.845 2.619 -16.241 1.00 0.00 C ATOM 239 CD1 PHE A 16 1.794 2.958 -17.192 1.00 0.00 C ATOM 240 CD2 PHE A 16 -0.386 2.146 -16.667 1.00 0.00 C ATOM 241 CE1 PHE A 16 1.521 2.827 -18.541 1.00 0.00 C ATOM 242 CE2 PHE A 16 -0.664 2.014 -18.014 1.00 0.00 C ATOM 243 CZ PHE A 16 0.291 2.356 -18.952 1.00 0.00 C ATOM 0 H PHE A 16 2.818 4.576 -14.807 1.00 0.00 H new ATOM 0 HA PHE A 16 0.069 4.620 -14.830 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.196 2.527 -14.604 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.560 2.028 -14.221 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.758 3.329 -16.876 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.136 1.878 -15.938 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.270 3.093 -19.272 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.627 1.644 -18.333 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.075 2.255 -20.005 1.00 0.00 H new ATOM 253 N VAL A 17 1.255 3.723 -11.874 1.00 0.00 N ATOM 254 CA VAL A 17 0.907 3.590 -10.464 1.00 0.00 C ATOM 255 C VAL A 17 0.514 4.936 -9.866 1.00 0.00 C ATOM 256 O VAL A 17 -0.196 4.998 -8.862 1.00 0.00 O ATOM 257 CB VAL A 17 2.075 3.001 -9.651 1.00 0.00 C ATOM 258 CG1 VAL A 17 1.749 3.008 -8.165 1.00 0.00 C ATOM 259 CG2 VAL A 17 2.397 1.592 -10.127 1.00 0.00 C ATOM 0 H VAL A 17 2.237 3.543 -12.085 1.00 0.00 H new ATOM 0 HA VAL A 17 0.057 2.910 -10.410 1.00 0.00 H new ATOM 0 HB VAL A 17 2.955 3.624 -9.808 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.586 2.588 -7.607 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.571 4.032 -7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.856 2.409 -7.986 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.225 1.191 -9.542 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.521 0.956 -10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.677 1.619 -11.180 1.00 0.00 H new ATOM 269 N ASP A 18 0.982 6.013 -10.488 1.00 0.00 N ATOM 270 CA ASP A 18 0.678 7.360 -10.019 1.00 0.00 C ATOM 271 C ASP A 18 -0.798 7.687 -10.225 1.00 0.00 C ATOM 272 O ASP A 18 -1.520 7.972 -9.269 1.00 0.00 O ATOM 273 CB ASP A 18 1.548 8.385 -10.748 1.00 0.00 C ATOM 274 CG ASP A 18 1.560 9.732 -10.053 1.00 0.00 C ATOM 275 OD1 ASP A 18 1.919 9.780 -8.858 1.00 0.00 O ATOM 276 OD2 ASP A 18 1.210 10.739 -10.703 1.00 0.00 O ATOM 0 H ASP A 18 1.573 5.979 -11.318 1.00 0.00 H new ATOM 0 HA ASP A 18 0.895 7.405 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.568 8.007 -10.819 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.182 8.508 -11.767 1.00 0.00 H new ATOM 281 N TYR A 19 -1.238 7.646 -11.477 1.00 0.00 N ATOM 282 CA TYR A 19 -2.627 7.942 -11.809 1.00 0.00 C ATOM 283 C TYR A 19 -3.569 6.932 -11.161 1.00 0.00 C ATOM 284 O TYR A 19 -4.692 7.267 -10.787 1.00 0.00 O ATOM 285 CB TYR A 19 -2.822 7.938 -13.326 1.00 0.00 C ATOM 286 CG TYR A 19 -3.151 6.574 -13.890 1.00 0.00 C ATOM 287 CD1 TYR A 19 -4.429 6.042 -13.774 1.00 0.00 C ATOM 288 CD2 TYR A 19 -2.184 5.818 -14.541 1.00 0.00 C ATOM 289 CE1 TYR A 19 -4.734 4.796 -14.287 1.00 0.00 C ATOM 290 CE2 TYR A 19 -2.480 4.572 -15.059 1.00 0.00 C ATOM 291 CZ TYR A 19 -3.756 4.065 -14.929 1.00 0.00 C ATOM 292 OH TYR A 19 -4.056 2.824 -15.443 1.00 0.00 O ATOM 0 H TYR A 19 -0.653 7.411 -12.279 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.864 8.933 -11.421 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.623 8.631 -13.583 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.914 8.309 -13.802 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.198 6.612 -13.274 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.183 6.211 -14.644 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.732 4.397 -14.186 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.716 3.998 -15.563 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.317 2.223 -14.715 1.00 0.00 H new ATOM 302 N MET A 20 -3.101 5.695 -11.031 1.00 0.00 N ATOM 303 CA MET A 20 -3.901 4.636 -10.426 1.00 0.00 C ATOM 304 C MET A 20 -4.033 4.847 -8.921 1.00 0.00 C ATOM 305 O MET A 20 -5.089 4.597 -8.340 1.00 0.00 O ATOM 306 CB MET A 20 -3.273 3.270 -10.708 1.00 0.00 C ATOM 307 CG MET A 20 -4.293 2.155 -10.873 1.00 0.00 C ATOM 308 SD MET A 20 -4.730 1.862 -12.597 1.00 0.00 S ATOM 309 CE MET A 20 -6.439 2.398 -12.609 1.00 0.00 C ATOM 0 H MET A 20 -2.173 5.401 -11.336 1.00 0.00 H new ATOM 0 HA MET A 20 -4.897 4.669 -10.868 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.670 3.336 -11.613 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.597 3.015 -9.892 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.894 1.237 -10.442 1.00 0.00 H new ATOM 0 HG3 MET A 20 -5.193 2.406 -10.312 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.941 1.994 -13.488 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.939 2.040 -11.709 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.479 3.487 -12.637 1.00 0.00 H new ATOM 319 N ALA A 21 -2.955 5.308 -8.296 1.00 0.00 N ATOM 320 CA ALA A 21 -2.952 5.554 -6.859 1.00 0.00 C ATOM 321 C ALA A 21 -3.887 6.703 -6.496 1.00 0.00 C ATOM 322 O ALA A 21 -4.653 6.615 -5.536 1.00 0.00 O ATOM 323 CB ALA A 21 -1.539 5.848 -6.377 1.00 0.00 C ATOM 0 H ALA A 21 -2.072 5.519 -8.762 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.314 4.655 -6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.552 6.030 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.896 4.995 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.156 6.730 -6.890 1.00 0.00 H new ATOM 329 N THR A 22 -3.819 7.782 -7.271 1.00 0.00 N ATOM 330 CA THR A 22 -4.658 8.949 -7.030 1.00 0.00 C ATOM 331 C THR A 22 -6.124 8.639 -7.307 1.00 0.00 C ATOM 332 O THR A 22 -7.010 9.412 -6.945 1.00 0.00 O ATOM 333 CB THR A 22 -4.223 10.142 -7.902 1.00 0.00 C ATOM 334 OG1 THR A 22 -5.060 11.273 -7.636 1.00 0.00 O ATOM 335 CG2 THR A 22 -4.296 9.787 -9.380 1.00 0.00 C ATOM 0 H THR A 22 -3.192 7.871 -8.070 1.00 0.00 H new ATOM 0 HA THR A 22 -4.538 9.213 -5.979 1.00 0.00 H new ATOM 0 HB THR A 22 -3.190 10.388 -7.654 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.885 10.974 -7.200 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.984 10.645 -9.976 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.636 8.944 -9.585 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.320 9.518 -9.639 1.00 0.00 H new ATOM 343 N GLN A 23 -6.373 7.503 -7.951 1.00 0.00 N ATOM 344 CA GLN A 23 -7.733 7.092 -8.276 1.00 0.00 C ATOM 345 C GLN A 23 -8.310 6.203 -7.179 1.00 0.00 C ATOM 346 O GLN A 23 -9.461 5.776 -7.254 1.00 0.00 O ATOM 347 CB GLN A 23 -7.759 6.352 -9.615 1.00 0.00 C ATOM 348 CG GLN A 23 -7.792 7.277 -10.821 1.00 0.00 C ATOM 349 CD GLN A 23 -9.045 8.129 -10.868 1.00 0.00 C ATOM 350 OE1 GLN A 23 -10.071 7.715 -11.408 1.00 0.00 O ATOM 351 NE2 GLN A 23 -8.968 9.327 -10.300 1.00 0.00 N ATOM 0 H GLN A 23 -5.651 6.851 -8.258 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.348 7.989 -8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.880 5.711 -9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.632 5.700 -9.644 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.916 7.926 -10.801 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.727 6.682 -11.732 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.097 9.630 -9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.780 9.945 -10.300 1.00 0.00 H new ATOM 360 N GLY A 24 -7.501 5.927 -6.161 1.00 0.00 N ATOM 361 CA GLY A 24 -7.948 5.090 -5.063 1.00 0.00 C ATOM 362 C GLY A 24 -7.416 3.674 -5.160 1.00 0.00 C ATOM 363 O GLY A 24 -7.638 2.857 -4.266 1.00 0.00 O ATOM 0 H GLY A 24 -6.543 6.268 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.627 5.532 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.038 5.065 -5.049 1.00 0.00 H new ATOM 367 N VAL A 25 -6.713 3.380 -6.250 1.00 0.00 N ATOM 368 CA VAL A 25 -6.148 2.053 -6.461 1.00 0.00 C ATOM 369 C VAL A 25 -4.632 2.069 -6.301 1.00 0.00 C ATOM 370 O VAL A 25 -3.919 2.658 -7.113 1.00 0.00 O ATOM 371 CB VAL A 25 -6.501 1.508 -7.858 1.00 0.00 C ATOM 372 CG1 VAL A 25 -6.176 0.025 -7.951 1.00 0.00 C ATOM 373 CG2 VAL A 25 -7.967 1.763 -8.174 1.00 0.00 C ATOM 0 H VAL A 25 -6.522 4.044 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.583 1.400 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.897 2.034 -8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.432 -0.342 -8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.112 -0.126 -7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.751 -0.521 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.199 1.372 -9.164 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.591 1.265 -7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.163 2.835 -8.152 1.00 0.00 H new ATOM 383 N ILE A 26 -4.147 1.418 -5.250 1.00 0.00 N ATOM 384 CA ILE A 26 -2.715 1.356 -4.985 1.00 0.00 C ATOM 385 C ILE A 26 -2.046 0.276 -5.829 1.00 0.00 C ATOM 386 O ILE A 26 -2.525 -0.856 -5.902 1.00 0.00 O ATOM 387 CB ILE A 26 -2.429 1.079 -3.497 1.00 0.00 C ATOM 388 CG1 ILE A 26 -3.052 2.170 -2.624 1.00 0.00 C ATOM 389 CG2 ILE A 26 -0.930 0.989 -3.253 1.00 0.00 C ATOM 390 CD1 ILE A 26 -2.535 3.558 -2.931 1.00 0.00 C ATOM 0 H ILE A 26 -4.724 0.926 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.303 2.329 -5.251 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.879 0.123 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.134 2.156 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.856 1.942 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.744 0.793 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.512 0.179 -3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.458 1.930 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.020 4.280 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.457 3.589 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.755 3.807 -3.969 1.00 0.00 H new ATOM 402 N LEU A 27 -0.935 0.633 -6.464 1.00 0.00 N ATOM 403 CA LEU A 27 -0.197 -0.305 -7.302 1.00 0.00 C ATOM 404 C LEU A 27 1.266 -0.380 -6.879 1.00 0.00 C ATOM 405 O LEU A 27 1.774 0.513 -6.199 1.00 0.00 O ATOM 406 CB LEU A 27 -0.294 0.108 -8.772 1.00 0.00 C ATOM 407 CG LEU A 27 -1.655 -0.097 -9.438 1.00 0.00 C ATOM 408 CD1 LEU A 27 -1.566 0.182 -10.930 1.00 0.00 C ATOM 409 CD2 LEU A 27 -2.165 -1.509 -9.187 1.00 0.00 C ATOM 0 H LEU A 27 -0.525 1.566 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.643 -1.292 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.028 1.162 -8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.452 -0.452 -9.336 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.362 0.606 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.544 0.031 -11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.246 1.212 -11.089 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.844 -0.497 -11.385 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.135 -1.637 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.458 -2.230 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.268 -1.673 -8.114 1.00 0.00 H new ATOM 421 N THR A 28 1.942 -1.450 -7.287 1.00 0.00 N ATOM 422 CA THR A 28 3.347 -1.640 -6.951 1.00 0.00 C ATOM 423 C THR A 28 4.176 -1.928 -8.198 1.00 0.00 C ATOM 424 O THR A 28 3.673 -2.486 -9.174 1.00 0.00 O ATOM 425 CB THR A 28 3.533 -2.794 -5.948 1.00 0.00 C ATOM 426 OG1 THR A 28 2.269 -3.162 -5.384 1.00 0.00 O ATOM 427 CG2 THR A 28 4.493 -2.395 -4.837 1.00 0.00 C ATOM 0 H THR A 28 1.538 -2.198 -7.851 1.00 0.00 H new ATOM 0 HA THR A 28 3.692 -0.712 -6.495 1.00 0.00 H new ATOM 0 HB THR A 28 3.954 -3.646 -6.482 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.724 -3.607 -6.066 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.609 -3.225 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.463 -2.144 -5.267 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.096 -1.529 -4.307 1.00 0.00 H new ATOM 435 N ILE A 29 5.448 -1.544 -8.159 1.00 0.00 N ATOM 436 CA ILE A 29 6.346 -1.763 -9.285 1.00 0.00 C ATOM 437 C ILE A 29 7.603 -2.509 -8.850 1.00 0.00 C ATOM 438 O ILE A 29 8.110 -2.298 -7.748 1.00 0.00 O ATOM 439 CB ILE A 29 6.755 -0.433 -9.946 1.00 0.00 C ATOM 440 CG1 ILE A 29 5.526 0.276 -10.518 1.00 0.00 C ATOM 441 CG2 ILE A 29 7.787 -0.679 -11.036 1.00 0.00 C ATOM 442 CD1 ILE A 29 4.811 -0.521 -11.586 1.00 0.00 C ATOM 0 H ILE A 29 5.879 -1.080 -7.360 1.00 0.00 H new ATOM 0 HA ILE A 29 5.801 -2.367 -10.010 1.00 0.00 H new ATOM 0 HB ILE A 29 7.202 0.210 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.829 0.489 -9.707 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.832 1.235 -10.936 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.066 0.270 -11.494 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.671 -1.146 -10.602 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.365 -1.338 -11.795 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.950 0.043 -11.946 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.492 -0.711 -12.415 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.474 -1.470 -11.168 1.00 0.00 H new ATOM 454 N GLN A 30 8.101 -3.379 -9.722 1.00 0.00 N ATOM 455 CA GLN A 30 9.300 -4.154 -9.427 1.00 0.00 C ATOM 456 C GLN A 30 10.382 -3.901 -10.471 1.00 0.00 C ATOM 457 O GLN A 30 10.313 -4.415 -11.587 1.00 0.00 O ATOM 458 CB GLN A 30 8.966 -5.646 -9.373 1.00 0.00 C ATOM 459 CG GLN A 30 8.808 -6.183 -7.959 1.00 0.00 C ATOM 460 CD GLN A 30 9.786 -7.298 -7.645 1.00 0.00 C ATOM 461 OE1 GLN A 30 10.159 -8.077 -8.522 1.00 0.00 O ATOM 462 NE2 GLN A 30 10.208 -7.379 -6.388 1.00 0.00 N ATOM 0 H GLN A 30 7.693 -3.565 -10.638 1.00 0.00 H new ATOM 0 HA GLN A 30 9.678 -3.837 -8.455 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.043 -5.824 -9.925 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.753 -6.205 -9.879 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.950 -5.369 -7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.790 -6.549 -7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.872 -6.712 -5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.868 -8.108 -6.117 1.00 0.00 H new ATOM 471 N GLN A 31 11.381 -3.106 -10.100 1.00 0.00 N ATOM 472 CA GLN A 31 12.477 -2.785 -11.006 1.00 0.00 C ATOM 473 C GLN A 31 13.577 -3.839 -10.925 1.00 0.00 C ATOM 474 O GLN A 31 14.399 -3.825 -10.008 1.00 0.00 O ATOM 475 CB GLN A 31 13.051 -1.406 -10.676 1.00 0.00 C ATOM 476 CG GLN A 31 13.222 -0.511 -11.893 1.00 0.00 C ATOM 477 CD GLN A 31 14.424 0.406 -11.779 1.00 0.00 C ATOM 478 OE1 GLN A 31 15.429 0.219 -12.466 1.00 0.00 O ATOM 479 NE2 GLN A 31 14.328 1.404 -10.909 1.00 0.00 N ATOM 0 H GLN A 31 11.454 -2.673 -9.179 1.00 0.00 H new ATOM 0 HA GLN A 31 12.084 -2.774 -12.023 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.395 -0.910 -9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.018 -1.531 -10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.326 -1.131 -12.783 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.323 0.090 -12.026 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.476 1.522 -10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.106 2.053 -10.789 1.00 0.00 H new ATOM 536 N SER A 35 23.499 -7.800 -13.511 1.00 0.00 N ATOM 537 CA SER A 35 24.663 -7.446 -14.315 1.00 0.00 C ATOM 538 C SER A 35 25.363 -8.697 -14.838 1.00 0.00 C ATOM 539 O SER A 35 26.208 -9.280 -14.158 1.00 0.00 O ATOM 540 CB SER A 35 25.642 -6.608 -13.490 1.00 0.00 C ATOM 541 OG SER A 35 24.981 -5.957 -12.419 1.00 0.00 O ATOM 0 HA SER A 35 24.321 -6.859 -15.167 1.00 0.00 H new ATOM 0 HB2 SER A 35 26.432 -7.248 -13.098 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.120 -5.867 -14.130 1.00 0.00 H new ATOM 0 HG SER A 35 24.111 -6.381 -12.265 1.00 0.00 H new ATOM 547 N ASP A 36 25.004 -9.104 -16.051 1.00 0.00 N ATOM 548 CA ASP A 36 25.597 -10.284 -16.668 1.00 0.00 C ATOM 549 C ASP A 36 26.967 -9.961 -17.255 1.00 0.00 C ATOM 550 O ASP A 36 27.109 -9.035 -18.054 1.00 0.00 O ATOM 551 CB ASP A 36 24.677 -10.832 -17.760 1.00 0.00 C ATOM 552 CG ASP A 36 25.448 -11.428 -18.922 1.00 0.00 C ATOM 553 OD1 ASP A 36 26.354 -12.251 -18.673 1.00 0.00 O ATOM 554 OD2 ASP A 36 25.145 -11.072 -20.079 1.00 0.00 O ATOM 0 H ASP A 36 24.305 -8.634 -16.626 1.00 0.00 H new ATOM 0 HA ASP A 36 25.723 -11.042 -15.895 1.00 0.00 H new ATOM 0 HB2 ASP A 36 24.024 -11.593 -17.333 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.035 -10.031 -18.126 1.00 0.00 H new ATOM 559 N VAL A 37 27.974 -10.729 -16.852 1.00 0.00 N ATOM 560 CA VAL A 37 29.334 -10.524 -17.338 1.00 0.00 C ATOM 561 C VAL A 37 29.664 -11.489 -18.471 1.00 0.00 C ATOM 562 O VAL A 37 29.589 -12.707 -18.304 1.00 0.00 O ATOM 563 CB VAL A 37 30.366 -10.704 -16.209 1.00 0.00 C ATOM 564 CG1 VAL A 37 31.741 -10.236 -16.663 1.00 0.00 C ATOM 565 CG2 VAL A 37 29.925 -9.955 -14.960 1.00 0.00 C ATOM 0 H VAL A 37 27.874 -11.499 -16.190 1.00 0.00 H new ATOM 0 HA VAL A 37 29.387 -9.501 -17.709 1.00 0.00 H new ATOM 0 HB VAL A 37 30.431 -11.764 -15.965 1.00 0.00 H new ATOM 0 HG11 VAL A 37 32.457 -10.371 -15.852 1.00 0.00 H new ATOM 0 HG12 VAL A 37 32.057 -10.820 -17.527 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.695 -9.181 -16.935 1.00 0.00 H new ATOM 0 HG21 VAL A 37 30.666 -10.093 -14.172 1.00 0.00 H new ATOM 0 HG22 VAL A 37 29.830 -8.893 -15.187 1.00 0.00 H new ATOM 0 HG23 VAL A 37 28.963 -10.342 -14.625 1.00 0.00 H new ATOM 575 N TRP A 38 30.029 -10.938 -19.622 1.00 0.00 N ATOM 576 CA TRP A 38 30.371 -11.750 -20.784 1.00 0.00 C ATOM 577 C TRP A 38 31.706 -11.316 -21.379 1.00 0.00 C ATOM 578 O TRP A 38 32.026 -10.126 -21.408 1.00 0.00 O ATOM 579 CB TRP A 38 29.271 -11.652 -21.843 1.00 0.00 C ATOM 580 CG TRP A 38 28.478 -10.383 -21.759 1.00 0.00 C ATOM 581 CD1 TRP A 38 27.739 -9.947 -20.697 1.00 0.00 C ATOM 582 CD2 TRP A 38 28.345 -9.387 -22.780 1.00 0.00 C ATOM 583 NE1 TRP A 38 27.153 -8.740 -20.996 1.00 0.00 N ATOM 584 CE2 TRP A 38 27.510 -8.375 -22.267 1.00 0.00 C ATOM 585 CE3 TRP A 38 28.851 -9.251 -24.075 1.00 0.00 C ATOM 586 CZ2 TRP A 38 27.171 -7.245 -23.006 1.00 0.00 C ATOM 587 CZ3 TRP A 38 28.513 -8.129 -24.808 1.00 0.00 C ATOM 588 CH2 TRP A 38 27.680 -7.138 -24.272 1.00 0.00 C ATOM 0 H TRP A 38 30.096 -9.932 -19.776 1.00 0.00 H new ATOM 0 HA TRP A 38 30.460 -12.786 -20.457 1.00 0.00 H new ATOM 0 HB2 TRP A 38 29.722 -11.726 -22.833 1.00 0.00 H new ATOM 0 HB3 TRP A 38 28.596 -12.501 -21.736 1.00 0.00 H new ATOM 0 HD1 TRP A 38 27.631 -10.473 -19.760 1.00 0.00 H new ATOM 0 HE1 TRP A 38 26.550 -8.203 -20.372 1.00 0.00 H new ATOM 0 HE3 TRP A 38 29.495 -10.009 -24.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 26.529 -6.480 -22.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 28.897 -8.014 -25.811 1.00 0.00 H new ATOM 0 HH2 TRP A 38 27.435 -6.273 -24.870 1.00 0.00 H new ATOM 599 N LEU A 39 32.482 -12.285 -21.851 1.00 0.00 N ATOM 600 CA LEU A 39 33.784 -12.001 -22.445 1.00 0.00 C ATOM 601 C LEU A 39 33.804 -12.386 -23.921 1.00 0.00 C ATOM 602 O LEU A 39 33.064 -13.270 -24.353 1.00 0.00 O ATOM 603 CB LEU A 39 34.884 -12.755 -21.695 1.00 0.00 C ATOM 604 CG LEU A 39 36.255 -12.788 -22.371 1.00 0.00 C ATOM 605 CD1 LEU A 39 36.870 -11.397 -22.399 1.00 0.00 C ATOM 606 CD2 LEU A 39 37.177 -13.766 -21.659 1.00 0.00 C ATOM 0 H LEU A 39 32.233 -13.274 -21.834 1.00 0.00 H new ATOM 0 HA LEU A 39 33.967 -10.929 -22.365 1.00 0.00 H new ATOM 0 HB2 LEU A 39 34.998 -12.305 -20.709 1.00 0.00 H new ATOM 0 HB3 LEU A 39 34.552 -13.782 -21.540 1.00 0.00 H new ATOM 0 HG LEU A 39 36.124 -13.126 -23.399 1.00 0.00 H new ATOM 0 HD11 LEU A 39 37.845 -11.440 -22.884 1.00 0.00 H new ATOM 0 HD12 LEU A 39 36.218 -10.722 -22.954 1.00 0.00 H new ATOM 0 HD13 LEU A 39 36.988 -11.031 -21.379 1.00 0.00 H new ATOM 0 HD21 LEU A 39 38.148 -13.776 -22.154 1.00 0.00 H new ATOM 0 HD22 LEU A 39 37.302 -13.458 -20.621 1.00 0.00 H new ATOM 0 HD23 LEU A 39 36.743 -14.765 -21.692 1.00 0.00 H new ATOM 618 N ALA A 40 34.656 -11.717 -24.690 1.00 0.00 N ATOM 619 CA ALA A 40 34.776 -11.992 -26.117 1.00 0.00 C ATOM 620 C ALA A 40 35.975 -12.889 -26.405 1.00 0.00 C ATOM 621 O ALA A 40 35.955 -13.685 -27.344 1.00 0.00 O ATOM 622 CB ALA A 40 34.889 -10.690 -26.897 1.00 0.00 C ATOM 0 H ALA A 40 35.274 -10.980 -24.349 1.00 0.00 H new ATOM 0 HA ALA A 40 33.877 -12.519 -26.437 1.00 0.00 H new ATOM 0 HB1 ALA A 40 34.978 -10.910 -27.961 1.00 0.00 H new ATOM 0 HB2 ALA A 40 33.999 -10.084 -26.725 1.00 0.00 H new ATOM 0 HB3 ALA A 40 35.771 -10.142 -26.565 1.00 0.00 H new ATOM 628 N ASP A 41 37.017 -12.755 -25.592 1.00 0.00 N ATOM 629 CA ASP A 41 38.225 -13.554 -25.759 1.00 0.00 C ATOM 630 C ASP A 41 38.108 -14.879 -25.012 1.00 0.00 C ATOM 631 O ASP A 41 38.529 -14.992 -23.861 1.00 0.00 O ATOM 632 CB ASP A 41 39.447 -12.780 -25.261 1.00 0.00 C ATOM 633 CG ASP A 41 40.751 -13.383 -25.746 1.00 0.00 C ATOM 634 OD1 ASP A 41 40.705 -14.441 -26.409 1.00 0.00 O ATOM 635 OD2 ASP A 41 41.817 -12.798 -25.462 1.00 0.00 O ATOM 0 H ASP A 41 37.049 -12.100 -24.811 1.00 0.00 H new ATOM 0 HA ASP A 41 38.347 -13.766 -26.821 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.381 -11.746 -25.598 1.00 0.00 H new ATOM 0 HB3 ASP A 41 39.442 -12.761 -24.171 1.00 0.00 H new ATOM 640 N GLU A 42 37.532 -15.877 -25.674 1.00 0.00 N ATOM 641 CA GLU A 42 37.358 -17.193 -25.071 1.00 0.00 C ATOM 642 C GLU A 42 38.666 -17.691 -24.463 1.00 0.00 C ATOM 643 O GLU A 42 38.686 -18.217 -23.350 1.00 0.00 O ATOM 644 CB GLU A 42 36.854 -18.194 -26.113 1.00 0.00 C ATOM 645 CG GLU A 42 35.440 -17.914 -26.593 1.00 0.00 C ATOM 646 CD GLU A 42 35.018 -18.824 -27.730 1.00 0.00 C ATOM 647 OE1 GLU A 42 35.902 -19.278 -28.486 1.00 0.00 O ATOM 648 OE2 GLU A 42 33.803 -19.081 -27.864 1.00 0.00 O ATOM 0 H GLU A 42 37.178 -15.799 -26.627 1.00 0.00 H new ATOM 0 HA GLU A 42 36.618 -17.104 -24.275 1.00 0.00 H new ATOM 0 HB2 GLU A 42 37.528 -18.184 -26.970 1.00 0.00 H new ATOM 0 HB3 GLU A 42 36.893 -19.197 -25.689 1.00 0.00 H new ATOM 0 HG2 GLU A 42 34.747 -18.035 -25.760 1.00 0.00 H new ATOM 0 HG3 GLU A 42 35.370 -16.876 -26.918 1.00 0.00 H new ATOM 655 N SER A 43 39.758 -17.520 -25.202 1.00 0.00 N ATOM 656 CA SER A 43 41.070 -17.955 -24.739 1.00 0.00 C ATOM 657 C SER A 43 41.392 -17.352 -23.376 1.00 0.00 C ATOM 658 O SER A 43 42.079 -17.966 -22.560 1.00 0.00 O ATOM 659 CB SER A 43 42.148 -17.562 -25.751 1.00 0.00 C ATOM 660 OG SER A 43 43.214 -18.495 -25.749 1.00 0.00 O ATOM 0 H SER A 43 39.760 -17.083 -26.124 1.00 0.00 H new ATOM 0 HA SER A 43 41.052 -19.041 -24.642 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.712 -17.506 -26.748 1.00 0.00 H new ATOM 0 HB3 SER A 43 42.529 -16.569 -25.514 1.00 0.00 H new ATOM 0 HG SER A 43 43.889 -18.222 -26.405 1.00 0.00 H new ATOM 666 N GLN A 44 40.891 -16.144 -23.137 1.00 0.00 N ATOM 667 CA GLN A 44 41.126 -15.456 -21.873 1.00 0.00 C ATOM 668 C GLN A 44 40.037 -15.793 -20.859 1.00 0.00 C ATOM 669 O GLN A 44 40.179 -15.519 -19.668 1.00 0.00 O ATOM 670 CB GLN A 44 41.183 -13.944 -22.094 1.00 0.00 C ATOM 671 CG GLN A 44 42.431 -13.292 -21.521 1.00 0.00 C ATOM 672 CD GLN A 44 43.708 -13.948 -22.008 1.00 0.00 C ATOM 673 OE1 GLN A 44 43.807 -14.358 -23.165 1.00 0.00 O ATOM 674 NE2 GLN A 44 44.695 -14.050 -21.126 1.00 0.00 N ATOM 0 H GLN A 44 40.320 -15.622 -23.802 1.00 0.00 H new ATOM 0 HA GLN A 44 42.083 -15.794 -21.477 1.00 0.00 H new ATOM 0 HB2 GLN A 44 41.135 -13.739 -23.164 1.00 0.00 H new ATOM 0 HB3 GLN A 44 40.303 -13.486 -21.642 1.00 0.00 H new ATOM 0 HG2 GLN A 44 42.443 -12.237 -21.793 1.00 0.00 H new ATOM 0 HG3 GLN A 44 42.394 -13.340 -20.433 1.00 0.00 H new ATOM 0 HE21 GLN A 44 44.570 -13.697 -20.177 1.00 0.00 H new ATOM 0 HE22 GLN A 44 45.579 -14.482 -21.397 1.00 0.00 H new ATOM 683 N ALA A 45 38.951 -16.388 -21.341 1.00 0.00 N ATOM 684 CA ALA A 45 37.839 -16.764 -20.476 1.00 0.00 C ATOM 685 C ALA A 45 38.329 -17.535 -19.256 1.00 0.00 C ATOM 686 O ALA A 45 37.786 -17.392 -18.161 1.00 0.00 O ATOM 687 CB ALA A 45 36.823 -17.589 -21.252 1.00 0.00 C ATOM 0 H ALA A 45 38.817 -16.620 -22.325 1.00 0.00 H new ATOM 0 HA ALA A 45 37.358 -15.851 -20.126 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.998 -17.863 -20.594 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.441 -17.003 -22.088 1.00 0.00 H new ATOM 0 HB3 ALA A 45 37.301 -18.493 -21.630 1.00 0.00 H new ATOM 693 N GLU A 46 39.358 -18.354 -19.452 1.00 0.00 N ATOM 694 CA GLU A 46 39.919 -19.149 -18.366 1.00 0.00 C ATOM 695 C GLU A 46 40.572 -18.254 -17.317 1.00 0.00 C ATOM 696 O GLU A 46 40.312 -18.389 -16.121 1.00 0.00 O ATOM 697 CB GLU A 46 40.944 -20.146 -18.911 1.00 0.00 C ATOM 698 CG GLU A 46 40.419 -20.992 -20.059 1.00 0.00 C ATOM 699 CD GLU A 46 41.233 -22.254 -20.272 1.00 0.00 C ATOM 700 OE1 GLU A 46 40.934 -23.271 -19.613 1.00 0.00 O ATOM 701 OE2 GLU A 46 42.168 -22.224 -21.100 1.00 0.00 O ATOM 0 H GLU A 46 39.820 -18.484 -20.352 1.00 0.00 H new ATOM 0 HA GLU A 46 39.104 -19.698 -17.894 1.00 0.00 H new ATOM 0 HB2 GLU A 46 41.826 -19.601 -19.246 1.00 0.00 H new ATOM 0 HB3 GLU A 46 41.264 -20.804 -18.103 1.00 0.00 H new ATOM 0 HG2 GLU A 46 39.382 -21.262 -19.862 1.00 0.00 H new ATOM 0 HG3 GLU A 46 40.426 -20.400 -20.974 1.00 0.00 H new ATOM 708 N ARG A 47 41.420 -17.339 -17.774 1.00 0.00 N ATOM 709 CA ARG A 47 42.112 -16.422 -16.876 1.00 0.00 C ATOM 710 C ARG A 47 41.115 -15.612 -16.053 1.00 0.00 C ATOM 711 O ARG A 47 41.173 -15.602 -14.823 1.00 0.00 O ATOM 712 CB ARG A 47 43.017 -15.480 -17.673 1.00 0.00 C ATOM 713 CG ARG A 47 43.728 -14.448 -16.813 1.00 0.00 C ATOM 714 CD ARG A 47 43.022 -13.102 -16.859 1.00 0.00 C ATOM 715 NE ARG A 47 43.609 -12.143 -15.927 1.00 0.00 N ATOM 716 CZ ARG A 47 44.771 -11.535 -16.133 1.00 0.00 C ATOM 717 NH1 ARG A 47 45.468 -11.784 -17.233 1.00 0.00 N ATOM 718 NH2 ARG A 47 45.240 -10.675 -15.237 1.00 0.00 N ATOM 0 H ARG A 47 41.645 -17.213 -18.761 1.00 0.00 H new ATOM 0 HA ARG A 47 42.724 -17.013 -16.195 1.00 0.00 H new ATOM 0 HB2 ARG A 47 43.761 -16.070 -18.207 1.00 0.00 H new ATOM 0 HB3 ARG A 47 42.419 -14.965 -18.425 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.774 -14.801 -15.783 1.00 0.00 H new ATOM 0 HG3 ARG A 47 44.756 -14.333 -17.156 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.072 -12.701 -17.871 1.00 0.00 H new ATOM 0 HD3 ARG A 47 41.967 -13.238 -16.622 1.00 0.00 H new ATOM 0 HE ARG A 47 43.098 -11.929 -15.071 1.00 0.00 H new ATOM 0 HH11 ARG A 47 45.112 -12.444 -17.924 1.00 0.00 H new ATOM 0 HH12 ARG A 47 46.360 -11.315 -17.388 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.707 -10.481 -14.389 1.00 0.00 H new ATOM 0 HH22 ARG A 47 46.133 -10.209 -15.396 1.00 0.00 H new ATOM 732 N VAL A 48 40.201 -14.934 -16.739 1.00 0.00 N ATOM 733 CA VAL A 48 39.191 -14.121 -16.071 1.00 0.00 C ATOM 734 C VAL A 48 38.401 -14.947 -15.062 1.00 0.00 C ATOM 735 O VAL A 48 38.079 -14.472 -13.973 1.00 0.00 O ATOM 736 CB VAL A 48 38.214 -13.497 -17.085 1.00 0.00 C ATOM 737 CG1 VAL A 48 38.931 -12.484 -17.965 1.00 0.00 C ATOM 738 CG2 VAL A 48 37.558 -14.579 -17.929 1.00 0.00 C ATOM 0 H VAL A 48 40.139 -14.931 -17.757 1.00 0.00 H new ATOM 0 HA VAL A 48 39.720 -13.324 -15.549 1.00 0.00 H new ATOM 0 HB VAL A 48 37.432 -12.974 -16.534 1.00 0.00 H new ATOM 0 HG11 VAL A 48 38.224 -12.054 -18.675 1.00 0.00 H new ATOM 0 HG12 VAL A 48 39.348 -11.692 -17.343 1.00 0.00 H new ATOM 0 HG13 VAL A 48 39.735 -12.979 -18.509 1.00 0.00 H new ATOM 0 HG21 VAL A 48 36.871 -14.120 -18.640 1.00 0.00 H new ATOM 0 HG22 VAL A 48 38.325 -15.132 -18.471 1.00 0.00 H new ATOM 0 HG23 VAL A 48 37.007 -15.262 -17.282 1.00 0.00 H new ATOM 748 N ARG A 49 38.092 -16.186 -15.431 1.00 0.00 N ATOM 749 CA ARG A 49 37.339 -17.078 -14.558 1.00 0.00 C ATOM 750 C ARG A 49 38.061 -17.275 -13.229 1.00 0.00 C ATOM 751 O ARG A 49 37.467 -17.126 -12.161 1.00 0.00 O ATOM 752 CB ARG A 49 37.123 -18.430 -15.239 1.00 0.00 C ATOM 753 CG ARG A 49 35.811 -18.527 -16.001 1.00 0.00 C ATOM 754 CD ARG A 49 35.940 -19.427 -17.220 1.00 0.00 C ATOM 755 NE ARG A 49 35.046 -20.579 -17.147 1.00 0.00 N ATOM 756 CZ ARG A 49 34.951 -21.497 -18.102 1.00 0.00 C ATOM 757 NH1 ARG A 49 35.691 -21.398 -19.198 1.00 0.00 N ATOM 758 NH2 ARG A 49 34.115 -22.518 -17.962 1.00 0.00 N ATOM 0 H ARG A 49 38.352 -16.595 -16.329 1.00 0.00 H new ATOM 0 HA ARG A 49 36.370 -16.620 -14.361 1.00 0.00 H new ATOM 0 HB2 ARG A 49 37.947 -18.616 -15.927 1.00 0.00 H new ATOM 0 HB3 ARG A 49 37.154 -19.216 -14.485 1.00 0.00 H new ATOM 0 HG2 ARG A 49 35.034 -18.914 -15.342 1.00 0.00 H new ATOM 0 HG3 ARG A 49 35.496 -17.531 -16.314 1.00 0.00 H new ATOM 0 HD2 ARG A 49 35.718 -18.853 -18.120 1.00 0.00 H new ATOM 0 HD3 ARG A 49 36.970 -19.773 -17.308 1.00 0.00 H new ATOM 0 HE ARG A 49 34.462 -20.685 -16.317 1.00 0.00 H new ATOM 0 HH11 ARG A 49 36.335 -20.615 -19.309 1.00 0.00 H new ATOM 0 HH12 ARG A 49 35.616 -22.105 -19.930 1.00 0.00 H new ATOM 0 HH21 ARG A 49 33.545 -22.598 -17.120 1.00 0.00 H new ATOM 0 HH22 ARG A 49 34.043 -23.222 -18.696 1.00 0.00 H new ATOM 772 N ALA A 50 39.345 -17.610 -13.303 1.00 0.00 N ATOM 773 CA ALA A 50 40.148 -17.826 -12.106 1.00 0.00 C ATOM 774 C ALA A 50 40.192 -16.571 -11.241 1.00 0.00 C ATOM 775 O ALA A 50 39.796 -16.595 -10.076 1.00 0.00 O ATOM 776 CB ALA A 50 41.556 -18.258 -12.486 1.00 0.00 C ATOM 0 H ALA A 50 39.851 -17.738 -14.179 1.00 0.00 H new ATOM 0 HA ALA A 50 39.681 -18.620 -11.524 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.145 -18.416 -11.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.510 -19.186 -13.056 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.023 -17.482 -13.093 1.00 0.00 H new ATOM 782 N GLU A 51 40.678 -15.477 -11.818 1.00 0.00 N ATOM 783 CA GLU A 51 40.775 -14.212 -11.098 1.00 0.00 C ATOM 784 C GLU A 51 39.418 -13.803 -10.532 1.00 0.00 C ATOM 785 O GLU A 51 39.310 -13.415 -9.368 1.00 0.00 O ATOM 786 CB GLU A 51 41.308 -13.114 -12.021 1.00 0.00 C ATOM 787 CG GLU A 51 42.604 -13.484 -12.722 1.00 0.00 C ATOM 788 CD GLU A 51 43.545 -14.272 -11.831 1.00 0.00 C ATOM 789 OE1 GLU A 51 43.820 -13.809 -10.704 1.00 0.00 O ATOM 790 OE2 GLU A 51 44.006 -15.350 -12.260 1.00 0.00 O ATOM 0 H GLU A 51 41.011 -15.441 -12.782 1.00 0.00 H new ATOM 0 HA GLU A 51 41.469 -14.347 -10.269 1.00 0.00 H new ATOM 0 HB2 GLU A 51 40.552 -12.883 -12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 51 41.466 -12.206 -11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.377 -14.070 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.103 -12.575 -13.058 1.00 0.00 H new ATOM 797 N LEU A 52 38.386 -13.892 -11.364 1.00 0.00 N ATOM 798 CA LEU A 52 37.035 -13.530 -10.948 1.00 0.00 C ATOM 799 C LEU A 52 36.656 -14.240 -9.652 1.00 0.00 C ATOM 800 O LEU A 52 36.272 -13.601 -8.673 1.00 0.00 O ATOM 801 CB LEU A 52 36.031 -13.881 -12.047 1.00 0.00 C ATOM 802 CG LEU A 52 34.587 -13.441 -11.802 1.00 0.00 C ATOM 803 CD1 LEU A 52 33.858 -13.244 -13.122 1.00 0.00 C ATOM 804 CD2 LEU A 52 33.859 -14.459 -10.936 1.00 0.00 C ATOM 0 H LEU A 52 38.459 -14.211 -12.330 1.00 0.00 H new ATOM 0 HA LEU A 52 37.011 -12.455 -10.772 1.00 0.00 H new ATOM 0 HB2 LEU A 52 36.373 -13.433 -12.980 1.00 0.00 H new ATOM 0 HB3 LEU A 52 36.041 -14.962 -12.189 1.00 0.00 H new ATOM 0 HG LEU A 52 34.603 -12.488 -11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 52 32.832 -12.931 -12.928 1.00 0.00 H new ATOM 0 HD12 LEU A 52 34.366 -12.478 -13.708 1.00 0.00 H new ATOM 0 HD13 LEU A 52 33.852 -14.182 -13.678 1.00 0.00 H new ATOM 0 HD21 LEU A 52 32.833 -14.130 -10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 52 33.854 -15.426 -11.438 1.00 0.00 H new ATOM 0 HD23 LEU A 52 34.368 -14.551 -9.977 1.00 0.00 H new ATOM 816 N ALA A 53 36.769 -15.564 -9.653 1.00 0.00 N ATOM 817 CA ALA A 53 36.443 -16.360 -8.477 1.00 0.00 C ATOM 818 C ALA A 53 37.306 -15.958 -7.285 1.00 0.00 C ATOM 819 O ALA A 53 36.842 -15.950 -6.145 1.00 0.00 O ATOM 820 CB ALA A 53 36.612 -17.841 -8.778 1.00 0.00 C ATOM 0 H ALA A 53 37.084 -16.108 -10.456 1.00 0.00 H new ATOM 0 HA ALA A 53 35.401 -16.170 -8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 53 36.365 -18.423 -7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 53 35.948 -18.124 -9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 53 37.645 -18.038 -9.065 1.00 0.00 H new ATOM 826 N ARG A 54 38.564 -15.626 -7.557 1.00 0.00 N ATOM 827 CA ARG A 54 39.492 -15.225 -6.507 1.00 0.00 C ATOM 828 C ARG A 54 39.125 -13.852 -5.952 1.00 0.00 C ATOM 829 O ARG A 54 39.461 -13.521 -4.815 1.00 0.00 O ATOM 830 CB ARG A 54 40.924 -15.204 -7.044 1.00 0.00 C ATOM 831 CG ARG A 54 41.587 -16.572 -7.067 1.00 0.00 C ATOM 832 CD ARG A 54 42.897 -16.544 -7.838 1.00 0.00 C ATOM 833 NE ARG A 54 43.766 -17.663 -7.483 1.00 0.00 N ATOM 834 CZ ARG A 54 44.931 -17.905 -8.073 1.00 0.00 C ATOM 835 NH1 ARG A 54 45.364 -17.111 -9.042 1.00 0.00 N ATOM 836 NH2 ARG A 54 45.665 -18.943 -7.694 1.00 0.00 N ATOM 0 H ARG A 54 38.964 -15.627 -8.495 1.00 0.00 H new ATOM 0 HA ARG A 54 39.425 -15.954 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.918 -14.796 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 54 41.523 -14.530 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 54 41.772 -16.905 -6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.912 -17.297 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 54 42.689 -16.572 -8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 54 43.415 -15.606 -7.639 1.00 0.00 H new ATOM 0 HE ARG A 54 43.461 -18.293 -6.741 1.00 0.00 H new ATOM 0 HH11 ARG A 54 44.802 -16.312 -9.336 1.00 0.00 H new ATOM 0 HH12 ARG A 54 46.259 -17.299 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 54 45.335 -19.556 -6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 54 46.560 -19.128 -8.148 1.00 0.00 H new ATOM 850 N PHE A 55 38.435 -13.057 -6.763 1.00 0.00 N ATOM 851 CA PHE A 55 38.024 -11.719 -6.353 1.00 0.00 C ATOM 852 C PHE A 55 36.693 -11.763 -5.608 1.00 0.00 C ATOM 853 O PHE A 55 36.517 -11.095 -4.589 1.00 0.00 O ATOM 854 CB PHE A 55 37.908 -10.803 -7.573 1.00 0.00 C ATOM 855 CG PHE A 55 38.116 -9.350 -7.254 1.00 0.00 C ATOM 856 CD1 PHE A 55 39.320 -8.908 -6.730 1.00 0.00 C ATOM 857 CD2 PHE A 55 37.108 -8.426 -7.478 1.00 0.00 C ATOM 858 CE1 PHE A 55 39.514 -7.572 -6.434 1.00 0.00 C ATOM 859 CE2 PHE A 55 37.296 -7.089 -7.184 1.00 0.00 C ATOM 860 CZ PHE A 55 38.502 -6.661 -6.662 1.00 0.00 C ATOM 0 H PHE A 55 38.149 -13.316 -7.707 1.00 0.00 H new ATOM 0 HA PHE A 55 38.784 -11.323 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 55 38.640 -11.111 -8.320 1.00 0.00 H new ATOM 0 HB3 PHE A 55 36.923 -10.931 -8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 55 40.116 -9.616 -6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 55 36.164 -8.755 -7.887 1.00 0.00 H new ATOM 0 HE1 PHE A 55 40.457 -7.241 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 55 36.502 -6.379 -7.362 1.00 0.00 H new ATOM 0 HZ PHE A 55 38.652 -5.616 -6.433 1.00 0.00 H new ATOM 989 N MET B 1 31.602 -14.920 -28.159 1.00 0.00 N ATOM 990 CA MET B 1 31.292 -14.344 -26.856 1.00 0.00 C ATOM 991 C MET B 1 30.876 -15.428 -25.867 1.00 0.00 C ATOM 992 O MET B 1 29.902 -16.148 -26.092 1.00 0.00 O ATOM 993 CB MET B 1 30.179 -13.303 -26.987 1.00 0.00 C ATOM 994 CG MET B 1 30.539 -12.139 -27.895 1.00 0.00 C ATOM 995 SD MET B 1 30.332 -10.539 -27.090 1.00 0.00 S ATOM 996 CE MET B 1 31.514 -10.679 -25.751 1.00 0.00 C ATOM 0 H1 MET B 1 32.204 -14.263 -28.695 1.00 0.00 H new ATOM 0 H2 MET B 1 32.104 -15.822 -28.029 1.00 0.00 H new ATOM 0 H3 MET B 1 30.720 -15.087 -28.684 1.00 0.00 H new ATOM 0 HA MET B 1 32.192 -13.858 -26.478 1.00 0.00 H new ATOM 0 HB2 MET B 1 29.282 -13.789 -27.371 1.00 0.00 H new ATOM 0 HB3 MET B 1 29.934 -12.918 -25.997 1.00 0.00 H new ATOM 0 HG2 MET B 1 31.573 -12.245 -28.222 1.00 0.00 H new ATOM 0 HG3 MET B 1 29.916 -12.175 -28.789 1.00 0.00 H new ATOM 0 HE1 MET B 1 31.994 -9.714 -25.587 1.00 0.00 H new ATOM 0 HE2 MET B 1 30.999 -10.987 -24.841 1.00 0.00 H new ATOM 0 HE3 MET B 1 32.270 -11.421 -26.009 1.00 0.00 H new ATOM 1006 N LEU B 2 31.620 -15.541 -24.772 1.00 0.00 N ATOM 1007 CA LEU B 2 31.328 -16.538 -23.748 1.00 0.00 C ATOM 1008 C LEU B 2 31.047 -15.873 -22.404 1.00 0.00 C ATOM 1009 O LEU B 2 31.875 -15.125 -21.886 1.00 0.00 O ATOM 1010 CB LEU B 2 32.498 -17.515 -23.612 1.00 0.00 C ATOM 1011 CG LEU B 2 32.347 -18.598 -22.543 1.00 0.00 C ATOM 1012 CD1 LEU B 2 31.021 -19.325 -22.703 1.00 0.00 C ATOM 1013 CD2 LEU B 2 33.507 -19.580 -22.611 1.00 0.00 C ATOM 0 H LEU B 2 32.430 -14.955 -24.571 1.00 0.00 H new ATOM 0 HA LEU B 2 30.437 -17.087 -24.054 1.00 0.00 H new ATOM 0 HB2 LEU B 2 32.652 -18.002 -24.575 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.400 -16.943 -23.396 1.00 0.00 H new ATOM 0 HG LEU B 2 32.359 -18.119 -21.564 1.00 0.00 H new ATOM 0 HD11 LEU B 2 30.931 -20.092 -21.934 1.00 0.00 H new ATOM 0 HD12 LEU B 2 30.201 -18.613 -22.603 1.00 0.00 H new ATOM 0 HD13 LEU B 2 30.978 -19.792 -23.687 1.00 0.00 H new ATOM 0 HD21 LEU B 2 33.383 -20.344 -21.843 1.00 0.00 H new ATOM 0 HD22 LEU B 2 33.526 -20.053 -23.593 1.00 0.00 H new ATOM 0 HD23 LEU B 2 34.444 -19.048 -22.446 1.00 0.00 H new ATOM 1025 N MET B 3 29.874 -16.154 -21.845 1.00 0.00 N ATOM 1026 CA MET B 3 29.486 -15.585 -20.560 1.00 0.00 C ATOM 1027 C MET B 3 30.500 -15.943 -19.478 1.00 0.00 C ATOM 1028 O MET B 3 30.786 -17.118 -19.247 1.00 0.00 O ATOM 1029 CB MET B 3 28.096 -16.082 -20.157 1.00 0.00 C ATOM 1030 CG MET B 3 27.239 -15.018 -19.492 1.00 0.00 C ATOM 1031 SD MET B 3 25.864 -15.717 -18.558 1.00 0.00 S ATOM 1032 CE MET B 3 26.096 -14.925 -16.969 1.00 0.00 C ATOM 0 H MET B 3 29.177 -16.771 -22.261 1.00 0.00 H new ATOM 0 HA MET B 3 29.460 -14.500 -20.664 1.00 0.00 H new ATOM 0 HB2 MET B 3 27.580 -16.451 -21.044 1.00 0.00 H new ATOM 0 HB3 MET B 3 28.204 -16.927 -19.477 1.00 0.00 H new ATOM 0 HG2 MET B 3 27.861 -14.421 -18.824 1.00 0.00 H new ATOM 0 HG3 MET B 3 26.850 -14.342 -20.254 1.00 0.00 H new ATOM 0 HE1 MET B 3 25.155 -14.930 -16.419 1.00 0.00 H new ATOM 0 HE2 MET B 3 26.852 -15.466 -16.400 1.00 0.00 H new ATOM 0 HE3 MET B 3 26.423 -13.896 -17.120 1.00 0.00 H new ATOM 1042 N ILE B 4 31.041 -14.923 -18.819 1.00 0.00 N ATOM 1043 CA ILE B 4 32.022 -15.132 -17.762 1.00 0.00 C ATOM 1044 C ILE B 4 31.341 -15.439 -16.433 1.00 0.00 C ATOM 1045 O ILE B 4 31.715 -16.382 -15.734 1.00 0.00 O ATOM 1046 CB ILE B 4 32.932 -13.901 -17.588 1.00 0.00 C ATOM 1047 CG1 ILE B 4 33.788 -13.691 -18.838 1.00 0.00 C ATOM 1048 CG2 ILE B 4 33.811 -14.063 -16.357 1.00 0.00 C ATOM 1049 CD1 ILE B 4 34.597 -14.909 -19.228 1.00 0.00 C ATOM 0 H ILE B 4 30.816 -13.944 -18.999 1.00 0.00 H new ATOM 0 HA ILE B 4 32.631 -15.985 -18.060 1.00 0.00 H new ATOM 0 HB ILE B 4 32.305 -13.020 -17.449 1.00 0.00 H new ATOM 0 HG12 ILE B 4 33.140 -13.413 -19.670 1.00 0.00 H new ATOM 0 HG13 ILE B 4 34.465 -12.854 -18.668 1.00 0.00 H new ATOM 0 HG21 ILE B 4 34.448 -13.186 -16.247 1.00 0.00 H new ATOM 0 HG22 ILE B 4 33.183 -14.168 -15.473 1.00 0.00 H new ATOM 0 HG23 ILE B 4 34.433 -14.951 -16.468 1.00 0.00 H new ATOM 0 HD11 ILE B 4 35.179 -14.688 -20.122 1.00 0.00 H new ATOM 0 HD12 ILE B 4 35.270 -15.175 -18.413 1.00 0.00 H new ATOM 0 HD13 ILE B 4 33.925 -15.743 -19.430 1.00 0.00 H new ATOM 1061 N THR B 5 30.338 -14.638 -16.089 1.00 0.00 N ATOM 1062 CA THR B 5 29.604 -14.824 -14.844 1.00 0.00 C ATOM 1063 C THR B 5 28.377 -13.921 -14.788 1.00 0.00 C ATOM 1064 O THR B 5 28.073 -13.211 -15.747 1.00 0.00 O ATOM 1065 CB THR B 5 30.493 -14.539 -13.619 1.00 0.00 C ATOM 1066 OG1 THR B 5 29.888 -15.078 -12.438 1.00 0.00 O ATOM 1067 CG2 THR B 5 30.711 -13.043 -13.445 1.00 0.00 C ATOM 0 H THR B 5 30.015 -13.854 -16.656 1.00 0.00 H new ATOM 0 HA THR B 5 29.286 -15.866 -14.818 1.00 0.00 H new ATOM 0 HB THR B 5 31.460 -15.015 -13.781 1.00 0.00 H new ATOM 0 HG1 THR B 5 29.605 -14.345 -11.852 1.00 0.00 H new ATOM 0 HG21 THR B 5 31.342 -12.866 -12.574 1.00 0.00 H new ATOM 0 HG22 THR B 5 31.198 -12.641 -14.333 1.00 0.00 H new ATOM 0 HG23 THR B 5 29.750 -12.549 -13.303 1.00 0.00 H new ATOM 1075 N SER B 6 27.675 -13.952 -13.660 1.00 0.00 N ATOM 1076 CA SER B 6 26.479 -13.137 -13.481 1.00 0.00 C ATOM 1077 C SER B 6 26.492 -12.444 -12.122 1.00 0.00 C ATOM 1078 O SER B 6 26.626 -13.092 -11.083 1.00 0.00 O ATOM 1079 CB SER B 6 25.224 -14.002 -13.614 1.00 0.00 C ATOM 1080 OG SER B 6 24.476 -14.004 -12.410 1.00 0.00 O ATOM 0 H SER B 6 27.914 -14.533 -12.856 1.00 0.00 H new ATOM 0 HA SER B 6 26.469 -12.373 -14.258 1.00 0.00 H new ATOM 0 HB2 SER B 6 24.605 -13.628 -14.430 1.00 0.00 H new ATOM 0 HB3 SER B 6 25.507 -15.023 -13.871 1.00 0.00 H new ATOM 0 HG SER B 6 23.679 -14.563 -12.521 1.00 0.00 H new ATOM 1086 N PHE B 7 26.351 -11.123 -12.137 1.00 0.00 N ATOM 1087 CA PHE B 7 26.347 -10.340 -10.907 1.00 0.00 C ATOM 1088 C PHE B 7 24.987 -9.687 -10.682 1.00 0.00 C ATOM 1089 O PHE B 7 24.090 -9.792 -11.519 1.00 0.00 O ATOM 1090 CB PHE B 7 27.439 -9.269 -10.956 1.00 0.00 C ATOM 1091 CG PHE B 7 28.831 -9.829 -10.912 1.00 0.00 C ATOM 1092 CD1 PHE B 7 29.155 -10.847 -10.030 1.00 0.00 C ATOM 1093 CD2 PHE B 7 29.817 -9.338 -11.753 1.00 0.00 C ATOM 1094 CE1 PHE B 7 30.436 -11.364 -9.987 1.00 0.00 C ATOM 1095 CE2 PHE B 7 31.100 -9.851 -11.715 1.00 0.00 C ATOM 1096 CZ PHE B 7 31.409 -10.866 -10.831 1.00 0.00 C ATOM 0 H PHE B 7 26.238 -10.572 -12.988 1.00 0.00 H new ATOM 0 HA PHE B 7 26.547 -11.015 -10.075 1.00 0.00 H new ATOM 0 HB2 PHE B 7 27.321 -8.683 -11.867 1.00 0.00 H new ATOM 0 HB3 PHE B 7 27.304 -8.586 -10.117 1.00 0.00 H new ATOM 0 HD1 PHE B 7 28.398 -11.241 -9.368 1.00 0.00 H new ATOM 0 HD2 PHE B 7 29.580 -8.545 -12.447 1.00 0.00 H new ATOM 0 HE1 PHE B 7 30.676 -12.157 -9.294 1.00 0.00 H new ATOM 0 HE2 PHE B 7 31.859 -9.459 -12.375 1.00 0.00 H new ATOM 0 HZ PHE B 7 32.410 -11.270 -10.800 1.00 0.00 H new ATOM 1106 N ALA B 8 24.841 -9.013 -9.546 1.00 0.00 N ATOM 1107 CA ALA B 8 23.592 -8.341 -9.211 1.00 0.00 C ATOM 1108 C ALA B 8 23.852 -6.961 -8.619 1.00 0.00 C ATOM 1109 O ALA B 8 23.299 -6.607 -7.579 1.00 0.00 O ATOM 1110 CB ALA B 8 22.780 -9.189 -8.242 1.00 0.00 C ATOM 0 H ALA B 8 25.573 -8.918 -8.842 1.00 0.00 H new ATOM 0 HA ALA B 8 23.021 -8.211 -10.130 1.00 0.00 H new ATOM 0 HB1 ALA B 8 21.850 -8.675 -8.000 1.00 0.00 H new ATOM 0 HB2 ALA B 8 22.554 -10.151 -8.702 1.00 0.00 H new ATOM 0 HB3 ALA B 8 23.354 -9.349 -7.329 1.00 0.00 H new ATOM 1116 N ASN B 9 24.700 -6.185 -9.287 1.00 0.00 N ATOM 1117 CA ASN B 9 25.035 -4.843 -8.825 1.00 0.00 C ATOM 1118 C ASN B 9 25.958 -4.141 -9.817 1.00 0.00 C ATOM 1119 O ASN B 9 26.834 -4.754 -10.428 1.00 0.00 O ATOM 1120 CB ASN B 9 25.700 -4.906 -7.449 1.00 0.00 C ATOM 1121 CG ASN B 9 24.739 -4.563 -6.327 1.00 0.00 C ATOM 1122 OD1 ASN B 9 24.013 -3.571 -6.398 1.00 0.00 O ATOM 1123 ND2 ASN B 9 24.731 -5.384 -5.283 1.00 0.00 N ATOM 0 H ASN B 9 25.168 -6.463 -10.150 1.00 0.00 H new ATOM 0 HA ASN B 9 24.111 -4.271 -8.748 1.00 0.00 H new ATOM 0 HB2 ASN B 9 26.101 -5.907 -7.287 1.00 0.00 H new ATOM 0 HB3 ASN B 9 26.544 -4.217 -7.424 1.00 0.00 H new ATOM 0 HD21 ASN B 9 24.106 -5.204 -4.497 1.00 0.00 H new ATOM 0 HD22 ASN B 9 25.350 -6.195 -5.267 1.00 0.00 H new ATOM 1130 N PRO B 10 25.760 -2.825 -9.980 1.00 0.00 N ATOM 1131 CA PRO B 10 26.565 -2.011 -10.895 1.00 0.00 C ATOM 1132 C PRO B 10 27.998 -1.833 -10.405 1.00 0.00 C ATOM 1133 O PRO B 10 28.951 -2.026 -11.160 1.00 0.00 O ATOM 1134 CB PRO B 10 25.835 -0.666 -10.910 1.00 0.00 C ATOM 1135 CG PRO B 10 25.115 -0.611 -9.606 1.00 0.00 C ATOM 1136 CD PRO B 10 24.734 -2.030 -9.284 1.00 0.00 C ATOM 0 HA PRO B 10 26.656 -2.473 -11.878 1.00 0.00 H new ATOM 0 HB2 PRO B 10 26.535 0.163 -11.011 1.00 0.00 H new ATOM 0 HB3 PRO B 10 25.141 -0.601 -11.748 1.00 0.00 H new ATOM 0 HG2 PRO B 10 25.751 -0.191 -8.826 1.00 0.00 H new ATOM 0 HG3 PRO B 10 24.232 0.024 -9.674 1.00 0.00 H new ATOM 0 HD2 PRO B 10 24.743 -2.215 -8.210 1.00 0.00 H new ATOM 0 HD3 PRO B 10 23.732 -2.268 -9.640 1.00 0.00 H new ATOM 1144 N ARG B 11 28.143 -1.465 -9.136 1.00 0.00 N ATOM 1145 CA ARG B 11 29.460 -1.261 -8.545 1.00 0.00 C ATOM 1146 C ARG B 11 30.357 -2.472 -8.784 1.00 0.00 C ATOM 1147 O ARG B 11 31.499 -2.336 -9.224 1.00 0.00 O ATOM 1148 CB ARG B 11 29.334 -0.995 -7.044 1.00 0.00 C ATOM 1149 CG ARG B 11 28.329 0.093 -6.701 1.00 0.00 C ATOM 1150 CD ARG B 11 28.520 0.600 -5.280 1.00 0.00 C ATOM 1151 NE ARG B 11 27.798 1.847 -5.043 1.00 0.00 N ATOM 1152 CZ ARG B 11 28.191 3.025 -5.515 1.00 0.00 C ATOM 1153 NH1 ARG B 11 29.292 3.115 -6.247 1.00 0.00 N ATOM 1154 NH2 ARG B 11 27.480 4.115 -5.256 1.00 0.00 N ATOM 0 H ARG B 11 27.364 -1.302 -8.497 1.00 0.00 H new ATOM 0 HA ARG B 11 29.914 -0.394 -9.024 1.00 0.00 H new ATOM 0 HB2 ARG B 11 29.043 -1.918 -6.543 1.00 0.00 H new ATOM 0 HB3 ARG B 11 30.311 -0.713 -6.650 1.00 0.00 H new ATOM 0 HG2 ARG B 11 28.435 0.921 -7.401 1.00 0.00 H new ATOM 0 HG3 ARG B 11 27.317 -0.295 -6.817 1.00 0.00 H new ATOM 0 HD2 ARG B 11 28.176 -0.157 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG B 11 29.582 0.754 -5.090 1.00 0.00 H new ATOM 0 HE ARG B 11 26.945 1.812 -4.484 1.00 0.00 H new ATOM 0 HH11 ARG B 11 29.840 2.279 -6.449 1.00 0.00 H new ATOM 0 HH12 ARG B 11 29.592 4.021 -6.608 1.00 0.00 H new ATOM 0 HH21 ARG B 11 26.631 4.049 -4.694 1.00 0.00 H new ATOM 0 HH22 ARG B 11 27.782 5.019 -5.619 1.00 0.00 H new ATOM 1168 N VAL B 12 29.832 -3.658 -8.491 1.00 0.00 N ATOM 1169 CA VAL B 12 30.584 -4.893 -8.674 1.00 0.00 C ATOM 1170 C VAL B 12 30.867 -5.151 -10.150 1.00 0.00 C ATOM 1171 O VAL B 12 32.014 -5.358 -10.545 1.00 0.00 O ATOM 1172 CB VAL B 12 29.828 -6.102 -8.090 1.00 0.00 C ATOM 1173 CG1 VAL B 12 30.636 -7.377 -8.275 1.00 0.00 C ATOM 1174 CG2 VAL B 12 29.511 -5.871 -6.620 1.00 0.00 C ATOM 0 H VAL B 12 28.889 -3.789 -8.126 1.00 0.00 H new ATOM 0 HA VAL B 12 31.527 -4.771 -8.142 1.00 0.00 H new ATOM 0 HB VAL B 12 28.887 -6.215 -8.628 1.00 0.00 H new ATOM 0 HG11 VAL B 12 30.086 -8.220 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL B 12 30.808 -7.548 -9.338 1.00 0.00 H new ATOM 0 HG13 VAL B 12 31.594 -7.278 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL B 12 28.977 -6.734 -6.223 1.00 0.00 H new ATOM 0 HG22 VAL B 12 30.439 -5.732 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL B 12 28.890 -4.981 -6.517 1.00 0.00 H new ATOM 1184 N ALA B 13 29.814 -5.134 -10.961 1.00 0.00 N ATOM 1185 CA ALA B 13 29.950 -5.363 -12.394 1.00 0.00 C ATOM 1186 C ALA B 13 31.062 -4.503 -12.984 1.00 0.00 C ATOM 1187 O ALA B 13 32.051 -5.021 -13.503 1.00 0.00 O ATOM 1188 CB ALA B 13 28.632 -5.083 -13.100 1.00 0.00 C ATOM 0 H ALA B 13 28.858 -4.964 -10.650 1.00 0.00 H new ATOM 0 HA ALA B 13 30.216 -6.409 -12.547 1.00 0.00 H new ATOM 0 HB1 ALA B 13 28.748 -5.258 -14.170 1.00 0.00 H new ATOM 0 HB2 ALA B 13 27.860 -5.744 -12.706 1.00 0.00 H new ATOM 0 HB3 ALA B 13 28.342 -4.046 -12.931 1.00 0.00 H new ATOM 1194 N GLN B 14 30.892 -3.187 -12.903 1.00 0.00 N ATOM 1195 CA GLN B 14 31.882 -2.255 -13.431 1.00 0.00 C ATOM 1196 C GLN B 14 33.254 -2.514 -12.818 1.00 0.00 C ATOM 1197 O GLN B 14 34.266 -2.515 -13.518 1.00 0.00 O ATOM 1198 CB GLN B 14 31.452 -0.813 -13.158 1.00 0.00 C ATOM 1199 CG GLN B 14 32.390 0.225 -13.754 1.00 0.00 C ATOM 1200 CD GLN B 14 32.701 -0.040 -15.214 1.00 0.00 C ATOM 1201 OE1 GLN B 14 31.825 -0.430 -15.987 1.00 0.00 O ATOM 1202 NE2 GLN B 14 33.954 0.170 -15.600 1.00 0.00 N ATOM 0 H GLN B 14 30.079 -2.742 -12.477 1.00 0.00 H new ATOM 0 HA GLN B 14 31.951 -2.408 -14.508 1.00 0.00 H new ATOM 0 HB2 GLN B 14 30.451 -0.659 -13.560 1.00 0.00 H new ATOM 0 HB3 GLN B 14 31.390 -0.659 -12.081 1.00 0.00 H new ATOM 0 HG2 GLN B 14 31.942 1.214 -13.656 1.00 0.00 H new ATOM 0 HG3 GLN B 14 33.320 0.239 -13.185 1.00 0.00 H new ATOM 0 HE21 GLN B 14 34.648 0.493 -14.926 1.00 0.00 H new ATOM 0 HE22 GLN B 14 34.223 0.008 -16.571 1.00 0.00 H new ATOM 1211 N ALA B 15 33.280 -2.732 -11.508 1.00 0.00 N ATOM 1212 CA ALA B 15 34.528 -2.993 -10.801 1.00 0.00 C ATOM 1213 C ALA B 15 35.269 -4.176 -11.415 1.00 0.00 C ATOM 1214 O ALA B 15 36.409 -4.043 -11.861 1.00 0.00 O ATOM 1215 CB ALA B 15 34.256 -3.246 -9.326 1.00 0.00 C ATOM 0 H ALA B 15 32.451 -2.733 -10.914 1.00 0.00 H new ATOM 0 HA ALA B 15 35.162 -2.112 -10.896 1.00 0.00 H new ATOM 0 HB1 ALA B 15 35.197 -3.439 -8.811 1.00 0.00 H new ATOM 0 HB2 ALA B 15 33.776 -2.370 -8.889 1.00 0.00 H new ATOM 0 HB3 ALA B 15 33.600 -4.110 -9.220 1.00 0.00 H new ATOM 1221 N PHE B 16 34.615 -5.332 -11.434 1.00 0.00 N ATOM 1222 CA PHE B 16 35.213 -6.539 -11.993 1.00 0.00 C ATOM 1223 C PHE B 16 35.780 -6.272 -13.384 1.00 0.00 C ATOM 1224 O PHE B 16 36.928 -6.609 -13.674 1.00 0.00 O ATOM 1225 CB PHE B 16 34.178 -7.664 -12.059 1.00 0.00 C ATOM 1226 CG PHE B 16 34.173 -8.547 -10.843 1.00 0.00 C ATOM 1227 CD1 PHE B 16 33.474 -8.178 -9.706 1.00 0.00 C ATOM 1228 CD2 PHE B 16 34.869 -9.745 -10.839 1.00 0.00 C ATOM 1229 CE1 PHE B 16 33.467 -8.988 -8.586 1.00 0.00 C ATOM 1230 CE2 PHE B 16 34.865 -10.559 -9.722 1.00 0.00 C ATOM 1231 CZ PHE B 16 34.165 -10.180 -8.594 1.00 0.00 C ATOM 0 H PHE B 16 33.671 -5.459 -11.069 1.00 0.00 H new ATOM 0 HA PHE B 16 36.030 -6.845 -11.340 1.00 0.00 H new ATOM 0 HB2 PHE B 16 33.187 -7.228 -12.186 1.00 0.00 H new ATOM 0 HB3 PHE B 16 34.373 -8.275 -12.941 1.00 0.00 H new ATOM 0 HD1 PHE B 16 32.928 -7.246 -9.694 1.00 0.00 H new ATOM 0 HD2 PHE B 16 35.420 -10.046 -11.718 1.00 0.00 H new ATOM 0 HE1 PHE B 16 32.917 -8.689 -7.706 1.00 0.00 H new ATOM 0 HE2 PHE B 16 35.410 -11.492 -9.732 1.00 0.00 H new ATOM 0 HZ PHE B 16 34.163 -10.814 -7.720 1.00 0.00 H new ATOM 1241 N VAL B 17 34.966 -5.665 -14.241 1.00 0.00 N ATOM 1242 CA VAL B 17 35.385 -5.352 -15.602 1.00 0.00 C ATOM 1243 C VAL B 17 36.491 -4.302 -15.609 1.00 0.00 C ATOM 1244 O VAL B 17 37.261 -4.203 -16.565 1.00 0.00 O ATOM 1245 CB VAL B 17 34.204 -4.842 -16.450 1.00 0.00 C ATOM 1246 CG1 VAL B 17 34.687 -4.386 -17.818 1.00 0.00 C ATOM 1247 CG2 VAL B 17 33.140 -5.921 -16.583 1.00 0.00 C ATOM 0 H VAL B 17 34.013 -5.380 -14.017 1.00 0.00 H new ATOM 0 HA VAL B 17 35.763 -6.277 -16.037 1.00 0.00 H new ATOM 0 HB VAL B 17 33.759 -3.985 -15.945 1.00 0.00 H new ATOM 0 HG11 VAL B 17 33.839 -4.029 -18.403 1.00 0.00 H new ATOM 0 HG12 VAL B 17 35.410 -3.579 -17.698 1.00 0.00 H new ATOM 0 HG13 VAL B 17 35.158 -5.222 -18.335 1.00 0.00 H new ATOM 0 HG21 VAL B 17 32.313 -5.544 -17.185 1.00 0.00 H new ATOM 0 HG22 VAL B 17 33.570 -6.798 -17.066 1.00 0.00 H new ATOM 0 HG23 VAL B 17 32.774 -6.195 -15.594 1.00 0.00 H new ATOM 1257 N ASP B 18 36.565 -3.522 -14.537 1.00 0.00 N ATOM 1258 CA ASP B 18 37.578 -2.480 -14.418 1.00 0.00 C ATOM 1259 C ASP B 18 38.967 -3.089 -14.253 1.00 0.00 C ATOM 1260 O ASP B 18 39.861 -2.850 -15.065 1.00 0.00 O ATOM 1261 CB ASP B 18 37.264 -1.566 -13.232 1.00 0.00 C ATOM 1262 CG ASP B 18 38.038 -0.264 -13.283 1.00 0.00 C ATOM 1263 OD1 ASP B 18 37.930 0.451 -14.300 1.00 0.00 O ATOM 1264 OD2 ASP B 18 38.754 0.040 -12.305 1.00 0.00 O ATOM 0 H ASP B 18 35.935 -3.591 -13.737 1.00 0.00 H new ATOM 0 HA ASP B 18 37.566 -1.890 -15.334 1.00 0.00 H new ATOM 0 HB2 ASP B 18 36.196 -1.350 -13.217 1.00 0.00 H new ATOM 0 HB3 ASP B 18 37.497 -2.088 -12.304 1.00 0.00 H new ATOM 1269 N TYR B 19 39.140 -3.875 -13.196 1.00 0.00 N ATOM 1270 CA TYR B 19 40.421 -4.515 -12.922 1.00 0.00 C ATOM 1271 C TYR B 19 40.801 -5.477 -14.045 1.00 0.00 C ATOM 1272 O TYR B 19 41.978 -5.647 -14.360 1.00 0.00 O ATOM 1273 CB TYR B 19 40.366 -5.265 -11.590 1.00 0.00 C ATOM 1274 CG TYR B 19 39.872 -6.688 -11.717 1.00 0.00 C ATOM 1275 CD1 TYR B 19 40.701 -7.692 -12.202 1.00 0.00 C ATOM 1276 CD2 TYR B 19 38.577 -7.030 -11.349 1.00 0.00 C ATOM 1277 CE1 TYR B 19 40.254 -8.993 -12.320 1.00 0.00 C ATOM 1278 CE2 TYR B 19 38.121 -8.329 -11.462 1.00 0.00 C ATOM 1279 CZ TYR B 19 38.963 -9.307 -11.948 1.00 0.00 C ATOM 1280 OH TYR B 19 38.514 -10.603 -12.063 1.00 0.00 O ATOM 0 H TYR B 19 38.410 -4.084 -12.515 1.00 0.00 H new ATOM 0 HA TYR B 19 41.182 -3.736 -12.862 1.00 0.00 H new ATOM 0 HB2 TYR B 19 41.361 -5.273 -11.146 1.00 0.00 H new ATOM 0 HB3 TYR B 19 39.715 -4.723 -10.904 1.00 0.00 H new ATOM 0 HD1 TYR B 19 41.713 -7.450 -12.492 1.00 0.00 H new ATOM 0 HD2 TYR B 19 37.915 -6.267 -10.968 1.00 0.00 H new ATOM 0 HE1 TYR B 19 40.911 -9.761 -12.701 1.00 0.00 H new ATOM 0 HE2 TYR B 19 37.111 -8.577 -11.171 1.00 0.00 H new ATOM 0 HH TYR B 19 38.558 -10.882 -13.001 1.00 0.00 H new ATOM 1290 N MET B 20 39.793 -6.103 -14.644 1.00 0.00 N ATOM 1291 CA MET B 20 40.020 -7.046 -15.733 1.00 0.00 C ATOM 1292 C MET B 20 40.455 -6.318 -17.001 1.00 0.00 C ATOM 1293 O MET B 20 41.321 -6.794 -17.735 1.00 0.00 O ATOM 1294 CB MET B 20 38.751 -7.856 -16.006 1.00 0.00 C ATOM 1295 CG MET B 20 39.026 -9.279 -16.467 1.00 0.00 C ATOM 1296 SD MET B 20 39.036 -10.460 -15.105 1.00 0.00 S ATOM 1297 CE MET B 20 40.745 -10.997 -15.135 1.00 0.00 C ATOM 0 H MET B 20 38.812 -5.975 -14.394 1.00 0.00 H new ATOM 0 HA MET B 20 40.819 -7.724 -15.433 1.00 0.00 H new ATOM 0 HB2 MET B 20 38.147 -7.887 -15.099 1.00 0.00 H new ATOM 0 HB3 MET B 20 38.160 -7.345 -16.765 1.00 0.00 H new ATOM 0 HG2 MET B 20 38.269 -9.574 -17.193 1.00 0.00 H new ATOM 0 HG3 MET B 20 39.988 -9.312 -16.978 1.00 0.00 H new ATOM 0 HE1 MET B 20 40.845 -11.925 -14.573 1.00 0.00 H new ATOM 0 HE2 MET B 20 41.056 -11.162 -16.166 1.00 0.00 H new ATOM 0 HE3 MET B 20 41.375 -10.230 -14.684 1.00 0.00 H new ATOM 1307 N ALA B 21 39.849 -5.162 -17.253 1.00 0.00 N ATOM 1308 CA ALA B 21 40.176 -4.369 -18.431 1.00 0.00 C ATOM 1309 C ALA B 21 41.603 -3.836 -18.356 1.00 0.00 C ATOM 1310 O ALA B 21 42.338 -3.857 -19.344 1.00 0.00 O ATOM 1311 CB ALA B 21 39.189 -3.221 -18.584 1.00 0.00 C ATOM 0 H ALA B 21 39.129 -4.754 -16.657 1.00 0.00 H new ATOM 0 HA ALA B 21 40.104 -5.016 -19.306 1.00 0.00 H new ATOM 0 HB1 ALA B 21 39.445 -2.637 -19.468 1.00 0.00 H new ATOM 0 HB2 ALA B 21 38.181 -3.620 -18.692 1.00 0.00 H new ATOM 0 HB3 ALA B 21 39.234 -2.583 -17.702 1.00 0.00 H new ATOM 1317 N THR B 22 41.990 -3.358 -17.177 1.00 0.00 N ATOM 1318 CA THR B 22 43.328 -2.818 -16.973 1.00 0.00 C ATOM 1319 C THR B 22 44.375 -3.927 -16.977 1.00 0.00 C ATOM 1320 O THR B 22 45.573 -3.660 -17.052 1.00 0.00 O ATOM 1321 CB THR B 22 43.425 -2.041 -15.647 1.00 0.00 C ATOM 1322 OG1 THR B 22 44.747 -1.517 -15.482 1.00 0.00 O ATOM 1323 CG2 THR B 22 43.077 -2.937 -14.468 1.00 0.00 C ATOM 0 H THR B 22 41.395 -3.334 -16.349 1.00 0.00 H new ATOM 0 HA THR B 22 43.522 -2.135 -17.800 1.00 0.00 H new ATOM 0 HB THR B 22 42.711 -1.218 -15.680 1.00 0.00 H new ATOM 0 HG1 THR B 22 45.373 -2.029 -16.035 1.00 0.00 H new ATOM 0 HG21 THR B 22 43.153 -2.366 -13.542 1.00 0.00 H new ATOM 0 HG22 THR B 22 42.059 -3.310 -14.582 1.00 0.00 H new ATOM 0 HG23 THR B 22 43.770 -3.778 -14.433 1.00 0.00 H new ATOM 1331 N GLN B 23 43.913 -5.170 -16.896 1.00 0.00 N ATOM 1332 CA GLN B 23 44.811 -6.319 -16.890 1.00 0.00 C ATOM 1333 C GLN B 23 45.057 -6.825 -18.307 1.00 0.00 C ATOM 1334 O GLN B 23 45.804 -7.780 -18.515 1.00 0.00 O ATOM 1335 CB GLN B 23 44.231 -7.442 -16.028 1.00 0.00 C ATOM 1336 CG GLN B 23 44.514 -7.279 -14.543 1.00 0.00 C ATOM 1337 CD GLN B 23 45.988 -7.409 -14.213 1.00 0.00 C ATOM 1338 OE1 GLN B 23 46.486 -8.508 -13.967 1.00 0.00 O ATOM 1339 NE2 GLN B 23 46.695 -6.285 -14.205 1.00 0.00 N ATOM 0 H GLN B 23 42.923 -5.408 -16.834 1.00 0.00 H new ATOM 0 HA GLN B 23 45.764 -6.001 -16.467 1.00 0.00 H new ATOM 0 HB2 GLN B 23 43.153 -7.486 -16.181 1.00 0.00 H new ATOM 0 HB3 GLN B 23 44.640 -8.395 -16.365 1.00 0.00 H new ATOM 0 HG2 GLN B 23 44.156 -6.303 -14.214 1.00 0.00 H new ATOM 0 HG3 GLN B 23 43.953 -8.029 -13.985 1.00 0.00 H new ATOM 0 HE21 GLN B 23 46.242 -5.396 -14.415 1.00 0.00 H new ATOM 0 HE22 GLN B 23 47.692 -6.311 -13.989 1.00 0.00 H new ATOM 1348 N GLY B 24 44.422 -6.178 -19.280 1.00 0.00 N ATOM 1349 CA GLY B 24 44.585 -6.577 -20.666 1.00 0.00 C ATOM 1350 C GLY B 24 43.414 -7.394 -21.175 1.00 0.00 C ATOM 1351 O GLY B 24 43.357 -7.743 -22.355 1.00 0.00 O ATOM 0 H GLY B 24 43.798 -5.385 -19.133 1.00 0.00 H new ATOM 0 HA2 GLY B 24 44.701 -5.688 -21.286 1.00 0.00 H new ATOM 0 HA3 GLY B 24 45.501 -7.158 -20.768 1.00 0.00 H new ATOM 1355 N VAL B 25 42.477 -7.702 -20.284 1.00 0.00 N ATOM 1356 CA VAL B 25 41.302 -8.483 -20.650 1.00 0.00 C ATOM 1357 C VAL B 25 40.046 -7.620 -20.649 1.00 0.00 C ATOM 1358 O VAL B 25 39.603 -7.151 -19.600 1.00 0.00 O ATOM 1359 CB VAL B 25 41.096 -9.670 -19.690 1.00 0.00 C ATOM 1360 CG1 VAL B 25 40.069 -10.641 -20.252 1.00 0.00 C ATOM 1361 CG2 VAL B 25 42.418 -10.375 -19.424 1.00 0.00 C ATOM 0 H VAL B 25 42.509 -7.422 -19.304 1.00 0.00 H new ATOM 0 HA VAL B 25 41.477 -8.864 -21.656 1.00 0.00 H new ATOM 0 HB VAL B 25 40.717 -9.286 -18.743 1.00 0.00 H new ATOM 0 HG11 VAL B 25 39.937 -11.472 -19.560 1.00 0.00 H new ATOM 0 HG12 VAL B 25 39.117 -10.127 -20.386 1.00 0.00 H new ATOM 0 HG13 VAL B 25 40.415 -11.021 -21.213 1.00 0.00 H new ATOM 0 HG21 VAL B 25 42.254 -11.211 -18.744 1.00 0.00 H new ATOM 0 HG22 VAL B 25 42.828 -10.746 -20.363 1.00 0.00 H new ATOM 0 HG23 VAL B 25 43.120 -9.673 -18.974 1.00 0.00 H new ATOM 1371 N ILE B 26 39.475 -7.414 -21.832 1.00 0.00 N ATOM 1372 CA ILE B 26 38.268 -6.608 -21.967 1.00 0.00 C ATOM 1373 C ILE B 26 37.027 -7.410 -21.594 1.00 0.00 C ATOM 1374 O ILE B 26 36.802 -8.505 -22.112 1.00 0.00 O ATOM 1375 CB ILE B 26 38.107 -6.072 -23.402 1.00 0.00 C ATOM 1376 CG1 ILE B 26 39.317 -5.220 -23.790 1.00 0.00 C ATOM 1377 CG2 ILE B 26 36.823 -5.266 -23.525 1.00 0.00 C ATOM 1378 CD1 ILE B 26 39.543 -4.038 -22.874 1.00 0.00 C ATOM 0 H ILE B 26 39.829 -7.794 -22.710 1.00 0.00 H new ATOM 0 HA ILE B 26 38.373 -5.766 -21.283 1.00 0.00 H new ATOM 0 HB ILE B 26 38.048 -6.918 -24.086 1.00 0.00 H new ATOM 0 HG12 ILE B 26 40.209 -5.847 -23.787 1.00 0.00 H new ATOM 0 HG13 ILE B 26 39.185 -4.859 -24.810 1.00 0.00 H new ATOM 0 HG21 ILE B 26 36.723 -4.894 -24.545 1.00 0.00 H new ATOM 0 HG22 ILE B 26 35.970 -5.901 -23.286 1.00 0.00 H new ATOM 0 HG23 ILE B 26 36.854 -4.424 -22.833 1.00 0.00 H new ATOM 0 HD11 ILE B 26 40.417 -3.480 -23.209 1.00 0.00 H new ATOM 0 HD12 ILE B 26 38.668 -3.389 -22.895 1.00 0.00 H new ATOM 0 HD13 ILE B 26 39.707 -4.392 -21.856 1.00 0.00 H new ATOM 1390 N LEU B 27 36.222 -6.858 -20.693 1.00 0.00 N ATOM 1391 CA LEU B 27 35.000 -7.521 -20.250 1.00 0.00 C ATOM 1392 C LEU B 27 33.779 -6.644 -20.510 1.00 0.00 C ATOM 1393 O LEU B 27 33.893 -5.424 -20.638 1.00 0.00 O ATOM 1394 CB LEU B 27 35.090 -7.860 -18.761 1.00 0.00 C ATOM 1395 CG LEU B 27 35.632 -9.249 -18.421 1.00 0.00 C ATOM 1396 CD1 LEU B 27 34.517 -10.283 -18.467 1.00 0.00 C ATOM 1397 CD2 LEU B 27 36.756 -9.631 -19.373 1.00 0.00 C ATOM 0 H LEU B 27 36.393 -5.953 -20.255 1.00 0.00 H new ATOM 0 HA LEU B 27 34.890 -8.443 -20.820 1.00 0.00 H new ATOM 0 HB2 LEU B 27 35.723 -7.116 -18.277 1.00 0.00 H new ATOM 0 HB3 LEU B 27 34.095 -7.763 -18.326 1.00 0.00 H new ATOM 0 HG LEU B 27 36.034 -9.223 -17.408 1.00 0.00 H new ATOM 0 HD11 LEU B 27 34.921 -11.265 -18.222 1.00 0.00 H new ATOM 0 HD12 LEU B 27 33.745 -10.018 -17.744 1.00 0.00 H new ATOM 0 HD13 LEU B 27 34.085 -10.307 -19.467 1.00 0.00 H new ATOM 0 HD21 LEU B 27 37.129 -10.622 -19.116 1.00 0.00 H new ATOM 0 HD22 LEU B 27 36.379 -9.639 -20.396 1.00 0.00 H new ATOM 0 HD23 LEU B 27 37.565 -8.906 -19.290 1.00 0.00 H new ATOM 1409 N THR B 28 32.610 -7.272 -20.585 1.00 0.00 N ATOM 1410 CA THR B 28 31.368 -6.549 -20.828 1.00 0.00 C ATOM 1411 C THR B 28 30.317 -6.893 -19.779 1.00 0.00 C ATOM 1412 O THR B 28 30.311 -7.996 -19.232 1.00 0.00 O ATOM 1413 CB THR B 28 30.802 -6.859 -22.227 1.00 0.00 C ATOM 1414 OG1 THR B 28 31.849 -7.325 -23.086 1.00 0.00 O ATOM 1415 CG2 THR B 28 30.152 -5.625 -22.834 1.00 0.00 C ATOM 0 H THR B 28 32.497 -8.280 -20.481 1.00 0.00 H new ATOM 0 HA THR B 28 31.604 -5.487 -20.767 1.00 0.00 H new ATOM 0 HB THR B 28 30.044 -7.635 -22.124 1.00 0.00 H new ATOM 0 HG1 THR B 28 31.481 -7.522 -23.973 1.00 0.00 H new ATOM 0 HG21 THR B 28 29.760 -5.869 -23.821 1.00 0.00 H new ATOM 0 HG22 THR B 28 29.337 -5.290 -22.192 1.00 0.00 H new ATOM 0 HG23 THR B 28 30.893 -4.830 -22.924 1.00 0.00 H new ATOM 1423 N ILE B 29 29.430 -5.944 -19.504 1.00 0.00 N ATOM 1424 CA ILE B 29 28.373 -6.148 -18.521 1.00 0.00 C ATOM 1425 C ILE B 29 27.000 -5.870 -19.124 1.00 0.00 C ATOM 1426 O ILE B 29 26.850 -4.984 -19.965 1.00 0.00 O ATOM 1427 CB ILE B 29 28.570 -5.250 -17.286 1.00 0.00 C ATOM 1428 CG1 ILE B 29 29.907 -5.561 -16.610 1.00 0.00 C ATOM 1429 CG2 ILE B 29 27.420 -5.433 -16.308 1.00 0.00 C ATOM 1430 CD1 ILE B 29 30.040 -7.003 -16.171 1.00 0.00 C ATOM 0 H ILE B 29 29.422 -5.026 -19.948 1.00 0.00 H new ATOM 0 HA ILE B 29 28.427 -7.192 -18.213 1.00 0.00 H new ATOM 0 HB ILE B 29 28.582 -4.209 -17.610 1.00 0.00 H new ATOM 0 HG12 ILE B 29 30.717 -5.323 -17.299 1.00 0.00 H new ATOM 0 HG13 ILE B 29 30.026 -4.913 -15.742 1.00 0.00 H new ATOM 0 HG21 ILE B 29 27.574 -4.791 -15.441 1.00 0.00 H new ATOM 0 HG22 ILE B 29 26.482 -5.165 -16.795 1.00 0.00 H new ATOM 0 HG23 ILE B 29 27.378 -6.474 -15.987 1.00 0.00 H new ATOM 0 HD11 ILE B 29 31.012 -7.152 -15.700 1.00 0.00 H new ATOM 0 HD12 ILE B 29 29.251 -7.240 -15.458 1.00 0.00 H new ATOM 0 HD13 ILE B 29 29.953 -7.657 -17.039 1.00 0.00 H new ATOM 1442 N GLN B 30 26.002 -6.631 -18.687 1.00 0.00 N ATOM 1443 CA GLN B 30 24.641 -6.465 -19.184 1.00 0.00 C ATOM 1444 C GLN B 30 23.683 -6.132 -18.045 1.00 0.00 C ATOM 1445 O GLN B 30 23.305 -7.006 -17.265 1.00 0.00 O ATOM 1446 CB GLN B 30 24.179 -7.734 -19.901 1.00 0.00 C ATOM 1447 CG GLN B 30 24.191 -7.616 -21.416 1.00 0.00 C ATOM 1448 CD GLN B 30 22.802 -7.441 -21.999 1.00 0.00 C ATOM 1449 OE1 GLN B 30 21.818 -7.934 -21.447 1.00 0.00 O ATOM 1450 NE2 GLN B 30 22.715 -6.736 -23.120 1.00 0.00 N ATOM 0 H GLN B 30 26.110 -7.368 -17.990 1.00 0.00 H new ATOM 0 HA GLN B 30 24.638 -5.636 -19.891 1.00 0.00 H new ATOM 0 HB2 GLN B 30 24.822 -8.563 -19.605 1.00 0.00 H new ATOM 0 HB3 GLN B 30 23.169 -7.980 -19.572 1.00 0.00 H new ATOM 0 HG2 GLN B 30 24.812 -6.768 -21.706 1.00 0.00 H new ATOM 0 HG3 GLN B 30 24.650 -8.508 -21.842 1.00 0.00 H new ATOM 0 HE21 GLN B 30 23.557 -6.345 -23.543 1.00 0.00 H new ATOM 0 HE22 GLN B 30 21.806 -6.585 -23.558 1.00 0.00 H new ATOM 1459 N GLN B 31 23.295 -4.864 -17.955 1.00 0.00 N ATOM 1460 CA GLN B 31 22.382 -4.417 -16.910 1.00 0.00 C ATOM 1461 C GLN B 31 20.933 -4.502 -17.381 1.00 0.00 C ATOM 1462 O GLN B 31 20.492 -3.708 -18.213 1.00 0.00 O ATOM 1463 CB GLN B 31 22.712 -2.983 -16.494 1.00 0.00 C ATOM 1464 CG GLN B 31 22.751 -2.780 -14.988 1.00 0.00 C ATOM 1465 CD GLN B 31 22.317 -1.388 -14.575 1.00 0.00 C ATOM 1466 OE1 GLN B 31 21.242 -1.204 -14.004 1.00 0.00 O ATOM 1467 NE2 GLN B 31 23.154 -0.397 -14.863 1.00 0.00 N ATOM 0 H GLN B 31 23.599 -4.128 -18.593 1.00 0.00 H new ATOM 0 HA GLN B 31 22.505 -5.074 -16.049 1.00 0.00 H new ATOM 0 HB2 GLN B 31 23.678 -2.705 -16.915 1.00 0.00 H new ATOM 0 HB3 GLN B 31 21.971 -2.309 -16.924 1.00 0.00 H new ATOM 0 HG2 GLN B 31 22.104 -3.515 -14.509 1.00 0.00 H new ATOM 0 HG3 GLN B 31 23.763 -2.963 -14.627 1.00 0.00 H new ATOM 0 HE21 GLN B 31 24.035 -0.595 -15.337 1.00 0.00 H new ATOM 0 HE22 GLN B 31 22.916 0.562 -14.610 1.00 0.00 H new ATOM 1524 N SER B 35 10.108 -3.138 -15.223 1.00 0.00 N ATOM 1525 CA SER B 35 9.227 -2.667 -14.161 1.00 0.00 C ATOM 1526 C SER B 35 7.927 -3.465 -14.140 1.00 0.00 C ATOM 1527 O SER B 35 6.977 -3.144 -14.855 1.00 0.00 O ATOM 1528 CB SER B 35 8.923 -1.179 -14.344 1.00 0.00 C ATOM 1529 OG SER B 35 9.964 -0.529 -15.051 1.00 0.00 O ATOM 0 HA SER B 35 9.737 -2.812 -13.209 1.00 0.00 H new ATOM 0 HB2 SER B 35 7.983 -1.060 -14.884 1.00 0.00 H new ATOM 0 HB3 SER B 35 8.792 -0.709 -13.369 1.00 0.00 H new ATOM 0 HG SER B 35 10.486 -1.193 -15.548 1.00 0.00 H new ATOM 1535 N ASP B 36 7.892 -4.506 -13.316 1.00 0.00 N ATOM 1536 CA ASP B 36 6.709 -5.351 -13.200 1.00 0.00 C ATOM 1537 C ASP B 36 5.661 -4.698 -12.304 1.00 0.00 C ATOM 1538 O ASP B 36 5.952 -4.305 -11.174 1.00 0.00 O ATOM 1539 CB ASP B 36 7.089 -6.724 -12.644 1.00 0.00 C ATOM 1540 CG ASP B 36 7.215 -7.774 -13.730 1.00 0.00 C ATOM 1541 OD1 ASP B 36 7.605 -7.414 -14.861 1.00 0.00 O ATOM 1542 OD2 ASP B 36 6.924 -8.955 -13.449 1.00 0.00 O ATOM 0 H ASP B 36 8.670 -4.785 -12.718 1.00 0.00 H new ATOM 0 HA ASP B 36 6.283 -5.476 -14.196 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.034 -6.646 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.337 -7.041 -11.922 1.00 0.00 H new ATOM 1547 N VAL B 37 4.440 -4.583 -12.817 1.00 0.00 N ATOM 1548 CA VAL B 37 3.348 -3.977 -12.065 1.00 0.00 C ATOM 1549 C VAL B 37 2.457 -5.043 -11.435 1.00 0.00 C ATOM 1550 O VAL B 37 1.953 -5.930 -12.124 1.00 0.00 O ATOM 1551 CB VAL B 37 2.487 -3.067 -12.960 1.00 0.00 C ATOM 1552 CG1 VAL B 37 1.589 -2.179 -12.111 1.00 0.00 C ATOM 1553 CG2 VAL B 37 3.369 -2.230 -13.873 1.00 0.00 C ATOM 0 H VAL B 37 4.182 -4.902 -13.751 1.00 0.00 H new ATOM 0 HA VAL B 37 3.802 -3.375 -11.278 1.00 0.00 H new ATOM 0 HB VAL B 37 1.851 -3.695 -13.584 1.00 0.00 H new ATOM 0 HG11 VAL B 37 0.988 -1.543 -12.760 1.00 0.00 H new ATOM 0 HG12 VAL B 37 0.932 -2.801 -11.503 1.00 0.00 H new ATOM 0 HG13 VAL B 37 2.203 -1.556 -11.461 1.00 0.00 H new ATOM 0 HG21 VAL B 37 2.744 -1.593 -14.499 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.031 -1.609 -13.270 1.00 0.00 H new ATOM 0 HG23 VAL B 37 3.965 -2.887 -14.506 1.00 0.00 H new ATOM 1563 N TRP B 38 2.267 -4.948 -10.124 1.00 0.00 N ATOM 1564 CA TRP B 38 1.436 -5.904 -9.402 1.00 0.00 C ATOM 1565 C TRP B 38 0.455 -5.186 -8.482 1.00 0.00 C ATOM 1566 O TRP B 38 0.787 -4.162 -7.882 1.00 0.00 O ATOM 1567 CB TRP B 38 2.311 -6.859 -8.589 1.00 0.00 C ATOM 1568 CG TRP B 38 3.670 -6.306 -8.283 1.00 0.00 C ATOM 1569 CD1 TRP B 38 4.616 -5.912 -9.185 1.00 0.00 C ATOM 1570 CD2 TRP B 38 4.234 -6.087 -6.985 1.00 0.00 C ATOM 1571 NE1 TRP B 38 5.735 -5.461 -8.527 1.00 0.00 N ATOM 1572 CE2 TRP B 38 5.525 -5.558 -7.177 1.00 0.00 C ATOM 1573 CE3 TRP B 38 3.774 -6.285 -5.681 1.00 0.00 C ATOM 1574 CZ2 TRP B 38 6.359 -5.226 -6.112 1.00 0.00 C ATOM 1575 CZ3 TRP B 38 4.602 -5.955 -4.625 1.00 0.00 C ATOM 1576 CH2 TRP B 38 5.882 -5.430 -4.845 1.00 0.00 C ATOM 0 H TRP B 38 2.677 -4.219 -9.540 1.00 0.00 H new ATOM 0 HA TRP B 38 0.866 -6.478 -10.133 1.00 0.00 H new ATOM 0 HB2 TRP B 38 1.805 -7.097 -7.654 1.00 0.00 H new ATOM 0 HB3 TRP B 38 2.422 -7.794 -9.138 1.00 0.00 H new ATOM 0 HD1 TRP B 38 4.502 -5.949 -10.258 1.00 0.00 H new ATOM 0 HE1 TRP B 38 6.584 -5.111 -8.972 1.00 0.00 H new ATOM 0 HE3 TRP B 38 2.789 -6.689 -5.501 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 7.347 -4.822 -6.280 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 4.256 -6.104 -3.613 1.00 0.00 H new ATOM 0 HH2 TRP B 38 6.505 -5.181 -3.998 1.00 0.00 H new ATOM 1587 N LEU B 39 -0.753 -5.727 -8.374 1.00 0.00 N ATOM 1588 CA LEU B 39 -1.783 -5.138 -7.525 1.00 0.00 C ATOM 1589 C LEU B 39 -2.132 -6.067 -6.367 1.00 0.00 C ATOM 1590 O LEU B 39 -1.999 -7.286 -6.474 1.00 0.00 O ATOM 1591 CB LEU B 39 -3.037 -4.835 -8.347 1.00 0.00 C ATOM 1592 CG LEU B 39 -4.282 -4.440 -7.552 1.00 0.00 C ATOM 1593 CD1 LEU B 39 -4.059 -3.119 -6.832 1.00 0.00 C ATOM 1594 CD2 LEU B 39 -5.494 -4.353 -8.467 1.00 0.00 C ATOM 0 H LEU B 39 -1.044 -6.573 -8.864 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.392 -4.207 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -2.805 -4.029 -9.043 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -3.276 -5.714 -8.945 1.00 0.00 H new ATOM 0 HG LEU B 39 -4.471 -5.210 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -4.956 -2.854 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.218 -3.216 -6.146 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.844 -2.339 -7.562 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -6.371 -4.071 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -5.315 -3.604 -9.238 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -5.666 -5.322 -8.936 1.00 0.00 H new ATOM 1606 N ALA B 40 -2.582 -5.483 -5.261 1.00 0.00 N ATOM 1607 CA ALA B 40 -2.955 -6.259 -4.085 1.00 0.00 C ATOM 1608 C ALA B 40 -4.467 -6.437 -4.002 1.00 0.00 C ATOM 1609 O ALA B 40 -4.956 -7.432 -3.466 1.00 0.00 O ATOM 1610 CB ALA B 40 -2.431 -5.590 -2.823 1.00 0.00 C ATOM 0 H ALA B 40 -2.697 -4.475 -5.155 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.503 -7.247 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.717 -6.180 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -1.344 -5.520 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -2.856 -4.590 -2.738 1.00 0.00 H new ATOM 1616 N ASP B 41 -5.203 -5.468 -4.536 1.00 0.00 N ATOM 1617 CA ASP B 41 -6.660 -5.519 -4.522 1.00 0.00 C ATOM 1618 C ASP B 41 -7.192 -6.194 -5.782 1.00 0.00 C ATOM 1619 O ASP B 41 -7.478 -5.531 -6.779 1.00 0.00 O ATOM 1620 CB ASP B 41 -7.240 -4.109 -4.401 1.00 0.00 C ATOM 1621 CG ASP B 41 -8.712 -4.117 -4.040 1.00 0.00 C ATOM 1622 OD1 ASP B 41 -9.302 -5.216 -3.982 1.00 0.00 O ATOM 1623 OD2 ASP B 41 -9.274 -3.024 -3.816 1.00 0.00 O ATOM 0 H ASP B 41 -4.814 -4.638 -4.984 1.00 0.00 H new ATOM 0 HA ASP B 41 -6.970 -6.106 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.686 -3.555 -3.643 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.103 -3.581 -5.345 1.00 0.00 H new ATOM 1628 N GLU B 42 -7.321 -7.516 -5.730 1.00 0.00 N ATOM 1629 CA GLU B 42 -7.817 -8.280 -6.869 1.00 0.00 C ATOM 1630 C GLU B 42 -9.107 -7.672 -7.412 1.00 0.00 C ATOM 1631 O GLU B 42 -9.291 -7.560 -8.624 1.00 0.00 O ATOM 1632 CB GLU B 42 -8.056 -9.737 -6.469 1.00 0.00 C ATOM 1633 CG GLU B 42 -6.781 -10.493 -6.132 1.00 0.00 C ATOM 1634 CD GLU B 42 -7.052 -11.890 -5.607 1.00 0.00 C ATOM 1635 OE1 GLU B 42 -8.129 -12.102 -5.013 1.00 0.00 O ATOM 1636 OE2 GLU B 42 -6.186 -12.771 -5.793 1.00 0.00 O ATOM 0 H GLU B 42 -7.089 -8.080 -4.912 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.061 -8.245 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -8.723 -9.764 -5.607 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -8.568 -10.249 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.156 -10.559 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -6.217 -9.932 -5.387 1.00 0.00 H new ATOM 1643 N SER B 43 -9.998 -7.283 -6.505 1.00 0.00 N ATOM 1644 CA SER B 43 -11.273 -6.691 -6.892 1.00 0.00 C ATOM 1645 C SER B 43 -11.059 -5.488 -7.806 1.00 0.00 C ATOM 1646 O SER B 43 -11.869 -5.216 -8.691 1.00 0.00 O ATOM 1647 CB SER B 43 -12.061 -6.268 -5.650 1.00 0.00 C ATOM 1648 OG SER B 43 -13.457 -6.358 -5.877 1.00 0.00 O ATOM 0 H SER B 43 -9.860 -7.367 -5.498 1.00 0.00 H new ATOM 0 HA SER B 43 -11.843 -7.443 -7.437 1.00 0.00 H new ATOM 0 HB2 SER B 43 -11.785 -6.901 -4.807 1.00 0.00 H new ATOM 0 HB3 SER B 43 -11.798 -5.245 -5.380 1.00 0.00 H new ATOM 0 HG SER B 43 -13.938 -6.084 -5.068 1.00 0.00 H new ATOM 1654 N GLN B 44 -9.961 -4.772 -7.583 1.00 0.00 N ATOM 1655 CA GLN B 44 -9.640 -3.598 -8.385 1.00 0.00 C ATOM 1656 C GLN B 44 -8.812 -3.983 -9.607 1.00 0.00 C ATOM 1657 O GLN B 44 -8.652 -3.191 -10.535 1.00 0.00 O ATOM 1658 CB GLN B 44 -8.881 -2.571 -7.543 1.00 0.00 C ATOM 1659 CG GLN B 44 -9.565 -1.215 -7.475 1.00 0.00 C ATOM 1660 CD GLN B 44 -11.005 -1.310 -7.009 1.00 0.00 C ATOM 1661 OE1 GLN B 44 -11.348 -2.161 -6.187 1.00 0.00 O ATOM 1662 NE2 GLN B 44 -11.856 -0.436 -7.532 1.00 0.00 N ATOM 0 H GLN B 44 -9.280 -4.985 -6.854 1.00 0.00 H new ATOM 0 HA GLN B 44 -10.576 -3.156 -8.727 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -8.762 -2.960 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -7.880 -2.444 -7.956 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -9.010 -0.566 -6.798 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -9.536 -0.748 -8.459 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -11.528 0.252 -8.210 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -12.838 -0.452 -7.256 1.00 0.00 H new ATOM 1671 N ALA B 45 -8.288 -5.204 -9.599 1.00 0.00 N ATOM 1672 CA ALA B 45 -7.479 -5.695 -10.708 1.00 0.00 C ATOM 1673 C ALA B 45 -8.173 -5.455 -12.044 1.00 0.00 C ATOM 1674 O ALA B 45 -7.528 -5.126 -13.038 1.00 0.00 O ATOM 1675 CB ALA B 45 -7.177 -7.175 -10.526 1.00 0.00 C ATOM 0 H ALA B 45 -8.409 -5.871 -8.837 1.00 0.00 H new ATOM 0 HA ALA B 45 -6.540 -5.141 -10.713 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.572 -7.528 -11.361 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.631 -7.323 -9.594 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -8.111 -7.735 -10.492 1.00 0.00 H new ATOM 1681 N GLU B 46 -9.492 -5.623 -12.058 1.00 0.00 N ATOM 1682 CA GLU B 46 -10.273 -5.426 -13.274 1.00 0.00 C ATOM 1683 C GLU B 46 -10.235 -3.965 -13.714 1.00 0.00 C ATOM 1684 O GLU B 46 -10.005 -3.664 -14.885 1.00 0.00 O ATOM 1685 CB GLU B 46 -11.721 -5.866 -13.053 1.00 0.00 C ATOM 1686 CG GLU B 46 -11.851 -7.266 -12.477 1.00 0.00 C ATOM 1687 CD GLU B 46 -13.229 -7.861 -12.695 1.00 0.00 C ATOM 1688 OE1 GLU B 46 -13.453 -8.467 -13.763 1.00 0.00 O ATOM 1689 OE2 GLU B 46 -14.083 -7.720 -11.795 1.00 0.00 O ATOM 0 H GLU B 46 -10.041 -5.895 -11.243 1.00 0.00 H new ATOM 0 HA GLU B 46 -9.832 -6.036 -14.062 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -12.208 -5.159 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -12.254 -5.822 -14.003 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -11.103 -7.914 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -11.637 -7.237 -11.409 1.00 0.00 H new ATOM 1696 N ARG B 47 -10.464 -3.062 -12.766 1.00 0.00 N ATOM 1697 CA ARG B 47 -10.458 -1.633 -13.055 1.00 0.00 C ATOM 1698 C ARG B 47 -9.107 -1.196 -13.613 1.00 0.00 C ATOM 1699 O ARG B 47 -9.029 -0.604 -14.690 1.00 0.00 O ATOM 1700 CB ARG B 47 -10.782 -0.834 -11.792 1.00 0.00 C ATOM 1701 CG ARG B 47 -10.791 0.671 -12.008 1.00 0.00 C ATOM 1702 CD ARG B 47 -9.450 1.293 -11.650 1.00 0.00 C ATOM 1703 NE ARG B 47 -9.397 2.712 -11.990 1.00 0.00 N ATOM 1704 CZ ARG B 47 -9.981 3.663 -11.269 1.00 0.00 C ATOM 1705 NH1 ARG B 47 -10.658 3.347 -10.174 1.00 0.00 N ATOM 1706 NH2 ARG B 47 -9.887 4.932 -11.644 1.00 0.00 N ATOM 0 H ARG B 47 -10.656 -3.295 -11.792 1.00 0.00 H new ATOM 0 HA ARG B 47 -11.223 -1.437 -13.807 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.757 -1.144 -11.416 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -10.051 -1.077 -11.021 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -11.028 0.889 -13.049 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -11.576 1.122 -11.401 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.266 1.169 -10.583 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.654 0.765 -12.174 1.00 0.00 H new ATOM 0 HE ARG B 47 -8.884 2.988 -12.827 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.731 2.372 -9.883 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.105 4.079 -9.622 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -9.366 5.178 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -10.335 5.662 -11.090 1.00 0.00 H new ATOM 1720 N VAL B 48 -8.043 -1.492 -12.872 1.00 0.00 N ATOM 1721 CA VAL B 48 -6.695 -1.131 -13.293 1.00 0.00 C ATOM 1722 C VAL B 48 -6.374 -1.708 -14.667 1.00 0.00 C ATOM 1723 O VAL B 48 -5.721 -1.061 -15.486 1.00 0.00 O ATOM 1724 CB VAL B 48 -5.641 -1.624 -12.283 1.00 0.00 C ATOM 1725 CG1 VAL B 48 -5.793 -0.898 -10.955 1.00 0.00 C ATOM 1726 CG2 VAL B 48 -5.750 -3.129 -12.092 1.00 0.00 C ATOM 0 H VAL B 48 -8.089 -1.981 -11.978 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.660 -0.043 -13.342 1.00 0.00 H new ATOM 0 HB VAL B 48 -4.651 -1.401 -12.680 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -5.040 -1.259 -10.254 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -5.661 0.173 -11.109 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -6.787 -1.087 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -4.998 -3.460 -11.376 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -6.743 -3.377 -11.717 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -5.587 -3.630 -13.046 1.00 0.00 H new ATOM 1736 N ARG B 49 -6.839 -2.929 -14.913 1.00 0.00 N ATOM 1737 CA ARG B 49 -6.601 -3.594 -16.188 1.00 0.00 C ATOM 1738 C ARG B 49 -7.180 -2.780 -17.342 1.00 0.00 C ATOM 1739 O ARG B 49 -6.494 -2.504 -18.325 1.00 0.00 O ATOM 1740 CB ARG B 49 -7.216 -4.994 -16.180 1.00 0.00 C ATOM 1741 CG ARG B 49 -6.242 -6.085 -15.764 1.00 0.00 C ATOM 1742 CD ARG B 49 -6.946 -7.205 -15.015 1.00 0.00 C ATOM 1743 NE ARG B 49 -6.845 -8.481 -15.718 1.00 0.00 N ATOM 1744 CZ ARG B 49 -7.345 -9.620 -15.251 1.00 0.00 C ATOM 1745 NH1 ARG B 49 -7.977 -9.641 -14.086 1.00 0.00 N ATOM 1746 NH2 ARG B 49 -7.212 -10.740 -15.949 1.00 0.00 N ATOM 0 H ARG B 49 -7.382 -3.477 -14.246 1.00 0.00 H new ATOM 0 HA ARG B 49 -5.523 -3.678 -16.329 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.069 -5.003 -15.502 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -7.598 -5.220 -17.176 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -5.749 -6.491 -16.648 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -5.463 -5.657 -15.133 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -6.513 -7.304 -14.020 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -7.997 -6.947 -14.881 1.00 0.00 H new ATOM 0 HE ARG B 49 -6.364 -8.499 -16.617 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -8.080 -8.782 -13.546 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -8.360 -10.516 -13.729 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -6.725 -10.728 -16.845 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -7.596 -11.614 -15.589 1.00 0.00 H new ATOM 1760 N ALA B 50 -8.447 -2.400 -17.214 1.00 0.00 N ATOM 1761 CA ALA B 50 -9.118 -1.617 -18.245 1.00 0.00 C ATOM 1762 C ALA B 50 -8.396 -0.295 -18.487 1.00 0.00 C ATOM 1763 O ALA B 50 -7.970 -0.007 -19.605 1.00 0.00 O ATOM 1764 CB ALA B 50 -10.567 -1.365 -17.857 1.00 0.00 C ATOM 0 H ALA B 50 -9.030 -2.622 -16.407 1.00 0.00 H new ATOM 0 HA ALA B 50 -9.096 -2.189 -19.173 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.056 -0.779 -18.636 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.084 -2.318 -17.741 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.602 -0.817 -16.915 1.00 0.00 H new ATOM 1770 N GLU B 51 -8.262 0.503 -17.432 1.00 0.00 N ATOM 1771 CA GLU B 51 -7.592 1.794 -17.533 1.00 0.00 C ATOM 1772 C GLU B 51 -6.179 1.633 -18.084 1.00 0.00 C ATOM 1773 O GLU B 51 -5.758 2.374 -18.973 1.00 0.00 O ATOM 1774 CB GLU B 51 -7.543 2.476 -16.164 1.00 0.00 C ATOM 1775 CG GLU B 51 -8.902 2.594 -15.493 1.00 0.00 C ATOM 1776 CD GLU B 51 -10.016 2.883 -16.480 1.00 0.00 C ATOM 1777 OE1 GLU B 51 -9.879 3.845 -17.264 1.00 0.00 O ATOM 1778 OE2 GLU B 51 -11.025 2.147 -16.469 1.00 0.00 O ATOM 0 H GLU B 51 -8.608 0.278 -16.499 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.162 2.417 -18.222 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.873 1.916 -15.512 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -7.116 3.472 -16.279 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -9.123 1.668 -14.962 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -8.867 3.388 -14.747 1.00 0.00 H new ATOM 1785 N LEU B 52 -5.449 0.660 -17.549 1.00 0.00 N ATOM 1786 CA LEU B 52 -4.082 0.400 -17.986 1.00 0.00 C ATOM 1787 C LEU B 52 -4.013 0.256 -19.503 1.00 0.00 C ATOM 1788 O LEU B 52 -3.242 0.947 -20.167 1.00 0.00 O ATOM 1789 CB LEU B 52 -3.543 -0.866 -17.317 1.00 0.00 C ATOM 1790 CG LEU B 52 -2.105 -1.249 -17.665 1.00 0.00 C ATOM 1791 CD1 LEU B 52 -1.439 -1.948 -16.490 1.00 0.00 C ATOM 1792 CD2 LEU B 52 -2.074 -2.135 -18.902 1.00 0.00 C ATOM 0 H LEU B 52 -5.781 0.038 -16.812 1.00 0.00 H new ATOM 0 HA LEU B 52 -3.465 1.249 -17.692 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.613 -0.740 -16.237 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -4.194 -1.699 -17.583 1.00 0.00 H new ATOM 0 HG LEU B 52 -1.549 -0.337 -17.881 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -0.416 -2.213 -16.757 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -1.428 -1.281 -15.628 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -1.995 -2.852 -16.242 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -1.042 -2.398 -19.135 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -2.646 -3.043 -18.713 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -2.511 -1.599 -19.744 1.00 0.00 H new ATOM 1804 N ALA B 53 -4.826 -0.645 -20.044 1.00 0.00 N ATOM 1805 CA ALA B 53 -4.861 -0.877 -21.482 1.00 0.00 C ATOM 1806 C ALA B 53 -5.200 0.404 -22.237 1.00 0.00 C ATOM 1807 O ALA B 53 -4.623 0.689 -23.286 1.00 0.00 O ATOM 1808 CB ALA B 53 -5.865 -1.971 -21.817 1.00 0.00 C ATOM 0 H ALA B 53 -5.470 -1.227 -19.507 1.00 0.00 H new ATOM 0 HA ALA B 53 -3.869 -1.201 -21.796 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -5.880 -2.133 -22.895 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -5.578 -2.895 -21.315 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.857 -1.669 -21.482 1.00 0.00 H new ATOM 1814 N ARG B 54 -6.140 1.172 -21.696 1.00 0.00 N ATOM 1815 CA ARG B 54 -6.557 2.422 -22.320 1.00 0.00 C ATOM 1816 C ARG B 54 -5.439 3.459 -22.261 1.00 0.00 C ATOM 1817 O ARG B 54 -5.399 4.391 -23.064 1.00 0.00 O ATOM 1818 CB ARG B 54 -7.810 2.967 -21.632 1.00 0.00 C ATOM 1819 CG ARG B 54 -9.102 2.351 -22.143 1.00 0.00 C ATOM 1820 CD ARG B 54 -10.287 2.742 -21.274 1.00 0.00 C ATOM 1821 NE ARG B 54 -11.559 2.559 -21.969 1.00 0.00 N ATOM 1822 CZ ARG B 54 -12.743 2.742 -21.394 1.00 0.00 C ATOM 1823 NH1 ARG B 54 -12.817 3.111 -20.123 1.00 0.00 N ATOM 1824 NH2 ARG B 54 -13.856 2.556 -22.092 1.00 0.00 N ATOM 0 H ARG B 54 -6.627 0.951 -20.827 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.785 2.218 -23.366 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.732 2.789 -20.559 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.851 4.047 -21.774 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.279 2.674 -23.169 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -9.006 1.265 -22.162 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.282 2.143 -20.363 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -10.186 3.784 -20.971 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.537 2.275 -22.949 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.964 3.255 -19.583 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.727 3.251 -19.685 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.803 2.272 -23.070 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.765 2.697 -21.650 1.00 0.00 H new ATOM 1838 N PHE B 55 -4.534 3.291 -21.303 1.00 0.00 N ATOM 1839 CA PHE B 55 -3.416 4.213 -21.137 1.00 0.00 C ATOM 1840 C PHE B 55 -2.240 3.807 -22.020 1.00 0.00 C ATOM 1841 O PHE B 55 -1.627 4.645 -22.681 1.00 0.00 O ATOM 1842 CB PHE B 55 -2.977 4.257 -19.672 1.00 0.00 C ATOM 1843 CG PHE B 55 -2.406 5.582 -19.256 1.00 0.00 C ATOM 1844 CD1 PHE B 55 -3.162 6.739 -19.357 1.00 0.00 C ATOM 1845 CD2 PHE B 55 -1.114 5.672 -18.765 1.00 0.00 C ATOM 1846 CE1 PHE B 55 -2.639 7.960 -18.976 1.00 0.00 C ATOM 1847 CE2 PHE B 55 -0.585 6.891 -18.383 1.00 0.00 C ATOM 1848 CZ PHE B 55 -1.350 8.036 -18.487 1.00 0.00 C ATOM 0 H PHE B 55 -4.553 2.525 -20.630 1.00 0.00 H new ATOM 0 HA PHE B 55 -3.749 5.206 -21.440 1.00 0.00 H new ATOM 0 HB2 PHE B 55 -3.832 4.024 -19.038 1.00 0.00 H new ATOM 0 HB3 PHE B 55 -2.232 3.480 -19.501 1.00 0.00 H new ATOM 0 HD1 PHE B 55 -4.171 6.686 -19.738 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -0.512 4.779 -18.679 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -3.238 8.854 -19.061 1.00 0.00 H new ATOM 0 HE2 PHE B 55 0.425 6.948 -18.004 1.00 0.00 H new ATOM 0 HZ PHE B 55 -0.941 8.989 -18.186 1.00 0.00 H new ATOM 1858 N LEU B 56 -1.932 2.515 -22.026 1.00 0.00 N ATOM 1859 CA LEU B 56 -0.829 1.995 -22.828 1.00 0.00 C ATOM 1860 C LEU B 56 -1.017 2.341 -24.302 1.00 0.00 C ATOM 1861 O LEU B 56 -0.049 2.590 -25.018 1.00 0.00 O ATOM 1862 CB LEU B 56 -0.719 0.479 -22.658 1.00 0.00 C ATOM 1863 CG LEU B 56 0.093 -0.004 -21.455 1.00 0.00 C ATOM 1864 CD1 LEU B 56 0.076 -1.523 -21.375 1.00 0.00 C ATOM 1865 CD2 LEU B 56 1.523 0.511 -21.535 1.00 0.00 C ATOM 0 H LEU B 56 -2.430 1.808 -21.485 1.00 0.00 H new ATOM 0 HA LEU B 56 0.093 2.461 -22.479 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -1.726 0.068 -22.580 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.274 0.063 -23.562 1.00 0.00 H new ATOM 0 HG LEU B 56 -0.365 0.393 -20.549 1.00 0.00 H new ATOM 0 HD11 LEU B 56 0.659 -1.849 -20.513 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -0.952 -1.870 -21.270 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.509 -1.940 -22.284 1.00 0.00 H new ATOM 0 HD21 LEU B 56 2.086 0.158 -20.671 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.991 0.144 -22.448 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.517 1.601 -21.543 1.00 0.00 H new