USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 TYR OH : rot 48:sc= 0.0947 USER MOD Set 1.2: B 22 GLN : amide:sc= 0.0937 K(o=0.19,f=-1!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -170:sc= 0.259 (180deg=-0.0635) USER MOD Set 2.2: A 23 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 78:sc= 0.639 USER MOD Single : A 6 THR OG1 : rot 110:sc= 1.17 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 82:sc= 1.24 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.1 K(o=-2.1,f=-7.6!) USER MOD Single : A 39 GLN : amide:sc= -0.37 K(o=-0.37,f=-3.8!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 82:sc= 0.929 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 161:sc= -7.54! (180deg=-10.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 52:sc= 0.245 USER MOD Single : A 53 SER OG : rot 180:sc= -0.46 USER MOD Single : A 60 TYR OH : rot 168:sc= 0.0435 USER MOD Single : A 64 SER OG : rot -160:sc= -0.379 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -10:sc= 1.08 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.416 -8.926 -4.495 1.00 0.00 N ATOM 2 CA MET A 1 -3.676 -9.717 -4.606 1.00 0.00 C ATOM 3 C MET A 1 -3.716 -10.801 -3.525 1.00 0.00 C ATOM 4 O MET A 1 -2.820 -11.615 -3.415 1.00 0.00 O ATOM 5 CB MET A 1 -3.625 -10.347 -5.998 1.00 0.00 C ATOM 6 CG MET A 1 -5.027 -10.811 -6.400 1.00 0.00 C ATOM 7 SD MET A 1 -5.298 -10.457 -8.155 1.00 0.00 S ATOM 8 CE MET A 1 -7.101 -10.326 -8.084 1.00 0.00 C ATOM 0 H1 MET A 1 -2.400 -8.194 -5.233 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.370 -8.475 -3.559 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.598 -9.557 -4.615 1.00 0.00 H new ATOM 0 HA MET A 1 -4.565 -9.101 -4.470 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.248 -9.625 -6.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.936 -11.192 -6.002 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.136 -11.879 -6.212 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.778 -10.302 -5.795 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.489 -10.107 -9.079 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.521 -11.268 -7.730 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.381 -9.525 -7.400 1.00 0.00 H new ATOM 18 N ALA A 2 -4.748 -10.818 -2.727 1.00 0.00 N ATOM 19 CA ALA A 2 -4.844 -11.849 -1.654 1.00 0.00 C ATOM 20 C ALA A 2 -3.521 -11.939 -0.887 1.00 0.00 C ATOM 21 O ALA A 2 -2.668 -12.748 -1.195 1.00 0.00 O ATOM 22 CB ALA A 2 -5.129 -13.159 -2.388 1.00 0.00 C ATOM 0 H ALA A 2 -5.529 -10.163 -2.771 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.619 -11.615 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.214 -13.970 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.062 -13.069 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.314 -13.373 -3.080 1.00 0.00 H new ATOM 28 N ASP A 3 -3.345 -11.114 0.108 1.00 0.00 N ATOM 29 CA ASP A 3 -2.078 -11.152 0.894 1.00 0.00 C ATOM 30 C ASP A 3 -2.384 -11.314 2.385 1.00 0.00 C ATOM 31 O ASP A 3 -3.509 -11.556 2.775 1.00 0.00 O ATOM 32 CB ASP A 3 -1.409 -9.802 0.629 1.00 0.00 C ATOM 33 CG ASP A 3 -2.429 -8.679 0.822 1.00 0.00 C ATOM 34 OD1 ASP A 3 -3.339 -8.586 0.015 1.00 0.00 O ATOM 35 OD2 ASP A 3 -2.284 -7.931 1.776 1.00 0.00 O ATOM 0 H ASP A 3 -4.023 -10.415 0.411 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.440 -11.988 0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.567 -9.663 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.010 -9.775 -0.385 1.00 0.00 H new ATOM 40 N THR A 4 -1.392 -11.181 3.221 1.00 0.00 N ATOM 41 CA THR A 4 -1.627 -11.325 4.686 1.00 0.00 C ATOM 42 C THR A 4 -1.199 -10.050 5.418 1.00 0.00 C ATOM 43 O THR A 4 -0.808 -9.076 4.808 1.00 0.00 O ATOM 44 CB THR A 4 -0.757 -12.508 5.112 1.00 0.00 C ATOM 45 OG1 THR A 4 -0.471 -13.315 3.979 1.00 0.00 O ATOM 46 CG2 THR A 4 -1.501 -13.341 6.157 1.00 0.00 C ATOM 0 H THR A 4 -0.429 -10.979 2.954 1.00 0.00 H new ATOM 0 HA THR A 4 -2.679 -11.488 4.922 1.00 0.00 H new ATOM 0 HB THR A 4 0.174 -12.138 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.232 -12.890 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.880 -14.184 6.460 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.721 -12.722 7.026 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.433 -13.712 5.730 1.00 0.00 H new ATOM 54 N ASP A 5 -1.272 -10.048 6.722 1.00 0.00 N ATOM 55 CA ASP A 5 -0.872 -8.834 7.491 1.00 0.00 C ATOM 56 C ASP A 5 0.254 -9.174 8.471 1.00 0.00 C ATOM 57 O ASP A 5 0.416 -10.309 8.872 1.00 0.00 O ATOM 58 CB ASP A 5 -2.130 -8.416 8.251 1.00 0.00 C ATOM 59 CG ASP A 5 -2.484 -9.492 9.277 1.00 0.00 C ATOM 60 OD1 ASP A 5 -3.093 -10.475 8.889 1.00 0.00 O ATOM 61 OD2 ASP A 5 -2.138 -9.317 10.434 1.00 0.00 O ATOM 0 H ASP A 5 -1.591 -10.834 7.288 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.501 -8.040 6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.966 -7.461 8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.958 -8.274 7.556 1.00 0.00 H new ATOM 66 N THR A 6 1.030 -8.198 8.860 1.00 0.00 N ATOM 67 CA THR A 6 2.145 -8.466 9.816 1.00 0.00 C ATOM 68 C THR A 6 3.172 -9.404 9.176 1.00 0.00 C ATOM 69 O THR A 6 4.279 -9.010 8.866 1.00 0.00 O ATOM 70 CB THR A 6 1.482 -9.129 11.024 1.00 0.00 C ATOM 71 OG1 THR A 6 0.251 -8.475 11.304 1.00 0.00 O ATOM 72 CG2 THR A 6 2.403 -9.024 12.240 1.00 0.00 C ATOM 0 H THR A 6 0.941 -7.228 8.558 1.00 0.00 H new ATOM 0 HA THR A 6 2.679 -7.558 10.097 1.00 0.00 H new ATOM 0 HB THR A 6 1.296 -10.180 10.803 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.494 -9.070 11.078 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.927 -9.497 13.099 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.347 -9.525 12.026 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.592 -7.974 12.463 1.00 0.00 H new ATOM 80 N ALA A 7 2.811 -10.640 8.968 1.00 0.00 N ATOM 81 CA ALA A 7 3.763 -11.599 8.339 1.00 0.00 C ATOM 82 C ALA A 7 4.032 -11.182 6.892 1.00 0.00 C ATOM 83 O ALA A 7 5.157 -11.172 6.435 1.00 0.00 O ATOM 84 CB ALA A 7 3.051 -12.951 8.386 1.00 0.00 C ATOM 0 H ALA A 7 1.898 -11.028 9.206 1.00 0.00 H new ATOM 0 HA ALA A 7 4.725 -11.632 8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.689 -13.714 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.840 -13.215 9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.116 -12.889 7.829 1.00 0.00 H new ATOM 90 N GLU A 8 3.001 -10.830 6.173 1.00 0.00 N ATOM 91 CA GLU A 8 3.187 -10.404 4.758 1.00 0.00 C ATOM 92 C GLU A 8 4.127 -9.197 4.696 1.00 0.00 C ATOM 93 O GLU A 8 4.922 -9.062 3.787 1.00 0.00 O ATOM 94 CB GLU A 8 1.789 -10.022 4.270 1.00 0.00 C ATOM 95 CG GLU A 8 1.832 -9.737 2.768 1.00 0.00 C ATOM 96 CD GLU A 8 2.074 -11.042 2.007 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.245 -11.931 2.117 1.00 0.00 O ATOM 98 OE2 GLU A 8 3.084 -11.131 1.328 1.00 0.00 O ATOM 0 H GLU A 8 2.037 -10.819 6.506 1.00 0.00 H new ATOM 0 HA GLU A 8 3.630 -11.187 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.087 -10.829 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.432 -9.143 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.894 -9.285 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.624 -9.022 2.545 1.00 0.00 H new ATOM 105 N GLN A 9 4.038 -8.317 5.656 1.00 0.00 N ATOM 106 CA GLN A 9 4.924 -7.117 5.652 1.00 0.00 C ATOM 107 C GLN A 9 6.392 -7.546 5.731 1.00 0.00 C ATOM 108 O GLN A 9 7.224 -7.079 4.979 1.00 0.00 O ATOM 109 CB GLN A 9 4.528 -6.326 6.898 1.00 0.00 C ATOM 110 CG GLN A 9 4.877 -4.850 6.698 1.00 0.00 C ATOM 111 CD GLN A 9 3.601 -4.060 6.404 1.00 0.00 C ATOM 112 OE1 GLN A 9 2.890 -4.361 5.466 1.00 0.00 O ATOM 113 NE2 GLN A 9 3.279 -3.055 7.170 1.00 0.00 N ATOM 0 H GLN A 9 3.391 -8.377 6.442 1.00 0.00 H new ATOM 0 HA GLN A 9 4.814 -6.525 4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.460 -6.436 7.087 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.048 -6.719 7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.364 -4.456 7.590 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.583 -4.740 5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.876 -2.802 7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.430 -2.522 6.982 1.00 0.00 H new ATOM 122 N VAL A 10 6.715 -8.432 6.633 1.00 0.00 N ATOM 123 CA VAL A 10 8.130 -8.888 6.750 1.00 0.00 C ATOM 124 C VAL A 10 8.596 -9.478 5.417 1.00 0.00 C ATOM 125 O VAL A 10 9.624 -9.106 4.887 1.00 0.00 O ATOM 126 CB VAL A 10 8.113 -9.962 7.839 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.547 -10.383 8.167 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.447 -9.400 9.097 1.00 0.00 C ATOM 0 H VAL A 10 6.064 -8.859 7.292 1.00 0.00 H new ATOM 0 HA VAL A 10 8.812 -8.074 6.997 1.00 0.00 H new ATOM 0 HB VAL A 10 7.554 -10.828 7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.533 -11.148 8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.023 -10.783 7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.108 -9.518 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.434 -10.164 9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.007 -8.534 9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.425 -9.101 8.865 1.00 0.00 H new ATOM 138 N ILE A 11 7.840 -10.390 4.869 1.00 0.00 N ATOM 139 CA ILE A 11 8.231 -10.997 3.566 1.00 0.00 C ATOM 140 C ILE A 11 8.374 -9.900 2.511 1.00 0.00 C ATOM 141 O ILE A 11 9.367 -9.819 1.816 1.00 0.00 O ATOM 142 CB ILE A 11 7.085 -11.944 3.208 1.00 0.00 C ATOM 143 CG1 ILE A 11 7.081 -13.127 4.180 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.273 -12.458 1.780 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.645 -13.614 4.384 1.00 0.00 C ATOM 0 H ILE A 11 6.969 -10.741 5.267 1.00 0.00 H new ATOM 0 HA ILE A 11 9.185 -11.522 3.617 1.00 0.00 H new ATOM 0 HB ILE A 11 6.137 -11.411 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.698 -13.935 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.514 -12.829 5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.456 -13.133 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.277 -11.616 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.220 -12.992 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.641 -14.456 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.041 -12.805 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.228 -13.929 3.427 1.00 0.00 H new ATOM 157 N ALA A 12 7.394 -9.046 2.395 1.00 0.00 N ATOM 158 CA ALA A 12 7.485 -7.946 1.396 1.00 0.00 C ATOM 159 C ALA A 12 8.732 -7.111 1.681 1.00 0.00 C ATOM 160 O ALA A 12 9.458 -6.730 0.784 1.00 0.00 O ATOM 161 CB ALA A 12 6.218 -7.114 1.597 1.00 0.00 C ATOM 0 H ALA A 12 6.537 -9.063 2.948 1.00 0.00 H new ATOM 0 HA ALA A 12 7.561 -8.310 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.214 -6.282 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.341 -7.739 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.194 -6.728 2.616 1.00 0.00 H new ATOM 167 N SER A 13 8.994 -6.838 2.930 1.00 0.00 N ATOM 168 CA SER A 13 10.204 -6.044 3.279 1.00 0.00 C ATOM 169 C SER A 13 11.455 -6.866 2.970 1.00 0.00 C ATOM 170 O SER A 13 12.457 -6.347 2.519 1.00 0.00 O ATOM 171 CB SER A 13 10.089 -5.781 4.781 1.00 0.00 C ATOM 172 OG SER A 13 8.910 -5.029 5.037 1.00 0.00 O ATOM 0 H SER A 13 8.422 -7.131 3.723 1.00 0.00 H new ATOM 0 HA SER A 13 10.276 -5.114 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.058 -6.725 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.965 -5.237 5.135 1.00 0.00 H new ATOM 0 HG SER A 13 8.138 -5.632 5.071 1.00 0.00 H new ATOM 178 N PHE A 14 11.401 -8.151 3.201 1.00 0.00 N ATOM 179 CA PHE A 14 12.584 -9.010 2.909 1.00 0.00 C ATOM 180 C PHE A 14 12.812 -9.075 1.397 1.00 0.00 C ATOM 181 O PHE A 14 13.926 -8.958 0.922 1.00 0.00 O ATOM 182 CB PHE A 14 12.221 -10.389 3.459 1.00 0.00 C ATOM 183 CG PHE A 14 12.808 -10.547 4.839 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.176 -10.333 5.046 1.00 0.00 C ATOM 185 CD2 PHE A 14 11.985 -10.907 5.914 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.721 -10.479 6.326 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.531 -11.052 7.194 1.00 0.00 C ATOM 188 CZ PHE A 14 13.899 -10.839 7.401 1.00 0.00 C ATOM 0 H PHE A 14 10.590 -8.641 3.579 1.00 0.00 H new ATOM 0 HA PHE A 14 13.500 -8.627 3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.138 -10.504 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.601 -11.168 2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.811 -10.055 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.930 -11.073 5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.776 -10.314 6.485 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.897 -11.328 8.023 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.320 -10.952 8.389 1.00 0.00 H new ATOM 198 N ARG A 15 11.766 -9.251 0.636 1.00 0.00 N ATOM 199 CA ARG A 15 11.924 -9.312 -0.844 1.00 0.00 C ATOM 200 C ARG A 15 12.651 -8.058 -1.335 1.00 0.00 C ATOM 201 O ARG A 15 13.596 -8.134 -2.096 1.00 0.00 O ATOM 202 CB ARG A 15 10.498 -9.362 -1.396 1.00 0.00 C ATOM 203 CG ARG A 15 10.453 -10.285 -2.616 1.00 0.00 C ATOM 204 CD ARG A 15 9.589 -9.649 -3.708 1.00 0.00 C ATOM 205 NE ARG A 15 8.953 -10.797 -4.414 1.00 0.00 N ATOM 206 CZ ARG A 15 8.182 -10.587 -5.446 1.00 0.00 C ATOM 207 NH1 ARG A 15 7.966 -9.370 -5.869 1.00 0.00 N ATOM 208 NH2 ARG A 15 7.625 -11.596 -6.058 1.00 0.00 N ATOM 0 H ARG A 15 10.810 -9.355 0.975 1.00 0.00 H new ATOM 0 HA ARG A 15 12.509 -10.172 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.813 -9.722 -0.629 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.169 -8.360 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.462 -10.459 -2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.046 -11.256 -2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.839 -8.984 -3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.193 -9.051 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 15 9.121 -11.749 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.401 -8.580 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.363 -9.210 -6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.792 -12.547 -5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.022 -11.434 -6.865 1.00 0.00 H new ATOM 222 N ILE A 16 12.223 -6.905 -0.898 1.00 0.00 N ATOM 223 CA ILE A 16 12.894 -5.646 -1.331 1.00 0.00 C ATOM 224 C ILE A 16 14.362 -5.668 -0.902 1.00 0.00 C ATOM 225 O ILE A 16 15.246 -5.304 -1.652 1.00 0.00 O ATOM 226 CB ILE A 16 12.141 -4.527 -0.612 1.00 0.00 C ATOM 227 CG1 ILE A 16 10.768 -4.340 -1.263 1.00 0.00 C ATOM 228 CG2 ILE A 16 12.935 -3.223 -0.714 1.00 0.00 C ATOM 229 CD1 ILE A 16 9.940 -3.356 -0.435 1.00 0.00 C ATOM 0 H ILE A 16 11.437 -6.780 -0.260 1.00 0.00 H new ATOM 0 HA ILE A 16 12.876 -5.514 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 16 12.016 -4.791 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.884 -3.967 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.253 -5.298 -1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 16 12.395 -2.427 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.913 -3.355 -0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.063 -2.956 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.963 -3.223 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.813 -3.747 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.454 -2.396 -0.390 1.00 0.00 H new ATOM 241 N LEU A 17 14.628 -6.103 0.300 1.00 0.00 N ATOM 242 CA LEU A 17 16.038 -6.160 0.779 1.00 0.00 C ATOM 243 C LEU A 17 16.845 -7.127 -0.090 1.00 0.00 C ATOM 244 O LEU A 17 17.983 -6.870 -0.432 1.00 0.00 O ATOM 245 CB LEU A 17 15.945 -6.680 2.214 1.00 0.00 C ATOM 246 CG LEU A 17 16.163 -5.525 3.194 1.00 0.00 C ATOM 247 CD1 LEU A 17 17.569 -4.953 3.007 1.00 0.00 C ATOM 248 CD2 LEU A 17 15.129 -4.429 2.929 1.00 0.00 C ATOM 0 H LEU A 17 13.929 -6.421 0.971 1.00 0.00 H new ATOM 0 HA LEU A 17 16.535 -5.191 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.969 -7.135 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 17 16.692 -7.456 2.379 1.00 0.00 H new ATOM 0 HG LEU A 17 16.053 -5.891 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 17 17.723 -4.130 3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.307 -5.733 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 17 17.680 -4.588 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.284 -3.606 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.239 -4.064 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.126 -4.835 3.063 1.00 0.00 H new ATOM 260 N ALA A 18 16.262 -8.237 -0.449 1.00 0.00 N ATOM 261 CA ALA A 18 16.990 -9.225 -1.295 1.00 0.00 C ATOM 262 C ALA A 18 16.896 -8.831 -2.772 1.00 0.00 C ATOM 263 O ALA A 18 17.303 -9.569 -3.648 1.00 0.00 O ATOM 264 CB ALA A 18 16.277 -10.556 -1.050 1.00 0.00 C ATOM 0 H ALA A 18 15.311 -8.503 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 18 18.050 -9.277 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.755 -11.339 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.336 -10.811 0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.231 -10.468 -1.344 1.00 0.00 H new ATOM 270 N SER A 19 16.364 -7.673 -3.056 1.00 0.00 N ATOM 271 CA SER A 19 16.246 -7.233 -4.477 1.00 0.00 C ATOM 272 C SER A 19 15.243 -8.117 -5.225 1.00 0.00 C ATOM 273 O SER A 19 15.600 -8.853 -6.124 1.00 0.00 O ATOM 274 CB SER A 19 17.649 -7.400 -5.063 1.00 0.00 C ATOM 275 OG SER A 19 17.862 -6.409 -6.059 1.00 0.00 O ATOM 0 H SER A 19 16.006 -7.012 -2.366 1.00 0.00 H new ATOM 0 HA SER A 19 15.889 -6.207 -4.562 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.398 -7.308 -4.276 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.760 -8.395 -5.494 1.00 0.00 H new ATOM 0 HG SER A 19 18.761 -6.512 -6.436 1.00 0.00 H new ATOM 281 N ASP A 20 13.992 -8.050 -4.861 1.00 0.00 N ATOM 282 CA ASP A 20 12.968 -8.885 -5.553 1.00 0.00 C ATOM 283 C ASP A 20 13.431 -10.342 -5.629 1.00 0.00 C ATOM 284 O ASP A 20 13.615 -10.889 -6.698 1.00 0.00 O ATOM 285 CB ASP A 20 12.851 -8.286 -6.954 1.00 0.00 C ATOM 286 CG ASP A 20 12.363 -6.840 -6.854 1.00 0.00 C ATOM 287 OD1 ASP A 20 12.815 -6.144 -5.959 1.00 0.00 O ATOM 288 OD2 ASP A 20 11.547 -6.452 -7.673 1.00 0.00 O ATOM 0 H ASP A 20 13.634 -7.454 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 20 12.013 -8.885 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.817 -8.320 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.157 -8.874 -7.555 1.00 0.00 H new ATOM 293 N LYS A 21 13.621 -10.975 -4.503 1.00 0.00 N ATOM 294 CA LYS A 21 14.069 -12.394 -4.513 1.00 0.00 C ATOM 295 C LYS A 21 13.356 -13.177 -3.411 1.00 0.00 C ATOM 296 O LYS A 21 13.135 -12.669 -2.329 1.00 0.00 O ATOM 297 CB LYS A 21 15.574 -12.336 -4.247 1.00 0.00 C ATOM 298 CG LYS A 21 16.292 -11.817 -5.495 1.00 0.00 C ATOM 299 CD LYS A 21 17.691 -12.429 -5.571 1.00 0.00 C ATOM 300 CE LYS A 21 18.338 -12.061 -6.910 1.00 0.00 C ATOM 301 NZ LYS A 21 17.815 -13.066 -7.876 1.00 0.00 N ATOM 0 H LYS A 21 13.485 -10.569 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 21 13.843 -12.894 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.779 -11.684 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.946 -13.326 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.722 -12.074 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.361 -10.730 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.304 -12.065 -4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.631 -13.513 -5.469 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.073 -11.048 -7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.425 -12.101 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.336 -12.990 -8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.938 -14.021 -7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.804 -12.890 -8.047 1.00 0.00 H new ATOM 315 N PRO A 22 13.019 -14.397 -3.728 1.00 0.00 N ATOM 316 CA PRO A 22 12.321 -15.239 -2.721 1.00 0.00 C ATOM 317 C PRO A 22 13.294 -15.656 -1.614 1.00 0.00 C ATOM 318 O PRO A 22 12.925 -16.332 -0.674 1.00 0.00 O ATOM 319 CB PRO A 22 11.837 -16.459 -3.507 1.00 0.00 C ATOM 320 CG PRO A 22 12.602 -16.442 -4.790 1.00 0.00 C ATOM 321 CD PRO A 22 12.989 -15.015 -5.057 1.00 0.00 C ATOM 0 HA PRO A 22 11.500 -14.715 -2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.021 -17.380 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.764 -16.406 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.487 -17.074 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.995 -16.835 -5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.960 -14.951 -5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.268 -14.522 -5.709 1.00 0.00 H new ATOM 329 N TYR A 23 14.532 -15.255 -1.716 1.00 0.00 N ATOM 330 CA TYR A 23 15.523 -15.627 -0.666 1.00 0.00 C ATOM 331 C TYR A 23 16.478 -14.459 -0.409 1.00 0.00 C ATOM 332 O TYR A 23 16.585 -13.547 -1.206 1.00 0.00 O ATOM 333 CB TYR A 23 16.281 -16.825 -1.239 1.00 0.00 C ATOM 334 CG TYR A 23 16.966 -16.421 -2.521 1.00 0.00 C ATOM 335 CD1 TYR A 23 16.243 -16.389 -3.720 1.00 0.00 C ATOM 336 CD2 TYR A 23 18.323 -16.081 -2.513 1.00 0.00 C ATOM 337 CE1 TYR A 23 16.879 -16.015 -4.910 1.00 0.00 C ATOM 338 CE2 TYR A 23 18.959 -15.706 -3.703 1.00 0.00 C ATOM 339 CZ TYR A 23 18.236 -15.674 -4.901 1.00 0.00 C ATOM 340 OH TYR A 23 18.862 -15.304 -6.075 1.00 0.00 O ATOM 0 H TYR A 23 14.900 -14.687 -2.479 1.00 0.00 H new ATOM 0 HA TYR A 23 15.048 -15.866 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.017 -17.182 -0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 23 15.592 -17.649 -1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 23 15.196 -16.653 -3.727 1.00 0.00 H new ATOM 0 HD2 TYR A 23 18.881 -16.108 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.322 -15.990 -5.835 1.00 0.00 H new ATOM 0 HE2 TYR A 23 20.006 -15.442 -3.696 1.00 0.00 H new ATOM 0 HH TYR A 23 19.803 -15.098 -5.893 1.00 0.00 H new ATOM 350 N ILE A 24 17.169 -14.473 0.697 1.00 0.00 N ATOM 351 CA ILE A 24 18.111 -13.358 0.998 1.00 0.00 C ATOM 352 C ILE A 24 19.498 -13.914 1.344 1.00 0.00 C ATOM 353 O ILE A 24 19.626 -14.917 2.016 1.00 0.00 O ATOM 354 CB ILE A 24 17.481 -12.627 2.192 1.00 0.00 C ATOM 355 CG1 ILE A 24 17.940 -11.167 2.191 1.00 0.00 C ATOM 356 CG2 ILE A 24 17.900 -13.292 3.507 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.447 -11.103 2.441 1.00 0.00 C ATOM 0 H ILE A 24 17.123 -15.206 1.404 1.00 0.00 H new ATOM 0 HA ILE A 24 18.257 -12.687 0.151 1.00 0.00 H new ATOM 0 HB ILE A 24 16.396 -12.675 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.699 -10.700 1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.409 -10.608 2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.445 -12.762 4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.568 -14.330 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 24 18.985 -13.258 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.772 -10.063 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.675 -11.553 3.407 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.970 -11.647 1.654 1.00 0.00 H new ATOM 369 N LEU A 25 20.536 -13.267 0.888 1.00 0.00 N ATOM 370 CA LEU A 25 21.911 -13.755 1.186 1.00 0.00 C ATOM 371 C LEU A 25 22.331 -13.323 2.594 1.00 0.00 C ATOM 372 O LEU A 25 21.985 -12.254 3.055 1.00 0.00 O ATOM 373 CB LEU A 25 22.803 -13.097 0.133 1.00 0.00 C ATOM 374 CG LEU A 25 22.499 -13.697 -1.241 1.00 0.00 C ATOM 375 CD1 LEU A 25 22.133 -12.579 -2.217 1.00 0.00 C ATOM 376 CD2 LEU A 25 23.735 -14.437 -1.757 1.00 0.00 C ATOM 0 H LEU A 25 20.490 -12.420 0.321 1.00 0.00 H new ATOM 0 HA LEU A 25 21.980 -14.842 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.632 -12.021 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.853 -13.249 0.384 1.00 0.00 H new ATOM 0 HG LEU A 25 21.665 -14.393 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.917 -13.007 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 25 21.254 -12.049 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 25 22.967 -11.883 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 25 23.520 -14.865 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.568 -13.739 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 25 23.998 -15.234 -1.062 1.00 0.00 H new ATOM 388 N ALA A 26 23.073 -14.148 3.278 1.00 0.00 N ATOM 389 CA ALA A 26 23.514 -13.789 4.656 1.00 0.00 C ATOM 390 C ALA A 26 24.398 -12.541 4.622 1.00 0.00 C ATOM 391 O ALA A 26 24.346 -11.707 5.501 1.00 0.00 O ATOM 392 CB ALA A 26 24.311 -14.998 5.146 1.00 0.00 C ATOM 0 H ALA A 26 23.394 -15.056 2.943 1.00 0.00 H new ATOM 0 HA ALA A 26 22.673 -13.563 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.671 -14.811 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 26 23.671 -15.880 5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.160 -15.167 4.484 1.00 0.00 H new ATOM 398 N GLU A 27 25.209 -12.404 3.611 1.00 0.00 N ATOM 399 CA GLU A 27 26.089 -11.208 3.525 1.00 0.00 C ATOM 400 C GLU A 27 25.245 -9.956 3.279 1.00 0.00 C ATOM 401 O GLU A 27 25.556 -8.883 3.757 1.00 0.00 O ATOM 402 CB GLU A 27 27.003 -11.479 2.333 1.00 0.00 C ATOM 403 CG GLU A 27 28.207 -12.304 2.789 1.00 0.00 C ATOM 404 CD GLU A 27 29.083 -12.638 1.580 1.00 0.00 C ATOM 405 OE1 GLU A 27 28.863 -12.049 0.534 1.00 0.00 O ATOM 406 OE2 GLU A 27 29.957 -13.477 1.720 1.00 0.00 O ATOM 0 H GLU A 27 25.300 -13.068 2.842 1.00 0.00 H new ATOM 0 HA GLU A 27 26.654 -11.039 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 27 26.456 -12.013 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 27 27.338 -10.538 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 27 28.784 -11.747 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 27 27.871 -13.221 3.273 1.00 0.00 H new ATOM 413 N GLU A 28 24.179 -10.084 2.536 1.00 0.00 N ATOM 414 CA GLU A 28 23.318 -8.899 2.261 1.00 0.00 C ATOM 415 C GLU A 28 22.661 -8.417 3.557 1.00 0.00 C ATOM 416 O GLU A 28 22.717 -7.251 3.893 1.00 0.00 O ATOM 417 CB GLU A 28 22.262 -9.397 1.272 1.00 0.00 C ATOM 418 CG GLU A 28 22.882 -9.510 -0.123 1.00 0.00 C ATOM 419 CD GLU A 28 21.771 -9.643 -1.166 1.00 0.00 C ATOM 420 OE1 GLU A 28 20.681 -10.042 -0.794 1.00 0.00 O ATOM 421 OE2 GLU A 28 22.031 -9.342 -2.319 1.00 0.00 O ATOM 0 H GLU A 28 23.868 -10.956 2.108 1.00 0.00 H new ATOM 0 HA GLU A 28 23.883 -8.058 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 28 21.878 -10.366 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 28 21.416 -8.710 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.490 -8.631 -0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.544 -10.375 -0.169 1.00 0.00 H new ATOM 428 N LEU A 29 22.046 -9.304 4.292 1.00 0.00 N ATOM 429 CA LEU A 29 21.397 -8.888 5.568 1.00 0.00 C ATOM 430 C LEU A 29 22.463 -8.458 6.580 1.00 0.00 C ATOM 431 O LEU A 29 22.249 -7.578 7.389 1.00 0.00 O ATOM 432 CB LEU A 29 20.624 -10.121 6.058 1.00 0.00 C ATOM 433 CG LEU A 29 21.564 -11.107 6.760 1.00 0.00 C ATOM 434 CD1 LEU A 29 21.670 -10.753 8.244 1.00 0.00 C ATOM 435 CD2 LEU A 29 21.004 -12.523 6.617 1.00 0.00 C ATOM 0 H LEU A 29 21.965 -10.295 4.065 1.00 0.00 H new ATOM 0 HA LEU A 29 20.730 -8.036 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.835 -9.813 6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 29 20.139 -10.611 5.214 1.00 0.00 H new ATOM 0 HG LEU A 29 22.553 -11.052 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.339 -11.457 8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 29 22.064 -9.742 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.683 -10.808 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.669 -13.229 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 29 20.016 -12.571 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.928 -12.779 5.560 1.00 0.00 H new ATOM 447 N ARG A 30 23.610 -9.071 6.536 1.00 0.00 N ATOM 448 CA ARG A 30 24.696 -8.703 7.491 1.00 0.00 C ATOM 449 C ARG A 30 25.192 -7.278 7.222 1.00 0.00 C ATOM 450 O ARG A 30 25.583 -6.566 8.126 1.00 0.00 O ATOM 451 CB ARG A 30 25.812 -9.711 7.222 1.00 0.00 C ATOM 452 CG ARG A 30 25.733 -10.855 8.235 1.00 0.00 C ATOM 453 CD ARG A 30 27.072 -11.595 8.271 1.00 0.00 C ATOM 454 NE ARG A 30 27.222 -12.052 9.680 1.00 0.00 N ATOM 455 CZ ARG A 30 28.402 -12.367 10.146 1.00 0.00 C ATOM 456 NH1 ARG A 30 29.456 -12.282 9.379 1.00 0.00 N ATOM 457 NH2 ARG A 30 28.527 -12.767 11.382 1.00 0.00 N ATOM 0 H ARG A 30 23.846 -9.814 5.878 1.00 0.00 H new ATOM 0 HA ARG A 30 24.355 -8.727 8.526 1.00 0.00 H new ATOM 0 HB2 ARG A 30 25.724 -10.103 6.209 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.783 -9.219 7.290 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.494 -10.464 9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 30 24.932 -11.542 7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.076 -12.438 7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 30 27.893 -10.940 7.979 1.00 0.00 H new ATOM 0 HE ARG A 30 26.402 -12.119 10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 30 29.360 -11.969 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 30 30.375 -12.529 9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 30 27.705 -12.833 11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 30 29.447 -13.013 11.748 1.00 0.00 H new ATOM 471 N ARG A 31 25.203 -6.865 5.983 1.00 0.00 N ATOM 472 CA ARG A 31 25.703 -5.496 5.656 1.00 0.00 C ATOM 473 C ARG A 31 24.555 -4.482 5.564 1.00 0.00 C ATOM 474 O ARG A 31 24.753 -3.298 5.748 1.00 0.00 O ATOM 475 CB ARG A 31 26.382 -5.649 4.295 1.00 0.00 C ATOM 476 CG ARG A 31 27.668 -4.821 4.263 1.00 0.00 C ATOM 477 CD ARG A 31 28.252 -4.846 2.848 1.00 0.00 C ATOM 478 NE ARG A 31 29.668 -5.293 3.026 1.00 0.00 N ATOM 479 CZ ARG A 31 30.130 -6.366 2.422 1.00 0.00 C ATOM 480 NH1 ARG A 31 29.370 -7.091 1.640 1.00 0.00 N ATOM 481 NH2 ARG A 31 31.374 -6.715 2.606 1.00 0.00 N ATOM 0 H ARG A 31 24.888 -7.415 5.184 1.00 0.00 H new ATOM 0 HA ARG A 31 26.376 -5.121 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.609 -6.698 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.708 -5.322 3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 31 27.461 -3.794 4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 31 28.390 -5.222 4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 31 27.699 -5.530 2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.204 -3.861 2.383 1.00 0.00 H new ATOM 0 HE ARG A 31 30.289 -4.754 3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 31 28.396 -6.828 1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 31 29.752 -7.919 1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 31 31.976 -6.158 3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 31 31.745 -7.545 2.143 1.00 0.00 H new ATOM 495 N GLU A 32 23.363 -4.922 5.263 1.00 0.00 N ATOM 496 CA GLU A 32 22.230 -3.953 5.144 1.00 0.00 C ATOM 497 C GLU A 32 21.488 -3.801 6.477 1.00 0.00 C ATOM 498 O GLU A 32 20.852 -2.796 6.727 1.00 0.00 O ATOM 499 CB GLU A 32 21.304 -4.558 4.092 1.00 0.00 C ATOM 500 CG GLU A 32 20.662 -5.827 4.649 1.00 0.00 C ATOM 501 CD GLU A 32 20.207 -6.720 3.492 1.00 0.00 C ATOM 502 OE1 GLU A 32 20.631 -6.470 2.376 1.00 0.00 O ATOM 503 OE2 GLU A 32 19.443 -7.637 3.743 1.00 0.00 O ATOM 0 H GLU A 32 23.124 -5.899 5.095 1.00 0.00 H new ATOM 0 HA GLU A 32 22.581 -2.958 4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.533 -3.839 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.866 -4.789 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 32 21.374 -6.362 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.811 -5.570 5.280 1.00 0.00 H new ATOM 510 N LEU A 33 21.559 -4.781 7.332 1.00 0.00 N ATOM 511 CA LEU A 33 20.850 -4.671 8.640 1.00 0.00 C ATOM 512 C LEU A 33 21.855 -4.485 9.778 1.00 0.00 C ATOM 513 O LEU A 33 22.914 -5.081 9.775 1.00 0.00 O ATOM 514 CB LEU A 33 20.099 -5.992 8.805 1.00 0.00 C ATOM 515 CG LEU A 33 18.613 -5.773 8.514 1.00 0.00 C ATOM 516 CD1 LEU A 33 18.212 -6.580 7.279 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.786 -6.238 9.714 1.00 0.00 C ATOM 0 H LEU A 33 22.074 -5.649 7.185 1.00 0.00 H new ATOM 0 HA LEU A 33 20.177 -3.814 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.507 -6.742 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 33 20.230 -6.373 9.818 1.00 0.00 H new ATOM 0 HG LEU A 33 18.430 -4.714 8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.153 -6.425 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.802 -6.253 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.394 -7.639 7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.727 -6.083 9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.969 -7.297 9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.072 -5.666 10.597 1.00 0.00 H new ATOM 529 N PRO A 34 21.479 -3.664 10.718 1.00 0.00 N ATOM 530 CA PRO A 34 22.389 -3.427 11.869 1.00 0.00 C ATOM 531 C PRO A 34 22.960 -4.759 12.360 1.00 0.00 C ATOM 532 O PRO A 34 22.249 -5.740 12.453 1.00 0.00 O ATOM 533 CB PRO A 34 21.501 -2.790 12.938 1.00 0.00 C ATOM 534 CG PRO A 34 20.275 -2.332 12.218 1.00 0.00 C ATOM 535 CD PRO A 34 20.114 -3.224 11.021 1.00 0.00 C ATOM 0 HA PRO A 34 23.238 -2.792 11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.252 -3.508 13.720 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.007 -1.955 13.422 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.401 -2.394 12.866 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.373 -1.290 11.913 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.462 -4.070 11.239 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.672 -2.688 10.181 1.00 0.00 H new ATOM 543 N PRO A 35 24.231 -4.747 12.657 1.00 0.00 N ATOM 544 CA PRO A 35 24.876 -5.997 13.140 1.00 0.00 C ATOM 545 C PRO A 35 23.938 -6.749 14.088 1.00 0.00 C ATOM 546 O PRO A 35 23.863 -7.962 14.073 1.00 0.00 O ATOM 547 CB PRO A 35 26.118 -5.512 13.884 1.00 0.00 C ATOM 548 CG PRO A 35 25.815 -4.103 14.267 1.00 0.00 C ATOM 549 CD PRO A 35 24.872 -3.556 13.231 1.00 0.00 C ATOM 0 HA PRO A 35 25.117 -6.687 12.331 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.316 -6.126 14.763 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.004 -5.567 13.251 1.00 0.00 H new ATOM 0 HG2 PRO A 35 25.364 -4.062 15.258 1.00 0.00 H new ATOM 0 HG3 PRO A 35 26.729 -3.510 14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 35 24.138 -2.885 13.677 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.405 -2.986 12.470 1.00 0.00 H new ATOM 557 N ASP A 36 23.223 -6.037 14.913 1.00 0.00 N ATOM 558 CA ASP A 36 22.290 -6.704 15.866 1.00 0.00 C ATOM 559 C ASP A 36 21.147 -7.394 15.111 1.00 0.00 C ATOM 560 O ASP A 36 20.795 -8.522 15.397 1.00 0.00 O ATOM 561 CB ASP A 36 21.746 -5.572 16.739 1.00 0.00 C ATOM 562 CG ASP A 36 22.793 -5.184 17.785 1.00 0.00 C ATOM 563 OD1 ASP A 36 23.791 -4.592 17.405 1.00 0.00 O ATOM 564 OD2 ASP A 36 22.579 -5.483 18.948 1.00 0.00 O ATOM 0 H ASP A 36 23.244 -5.019 14.969 1.00 0.00 H new ATOM 0 HA ASP A 36 22.787 -7.476 16.453 1.00 0.00 H new ATOM 0 HB2 ASP A 36 21.497 -4.709 16.121 1.00 0.00 H new ATOM 0 HB3 ASP A 36 20.826 -5.888 17.230 1.00 0.00 H new ATOM 569 N GLN A 37 20.559 -6.724 14.157 1.00 0.00 N ATOM 570 CA GLN A 37 19.432 -7.339 13.396 1.00 0.00 C ATOM 571 C GLN A 37 19.937 -8.472 12.497 1.00 0.00 C ATOM 572 O GLN A 37 19.326 -9.516 12.399 1.00 0.00 O ATOM 573 CB GLN A 37 18.856 -6.201 12.554 1.00 0.00 C ATOM 574 CG GLN A 37 18.510 -5.015 13.459 1.00 0.00 C ATOM 575 CD GLN A 37 17.555 -5.473 14.564 1.00 0.00 C ATOM 576 OE1 GLN A 37 16.932 -6.510 14.454 1.00 0.00 O ATOM 577 NE2 GLN A 37 17.414 -4.737 15.632 1.00 0.00 N ATOM 0 H GLN A 37 20.810 -5.778 13.871 1.00 0.00 H new ATOM 0 HA GLN A 37 18.686 -7.779 14.058 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.577 -5.895 11.796 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.965 -6.541 12.026 1.00 0.00 H new ATOM 0 HG2 GLN A 37 19.418 -4.602 13.898 1.00 0.00 H new ATOM 0 HG3 GLN A 37 18.049 -4.220 12.873 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.937 -3.866 15.724 1.00 0.00 H new ATOM 0 HE22 GLN A 37 16.781 -5.032 16.375 1.00 0.00 H new ATOM 586 N ALA A 38 21.044 -8.274 11.835 1.00 0.00 N ATOM 587 CA ALA A 38 21.575 -9.341 10.937 1.00 0.00 C ATOM 588 C ALA A 38 21.944 -10.588 11.745 1.00 0.00 C ATOM 589 O ALA A 38 21.572 -11.692 11.404 1.00 0.00 O ATOM 590 CB ALA A 38 22.822 -8.731 10.295 1.00 0.00 C ATOM 0 H ALA A 38 21.603 -7.422 11.876 1.00 0.00 H new ATOM 0 HA ALA A 38 20.842 -9.654 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 38 23.274 -9.455 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.544 -7.837 9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.539 -8.465 11.072 1.00 0.00 H new ATOM 596 N GLN A 39 22.674 -10.421 12.813 1.00 0.00 N ATOM 597 CA GLN A 39 23.070 -11.598 13.639 1.00 0.00 C ATOM 598 C GLN A 39 21.831 -12.376 14.093 1.00 0.00 C ATOM 599 O GLN A 39 21.802 -13.590 14.058 1.00 0.00 O ATOM 600 CB GLN A 39 23.800 -11.006 14.845 1.00 0.00 C ATOM 601 CG GLN A 39 24.545 -12.117 15.588 1.00 0.00 C ATOM 602 CD GLN A 39 23.824 -12.428 16.900 1.00 0.00 C ATOM 603 OE1 GLN A 39 22.842 -11.795 17.233 1.00 0.00 O ATOM 604 NE2 GLN A 39 24.273 -13.384 17.666 1.00 0.00 N ATOM 0 H GLN A 39 23.014 -9.520 13.150 1.00 0.00 H new ATOM 0 HA GLN A 39 23.694 -12.297 13.083 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.502 -10.239 14.518 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.087 -10.522 15.513 1.00 0.00 H new ATOM 0 HG2 GLN A 39 24.596 -13.012 14.968 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.571 -11.809 15.789 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.097 -13.916 17.387 1.00 0.00 H new ATOM 0 HE22 GLN A 39 23.800 -13.599 18.543 1.00 0.00 H new ATOM 613 N TYR A 40 20.808 -11.687 14.518 1.00 0.00 N ATOM 614 CA TYR A 40 19.575 -12.390 14.976 1.00 0.00 C ATOM 615 C TYR A 40 18.905 -13.106 13.801 1.00 0.00 C ATOM 616 O TYR A 40 18.459 -14.230 13.920 1.00 0.00 O ATOM 617 CB TYR A 40 18.669 -11.285 15.518 1.00 0.00 C ATOM 618 CG TYR A 40 17.855 -11.824 16.669 1.00 0.00 C ATOM 619 CD1 TYR A 40 16.745 -12.640 16.420 1.00 0.00 C ATOM 620 CD2 TYR A 40 18.208 -11.506 17.986 1.00 0.00 C ATOM 621 CE1 TYR A 40 15.989 -13.140 17.487 1.00 0.00 C ATOM 622 CE2 TYR A 40 17.452 -12.006 19.053 1.00 0.00 C ATOM 623 CZ TYR A 40 16.343 -12.822 18.803 1.00 0.00 C ATOM 624 OH TYR A 40 15.597 -13.314 19.856 1.00 0.00 O ATOM 0 H TYR A 40 20.772 -10.669 14.568 1.00 0.00 H new ATOM 0 HA TYR A 40 19.788 -13.149 15.729 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.269 -10.437 15.848 1.00 0.00 H new ATOM 0 HB3 TYR A 40 18.009 -10.921 14.730 1.00 0.00 H new ATOM 0 HD1 TYR A 40 16.472 -12.884 15.404 1.00 0.00 H new ATOM 0 HD2 TYR A 40 19.063 -10.875 18.179 1.00 0.00 H new ATOM 0 HE1 TYR A 40 15.133 -13.770 17.295 1.00 0.00 H new ATOM 0 HE2 TYR A 40 17.725 -11.762 20.069 1.00 0.00 H new ATOM 0 HH TYR A 40 15.978 -12.999 20.702 1.00 0.00 H new ATOM 634 N CYS A 41 18.827 -12.463 12.669 1.00 0.00 N ATOM 635 CA CYS A 41 18.181 -13.106 11.489 1.00 0.00 C ATOM 636 C CYS A 41 18.987 -14.326 11.037 1.00 0.00 C ATOM 637 O CYS A 41 18.452 -15.401 10.862 1.00 0.00 O ATOM 638 CB CYS A 41 18.180 -12.032 10.403 1.00 0.00 C ATOM 639 SG CYS A 41 17.247 -10.592 10.979 1.00 0.00 S ATOM 0 H CYS A 41 19.182 -11.520 12.509 1.00 0.00 H new ATOM 0 HA CYS A 41 17.175 -13.460 11.714 1.00 0.00 H new ATOM 0 HB2 CYS A 41 19.203 -11.743 10.161 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.735 -12.425 9.489 1.00 0.00 H new ATOM 0 HG CYS A 41 18.005 -9.860 11.740 1.00 0.00 H new ATOM 645 N ILE A 42 20.270 -14.167 10.845 1.00 0.00 N ATOM 646 CA ILE A 42 21.110 -15.318 10.400 1.00 0.00 C ATOM 647 C ILE A 42 20.686 -16.599 11.127 1.00 0.00 C ATOM 648 O ILE A 42 20.769 -17.686 10.594 1.00 0.00 O ATOM 649 CB ILE A 42 22.539 -14.935 10.782 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.994 -13.751 9.925 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.470 -16.126 10.547 1.00 0.00 C ATOM 652 CD1 ILE A 42 23.260 -14.225 8.495 1.00 0.00 C ATOM 0 H ILE A 42 20.773 -13.289 10.977 1.00 0.00 H new ATOM 0 HA ILE A 42 21.010 -15.512 9.332 1.00 0.00 H new ATOM 0 HB ILE A 42 22.571 -14.656 11.835 1.00 0.00 H new ATOM 0 HG12 ILE A 42 22.230 -12.974 9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 42 23.897 -13.310 10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.489 -15.851 10.820 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.145 -16.968 11.158 1.00 0.00 H new ATOM 0 HG23 ILE A 42 23.440 -16.409 9.495 1.00 0.00 H new ATOM 0 HD11 ILE A 42 23.584 -13.381 7.886 1.00 0.00 H new ATOM 0 HD12 ILE A 42 24.040 -14.987 8.503 1.00 0.00 H new ATOM 0 HD13 ILE A 42 22.346 -14.646 8.075 1.00 0.00 H new ATOM 664 N LYS A 43 20.234 -16.472 12.345 1.00 0.00 N ATOM 665 CA LYS A 43 19.804 -17.674 13.117 1.00 0.00 C ATOM 666 C LYS A 43 18.347 -18.030 12.803 1.00 0.00 C ATOM 667 O LYS A 43 18.000 -19.183 12.650 1.00 0.00 O ATOM 668 CB LYS A 43 19.952 -17.272 14.584 1.00 0.00 C ATOM 669 CG LYS A 43 20.627 -18.405 15.359 1.00 0.00 C ATOM 670 CD LYS A 43 19.619 -19.530 15.600 1.00 0.00 C ATOM 671 CE LYS A 43 19.812 -20.094 17.009 1.00 0.00 C ATOM 672 NZ LYS A 43 19.037 -21.367 17.023 1.00 0.00 N ATOM 0 H LYS A 43 20.144 -15.585 12.841 1.00 0.00 H new ATOM 0 HA LYS A 43 20.398 -18.553 12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.543 -16.360 14.664 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.974 -17.056 15.013 1.00 0.00 H new ATOM 0 HG2 LYS A 43 21.483 -18.783 14.800 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.007 -18.033 16.310 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.603 -19.153 15.483 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.754 -20.318 14.859 1.00 0.00 H new ATOM 0 HE2 LYS A 43 20.866 -20.271 17.223 1.00 0.00 H new ATOM 0 HE3 LYS A 43 19.446 -19.400 17.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.121 -21.814 17.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.036 -21.166 16.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.413 -22.010 16.297 1.00 0.00 H new ATOM 686 N ARG A 44 17.490 -17.049 12.719 1.00 0.00 N ATOM 687 CA ARG A 44 16.055 -17.334 12.429 1.00 0.00 C ATOM 688 C ARG A 44 15.903 -17.960 11.042 1.00 0.00 C ATOM 689 O ARG A 44 15.665 -19.143 10.907 1.00 0.00 O ATOM 690 CB ARG A 44 15.360 -15.974 12.489 1.00 0.00 C ATOM 691 CG ARG A 44 15.417 -15.433 13.919 1.00 0.00 C ATOM 692 CD ARG A 44 14.628 -16.358 14.849 1.00 0.00 C ATOM 693 NE ARG A 44 13.749 -15.451 15.639 1.00 0.00 N ATOM 694 CZ ARG A 44 13.061 -15.915 16.649 1.00 0.00 C ATOM 695 NH1 ARG A 44 13.138 -17.179 16.969 1.00 0.00 N ATOM 696 NH2 ARG A 44 12.296 -15.114 17.337 1.00 0.00 N ATOM 0 H ARG A 44 17.721 -16.063 12.839 1.00 0.00 H new ATOM 0 HA ARG A 44 15.625 -18.041 13.138 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.844 -15.276 11.806 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.323 -16.069 12.166 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.453 -15.364 14.251 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.003 -14.425 13.954 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.042 -17.081 14.282 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.294 -16.927 15.498 1.00 0.00 H new ATOM 0 HE ARG A 44 13.684 -14.464 15.391 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.736 -17.806 16.430 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.600 -17.539 17.757 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.235 -14.127 17.087 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.758 -15.474 18.125 1.00 0.00 H new ATOM 710 N MET A 45 16.033 -17.177 10.006 1.00 0.00 N ATOM 711 CA MET A 45 15.888 -17.736 8.634 1.00 0.00 C ATOM 712 C MET A 45 16.882 -18.882 8.422 1.00 0.00 C ATOM 713 O MET A 45 18.080 -18.698 8.512 1.00 0.00 O ATOM 714 CB MET A 45 16.185 -16.568 7.690 1.00 0.00 C ATOM 715 CG MET A 45 17.538 -15.938 8.035 1.00 0.00 C ATOM 716 SD MET A 45 17.925 -14.645 6.829 1.00 0.00 S ATOM 717 CE MET A 45 16.263 -13.937 6.717 1.00 0.00 C ATOM 0 H MET A 45 16.233 -16.178 10.051 1.00 0.00 H new ATOM 0 HA MET A 45 14.895 -18.148 8.458 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.192 -16.918 6.658 1.00 0.00 H new ATOM 0 HB3 MET A 45 15.397 -15.819 7.768 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.510 -15.517 9.040 1.00 0.00 H new ATOM 0 HG3 MET A 45 18.318 -16.700 8.031 1.00 0.00 H new ATOM 0 HE1 MET A 45 16.323 -12.932 6.299 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.644 -14.562 6.073 1.00 0.00 H new ATOM 0 HE3 MET A 45 15.820 -13.890 7.712 1.00 0.00 H new ATOM 727 N PRO A 46 16.340 -20.038 8.151 1.00 0.00 N ATOM 728 CA PRO A 46 17.217 -21.217 7.933 1.00 0.00 C ATOM 729 C PRO A 46 17.819 -21.176 6.527 1.00 0.00 C ATOM 730 O PRO A 46 17.756 -20.174 5.843 1.00 0.00 O ATOM 731 CB PRO A 46 16.288 -22.426 8.085 1.00 0.00 C ATOM 732 CG PRO A 46 15.008 -21.890 8.644 1.00 0.00 C ATOM 733 CD PRO A 46 14.938 -20.438 8.274 1.00 0.00 C ATOM 0 HA PRO A 46 18.052 -21.250 8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 46 16.121 -22.914 7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 46 16.723 -23.172 8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.154 -22.432 8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.979 -22.013 9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.397 -20.290 7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.422 -19.856 9.037 1.00 0.00 H new ATOM 741 N ALA A 47 18.400 -22.259 6.087 1.00 0.00 N ATOM 742 CA ALA A 47 19.003 -22.280 4.725 1.00 0.00 C ATOM 743 C ALA A 47 17.932 -22.605 3.680 1.00 0.00 C ATOM 744 O ALA A 47 17.078 -23.443 3.892 1.00 0.00 O ATOM 745 CB ALA A 47 20.060 -23.383 4.773 1.00 0.00 C ATOM 0 H ALA A 47 18.483 -23.130 6.612 1.00 0.00 H new ATOM 0 HA ALA A 47 19.435 -21.318 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 47 20.550 -23.460 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 47 20.801 -23.144 5.536 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.584 -24.333 5.015 1.00 0.00 H new ATOM 751 N TYR A 48 17.970 -21.947 2.554 1.00 0.00 N ATOM 752 CA TYR A 48 16.954 -22.216 1.497 1.00 0.00 C ATOM 753 C TYR A 48 17.184 -23.600 0.883 1.00 0.00 C ATOM 754 O TYR A 48 18.048 -23.785 0.049 1.00 0.00 O ATOM 755 CB TYR A 48 17.178 -21.122 0.452 1.00 0.00 C ATOM 756 CG TYR A 48 16.344 -21.412 -0.773 1.00 0.00 C ATOM 757 CD1 TYR A 48 14.965 -21.618 -0.649 1.00 0.00 C ATOM 758 CD2 TYR A 48 16.951 -21.475 -2.033 1.00 0.00 C ATOM 759 CE1 TYR A 48 14.193 -21.886 -1.787 1.00 0.00 C ATOM 760 CE2 TYR A 48 16.179 -21.742 -3.170 1.00 0.00 C ATOM 761 CZ TYR A 48 14.801 -21.948 -3.047 1.00 0.00 C ATOM 762 OH TYR A 48 14.039 -22.211 -4.167 1.00 0.00 O ATOM 0 H TYR A 48 18.661 -21.234 2.320 1.00 0.00 H new ATOM 0 HA TYR A 48 15.936 -22.208 1.887 1.00 0.00 H new ATOM 0 HB2 TYR A 48 16.909 -20.150 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 48 18.233 -21.073 0.183 1.00 0.00 H new ATOM 0 HD1 TYR A 48 14.497 -21.570 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 48 18.015 -21.318 -2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.129 -22.045 -1.693 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.647 -21.789 -4.142 1.00 0.00 H new ATOM 0 HH TYR A 48 14.615 -22.218 -4.960 1.00 0.00 H new ATOM 772 N SER A 49 16.415 -24.575 1.290 1.00 0.00 N ATOM 773 CA SER A 49 16.591 -25.946 0.729 1.00 0.00 C ATOM 774 C SER A 49 15.817 -26.083 -0.584 1.00 0.00 C ATOM 775 O SER A 49 14.648 -26.413 -0.595 1.00 0.00 O ATOM 776 CB SER A 49 16.016 -26.884 1.789 1.00 0.00 C ATOM 777 OG SER A 49 14.802 -26.339 2.288 1.00 0.00 O ATOM 0 H SER A 49 15.674 -24.482 1.985 1.00 0.00 H new ATOM 0 HA SER A 49 17.634 -26.171 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.837 -27.870 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.731 -27.015 2.602 1.00 0.00 H new ATOM 0 HG SER A 49 14.210 -26.119 1.539 1.00 0.00 H new ATOM 783 N GLY A 50 16.459 -25.830 -1.692 1.00 0.00 N ATOM 784 CA GLY A 50 15.757 -25.947 -3.001 1.00 0.00 C ATOM 785 C GLY A 50 16.532 -26.901 -3.912 1.00 0.00 C ATOM 786 O GLY A 50 17.382 -27.642 -3.458 1.00 0.00 O ATOM 0 H GLY A 50 17.438 -25.548 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.742 -26.315 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.674 -24.967 -3.470 1.00 0.00 H new ATOM 790 N PRO A 51 16.209 -26.848 -5.175 1.00 0.00 N ATOM 791 CA PRO A 51 16.910 -27.738 -6.140 1.00 0.00 C ATOM 792 C PRO A 51 18.236 -27.108 -6.571 1.00 0.00 C ATOM 793 O PRO A 51 19.282 -27.724 -6.496 1.00 0.00 O ATOM 794 CB PRO A 51 15.953 -27.847 -7.326 1.00 0.00 C ATOM 795 CG PRO A 51 15.018 -26.691 -7.187 1.00 0.00 C ATOM 796 CD PRO A 51 14.935 -26.369 -5.722 1.00 0.00 C ATOM 0 HA PRO A 51 17.150 -28.713 -5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 51 16.493 -27.804 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 51 15.413 -28.794 -7.310 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.380 -25.832 -7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 51 14.034 -26.941 -7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.808 -25.299 -5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.087 -26.868 -5.252 1.00 0.00 H new ATOM 804 N GLY A 52 18.202 -25.883 -7.019 1.00 0.00 N ATOM 805 CA GLY A 52 19.460 -25.213 -7.451 1.00 0.00 C ATOM 806 C GLY A 52 19.947 -24.284 -6.339 1.00 0.00 C ATOM 807 O GLY A 52 20.841 -24.617 -5.586 1.00 0.00 O ATOM 0 H GLY A 52 17.357 -25.318 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 52 20.223 -25.958 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 52 19.287 -24.645 -8.365 1.00 0.00 H new ATOM 811 N SER A 53 19.369 -23.120 -6.230 1.00 0.00 N ATOM 812 CA SER A 53 19.793 -22.172 -5.171 1.00 0.00 C ATOM 813 C SER A 53 21.295 -21.928 -5.254 1.00 0.00 C ATOM 814 O SER A 53 21.982 -22.451 -6.110 1.00 0.00 O ATOM 815 CB SER A 53 19.435 -22.854 -3.853 1.00 0.00 C ATOM 816 OG SER A 53 20.122 -22.206 -2.789 1.00 0.00 O ATOM 0 H SER A 53 18.618 -22.786 -6.834 1.00 0.00 H new ATOM 0 HA SER A 53 19.306 -21.202 -5.270 1.00 0.00 H new ATOM 0 HB2 SER A 53 18.359 -22.809 -3.687 1.00 0.00 H new ATOM 0 HB3 SER A 53 19.708 -23.909 -3.889 1.00 0.00 H new ATOM 0 HG SER A 53 19.894 -22.640 -1.940 1.00 0.00 H new ATOM 822 N VAL A 54 21.802 -21.136 -4.363 1.00 0.00 N ATOM 823 CA VAL A 54 23.263 -20.839 -4.363 1.00 0.00 C ATOM 824 C VAL A 54 23.825 -20.949 -2.943 1.00 0.00 C ATOM 825 O VAL A 54 23.082 -20.986 -1.981 1.00 0.00 O ATOM 826 CB VAL A 54 23.373 -19.403 -4.874 1.00 0.00 C ATOM 827 CG1 VAL A 54 22.545 -19.250 -6.151 1.00 0.00 C ATOM 828 CG2 VAL A 54 22.846 -18.441 -3.807 1.00 0.00 C ATOM 0 H VAL A 54 21.268 -20.675 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 54 23.827 -21.537 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 54 24.417 -19.173 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 54 22.624 -18.226 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 54 22.919 -19.935 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 54 21.501 -19.480 -5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 54 22.924 -17.416 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 54 21.802 -18.672 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.436 -18.549 -2.897 1.00 0.00 H new ATOM 838 N PRO A 55 25.127 -21.000 -2.862 1.00 0.00 N ATOM 839 CA PRO A 55 25.764 -21.109 -1.521 1.00 0.00 C ATOM 840 C PRO A 55 25.597 -19.801 -0.744 1.00 0.00 C ATOM 841 O PRO A 55 26.275 -18.825 -0.998 1.00 0.00 O ATOM 842 CB PRO A 55 27.240 -21.373 -1.817 1.00 0.00 C ATOM 843 CG PRO A 55 27.438 -20.979 -3.243 1.00 0.00 C ATOM 844 CD PRO A 55 26.115 -21.149 -3.935 1.00 0.00 C ATOM 0 HA PRO A 55 25.318 -21.894 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 55 27.883 -20.791 -1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 55 27.490 -22.423 -1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 55 27.780 -19.946 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 55 28.201 -21.600 -3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 55 25.974 -20.400 -4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 55 26.039 -22.125 -4.414 1.00 0.00 H new ATOM 852 N GLY A 56 24.698 -19.773 0.202 1.00 0.00 N ATOM 853 CA GLY A 56 24.490 -18.530 0.995 1.00 0.00 C ATOM 854 C GLY A 56 23.037 -18.069 0.861 1.00 0.00 C ATOM 855 O GLY A 56 22.701 -16.944 1.173 1.00 0.00 O ATOM 0 H GLY A 56 24.099 -20.558 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 56 24.729 -18.712 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 56 25.164 -17.747 0.646 1.00 0.00 H new ATOM 859 N ALA A 57 22.170 -18.928 0.397 1.00 0.00 N ATOM 860 CA ALA A 57 20.740 -18.533 0.243 1.00 0.00 C ATOM 861 C ALA A 57 19.959 -18.868 1.518 1.00 0.00 C ATOM 862 O ALA A 57 19.897 -20.007 1.937 1.00 0.00 O ATOM 863 CB ALA A 57 20.223 -19.361 -0.934 1.00 0.00 C ATOM 0 H ALA A 57 22.389 -19.884 0.118 1.00 0.00 H new ATOM 0 HA ALA A 57 20.624 -17.463 0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.173 -19.126 -1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.803 -19.126 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.324 -20.422 -0.705 1.00 0.00 H new ATOM 869 N LEU A 58 19.364 -17.886 2.135 1.00 0.00 N ATOM 870 CA LEU A 58 18.587 -18.148 3.381 1.00 0.00 C ATOM 871 C LEU A 58 17.109 -17.814 3.159 1.00 0.00 C ATOM 872 O LEU A 58 16.759 -17.078 2.259 1.00 0.00 O ATOM 873 CB LEU A 58 19.195 -17.216 4.432 1.00 0.00 C ATOM 874 CG LEU A 58 20.663 -17.584 4.670 1.00 0.00 C ATOM 875 CD1 LEU A 58 20.802 -19.102 4.799 1.00 0.00 C ATOM 876 CD2 LEU A 58 21.508 -17.093 3.493 1.00 0.00 C ATOM 0 H LEU A 58 19.381 -16.912 1.831 1.00 0.00 H new ATOM 0 HA LEU A 58 18.636 -19.193 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 58 19.120 -16.181 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.636 -17.292 5.365 1.00 0.00 H new ATOM 0 HG LEU A 58 21.008 -17.112 5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 58 21.848 -19.359 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 58 20.202 -19.452 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.455 -19.578 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 58 22.553 -17.354 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 58 21.160 -17.564 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 58 21.414 -16.011 3.404 1.00 0.00 H new ATOM 888 N ASP A 59 16.240 -18.350 3.972 1.00 0.00 N ATOM 889 CA ASP A 59 14.787 -18.061 3.802 1.00 0.00 C ATOM 890 C ASP A 59 14.289 -17.169 4.942 1.00 0.00 C ATOM 891 O ASP A 59 14.264 -17.568 6.090 1.00 0.00 O ATOM 892 CB ASP A 59 14.101 -19.427 3.849 1.00 0.00 C ATOM 893 CG ASP A 59 14.342 -20.163 2.531 1.00 0.00 C ATOM 894 OD1 ASP A 59 14.883 -19.552 1.624 1.00 0.00 O ATOM 895 OD2 ASP A 59 13.981 -21.326 2.450 1.00 0.00 O ATOM 0 H ASP A 59 16.472 -18.974 4.745 1.00 0.00 H new ATOM 0 HA ASP A 59 14.577 -17.533 2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.490 -20.013 4.682 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.031 -19.303 4.019 1.00 0.00 H new ATOM 900 N TYR A 60 13.891 -15.964 4.635 1.00 0.00 N ATOM 901 CA TYR A 60 13.394 -15.048 5.702 1.00 0.00 C ATOM 902 C TYR A 60 11.913 -15.316 5.977 1.00 0.00 C ATOM 903 O TYR A 60 11.413 -15.044 7.051 1.00 0.00 O ATOM 904 CB TYR A 60 13.588 -13.640 5.139 1.00 0.00 C ATOM 905 CG TYR A 60 12.904 -13.533 3.798 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.513 -13.381 3.731 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.659 -13.585 2.620 1.00 0.00 C ATOM 908 CE1 TYR A 60 10.879 -13.281 2.486 1.00 0.00 C ATOM 909 CE2 TYR A 60 13.026 -13.485 1.377 1.00 0.00 C ATOM 910 CZ TYR A 60 11.635 -13.332 1.309 1.00 0.00 C ATOM 911 OH TYR A 60 11.011 -13.234 0.083 1.00 0.00 O ATOM 0 H TYR A 60 13.888 -15.574 3.692 1.00 0.00 H new ATOM 0 HA TYR A 60 13.924 -15.185 6.645 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.177 -12.902 5.828 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.651 -13.422 5.035 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.930 -13.341 4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.731 -13.702 2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.807 -13.165 2.434 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.610 -13.526 0.469 1.00 0.00 H new ATOM 0 HH TYR A 60 11.684 -13.096 -0.616 1.00 0.00 H new ATOM 921 N ALA A 61 11.207 -15.848 5.017 1.00 0.00 N ATOM 922 CA ALA A 61 9.761 -16.133 5.231 1.00 0.00 C ATOM 923 C ALA A 61 9.583 -17.036 6.451 1.00 0.00 C ATOM 924 O ALA A 61 8.636 -16.905 7.201 1.00 0.00 O ATOM 925 CB ALA A 61 9.303 -16.850 3.961 1.00 0.00 C ATOM 0 H ALA A 61 11.568 -16.097 4.096 1.00 0.00 H new ATOM 0 HA ALA A 61 9.183 -15.228 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.244 -17.094 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.460 -16.201 3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.878 -17.767 3.834 1.00 0.00 H new ATOM 931 N ALA A 62 10.492 -17.949 6.660 1.00 0.00 N ATOM 932 CA ALA A 62 10.377 -18.855 7.836 1.00 0.00 C ATOM 933 C ALA A 62 10.579 -18.064 9.125 1.00 0.00 C ATOM 934 O ALA A 62 9.994 -18.355 10.148 1.00 0.00 O ATOM 935 CB ALA A 62 11.488 -19.890 7.655 1.00 0.00 C ATOM 0 H ALA A 62 11.308 -18.106 6.068 1.00 0.00 H new ATOM 0 HA ALA A 62 9.396 -19.326 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.467 -20.595 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.336 -20.427 6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.454 -19.386 7.631 1.00 0.00 H new ATOM 941 N PHE A 63 11.404 -17.061 9.075 1.00 0.00 N ATOM 942 CA PHE A 63 11.653 -16.235 10.291 1.00 0.00 C ATOM 943 C PHE A 63 10.425 -15.375 10.602 1.00 0.00 C ATOM 944 O PHE A 63 10.124 -15.096 11.746 1.00 0.00 O ATOM 945 CB PHE A 63 12.849 -15.351 9.935 1.00 0.00 C ATOM 946 CG PHE A 63 13.045 -14.304 11.007 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.575 -14.533 12.307 1.00 0.00 C ATOM 948 CD2 PHE A 63 13.696 -13.102 10.701 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.756 -13.562 13.298 1.00 0.00 C ATOM 950 CE2 PHE A 63 13.877 -12.131 11.694 1.00 0.00 C ATOM 951 CZ PHE A 63 13.407 -12.362 12.993 1.00 0.00 C ATOM 0 H PHE A 63 11.920 -16.774 8.243 1.00 0.00 H new ATOM 0 HA PHE A 63 11.848 -16.846 11.172 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.748 -15.960 9.839 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.685 -14.871 8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 63 12.073 -15.459 12.544 1.00 0.00 H new ATOM 0 HD2 PHE A 63 14.058 -12.924 9.699 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.393 -13.739 14.300 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.379 -11.204 11.458 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.547 -11.614 13.759 1.00 0.00 H new ATOM 961 N SER A 64 9.715 -14.953 9.593 1.00 0.00 N ATOM 962 CA SER A 64 8.507 -14.110 9.829 1.00 0.00 C ATOM 963 C SER A 64 7.427 -14.919 10.552 1.00 0.00 C ATOM 964 O SER A 64 6.841 -14.467 11.516 1.00 0.00 O ATOM 965 CB SER A 64 8.031 -13.705 8.435 1.00 0.00 C ATOM 966 OG SER A 64 6.908 -12.843 8.556 1.00 0.00 O ATOM 0 H SER A 64 9.918 -15.155 8.614 1.00 0.00 H new ATOM 0 HA SER A 64 8.724 -13.244 10.455 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.834 -13.202 7.896 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.764 -14.590 7.857 1.00 0.00 H new ATOM 0 HG SER A 64 6.410 -12.834 7.712 1.00 0.00 H new ATOM 972 N SER A 65 7.155 -16.110 10.093 1.00 0.00 N ATOM 973 CA SER A 65 6.110 -16.944 10.754 1.00 0.00 C ATOM 974 C SER A 65 6.546 -17.318 12.173 1.00 0.00 C ATOM 975 O SER A 65 5.745 -17.379 13.084 1.00 0.00 O ATOM 976 CB SER A 65 5.992 -18.194 9.883 1.00 0.00 C ATOM 977 OG SER A 65 5.462 -19.260 10.661 1.00 0.00 O ATOM 0 H SER A 65 7.611 -16.542 9.289 1.00 0.00 H new ATOM 0 HA SER A 65 5.160 -16.418 10.844 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.345 -17.996 9.028 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.969 -18.469 9.487 1.00 0.00 H new ATOM 0 HG SER A 65 5.383 -20.063 10.105 1.00 0.00 H new ATOM 983 N ALA A 66 7.813 -17.571 12.368 1.00 0.00 N ATOM 984 CA ALA A 66 8.296 -17.941 13.729 1.00 0.00 C ATOM 985 C ALA A 66 8.350 -16.702 14.628 1.00 0.00 C ATOM 986 O ALA A 66 8.202 -16.788 15.830 1.00 0.00 O ATOM 987 CB ALA A 66 9.700 -18.506 13.511 1.00 0.00 C ATOM 0 H ALA A 66 8.532 -17.537 11.645 1.00 0.00 H new ATOM 0 HA ALA A 66 7.638 -18.659 14.219 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.126 -18.803 14.470 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.645 -19.374 12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.332 -17.745 13.054 1.00 0.00 H new ATOM 993 N LEU A 67 8.560 -15.549 14.053 1.00 0.00 N ATOM 994 CA LEU A 67 8.623 -14.307 14.869 1.00 0.00 C ATOM 995 C LEU A 67 7.204 -13.858 15.231 1.00 0.00 C ATOM 996 O LEU A 67 6.918 -13.506 16.358 1.00 0.00 O ATOM 997 CB LEU A 67 9.321 -13.298 13.948 1.00 0.00 C ATOM 998 CG LEU A 67 8.724 -11.899 14.120 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.833 -11.470 15.584 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.487 -10.907 13.239 1.00 0.00 C ATOM 0 H LEU A 67 8.691 -15.415 13.050 1.00 0.00 H new ATOM 0 HA LEU A 67 9.154 -14.427 15.813 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.388 -13.273 14.171 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.220 -13.616 12.910 1.00 0.00 H new ATOM 0 HG LEU A 67 7.675 -11.915 13.826 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.407 -10.474 15.704 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.288 -12.175 16.211 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.881 -11.455 15.882 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.062 -9.911 13.361 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.537 -10.892 13.532 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.406 -11.210 12.195 1.00 0.00 H new ATOM 1012 N TYR A 68 6.320 -13.870 14.279 1.00 0.00 N ATOM 1013 CA TYR A 68 4.916 -13.447 14.552 1.00 0.00 C ATOM 1014 C TYR A 68 4.054 -14.663 14.903 1.00 0.00 C ATOM 1015 O TYR A 68 3.039 -14.547 15.559 1.00 0.00 O ATOM 1016 CB TYR A 68 4.435 -12.806 13.249 1.00 0.00 C ATOM 1017 CG TYR A 68 4.831 -11.348 13.229 1.00 0.00 C ATOM 1018 CD1 TYR A 68 4.250 -10.451 14.133 1.00 0.00 C ATOM 1019 CD2 TYR A 68 5.780 -10.894 12.305 1.00 0.00 C ATOM 1020 CE1 TYR A 68 4.616 -9.100 14.113 1.00 0.00 C ATOM 1021 CE2 TYR A 68 6.147 -9.543 12.285 1.00 0.00 C ATOM 1022 CZ TYR A 68 5.565 -8.647 13.189 1.00 0.00 C ATOM 1023 OH TYR A 68 5.926 -7.315 13.169 1.00 0.00 O ATOM 0 H TYR A 68 6.506 -14.155 13.318 1.00 0.00 H new ATOM 0 HA TYR A 68 4.849 -12.758 15.394 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.870 -13.324 12.394 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.353 -12.901 13.162 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.519 -10.801 14.846 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.229 -11.586 11.608 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.167 -8.408 14.810 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.879 -9.192 11.572 1.00 0.00 H new ATOM 0 HH TYR A 68 6.116 -7.014 14.082 1.00 0.00 H new ATOM 1033 N GLY A 69 4.452 -15.828 14.471 1.00 0.00 N ATOM 1034 CA GLY A 69 3.654 -17.049 14.780 1.00 0.00 C ATOM 1035 C GLY A 69 4.158 -17.675 16.082 1.00 0.00 C ATOM 1036 O GLY A 69 4.539 -18.828 16.120 1.00 0.00 O ATOM 0 H GLY A 69 5.294 -15.988 13.918 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.599 -16.792 14.873 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.737 -17.766 13.964 1.00 0.00 H new ATOM 1040 N GLU A 70 4.163 -16.925 17.149 1.00 0.00 N ATOM 1041 CA GLU A 70 4.642 -17.480 18.447 1.00 0.00 C ATOM 1042 C GLU A 70 6.044 -18.073 18.282 1.00 0.00 C ATOM 1043 O GLU A 70 6.588 -18.112 17.197 1.00 0.00 O ATOM 1044 CB GLU A 70 3.635 -18.573 18.807 1.00 0.00 C ATOM 1045 CG GLU A 70 3.748 -18.903 20.296 1.00 0.00 C ATOM 1046 CD GLU A 70 2.396 -19.396 20.814 1.00 0.00 C ATOM 1047 OE1 GLU A 70 1.387 -18.877 20.363 1.00 0.00 O ATOM 1048 OE2 GLU A 70 2.392 -20.282 21.653 1.00 0.00 O ATOM 0 H GLU A 70 3.857 -15.953 17.179 1.00 0.00 H new ATOM 0 HA GLU A 70 4.709 -16.718 19.223 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.623 -18.241 18.573 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.823 -19.466 18.211 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.510 -19.667 20.453 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.062 -18.020 20.852 1.00 0.00 H new ATOM 1055 N SER A 71 6.631 -18.537 19.352 1.00 0.00 N ATOM 1056 CA SER A 71 7.998 -19.127 19.256 1.00 0.00 C ATOM 1057 C SER A 71 8.052 -20.462 20.003 1.00 0.00 C ATOM 1058 O SER A 71 7.896 -20.516 21.207 1.00 0.00 O ATOM 1059 CB SER A 71 8.918 -18.103 19.918 1.00 0.00 C ATOM 1060 OG SER A 71 8.784 -18.196 21.330 1.00 0.00 O ATOM 0 H SER A 71 6.224 -18.533 20.287 1.00 0.00 H new ATOM 0 HA SER A 71 8.289 -19.330 18.225 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.953 -18.284 19.626 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.664 -17.098 19.582 1.00 0.00 H new ATOM 0 HG SER A 71 8.020 -18.769 21.549 1.00 0.00 H new ATOM 1066 N ASP A 72 8.272 -21.539 19.300 1.00 0.00 N ATOM 1067 CA ASP A 72 8.336 -22.869 19.972 1.00 0.00 C ATOM 1068 C ASP A 72 9.620 -22.985 20.799 1.00 0.00 C ATOM 1069 O ASP A 72 10.681 -22.571 20.376 1.00 0.00 O ATOM 1070 CB ASP A 72 8.341 -23.888 18.832 1.00 0.00 C ATOM 1071 CG ASP A 72 7.018 -23.804 18.067 1.00 0.00 C ATOM 1072 OD1 ASP A 72 6.350 -22.790 18.185 1.00 0.00 O ATOM 1073 OD2 ASP A 72 6.696 -24.756 17.375 1.00 0.00 O ATOM 0 H ASP A 72 8.410 -21.556 18.290 1.00 0.00 H new ATOM 0 HA ASP A 72 7.502 -23.025 20.657 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.176 -23.692 18.159 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.481 -24.893 19.229 1.00 0.00 H new ATOM 1078 N LEU A 73 9.531 -23.544 21.975 1.00 0.00 N ATOM 1079 CA LEU A 73 10.747 -23.686 22.826 1.00 0.00 C ATOM 1080 C LEU A 73 10.768 -25.064 23.493 1.00 0.00 C ATOM 1081 O LEU A 73 11.805 -25.555 23.895 1.00 0.00 O ATOM 1082 CB LEU A 73 10.627 -22.583 23.878 1.00 0.00 C ATOM 1083 CG LEU A 73 11.989 -21.919 24.081 1.00 0.00 C ATOM 1084 CD1 LEU A 73 12.987 -22.952 24.606 1.00 0.00 C ATOM 1085 CD2 LEU A 73 12.488 -21.361 22.746 1.00 0.00 C ATOM 0 H LEU A 73 8.670 -23.908 22.383 1.00 0.00 H new ATOM 0 HA LEU A 73 11.667 -23.599 22.248 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.893 -21.842 23.561 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.271 -23.001 24.819 1.00 0.00 H new ATOM 0 HG LEU A 73 11.893 -21.107 24.802 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.958 -22.479 24.751 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.632 -23.350 25.557 1.00 0.00 H new ATOM 0 HD13 LEU A 73 13.083 -23.764 23.885 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.459 -20.887 22.890 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.584 -22.173 22.025 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.777 -20.625 22.371 1.00 0.00 H new TER 1097 LEU A 73 ATOM 1098 N GLY B 7 11.845 7.066 -1.187 1.00 0.00 N ATOM 1099 CA GLY B 7 12.640 5.813 -1.050 1.00 0.00 C ATOM 1100 C GLY B 7 11.701 4.638 -0.779 1.00 0.00 C ATOM 1101 O GLY B 7 10.514 4.812 -0.584 1.00 0.00 O ATOM 0 HA2 GLY B 7 13.212 5.632 -1.960 1.00 0.00 H new ATOM 0 HA3 GLY B 7 13.358 5.913 -0.236 1.00 0.00 H new ATOM 1105 N LYS B 8 12.222 3.442 -0.763 1.00 0.00 N ATOM 1106 CA LYS B 8 11.358 2.256 -0.502 1.00 0.00 C ATOM 1107 C LYS B 8 12.166 1.161 0.199 1.00 0.00 C ATOM 1108 O LYS B 8 11.719 0.565 1.159 1.00 0.00 O ATOM 1109 CB LYS B 8 10.900 1.787 -1.884 1.00 0.00 C ATOM 1110 CG LYS B 8 9.517 2.368 -2.188 1.00 0.00 C ATOM 1111 CD LYS B 8 8.536 1.228 -2.474 1.00 0.00 C ATOM 1112 CE LYS B 8 7.150 1.808 -2.767 1.00 0.00 C ATOM 1113 NZ LYS B 8 6.215 0.659 -2.618 1.00 0.00 N ATOM 0 H LYS B 8 13.208 3.235 -0.919 1.00 0.00 H new ATOM 0 HA LYS B 8 10.514 2.492 0.146 1.00 0.00 H new ATOM 0 HB2 LYS B 8 11.615 2.105 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.864 0.698 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.166 2.961 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.573 3.038 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS B 8 8.883 0.640 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS B 8 8.486 0.554 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS B 8 6.903 2.611 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS B 8 7.102 2.229 -3.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 5.242 0.977 -2.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 6.471 -0.087 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 6.278 0.284 -1.650 1.00 0.00 H new ATOM 1127 N LYS B 9 13.353 0.893 -0.272 1.00 0.00 N ATOM 1128 CA LYS B 9 14.188 -0.161 0.372 1.00 0.00 C ATOM 1129 C LYS B 9 14.486 0.219 1.824 1.00 0.00 C ATOM 1130 O LYS B 9 14.304 -0.567 2.732 1.00 0.00 O ATOM 1131 CB LYS B 9 15.477 -0.205 -0.447 1.00 0.00 C ATOM 1132 CG LYS B 9 16.010 -1.638 -0.479 1.00 0.00 C ATOM 1133 CD LYS B 9 17.521 -1.615 -0.710 1.00 0.00 C ATOM 1134 CE LYS B 9 17.826 -0.870 -2.011 1.00 0.00 C ATOM 1135 NZ LYS B 9 19.310 -0.760 -2.053 1.00 0.00 N ATOM 0 H LYS B 9 13.780 1.357 -1.073 1.00 0.00 H new ATOM 0 HA LYS B 9 13.688 -1.129 0.392 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.289 0.147 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.221 0.462 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS B 9 15.783 -2.143 0.460 1.00 0.00 H new ATOM 0 HG3 LYS B 9 15.519 -2.202 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.020 -1.127 0.127 1.00 0.00 H new ATOM 0 HD3 LYS B 9 17.907 -2.633 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS B 9 17.446 -1.414 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS B 9 17.357 0.114 -2.022 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 19.597 -0.260 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 19.643 -0.232 -1.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 19.729 -1.712 -2.049 1.00 0.00 H new ATOM 1149 N ALA B 10 14.939 1.422 2.051 1.00 0.00 N ATOM 1150 CA ALA B 10 15.244 1.851 3.446 1.00 0.00 C ATOM 1151 C ALA B 10 14.012 1.657 4.333 1.00 0.00 C ATOM 1152 O ALA B 10 14.113 1.261 5.477 1.00 0.00 O ATOM 1153 CB ALA B 10 15.598 3.334 3.337 1.00 0.00 C ATOM 0 H ALA B 10 15.111 2.125 1.332 1.00 0.00 H new ATOM 0 HA ALA B 10 16.054 1.273 3.891 1.00 0.00 H new ATOM 0 HB1 ALA B 10 15.836 3.725 4.326 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.461 3.455 2.682 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.750 3.881 2.925 1.00 0.00 H new ATOM 1159 N GLU B 11 12.846 1.924 3.808 1.00 0.00 N ATOM 1160 CA GLU B 11 11.607 1.748 4.618 1.00 0.00 C ATOM 1161 C GLU B 11 11.401 0.266 4.935 1.00 0.00 C ATOM 1162 O GLU B 11 11.009 -0.099 6.026 1.00 0.00 O ATOM 1163 CB GLU B 11 10.475 2.271 3.735 1.00 0.00 C ATOM 1164 CG GLU B 11 9.229 2.505 4.591 1.00 0.00 C ATOM 1165 CD GLU B 11 9.280 3.910 5.195 1.00 0.00 C ATOM 1166 OE1 GLU B 11 10.352 4.490 5.203 1.00 0.00 O ATOM 1167 OE2 GLU B 11 8.245 4.381 5.639 1.00 0.00 O ATOM 0 H GLU B 11 12.699 2.256 2.855 1.00 0.00 H new ATOM 0 HA GLU B 11 11.653 2.278 5.570 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.776 3.200 3.251 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.256 1.555 2.943 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.331 2.391 3.984 1.00 0.00 H new ATOM 0 HG3 GLU B 11 9.174 1.759 5.384 1.00 0.00 H new ATOM 1174 N ALA B 12 11.663 -0.591 3.987 1.00 0.00 N ATOM 1175 CA ALA B 12 11.484 -2.050 4.229 1.00 0.00 C ATOM 1176 C ALA B 12 12.431 -2.519 5.338 1.00 0.00 C ATOM 1177 O ALA B 12 12.086 -3.355 6.149 1.00 0.00 O ATOM 1178 CB ALA B 12 11.837 -2.718 2.900 1.00 0.00 C ATOM 0 H ALA B 12 11.994 -0.343 3.054 1.00 0.00 H new ATOM 0 HA ALA B 12 10.472 -2.297 4.550 1.00 0.00 H new ATOM 0 HB1 ALA B 12 11.730 -3.798 2.996 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.167 -2.355 2.121 1.00 0.00 H new ATOM 0 HB3 ALA B 12 12.866 -2.478 2.634 1.00 0.00 H new ATOM 1184 N VAL B 13 13.621 -1.983 5.383 1.00 0.00 N ATOM 1185 CA VAL B 13 14.584 -2.398 6.445 1.00 0.00 C ATOM 1186 C VAL B 13 14.022 -2.041 7.824 1.00 0.00 C ATOM 1187 O VAL B 13 14.129 -2.802 8.765 1.00 0.00 O ATOM 1188 CB VAL B 13 15.858 -1.604 6.161 1.00 0.00 C ATOM 1189 CG1 VAL B 13 16.859 -1.817 7.298 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.473 -2.085 4.845 1.00 0.00 C ATOM 0 H VAL B 13 13.968 -1.278 4.733 1.00 0.00 H new ATOM 0 HA VAL B 13 14.770 -3.472 6.442 1.00 0.00 H new ATOM 0 HB VAL B 13 15.616 -0.544 6.086 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.767 -1.250 7.094 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.422 -1.476 8.236 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.102 -2.877 7.375 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.382 -1.520 4.640 1.00 0.00 H new ATOM 0 HG22 VAL B 13 16.714 -3.145 4.922 1.00 0.00 H new ATOM 0 HG23 VAL B 13 15.761 -1.933 4.034 1.00 0.00 H new ATOM 1200 N ALA B 14 13.420 -0.890 7.947 1.00 0.00 N ATOM 1201 CA ALA B 14 12.849 -0.487 9.263 1.00 0.00 C ATOM 1202 C ALA B 14 11.784 -1.496 9.703 1.00 0.00 C ATOM 1203 O ALA B 14 11.670 -1.825 10.867 1.00 0.00 O ATOM 1204 CB ALA B 14 12.221 0.885 9.017 1.00 0.00 C ATOM 0 H ALA B 14 13.299 -0.212 7.194 1.00 0.00 H new ATOM 0 HA ALA B 14 13.602 -0.454 10.051 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.777 1.253 9.942 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.989 1.582 8.681 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.449 0.800 8.252 1.00 0.00 H new ATOM 1210 N THR B 15 11.007 -1.989 8.779 1.00 0.00 N ATOM 1211 CA THR B 15 9.952 -2.978 9.141 1.00 0.00 C ATOM 1212 C THR B 15 10.594 -4.247 9.707 1.00 0.00 C ATOM 1213 O THR B 15 10.222 -4.726 10.760 1.00 0.00 O ATOM 1214 CB THR B 15 9.229 -3.281 7.827 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.759 -2.068 7.257 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.044 -4.211 8.096 1.00 0.00 C ATOM 0 H THR B 15 11.057 -1.750 7.789 1.00 0.00 H new ATOM 0 HA THR B 15 9.271 -2.599 9.903 1.00 0.00 H new ATOM 0 HB THR B 15 9.919 -3.766 7.136 1.00 0.00 H new ATOM 0 HG1 THR B 15 8.297 -2.260 6.414 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.530 -4.426 7.159 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.404 -5.142 8.534 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.352 -3.729 8.787 1.00 0.00 H new ATOM 1224 N VAL B 16 11.558 -4.792 9.017 1.00 0.00 N ATOM 1225 CA VAL B 16 12.226 -6.027 9.516 1.00 0.00 C ATOM 1226 C VAL B 16 12.915 -5.747 10.855 1.00 0.00 C ATOM 1227 O VAL B 16 12.830 -6.525 11.784 1.00 0.00 O ATOM 1228 CB VAL B 16 13.258 -6.379 8.445 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.085 -7.579 8.908 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.538 -6.730 7.142 1.00 0.00 C ATOM 0 H VAL B 16 11.912 -4.435 8.129 1.00 0.00 H new ATOM 0 HA VAL B 16 11.521 -6.841 9.684 1.00 0.00 H new ATOM 0 HB VAL B 16 13.916 -5.526 8.280 1.00 0.00 H new ATOM 0 HG11 VAL B 16 14.821 -7.830 8.144 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.597 -7.331 9.838 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.427 -8.432 9.073 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.272 -6.981 6.377 1.00 0.00 H new ATOM 0 HG22 VAL B 16 11.880 -7.583 7.308 1.00 0.00 H new ATOM 0 HG23 VAL B 16 11.947 -5.876 6.811 1.00 0.00 H new ATOM 1240 N VAL B 17 13.596 -4.639 10.960 1.00 0.00 N ATOM 1241 CA VAL B 17 14.289 -4.308 12.237 1.00 0.00 C ATOM 1242 C VAL B 17 13.272 -4.219 13.378 1.00 0.00 C ATOM 1243 O VAL B 17 13.482 -4.745 14.453 1.00 0.00 O ATOM 1244 CB VAL B 17 14.943 -2.950 11.991 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.625 -2.472 13.274 1.00 0.00 C ATOM 1246 CG2 VAL B 17 15.987 -3.084 10.879 1.00 0.00 C ATOM 0 H VAL B 17 13.702 -3.949 10.217 1.00 0.00 H new ATOM 0 HA VAL B 17 15.020 -5.064 12.522 1.00 0.00 H new ATOM 0 HB VAL B 17 14.183 -2.228 11.694 1.00 0.00 H new ATOM 0 HG11 VAL B 17 16.092 -1.503 13.099 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.883 -2.379 14.067 1.00 0.00 H new ATOM 0 HG13 VAL B 17 16.386 -3.193 13.572 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.456 -2.116 10.701 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.747 -3.805 11.179 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.503 -3.426 9.964 1.00 0.00 H new ATOM 1256 N ALA B 18 12.169 -3.558 13.153 1.00 0.00 N ATOM 1257 CA ALA B 18 11.139 -3.439 14.225 1.00 0.00 C ATOM 1258 C ALA B 18 10.567 -4.820 14.561 1.00 0.00 C ATOM 1259 O ALA B 18 10.296 -5.128 15.704 1.00 0.00 O ATOM 1260 CB ALA B 18 10.055 -2.537 13.636 1.00 0.00 C ATOM 0 H ALA B 18 11.936 -3.096 12.274 1.00 0.00 H new ATOM 0 HA ALA B 18 11.548 -3.031 15.149 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.258 -2.401 14.367 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.486 -1.568 13.383 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.647 -2.998 12.737 1.00 0.00 H new ATOM 1266 N ALA B 19 10.382 -5.653 13.573 1.00 0.00 N ATOM 1267 CA ALA B 19 9.829 -7.012 13.835 1.00 0.00 C ATOM 1268 C ALA B 19 10.806 -7.824 14.690 1.00 0.00 C ATOM 1269 O ALA B 19 10.418 -8.492 15.628 1.00 0.00 O ATOM 1270 CB ALA B 19 9.667 -7.648 12.455 1.00 0.00 C ATOM 0 H ALA B 19 10.590 -5.451 12.595 1.00 0.00 H new ATOM 0 HA ALA B 19 8.885 -6.976 14.379 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.263 -8.655 12.563 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.985 -7.046 11.855 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.637 -7.698 11.961 1.00 0.00 H new ATOM 1276 N VAL B 20 12.070 -7.773 14.373 1.00 0.00 N ATOM 1277 CA VAL B 20 13.071 -8.542 15.167 1.00 0.00 C ATOM 1278 C VAL B 20 13.161 -7.984 16.590 1.00 0.00 C ATOM 1279 O VAL B 20 13.276 -8.721 17.550 1.00 0.00 O ATOM 1280 CB VAL B 20 14.394 -8.348 14.427 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.540 -8.902 15.274 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.345 -9.093 13.091 1.00 0.00 C ATOM 0 H VAL B 20 12.454 -7.232 13.598 1.00 0.00 H new ATOM 0 HA VAL B 20 12.806 -9.595 15.258 1.00 0.00 H new ATOM 0 HB VAL B 20 14.555 -7.285 14.247 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.483 -8.763 14.745 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.577 -8.374 16.227 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.378 -9.965 15.455 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.288 -8.955 12.563 1.00 0.00 H new ATOM 0 HG22 VAL B 20 14.183 -10.155 13.273 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.529 -8.700 12.485 1.00 0.00 H new ATOM 1292 N ASP B 21 13.111 -6.688 16.735 1.00 0.00 N ATOM 1293 CA ASP B 21 13.195 -6.086 18.097 1.00 0.00 C ATOM 1294 C ASP B 21 11.969 -6.480 18.927 1.00 0.00 C ATOM 1295 O ASP B 21 12.042 -6.616 20.133 1.00 0.00 O ATOM 1296 CB ASP B 21 13.218 -4.575 17.862 1.00 0.00 C ATOM 1297 CG ASP B 21 12.999 -3.846 19.188 1.00 0.00 C ATOM 1298 OD1 ASP B 21 13.587 -4.259 20.174 1.00 0.00 O ATOM 1299 OD2 ASP B 21 12.247 -2.885 19.197 1.00 0.00 O ATOM 0 H ASP B 21 13.016 -6.020 15.970 1.00 0.00 H new ATOM 0 HA ASP B 21 14.073 -6.427 18.645 1.00 0.00 H new ATOM 0 HB2 ASP B 21 14.172 -4.279 17.426 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.442 -4.296 17.149 1.00 0.00 H new ATOM 1304 N GLN B 22 10.845 -6.662 18.292 1.00 0.00 N ATOM 1305 CA GLN B 22 9.615 -7.044 19.047 1.00 0.00 C ATOM 1306 C GLN B 22 9.808 -8.403 19.725 1.00 0.00 C ATOM 1307 O GLN B 22 9.361 -8.623 20.833 1.00 0.00 O ATOM 1308 CB GLN B 22 8.512 -7.122 17.991 1.00 0.00 C ATOM 1309 CG GLN B 22 7.322 -6.270 18.433 1.00 0.00 C ATOM 1310 CD GLN B 22 6.339 -6.121 17.271 1.00 0.00 C ATOM 1311 OE1 GLN B 22 6.430 -6.831 16.288 1.00 0.00 O ATOM 1312 NE2 GLN B 22 5.395 -5.222 17.341 1.00 0.00 N ATOM 0 H GLN B 22 10.723 -6.563 17.284 1.00 0.00 H new ATOM 0 HA GLN B 22 9.376 -6.330 19.835 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.888 -6.770 17.030 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.200 -8.157 17.851 1.00 0.00 H new ATOM 0 HG2 GLN B 22 6.826 -6.734 19.285 1.00 0.00 H new ATOM 0 HG3 GLN B 22 7.666 -5.289 18.760 1.00 0.00 H new ATOM 0 HE21 GLN B 22 5.318 -4.626 18.165 1.00 0.00 H new ATOM 0 HE22 GLN B 22 4.734 -5.115 16.571 1.00 0.00 H new ATOM 1321 N ALA B 23 10.469 -9.317 19.069 1.00 0.00 N ATOM 1322 CA ALA B 23 10.686 -10.661 19.678 1.00 0.00 C ATOM 1323 C ALA B 23 11.544 -10.542 20.941 1.00 0.00 C ATOM 1324 O ALA B 23 11.310 -11.213 21.927 1.00 0.00 O ATOM 1325 CB ALA B 23 11.419 -11.467 18.605 1.00 0.00 C ATOM 0 H ALA B 23 10.868 -9.192 18.139 1.00 0.00 H new ATOM 0 HA ALA B 23 9.750 -11.134 19.977 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.617 -12.472 18.977 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.801 -11.526 17.709 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.363 -10.978 18.363 1.00 0.00 H new ATOM 1331 N ARG B 24 12.535 -9.691 20.920 1.00 0.00 N ATOM 1332 CA ARG B 24 13.404 -9.531 22.122 1.00 0.00 C ATOM 1333 C ARG B 24 12.583 -8.982 23.291 1.00 0.00 C ATOM 1334 O ARG B 24 12.683 -9.446 24.410 1.00 0.00 O ATOM 1335 CB ARG B 24 14.475 -8.524 21.700 1.00 0.00 C ATOM 1336 CG ARG B 24 15.834 -9.222 21.631 1.00 0.00 C ATOM 1337 CD ARG B 24 16.706 -8.754 22.797 1.00 0.00 C ATOM 1338 NE ARG B 24 18.032 -8.446 22.191 1.00 0.00 N ATOM 1339 CZ ARG B 24 18.939 -7.813 22.885 1.00 0.00 C ATOM 1340 NH1 ARG B 24 18.685 -7.436 24.110 1.00 0.00 N ATOM 1341 NH2 ARG B 24 20.103 -7.553 22.354 1.00 0.00 N ATOM 0 H ARG B 24 12.780 -9.101 20.125 1.00 0.00 H new ATOM 0 HA ARG B 24 13.838 -10.475 22.452 1.00 0.00 H new ATOM 0 HB2 ARG B 24 14.224 -8.096 20.729 1.00 0.00 H new ATOM 0 HB3 ARG B 24 14.514 -7.699 22.411 1.00 0.00 H new ATOM 0 HG2 ARG B 24 15.702 -10.303 21.672 1.00 0.00 H new ATOM 0 HG3 ARG B 24 16.323 -8.996 20.683 1.00 0.00 H new ATOM 0 HD2 ARG B 24 16.280 -7.875 23.280 1.00 0.00 H new ATOM 0 HD3 ARG B 24 16.792 -9.527 23.560 1.00 0.00 H new ATOM 0 HE ARG B 24 18.232 -8.730 21.232 1.00 0.00 H new ATOM 0 HH11 ARG B 24 17.776 -7.636 24.527 1.00 0.00 H new ATOM 0 HH12 ARG B 24 19.396 -6.942 24.649 1.00 0.00 H new ATOM 0 HH21 ARG B 24 20.304 -7.844 21.397 1.00 0.00 H new ATOM 0 HH22 ARG B 24 20.812 -7.059 22.896 1.00 0.00 H new ATOM 1355 N VAL B 25 11.765 -7.999 23.034 1.00 0.00 N ATOM 1356 CA VAL B 25 10.927 -7.412 24.117 1.00 0.00 C ATOM 1357 C VAL B 25 10.148 -8.509 24.845 1.00 0.00 C ATOM 1358 O VAL B 25 9.677 -8.323 25.951 1.00 0.00 O ATOM 1359 CB VAL B 25 9.972 -6.456 23.405 1.00 0.00 C ATOM 1360 CG1 VAL B 25 8.990 -5.868 24.418 1.00 0.00 C ATOM 1361 CG2 VAL B 25 10.775 -5.325 22.758 1.00 0.00 C ATOM 0 H VAL B 25 11.640 -7.575 22.115 1.00 0.00 H new ATOM 0 HA VAL B 25 11.528 -6.902 24.870 1.00 0.00 H new ATOM 0 HB VAL B 25 9.420 -6.997 22.637 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.308 -5.186 23.910 1.00 0.00 H new ATOM 0 HG12 VAL B 25 8.419 -6.673 24.881 1.00 0.00 H new ATOM 0 HG13 VAL B 25 9.541 -5.325 25.186 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.096 -4.641 22.249 1.00 0.00 H new ATOM 0 HG22 VAL B 25 11.326 -4.784 23.527 1.00 0.00 H new ATOM 0 HG23 VAL B 25 11.476 -5.744 22.036 1.00 0.00 H new ATOM 1371 N ARG B 26 9.999 -9.650 24.231 1.00 0.00 N ATOM 1372 CA ARG B 26 9.239 -10.762 24.876 1.00 0.00 C ATOM 1373 C ARG B 26 10.022 -11.382 26.043 1.00 0.00 C ATOM 1374 O ARG B 26 9.632 -12.393 26.592 1.00 0.00 O ATOM 1375 CB ARG B 26 9.029 -11.791 23.762 1.00 0.00 C ATOM 1376 CG ARG B 26 7.767 -12.606 24.045 1.00 0.00 C ATOM 1377 CD ARG B 26 7.040 -12.897 22.729 1.00 0.00 C ATOM 1378 NE ARG B 26 5.789 -13.602 23.128 1.00 0.00 N ATOM 1379 CZ ARG B 26 5.115 -14.292 22.248 1.00 0.00 C ATOM 1380 NH1 ARG B 26 5.533 -14.371 21.013 1.00 0.00 N ATOM 1381 NH2 ARG B 26 4.020 -14.906 22.605 1.00 0.00 N ATOM 0 H ARG B 26 10.372 -9.863 23.306 1.00 0.00 H new ATOM 0 HA ARG B 26 8.300 -10.409 25.302 1.00 0.00 H new ATOM 0 HB2 ARG B 26 8.940 -11.287 22.800 1.00 0.00 H new ATOM 0 HB3 ARG B 26 9.893 -12.452 23.696 1.00 0.00 H new ATOM 0 HG2 ARG B 26 8.029 -13.540 24.542 1.00 0.00 H new ATOM 0 HG3 ARG B 26 7.111 -12.058 24.721 1.00 0.00 H new ATOM 0 HD2 ARG B 26 6.819 -11.977 22.188 1.00 0.00 H new ATOM 0 HD3 ARG B 26 7.649 -13.516 22.070 1.00 0.00 H new ATOM 0 HE ARG B 26 5.458 -13.545 24.091 1.00 0.00 H new ATOM 0 HH11 ARG B 26 6.389 -13.893 20.733 1.00 0.00 H new ATOM 0 HH12 ARG B 26 5.003 -14.911 20.329 1.00 0.00 H new ATOM 0 HH21 ARG B 26 3.693 -14.846 23.569 1.00 0.00 H new ATOM 0 HH22 ARG B 26 3.491 -15.446 21.920 1.00 0.00 H new ATOM 1395 N GLU B 27 11.113 -10.785 26.432 1.00 0.00 N ATOM 1396 CA GLU B 27 11.904 -11.340 27.569 1.00 0.00 C ATOM 1397 C GLU B 27 11.334 -10.835 28.899 1.00 0.00 C ATOM 1398 O GLU B 27 10.866 -9.718 28.989 1.00 0.00 O ATOM 1399 CB GLU B 27 13.323 -10.809 27.361 1.00 0.00 C ATOM 1400 CG GLU B 27 14.138 -11.829 26.562 1.00 0.00 C ATOM 1401 CD GLU B 27 14.825 -11.125 25.390 1.00 0.00 C ATOM 1402 OE1 GLU B 27 15.456 -10.107 25.624 1.00 0.00 O ATOM 1403 OE2 GLU B 27 14.710 -11.615 24.280 1.00 0.00 O ATOM 0 H GLU B 27 11.493 -9.936 26.013 1.00 0.00 H new ATOM 0 HA GLU B 27 11.877 -12.429 27.600 1.00 0.00 H new ATOM 0 HB2 GLU B 27 13.292 -9.857 26.831 1.00 0.00 H new ATOM 0 HB3 GLU B 27 13.798 -10.623 28.324 1.00 0.00 H new ATOM 0 HG2 GLU B 27 14.882 -12.300 27.204 1.00 0.00 H new ATOM 0 HG3 GLU B 27 13.488 -12.622 26.193 1.00 0.00 H new ATOM 1410 N PRO B 28 11.392 -11.682 29.892 1.00 0.00 N ATOM 1411 CA PRO B 28 10.856 -11.277 31.220 1.00 0.00 C ATOM 1412 C PRO B 28 11.347 -9.873 31.589 1.00 0.00 C ATOM 1413 O PRO B 28 10.610 -8.909 31.514 1.00 0.00 O ATOM 1414 CB PRO B 28 11.410 -12.316 32.196 1.00 0.00 C ATOM 1415 CG PRO B 28 12.514 -13.008 31.466 1.00 0.00 C ATOM 1416 CD PRO B 28 12.220 -12.889 29.997 1.00 0.00 C ATOM 0 HA PRO B 28 9.767 -11.240 31.234 1.00 0.00 H new ATOM 0 HB2 PRO B 28 11.779 -11.841 33.105 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.636 -13.022 32.497 1.00 0.00 H new ATOM 0 HG2 PRO B 28 13.476 -12.554 31.704 1.00 0.00 H new ATOM 0 HG3 PRO B 28 12.574 -14.055 31.763 1.00 0.00 H new ATOM 0 HD2 PRO B 28 13.136 -12.795 29.414 1.00 0.00 H new ATOM 0 HD3 PRO B 28 11.693 -13.767 29.624 1.00 0.00 H new ATOM 1424 N ARG B 29 12.583 -9.749 31.988 1.00 0.00 N ATOM 1425 CA ARG B 29 13.114 -8.406 32.362 1.00 0.00 C ATOM 1426 C ARG B 29 14.617 -8.336 32.083 1.00 0.00 C ATOM 1427 O ARG B 29 15.406 -9.027 32.698 1.00 0.00 O ATOM 1428 CB ARG B 29 12.840 -8.272 33.861 1.00 0.00 C ATOM 1429 CG ARG B 29 11.527 -7.517 34.074 1.00 0.00 C ATOM 1430 CD ARG B 29 11.722 -6.040 33.721 1.00 0.00 C ATOM 1431 NE ARG B 29 10.615 -5.328 34.420 1.00 0.00 N ATOM 1432 CZ ARG B 29 10.696 -4.042 34.636 1.00 0.00 C ATOM 1433 NH1 ARG B 29 11.750 -3.375 34.247 1.00 0.00 N ATOM 1434 NH2 ARG B 29 9.721 -3.422 35.243 1.00 0.00 N ATOM 0 H ARG B 29 13.248 -10.518 32.071 1.00 0.00 H new ATOM 0 HA ARG B 29 12.647 -7.604 31.790 1.00 0.00 H new ATOM 0 HB2 ARG B 29 12.783 -9.259 34.321 1.00 0.00 H new ATOM 0 HB3 ARG B 29 13.660 -7.741 34.345 1.00 0.00 H new ATOM 0 HG2 ARG B 29 10.742 -7.949 33.453 1.00 0.00 H new ATOM 0 HG3 ARG B 29 11.204 -7.614 35.110 1.00 0.00 H new ATOM 0 HD2 ARG B 29 12.695 -5.680 34.054 1.00 0.00 H new ATOM 0 HD3 ARG B 29 11.675 -5.882 32.644 1.00 0.00 H new ATOM 0 HE ARG B 29 9.793 -5.846 34.730 1.00 0.00 H new ATOM 0 HH11 ARG B 29 12.513 -3.858 33.773 1.00 0.00 H new ATOM 0 HH12 ARG B 29 11.810 -2.371 34.417 1.00 0.00 H new ATOM 0 HH21 ARG B 29 8.898 -3.941 35.548 1.00 0.00 H new ATOM 0 HH22 ARG B 29 9.782 -2.418 35.413 1.00 0.00 H new TER 1448 ARG B 29