USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 397 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 134 CYS SG : rot -153:sc= 0.635 USER MOD Set 1.2: A 137 CYS SG : rot 50:sc= 2.87 USER MOD Set 1.3: A 150 HIS : no HD1:sc= -2.15 K(o=-2.3,f=-12!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -3.67! C(o=-2.3!,f=-7.6!) USER MOD Set 2.1: A 106 CYS SG : rot 12:sc= 0.42 USER MOD Set 2.2: A 109 CYS SG : rot 180:sc= -1.92 USER MOD Set 2.3: A 122 HIS : no HD1:sc= 0.263! C(o=-5.5!,f=-15!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -4.29! C(o=-5.5!,f=-15!) USER MOD Single : A 110 THR OG1 : rot 3:sc= 0.347 USER MOD Single : A 116 GLN : amide:sc= -3.67! C(o=-3.7!,f=-5.9!) USER MOD Single : A 118 HIS : no HD1:sc= -0.216 K(o=-0.22,f=-0.95) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 0:sc= -1.46 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.27) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.11) USER MOD Single : A 153 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0805) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -25.445 24.292 16.878 1.00 0.00 N ATOM 37 CA PHE A 104 -25.009 22.878 17.027 1.00 0.00 C ATOM 38 C PHE A 104 -26.121 22.107 17.733 1.00 0.00 C ATOM 39 O PHE A 104 -26.836 22.650 18.551 1.00 0.00 O ATOM 40 CB PHE A 104 -23.726 22.821 17.858 1.00 0.00 C ATOM 41 CG PHE A 104 -22.648 23.624 17.171 1.00 0.00 C ATOM 42 CD1 PHE A 104 -21.834 23.018 16.207 1.00 0.00 C ATOM 43 CD2 PHE A 104 -22.464 24.973 17.495 1.00 0.00 C ATOM 44 CE1 PHE A 104 -20.834 23.762 15.568 1.00 0.00 C ATOM 45 CE2 PHE A 104 -21.465 25.716 16.856 1.00 0.00 C ATOM 46 CZ PHE A 104 -20.650 25.111 15.892 1.00 0.00 C ATOM 0 HA PHE A 104 -24.812 22.437 16.050 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -23.909 23.217 18.857 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -23.403 21.787 17.979 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -21.977 21.977 15.956 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -23.093 25.441 18.238 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -20.205 23.295 14.825 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -21.323 26.757 17.107 1.00 0.00 H new ATOM 0 HZ PHE A 104 -19.880 25.685 15.399 1.00 0.00 H new ATOM 56 N VAL A 105 -26.289 20.855 17.405 1.00 0.00 N ATOM 57 CA VAL A 105 -27.376 20.054 18.042 1.00 0.00 C ATOM 58 C VAL A 105 -27.063 18.559 17.873 1.00 0.00 C ATOM 59 O VAL A 105 -26.752 18.093 16.794 1.00 0.00 O ATOM 60 CB VAL A 105 -28.744 20.445 17.406 1.00 0.00 C ATOM 61 CG1 VAL A 105 -28.583 20.723 15.904 1.00 0.00 C ATOM 62 CG2 VAL A 105 -29.797 19.340 17.603 1.00 0.00 C ATOM 0 H VAL A 105 -25.721 20.351 16.724 1.00 0.00 H new ATOM 0 HA VAL A 105 -27.437 20.264 19.110 1.00 0.00 H new ATOM 0 HB VAL A 105 -29.086 21.348 17.912 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.549 20.994 15.479 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -27.880 21.543 15.759 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -28.206 19.829 15.407 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -30.738 19.648 17.147 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -29.450 18.419 17.134 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -29.950 19.169 18.669 1.00 0.00 H new ATOM 72 N CYS A 106 -27.149 17.817 18.946 1.00 0.00 N ATOM 73 CA CYS A 106 -26.864 16.355 18.887 1.00 0.00 C ATOM 74 C CYS A 106 -27.872 15.673 17.960 1.00 0.00 C ATOM 75 O CYS A 106 -29.044 15.999 17.958 1.00 0.00 O ATOM 76 CB CYS A 106 -26.988 15.765 20.295 1.00 0.00 C ATOM 77 SG CYS A 106 -25.883 14.342 20.458 1.00 0.00 S ATOM 0 H CYS A 106 -27.407 18.166 19.869 1.00 0.00 H new ATOM 0 HA CYS A 106 -25.856 16.193 18.505 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -26.737 16.520 21.040 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -28.018 15.462 20.483 1.00 0.00 H new ATOM 0 HG CYS A 106 -25.068 14.307 19.446 1.00 0.00 H new ATOM 82 N GLU A 107 -27.423 14.723 17.177 1.00 0.00 N ATOM 83 CA GLU A 107 -28.350 14.008 16.249 1.00 0.00 C ATOM 84 C GLU A 107 -28.932 12.763 16.934 1.00 0.00 C ATOM 85 O GLU A 107 -29.392 11.850 16.273 1.00 0.00 O ATOM 86 CB GLU A 107 -27.585 13.583 14.994 1.00 0.00 C ATOM 87 CG GLU A 107 -27.168 14.825 14.204 1.00 0.00 C ATOM 88 CD GLU A 107 -26.740 14.414 12.794 1.00 0.00 C ATOM 89 OE1 GLU A 107 -25.970 13.474 12.681 1.00 0.00 O ATOM 90 OE2 GLU A 107 -27.191 15.044 11.852 1.00 0.00 O ATOM 0 H GLU A 107 -26.452 14.412 17.141 1.00 0.00 H new ATOM 0 HA GLU A 107 -29.165 14.679 15.977 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -26.705 13.003 15.271 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -28.210 12.939 14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -27.997 15.531 14.152 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -26.347 15.333 14.711 1.00 0.00 H new ATOM 97 N VAL A 108 -28.917 12.713 18.246 1.00 0.00 N ATOM 98 CA VAL A 108 -29.470 11.523 18.959 1.00 0.00 C ATOM 99 C VAL A 108 -30.581 11.971 19.909 1.00 0.00 C ATOM 100 O VAL A 108 -31.624 11.351 19.991 1.00 0.00 O ATOM 101 CB VAL A 108 -28.356 10.839 19.755 1.00 0.00 C ATOM 102 CG1 VAL A 108 -28.875 9.523 20.337 1.00 0.00 C ATOM 103 CG2 VAL A 108 -27.169 10.550 18.832 1.00 0.00 C ATOM 0 H VAL A 108 -28.545 13.446 18.851 1.00 0.00 H new ATOM 0 HA VAL A 108 -29.876 10.819 18.232 1.00 0.00 H new ATOM 0 HB VAL A 108 -28.038 11.496 20.565 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -28.080 9.037 20.903 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -29.719 9.725 20.996 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -29.195 8.868 19.527 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -26.376 10.063 19.400 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -27.489 9.895 18.021 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -26.795 11.486 18.416 1.00 0.00 H new ATOM 113 N CYS A 109 -30.364 13.046 20.622 1.00 0.00 N ATOM 114 CA CYS A 109 -31.408 13.546 21.565 1.00 0.00 C ATOM 115 C CYS A 109 -31.938 14.911 21.100 1.00 0.00 C ATOM 116 O CYS A 109 -32.679 15.561 21.812 1.00 0.00 O ATOM 117 CB CYS A 109 -30.814 13.677 22.971 1.00 0.00 C ATOM 118 SG CYS A 109 -29.329 14.712 22.919 1.00 0.00 S ATOM 0 H CYS A 109 -29.508 13.600 20.592 1.00 0.00 H new ATOM 0 HA CYS A 109 -32.234 12.835 21.583 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -31.549 14.114 23.646 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -30.567 12.691 23.364 1.00 0.00 H new ATOM 0 HG CYS A 109 -28.833 14.819 24.116 1.00 0.00 H new ATOM 123 N THR A 110 -31.575 15.348 19.911 1.00 0.00 N ATOM 124 CA THR A 110 -32.067 16.669 19.388 1.00 0.00 C ATOM 125 C THR A 110 -31.867 17.779 20.435 1.00 0.00 C ATOM 126 O THR A 110 -32.778 18.526 20.743 1.00 0.00 O ATOM 127 CB THR A 110 -33.555 16.561 19.025 1.00 0.00 C ATOM 128 OG1 THR A 110 -34.330 16.458 20.211 1.00 0.00 O ATOM 129 CG2 THR A 110 -33.789 15.326 18.152 1.00 0.00 C ATOM 0 H THR A 110 -30.955 14.843 19.278 1.00 0.00 H new ATOM 0 HA THR A 110 -31.492 16.925 18.498 1.00 0.00 H new ATOM 0 HB THR A 110 -33.853 17.452 18.473 1.00 0.00 H new ATOM 0 HG1 THR A 110 -33.743 16.531 20.993 1.00 0.00 H new ATOM 0 HG21 THR A 110 -34.847 15.255 17.898 1.00 0.00 H new ATOM 0 HG22 THR A 110 -33.201 15.410 17.238 1.00 0.00 H new ATOM 0 HG23 THR A 110 -33.486 14.432 18.697 1.00 0.00 H new ATOM 137 N ARG A 111 -30.682 17.889 20.979 1.00 0.00 N ATOM 138 CA ARG A 111 -30.416 18.946 22.002 1.00 0.00 C ATOM 139 C ARG A 111 -29.945 20.225 21.302 1.00 0.00 C ATOM 140 O ARG A 111 -30.121 20.388 20.111 1.00 0.00 O ATOM 141 CB ARG A 111 -29.332 18.454 22.968 1.00 0.00 C ATOM 142 CG ARG A 111 -29.692 18.861 24.399 1.00 0.00 C ATOM 143 CD ARG A 111 -29.156 17.814 25.380 1.00 0.00 C ATOM 144 NE ARG A 111 -30.131 17.631 26.492 1.00 0.00 N ATOM 145 CZ ARG A 111 -29.882 18.138 27.668 1.00 0.00 C ATOM 146 NH1 ARG A 111 -29.905 19.432 27.839 1.00 0.00 N ATOM 147 NH2 ARG A 111 -29.607 17.352 28.672 1.00 0.00 N ATOM 0 H ARG A 111 -29.885 17.291 20.759 1.00 0.00 H new ATOM 0 HA ARG A 111 -31.329 19.157 22.560 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -29.237 17.370 22.901 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -28.366 18.877 22.692 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -29.268 19.839 24.627 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -30.773 18.950 24.501 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -28.993 16.867 24.865 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -28.191 18.131 25.776 1.00 0.00 H new ATOM 0 HE ARG A 111 -30.993 17.109 26.334 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -30.118 20.047 27.053 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -29.710 19.828 28.758 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -29.587 16.341 28.538 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -29.412 17.748 29.591 1.00 0.00 H new ATOM 161 N ALA A 112 -29.346 21.132 22.035 1.00 0.00 N ATOM 162 CA ALA A 112 -28.860 22.400 21.416 1.00 0.00 C ATOM 163 C ALA A 112 -27.636 22.911 22.179 1.00 0.00 C ATOM 164 O ALA A 112 -27.525 22.745 23.378 1.00 0.00 O ATOM 165 CB ALA A 112 -29.968 23.455 21.466 1.00 0.00 C ATOM 0 H ALA A 112 -29.173 21.047 23.037 1.00 0.00 H new ATOM 0 HA ALA A 112 -28.586 22.210 20.378 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -29.610 24.380 21.013 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -30.838 23.095 20.917 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -30.245 23.642 22.503 1.00 0.00 H new ATOM 171 N PHE A 113 -26.721 23.534 21.484 1.00 0.00 N ATOM 172 CA PHE A 113 -25.495 24.069 22.144 1.00 0.00 C ATOM 173 C PHE A 113 -25.013 25.301 21.379 1.00 0.00 C ATOM 174 O PHE A 113 -25.520 25.619 20.319 1.00 0.00 O ATOM 175 CB PHE A 113 -24.399 23.003 22.130 1.00 0.00 C ATOM 176 CG PHE A 113 -24.756 21.899 23.094 1.00 0.00 C ATOM 177 CD1 PHE A 113 -25.538 20.820 22.664 1.00 0.00 C ATOM 178 CD2 PHE A 113 -24.305 21.953 24.418 1.00 0.00 C ATOM 179 CE1 PHE A 113 -25.867 19.795 23.558 1.00 0.00 C ATOM 180 CE2 PHE A 113 -24.635 20.927 25.312 1.00 0.00 C ATOM 181 CZ PHE A 113 -25.415 19.848 24.882 1.00 0.00 C ATOM 0 H PHE A 113 -26.772 23.696 20.478 1.00 0.00 H new ATOM 0 HA PHE A 113 -25.723 24.339 23.175 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -24.284 22.599 21.124 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -23.443 23.446 22.407 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -25.887 20.779 21.643 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -23.703 22.786 24.750 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -26.470 18.963 23.226 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -24.287 20.969 26.334 1.00 0.00 H new ATOM 0 HZ PHE A 113 -25.668 19.056 25.571 1.00 0.00 H new ATOM 191 N ALA A 114 -24.039 25.998 21.907 1.00 0.00 N ATOM 192 CA ALA A 114 -23.522 27.213 21.214 1.00 0.00 C ATOM 193 C ALA A 114 -22.070 26.988 20.778 1.00 0.00 C ATOM 194 O ALA A 114 -21.608 27.575 19.818 1.00 0.00 O ATOM 195 CB ALA A 114 -23.588 28.408 22.165 1.00 0.00 C ATOM 0 H ALA A 114 -23.580 25.776 22.790 1.00 0.00 H new ATOM 0 HA ALA A 114 -24.134 27.410 20.334 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -23.210 29.297 21.659 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -24.622 28.575 22.468 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -22.979 28.206 23.046 1.00 0.00 H new ATOM 201 N ARG A 115 -21.347 26.148 21.478 1.00 0.00 N ATOM 202 CA ARG A 115 -19.924 25.889 21.107 1.00 0.00 C ATOM 203 C ARG A 115 -19.784 24.473 20.544 1.00 0.00 C ATOM 204 O ARG A 115 -20.409 23.542 21.018 1.00 0.00 O ATOM 205 CB ARG A 115 -19.041 26.033 22.348 1.00 0.00 C ATOM 206 CG ARG A 115 -19.163 27.456 22.899 1.00 0.00 C ATOM 207 CD ARG A 115 -18.524 28.441 21.917 1.00 0.00 C ATOM 208 NE ARG A 115 -17.910 29.568 22.673 1.00 0.00 N ATOM 209 CZ ARG A 115 -18.637 30.593 23.022 1.00 0.00 C ATOM 210 NH1 ARG A 115 -19.538 30.467 23.959 1.00 0.00 N ATOM 211 NH2 ARG A 115 -18.465 31.746 22.435 1.00 0.00 N ATOM 0 H ARG A 115 -21.683 25.631 22.291 1.00 0.00 H new ATOM 0 HA ARG A 115 -19.613 26.609 20.350 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -19.342 25.311 23.107 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -18.003 25.817 22.096 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -20.212 27.709 23.053 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -18.673 27.525 23.870 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -17.766 27.935 21.319 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -19.276 28.820 21.225 1.00 0.00 H new ATOM 0 HE ARG A 115 -16.920 29.538 22.918 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -19.673 29.566 24.418 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -20.106 31.269 24.231 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -17.762 31.846 21.703 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -19.034 32.547 22.708 1.00 0.00 H new ATOM 225 N GLN A 116 -18.966 24.309 19.536 1.00 0.00 N ATOM 226 CA GLN A 116 -18.770 22.958 18.930 1.00 0.00 C ATOM 227 C GLN A 116 -17.874 22.120 19.841 1.00 0.00 C ATOM 228 O GLN A 116 -18.017 20.914 19.920 1.00 0.00 O ATOM 229 CB GLN A 116 -18.105 23.111 17.555 1.00 0.00 C ATOM 230 CG GLN A 116 -17.903 21.732 16.913 1.00 0.00 C ATOM 231 CD GLN A 116 -16.552 21.145 17.342 1.00 0.00 C ATOM 232 OE1 GLN A 116 -15.762 21.804 17.990 1.00 0.00 O ATOM 233 NE2 GLN A 116 -16.252 19.921 17.003 1.00 0.00 N ATOM 0 H GLN A 116 -18.423 25.057 19.105 1.00 0.00 H new ATOM 0 HA GLN A 116 -19.734 22.463 18.815 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -18.724 23.734 16.910 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -17.145 23.616 17.660 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -18.710 21.062 17.209 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -17.943 21.818 15.827 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -16.913 19.366 16.459 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.357 19.520 17.282 1.00 0.00 H new ATOM 242 N GLU A 117 -16.949 22.745 20.519 1.00 0.00 N ATOM 243 CA GLU A 117 -16.038 21.982 21.418 1.00 0.00 C ATOM 244 C GLU A 117 -16.854 21.375 22.559 1.00 0.00 C ATOM 245 O GLU A 117 -16.569 20.292 23.034 1.00 0.00 O ATOM 246 CB GLU A 117 -14.974 22.922 21.998 1.00 0.00 C ATOM 247 CG GLU A 117 -14.305 23.722 20.869 1.00 0.00 C ATOM 248 CD GLU A 117 -12.856 23.261 20.691 1.00 0.00 C ATOM 249 OE1 GLU A 117 -12.011 23.724 21.439 1.00 0.00 O ATOM 250 OE2 GLU A 117 -12.616 22.451 19.811 1.00 0.00 O ATOM 0 H GLU A 117 -16.785 23.751 20.489 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.547 21.191 20.851 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -15.431 23.603 22.715 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -14.224 22.345 22.539 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -14.856 23.585 19.939 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.331 24.787 21.101 1.00 0.00 H new ATOM 257 N HIS A 118 -17.868 22.073 23.000 1.00 0.00 N ATOM 258 CA HIS A 118 -18.718 21.554 24.111 1.00 0.00 C ATOM 259 C HIS A 118 -19.539 20.361 23.616 1.00 0.00 C ATOM 260 O HIS A 118 -19.600 19.331 24.261 1.00 0.00 O ATOM 261 CB HIS A 118 -19.664 22.660 24.588 1.00 0.00 C ATOM 262 CG HIS A 118 -18.926 23.587 25.513 1.00 0.00 C ATOM 263 ND1 HIS A 118 -17.927 24.437 25.067 1.00 0.00 N ATOM 264 CD2 HIS A 118 -19.032 23.810 26.865 1.00 0.00 C ATOM 265 CE1 HIS A 118 -17.475 25.126 26.132 1.00 0.00 C ATOM 266 NE2 HIS A 118 -18.115 24.782 27.252 1.00 0.00 N ATOM 0 H HIS A 118 -18.145 22.985 22.636 1.00 0.00 H new ATOM 0 HA HIS A 118 -18.080 21.237 24.936 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -20.052 23.215 23.734 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -20.521 22.224 25.101 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -19.722 23.307 27.526 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -16.690 25.867 26.086 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -17.964 25.152 28.190 1.00 0.00 H new ATOM 274 N LEU A 119 -20.173 20.495 22.478 1.00 0.00 N ATOM 275 CA LEU A 119 -20.994 19.379 21.934 1.00 0.00 C ATOM 276 C LEU A 119 -20.105 18.161 21.668 1.00 0.00 C ATOM 277 O LEU A 119 -20.558 17.034 21.708 1.00 0.00 O ATOM 278 CB LEU A 119 -21.649 19.825 20.622 1.00 0.00 C ATOM 279 CG LEU A 119 -23.037 19.190 20.493 1.00 0.00 C ATOM 280 CD1 LEU A 119 -23.695 19.660 19.196 1.00 0.00 C ATOM 281 CD2 LEU A 119 -22.904 17.666 20.464 1.00 0.00 C ATOM 0 H LEU A 119 -20.155 21.336 21.902 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.763 19.111 22.659 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -21.732 20.912 20.597 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -21.026 19.534 19.776 1.00 0.00 H new ATOM 0 HG LEU A 119 -23.649 19.488 21.345 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -24.683 19.208 19.104 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -23.793 20.746 19.210 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -23.080 19.362 18.347 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -23.893 17.216 20.372 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -22.290 17.370 19.613 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -22.434 17.324 21.386 1.00 0.00 H new ATOM 293 N LYS A 120 -18.841 18.378 21.393 1.00 0.00 N ATOM 294 CA LYS A 120 -17.916 17.234 21.119 1.00 0.00 C ATOM 295 C LYS A 120 -17.947 16.241 22.287 1.00 0.00 C ATOM 296 O LYS A 120 -17.923 15.040 22.093 1.00 0.00 O ATOM 297 CB LYS A 120 -16.491 17.761 20.935 1.00 0.00 C ATOM 298 CG LYS A 120 -16.211 17.979 19.445 1.00 0.00 C ATOM 299 CD LYS A 120 -14.750 17.635 19.141 1.00 0.00 C ATOM 300 CE LYS A 120 -14.650 17.000 17.751 1.00 0.00 C ATOM 301 NZ LYS A 120 -13.606 15.936 17.767 1.00 0.00 N ATOM 0 H LYS A 120 -18.409 19.301 21.347 1.00 0.00 H new ATOM 0 HA LYS A 120 -18.239 16.726 20.210 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -16.366 18.697 21.479 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -15.774 17.052 21.350 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -16.874 17.356 18.845 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -16.415 19.015 19.174 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -14.137 18.535 19.186 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -14.363 16.949 19.894 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -15.612 16.577 17.462 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -14.400 17.759 17.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -13.537 15.504 16.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -12.689 16.353 18.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -13.863 15.208 18.464 1.00 0.00 H new ATOM 315 N ARG A 121 -18.010 16.737 23.497 1.00 0.00 N ATOM 316 CA ARG A 121 -18.054 15.832 24.683 1.00 0.00 C ATOM 317 C ARG A 121 -19.493 15.356 24.899 1.00 0.00 C ATOM 318 O ARG A 121 -19.731 14.258 25.366 1.00 0.00 O ATOM 319 CB ARG A 121 -17.571 16.591 25.923 1.00 0.00 C ATOM 320 CG ARG A 121 -16.757 15.651 26.816 1.00 0.00 C ATOM 321 CD ARG A 121 -15.674 16.449 27.543 1.00 0.00 C ATOM 322 NE ARG A 121 -14.573 15.533 27.954 1.00 0.00 N ATOM 323 CZ ARG A 121 -13.902 15.767 29.048 1.00 0.00 C ATOM 324 NH1 ARG A 121 -14.458 15.560 30.211 1.00 0.00 N ATOM 325 NH2 ARG A 121 -12.675 16.208 28.981 1.00 0.00 N ATOM 0 H ARG A 121 -18.033 17.733 23.714 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.407 14.972 24.513 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.962 17.444 25.625 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.424 16.986 26.475 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.410 15.162 27.539 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -16.302 14.864 26.215 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -15.286 17.232 26.892 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -16.097 16.942 28.418 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.344 14.722 27.379 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -15.417 15.215 30.264 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -13.934 15.743 31.067 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -12.240 16.370 28.073 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -12.151 16.391 29.837 1.00 0.00 H new ATOM 339 N HIS A 122 -20.450 16.179 24.557 1.00 0.00 N ATOM 340 CA HIS A 122 -21.882 15.794 24.731 1.00 0.00 C ATOM 341 C HIS A 122 -22.227 14.639 23.769 1.00 0.00 C ATOM 342 O HIS A 122 -23.212 13.949 23.956 1.00 0.00 O ATOM 343 CB HIS A 122 -22.761 17.027 24.437 1.00 0.00 C ATOM 344 CG HIS A 122 -24.223 16.652 24.389 1.00 0.00 C ATOM 345 ND1 HIS A 122 -24.993 16.517 25.535 1.00 0.00 N ATOM 346 CD2 HIS A 122 -25.063 16.378 23.339 1.00 0.00 C ATOM 347 CE1 HIS A 122 -26.237 16.178 25.149 1.00 0.00 C ATOM 348 NE2 HIS A 122 -26.334 16.080 23.820 1.00 0.00 N ATOM 0 H HIS A 122 -20.300 17.107 24.162 1.00 0.00 H new ATOM 0 HA HIS A 122 -22.063 15.456 25.751 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -22.601 17.783 25.206 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -22.465 17.471 23.487 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -24.780 16.392 22.297 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -27.057 16.006 25.831 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -27.162 15.839 23.275 1.00 0.00 H new ATOM 356 N TYR A 123 -21.433 14.429 22.744 1.00 0.00 N ATOM 357 CA TYR A 123 -21.726 13.328 21.779 1.00 0.00 C ATOM 358 C TYR A 123 -20.896 12.093 22.141 1.00 0.00 C ATOM 359 O TYR A 123 -20.441 11.367 21.277 1.00 0.00 O ATOM 360 CB TYR A 123 -21.374 13.788 20.360 1.00 0.00 C ATOM 361 CG TYR A 123 -22.420 13.301 19.384 1.00 0.00 C ATOM 362 CD1 TYR A 123 -22.767 11.944 19.343 1.00 0.00 C ATOM 363 CD2 TYR A 123 -23.043 14.208 18.518 1.00 0.00 C ATOM 364 CE1 TYR A 123 -23.736 11.496 18.438 1.00 0.00 C ATOM 365 CE2 TYR A 123 -24.012 13.759 17.613 1.00 0.00 C ATOM 366 CZ TYR A 123 -24.359 12.403 17.573 1.00 0.00 C ATOM 367 OH TYR A 123 -25.314 11.961 16.680 1.00 0.00 O ATOM 0 H TYR A 123 -20.596 14.974 22.537 1.00 0.00 H new ATOM 0 HA TYR A 123 -22.785 13.075 21.826 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -21.312 14.876 20.326 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -20.394 13.404 20.077 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -22.287 11.244 20.010 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -22.776 15.254 18.548 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -24.003 10.450 18.407 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -24.492 14.459 16.945 1.00 0.00 H new ATOM 0 HH TYR A 123 -25.434 10.994 16.782 1.00 0.00 H new ATOM 377 N ARG A 124 -20.698 11.855 23.411 1.00 0.00 N ATOM 378 CA ARG A 124 -19.900 10.670 23.841 1.00 0.00 C ATOM 379 C ARG A 124 -20.781 9.743 24.679 1.00 0.00 C ATOM 380 O ARG A 124 -20.718 8.534 24.558 1.00 0.00 O ATOM 381 CB ARG A 124 -18.706 11.135 24.677 1.00 0.00 C ATOM 382 CG ARG A 124 -17.598 10.083 24.613 1.00 0.00 C ATOM 383 CD ARG A 124 -16.658 10.260 25.806 1.00 0.00 C ATOM 384 NE ARG A 124 -15.827 11.481 25.606 1.00 0.00 N ATOM 385 CZ ARG A 124 -14.634 11.550 26.129 1.00 0.00 C ATOM 386 NH1 ARG A 124 -14.493 11.811 27.400 1.00 0.00 N ATOM 387 NH2 ARG A 124 -13.581 11.359 25.381 1.00 0.00 N ATOM 0 H ARG A 124 -21.056 12.433 24.171 1.00 0.00 H new ATOM 0 HA ARG A 124 -19.540 10.134 22.963 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -18.337 12.090 24.304 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -19.012 11.294 25.711 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -18.031 9.083 24.622 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -17.042 10.181 23.681 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -17.234 10.346 26.727 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -16.018 9.384 25.911 1.00 0.00 H new ATOM 0 HE ARG A 124 -16.191 12.262 25.060 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -15.316 11.961 27.984 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -13.560 11.865 27.809 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.691 11.156 24.388 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -12.648 11.413 25.790 1.00 0.00 H new ATOM 401 N SER A 125 -21.602 10.305 25.529 1.00 0.00 N ATOM 402 CA SER A 125 -22.495 9.469 26.384 1.00 0.00 C ATOM 403 C SER A 125 -23.613 8.873 25.525 1.00 0.00 C ATOM 404 O SER A 125 -24.115 7.800 25.805 1.00 0.00 O ATOM 405 CB SER A 125 -23.104 10.336 27.485 1.00 0.00 C ATOM 406 OG SER A 125 -24.005 11.270 26.902 1.00 0.00 O ATOM 0 H SER A 125 -21.692 11.312 25.667 1.00 0.00 H new ATOM 0 HA SER A 125 -21.916 8.663 26.835 1.00 0.00 H new ATOM 0 HB2 SER A 125 -23.627 9.711 28.209 1.00 0.00 H new ATOM 0 HB3 SER A 125 -22.318 10.861 28.027 1.00 0.00 H new ATOM 0 HG SER A 125 -24.399 11.827 27.605 1.00 0.00 H new ATOM 412 N HIS A 126 -24.005 9.562 24.482 1.00 0.00 N ATOM 413 CA HIS A 126 -25.089 9.042 23.599 1.00 0.00 C ATOM 414 C HIS A 126 -24.626 7.746 22.934 1.00 0.00 C ATOM 415 O HIS A 126 -25.112 6.672 23.236 1.00 0.00 O ATOM 416 CB HIS A 126 -25.405 10.072 22.514 1.00 0.00 C ATOM 417 CG HIS A 126 -26.002 11.303 23.136 1.00 0.00 C ATOM 418 ND1 HIS A 126 -27.166 11.264 23.887 1.00 0.00 N ATOM 419 CD2 HIS A 126 -25.612 12.618 23.115 1.00 0.00 C ATOM 420 CE1 HIS A 126 -27.435 12.523 24.282 1.00 0.00 C ATOM 421 NE2 HIS A 126 -26.519 13.388 23.838 1.00 0.00 N ATOM 0 H HIS A 126 -23.619 10.464 24.205 1.00 0.00 H new ATOM 0 HA HIS A 126 -25.980 8.853 24.198 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -24.496 10.332 21.972 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -26.099 9.648 21.788 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -24.734 12.998 22.614 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -28.288 12.800 24.884 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -26.490 14.395 23.995 1.00 0.00 H new ATOM 508 N TYR A 132 -12.275 6.927 12.280 1.00 0.00 N ATOM 509 CA TYR A 132 -11.192 5.948 11.963 1.00 0.00 C ATOM 510 C TYR A 132 -11.393 4.671 12.805 1.00 0.00 C ATOM 511 O TYR A 132 -10.668 4.445 13.755 1.00 0.00 O ATOM 512 CB TYR A 132 -9.827 6.571 12.280 1.00 0.00 C ATOM 513 CG TYR A 132 -9.706 7.908 11.587 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.598 7.965 10.192 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.704 9.089 12.338 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.487 9.203 9.548 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.593 10.328 11.694 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.485 10.385 10.299 1.00 0.00 C ATOM 519 OH TYR A 132 -9.376 11.605 9.665 1.00 0.00 O ATOM 0 HA TYR A 132 -11.230 5.691 10.904 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.715 6.697 13.357 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -9.028 5.906 11.952 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.600 7.053 9.613 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.788 9.045 13.414 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.403 9.247 8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.591 11.239 12.273 1.00 0.00 H new ATOM 0 HH TYR A 132 -9.392 12.323 10.332 1.00 0.00 H new ATOM 529 N PRO A 133 -12.375 3.863 12.439 1.00 0.00 N ATOM 530 CA PRO A 133 -12.666 2.611 13.164 1.00 0.00 C ATOM 531 C PRO A 133 -11.665 1.518 12.774 1.00 0.00 C ATOM 532 O PRO A 133 -11.121 1.522 11.685 1.00 0.00 O ATOM 533 CB PRO A 133 -14.079 2.244 12.703 1.00 0.00 C ATOM 534 CG PRO A 133 -14.296 2.954 11.347 1.00 0.00 C ATOM 535 CD PRO A 133 -13.281 4.110 11.289 1.00 0.00 C ATOM 0 HA PRO A 133 -12.591 2.719 14.246 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.184 1.164 12.597 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.821 2.566 13.433 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.143 2.262 10.519 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.316 3.329 11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.735 4.112 10.346 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.775 5.078 11.373 1.00 0.00 H new ATOM 543 N CYS A 134 -11.423 0.583 13.658 1.00 0.00 N ATOM 544 CA CYS A 134 -10.461 -0.517 13.356 1.00 0.00 C ATOM 545 C CYS A 134 -11.114 -1.481 12.344 1.00 0.00 C ATOM 546 O CYS A 134 -11.909 -1.066 11.522 1.00 0.00 O ATOM 547 CB CYS A 134 -10.119 -1.241 14.667 1.00 0.00 C ATOM 548 SG CYS A 134 -8.417 -1.865 14.602 1.00 0.00 S ATOM 0 H CYS A 134 -11.854 0.535 14.581 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.541 -0.126 12.921 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -10.234 -0.559 15.510 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.812 -2.066 14.828 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.306 -2.903 15.376 1.00 0.00 H new ATOM 553 N GLY A 135 -10.788 -2.753 12.387 1.00 0.00 N ATOM 554 CA GLY A 135 -11.391 -3.723 11.423 1.00 0.00 C ATOM 555 C GLY A 135 -10.999 -5.149 11.818 1.00 0.00 C ATOM 556 O GLY A 135 -11.789 -6.068 11.711 1.00 0.00 O ATOM 0 H GLY A 135 -10.129 -3.159 13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.476 -3.621 11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.047 -3.507 10.411 1.00 0.00 H new ATOM 560 N LEU A 136 -9.786 -5.337 12.270 1.00 0.00 N ATOM 561 CA LEU A 136 -9.332 -6.703 12.673 1.00 0.00 C ATOM 562 C LEU A 136 -9.882 -7.022 14.066 1.00 0.00 C ATOM 563 O LEU A 136 -10.276 -8.138 14.347 1.00 0.00 O ATOM 564 CB LEU A 136 -7.789 -6.778 12.706 1.00 0.00 C ATOM 565 CG LEU A 136 -7.149 -5.912 11.599 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.642 -6.173 11.561 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.754 -6.258 10.232 1.00 0.00 C ATOM 0 H LEU A 136 -9.088 -4.601 12.378 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.701 -7.426 11.945 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.430 -6.446 13.680 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.473 -7.814 12.585 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.343 -4.862 11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.187 -5.563 10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.204 -5.915 12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.460 -7.227 11.350 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.292 -5.639 9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.572 -7.309 10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.828 -6.072 10.252 1.00 0.00 H new ATOM 579 N CYS A 137 -9.909 -6.046 14.939 1.00 0.00 N ATOM 580 CA CYS A 137 -10.430 -6.276 16.320 1.00 0.00 C ATOM 581 C CYS A 137 -11.702 -5.448 16.558 1.00 0.00 C ATOM 582 O CYS A 137 -12.419 -5.669 17.514 1.00 0.00 O ATOM 583 CB CYS A 137 -9.361 -5.872 17.338 1.00 0.00 C ATOM 584 SG CYS A 137 -8.870 -4.149 17.065 1.00 0.00 S ATOM 0 H CYS A 137 -9.591 -5.095 14.753 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.672 -7.333 16.435 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.746 -5.994 18.350 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.493 -6.525 17.246 1.00 0.00 H new ATOM 0 HG CYS A 137 -9.931 -3.402 16.990 1.00 0.00 H new ATOM 589 N ASN A 138 -11.980 -4.490 15.703 1.00 0.00 N ATOM 590 CA ASN A 138 -13.198 -3.629 15.870 1.00 0.00 C ATOM 591 C ASN A 138 -12.993 -2.681 17.054 1.00 0.00 C ATOM 592 O ASN A 138 -13.264 -3.020 18.190 1.00 0.00 O ATOM 593 CB ASN A 138 -14.455 -4.487 16.109 1.00 0.00 C ATOM 594 CG ASN A 138 -14.485 -5.653 15.118 1.00 0.00 C ATOM 595 OD1 ASN A 138 -14.471 -6.802 15.514 1.00 0.00 O ATOM 596 ND2 ASN A 138 -14.528 -5.405 13.838 1.00 0.00 N ATOM 0 H ASN A 138 -11.409 -4.266 14.888 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.343 -3.056 14.954 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.458 -4.866 17.131 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.350 -3.876 15.993 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -14.550 -6.175 13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -14.540 -4.441 13.505 1.00 0.00 H new ATOM 603 N ARG A 139 -12.517 -1.493 16.786 1.00 0.00 N ATOM 604 CA ARG A 139 -12.285 -0.500 17.877 1.00 0.00 C ATOM 605 C ARG A 139 -12.636 0.897 17.355 1.00 0.00 C ATOM 606 O ARG A 139 -13.193 1.037 16.282 1.00 0.00 O ATOM 607 CB ARG A 139 -10.814 -0.546 18.302 1.00 0.00 C ATOM 608 CG ARG A 139 -10.640 -1.569 19.427 1.00 0.00 C ATOM 609 CD ARG A 139 -9.505 -1.127 20.350 1.00 0.00 C ATOM 610 NE ARG A 139 -10.046 -0.226 21.408 1.00 0.00 N ATOM 611 CZ ARG A 139 -9.381 -0.049 22.518 1.00 0.00 C ATOM 612 NH1 ARG A 139 -8.343 0.739 22.537 1.00 0.00 N ATOM 613 NH2 ARG A 139 -9.757 -0.661 23.608 1.00 0.00 N ATOM 0 H ARG A 139 -12.277 -1.166 15.850 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.910 -0.735 18.739 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.187 -0.814 17.452 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.491 0.439 18.638 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.567 -1.664 19.993 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -10.421 -2.551 19.008 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.033 -1.997 20.805 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -8.736 -0.610 19.776 1.00 0.00 H new ATOM 0 HE ARG A 139 -10.936 0.252 21.265 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.050 1.217 21.685 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -7.824 0.877 23.404 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.570 -1.277 23.592 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -9.238 -0.523 24.475 1.00 0.00 H new ATOM 627 N ALA A 140 -12.326 1.929 18.101 1.00 0.00 N ATOM 628 CA ALA A 140 -12.654 3.311 17.638 1.00 0.00 C ATOM 629 C ALA A 140 -11.506 4.267 17.975 1.00 0.00 C ATOM 630 O ALA A 140 -11.084 4.370 19.112 1.00 0.00 O ATOM 631 CB ALA A 140 -13.933 3.787 18.329 1.00 0.00 C ATOM 0 H ALA A 140 -11.862 1.874 19.007 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.800 3.300 16.558 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.175 4.795 17.993 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.754 3.115 18.079 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.783 3.791 19.409 1.00 0.00 H new ATOM 637 N PHE A 141 -11.006 4.972 16.990 1.00 0.00 N ATOM 638 CA PHE A 141 -9.892 5.936 17.235 1.00 0.00 C ATOM 639 C PHE A 141 -10.239 7.277 16.583 1.00 0.00 C ATOM 640 O PHE A 141 -10.866 7.323 15.542 1.00 0.00 O ATOM 641 CB PHE A 141 -8.597 5.397 16.624 1.00 0.00 C ATOM 642 CG PHE A 141 -8.330 4.005 17.144 1.00 0.00 C ATOM 643 CD1 PHE A 141 -8.951 2.903 16.543 1.00 0.00 C ATOM 644 CD2 PHE A 141 -7.461 3.816 18.225 1.00 0.00 C ATOM 645 CE1 PHE A 141 -8.702 1.612 17.025 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.212 2.525 18.706 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.833 1.424 18.105 1.00 0.00 C ATOM 0 H PHE A 141 -11.324 4.920 16.022 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.755 6.068 18.308 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.676 5.381 15.537 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.764 6.055 16.874 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.621 3.049 15.709 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.983 4.666 18.688 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.181 0.761 16.563 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.541 2.379 19.540 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.641 0.428 18.476 1.00 0.00 H new ATOM 657 N THR A 142 -9.838 8.366 17.189 1.00 0.00 N ATOM 658 CA THR A 142 -10.148 9.707 16.609 1.00 0.00 C ATOM 659 C THR A 142 -8.954 10.208 15.792 1.00 0.00 C ATOM 660 O THR A 142 -9.113 10.954 14.844 1.00 0.00 O ATOM 661 CB THR A 142 -10.440 10.698 17.739 1.00 0.00 C ATOM 662 OG1 THR A 142 -10.960 9.997 18.861 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.462 11.730 17.262 1.00 0.00 C ATOM 0 H THR A 142 -9.309 8.384 18.061 1.00 0.00 H new ATOM 0 HA THR A 142 -11.020 9.623 15.960 1.00 0.00 H new ATOM 0 HB THR A 142 -9.519 11.206 18.024 1.00 0.00 H new ATOM 0 HG1 THR A 142 -11.146 10.631 19.585 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.670 12.435 18.067 1.00 0.00 H new ATOM 0 HG22 THR A 142 -11.062 12.268 16.402 1.00 0.00 H new ATOM 0 HG23 THR A 142 -12.384 11.224 16.976 1.00 0.00 H new ATOM 671 N ARG A 143 -7.762 9.806 16.154 1.00 0.00 N ATOM 672 CA ARG A 143 -6.553 10.259 15.404 1.00 0.00 C ATOM 673 C ARG A 143 -6.131 9.179 14.406 1.00 0.00 C ATOM 674 O ARG A 143 -6.173 7.999 14.702 1.00 0.00 O ATOM 675 CB ARG A 143 -5.409 10.518 16.386 1.00 0.00 C ATOM 676 CG ARG A 143 -5.711 11.774 17.205 1.00 0.00 C ATOM 677 CD ARG A 143 -5.224 13.010 16.445 1.00 0.00 C ATOM 678 NE ARG A 143 -3.788 13.253 16.761 1.00 0.00 N ATOM 679 CZ ARG A 143 -3.197 14.331 16.322 1.00 0.00 C ATOM 680 NH1 ARG A 143 -3.567 15.503 16.764 1.00 0.00 N ATOM 681 NH2 ARG A 143 -2.238 14.238 15.442 1.00 0.00 N ATOM 0 H ARG A 143 -7.574 9.182 16.939 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.787 11.178 14.866 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.284 9.661 17.048 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.472 10.642 15.844 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.782 11.849 17.394 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.220 11.714 18.176 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.352 12.864 15.372 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -5.821 13.879 16.722 1.00 0.00 H new ATOM 0 HE ARG A 143 -3.267 12.577 17.320 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -4.317 15.575 17.452 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -3.106 16.346 16.422 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -1.950 13.323 15.097 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -1.777 15.081 15.099 1.00 0.00 H new ATOM 695 N ARG A 144 -5.719 9.577 13.229 1.00 0.00 N ATOM 696 CA ARG A 144 -5.287 8.581 12.205 1.00 0.00 C ATOM 697 C ARG A 144 -3.998 7.904 12.672 1.00 0.00 C ATOM 698 O ARG A 144 -3.805 6.718 12.478 1.00 0.00 O ATOM 699 CB ARG A 144 -5.037 9.293 10.873 1.00 0.00 C ATOM 700 CG ARG A 144 -4.745 8.256 9.788 1.00 0.00 C ATOM 701 CD ARG A 144 -6.052 7.857 9.097 1.00 0.00 C ATOM 702 NE ARG A 144 -5.864 6.557 8.394 1.00 0.00 N ATOM 703 CZ ARG A 144 -6.489 6.326 7.272 1.00 0.00 C ATOM 704 NH1 ARG A 144 -7.773 6.096 7.276 1.00 0.00 N ATOM 705 NH2 ARG A 144 -5.829 6.324 6.146 1.00 0.00 N ATOM 0 H ARG A 144 -5.663 10.552 12.933 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.067 7.831 12.073 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -5.908 9.888 10.597 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.197 9.982 10.968 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.046 8.665 9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -4.271 7.378 10.227 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -6.853 7.773 9.831 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -6.350 8.628 8.386 1.00 0.00 H new ATOM 0 HE ARG A 144 -5.247 5.848 8.790 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -8.289 6.097 8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -8.262 5.915 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -4.825 6.503 6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -6.317 6.143 5.269 1.00 0.00 H new ATOM 719 N ASP A 145 -3.117 8.650 13.291 1.00 0.00 N ATOM 720 CA ASP A 145 -1.836 8.059 13.780 1.00 0.00 C ATOM 721 C ASP A 145 -2.135 6.985 14.829 1.00 0.00 C ATOM 722 O ASP A 145 -1.379 6.048 14.999 1.00 0.00 O ATOM 723 CB ASP A 145 -0.974 9.158 14.406 1.00 0.00 C ATOM 724 CG ASP A 145 -1.780 9.889 15.481 1.00 0.00 C ATOM 725 OD1 ASP A 145 -1.840 9.389 16.592 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.322 10.938 15.174 1.00 0.00 O ATOM 0 H ASP A 145 -3.231 9.646 13.479 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.301 7.609 12.943 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.074 8.725 14.843 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.649 9.861 13.639 1.00 0.00 H new ATOM 731 N LEU A 146 -3.233 7.116 15.530 1.00 0.00 N ATOM 732 CA LEU A 146 -3.591 6.108 16.569 1.00 0.00 C ATOM 733 C LEU A 146 -3.969 4.786 15.900 1.00 0.00 C ATOM 734 O LEU A 146 -3.490 3.734 16.271 1.00 0.00 O ATOM 735 CB LEU A 146 -4.785 6.616 17.380 1.00 0.00 C ATOM 736 CG LEU A 146 -4.288 7.401 18.596 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.485 8.006 19.333 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.533 6.460 19.539 1.00 0.00 C ATOM 0 H LEU A 146 -3.899 7.882 15.425 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.735 5.952 17.226 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.415 7.252 16.758 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.400 5.777 17.704 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.620 8.197 18.267 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.134 8.566 20.200 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -6.024 8.676 18.663 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.151 7.208 19.662 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.179 7.020 20.405 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.200 5.664 19.869 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.682 6.026 19.015 1.00 0.00 H new ATOM 750 N LEU A 147 -4.839 4.839 14.926 1.00 0.00 N ATOM 751 CA LEU A 147 -5.275 3.592 14.227 1.00 0.00 C ATOM 752 C LEU A 147 -4.072 2.893 13.583 1.00 0.00 C ATOM 753 O LEU A 147 -3.987 1.679 13.578 1.00 0.00 O ATOM 754 CB LEU A 147 -6.293 3.949 13.142 1.00 0.00 C ATOM 755 CG LEU A 147 -7.207 2.749 12.886 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.373 3.177 11.993 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.414 1.643 12.188 1.00 0.00 C ATOM 0 H LEU A 147 -5.269 5.697 14.582 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.727 2.919 14.955 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.884 4.810 13.452 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.778 4.230 12.223 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.592 2.378 13.836 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.024 2.322 11.810 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.940 3.966 12.488 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.987 3.548 11.044 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.065 0.788 12.006 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.029 2.015 11.239 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.582 1.337 12.822 1.00 0.00 H new ATOM 769 N ILE A 148 -3.148 3.644 13.036 1.00 0.00 N ATOM 770 CA ILE A 148 -1.958 3.013 12.386 1.00 0.00 C ATOM 771 C ILE A 148 -1.113 2.299 13.442 1.00 0.00 C ATOM 772 O ILE A 148 -0.948 1.099 13.401 1.00 0.00 O ATOM 773 CB ILE A 148 -1.111 4.083 11.692 1.00 0.00 C ATOM 774 CG1 ILE A 148 -1.978 4.853 10.692 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.048 3.412 10.946 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.244 6.120 10.247 1.00 0.00 C ATOM 0 H ILE A 148 -3.166 4.664 13.011 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.300 2.291 11.644 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.716 4.772 12.438 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.199 4.226 9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.933 5.115 11.149 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.652 4.173 10.452 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.667 2.862 11.655 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.349 2.723 10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -1.862 6.667 9.535 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.046 6.749 11.115 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.301 5.847 9.774 1.00 0.00 H new ATOM 788 N ARG A 149 -0.575 3.031 14.386 1.00 0.00 N ATOM 789 CA ARG A 149 0.271 2.408 15.455 1.00 0.00 C ATOM 790 C ARG A 149 -0.488 1.263 16.148 1.00 0.00 C ATOM 791 O ARG A 149 0.110 0.375 16.727 1.00 0.00 O ATOM 792 CB ARG A 149 0.636 3.481 16.487 1.00 0.00 C ATOM 793 CG ARG A 149 1.586 2.895 17.539 1.00 0.00 C ATOM 794 CD ARG A 149 0.792 2.490 18.786 1.00 0.00 C ATOM 795 NE ARG A 149 1.515 2.947 20.005 1.00 0.00 N ATOM 796 CZ ARG A 149 0.858 3.148 21.114 1.00 0.00 C ATOM 797 NH1 ARG A 149 -0.233 3.865 21.106 1.00 0.00 N ATOM 798 NH2 ARG A 149 1.292 2.633 22.232 1.00 0.00 N ATOM 0 H ARG A 149 -0.686 4.042 14.464 1.00 0.00 H new ATOM 0 HA ARG A 149 1.174 1.999 15.003 1.00 0.00 H new ATOM 0 HB2 ARG A 149 1.108 4.329 15.991 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.267 3.856 16.969 1.00 0.00 H new ATOM 0 HG2 ARG A 149 2.106 2.029 17.130 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.348 3.629 17.804 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.205 2.931 18.755 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.662 1.408 18.812 1.00 0.00 H new ATOM 0 HE ARG A 149 2.523 3.103 19.973 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -0.572 4.268 20.233 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -0.746 4.022 21.973 1.00 0.00 H new ATOM 0 HH21 ARG A 149 2.145 2.073 22.239 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.778 2.790 23.099 1.00 0.00 H new ATOM 812 N HIS A 150 -1.795 1.284 16.095 1.00 0.00 N ATOM 813 CA HIS A 150 -2.601 0.211 16.746 1.00 0.00 C ATOM 814 C HIS A 150 -2.426 -1.102 15.962 1.00 0.00 C ATOM 815 O HIS A 150 -2.011 -2.105 16.509 1.00 0.00 O ATOM 816 CB HIS A 150 -4.076 0.658 16.758 1.00 0.00 C ATOM 817 CG HIS A 150 -4.983 -0.462 17.203 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.610 -1.381 18.169 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.246 -0.823 16.808 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.631 -2.247 18.320 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.654 -1.952 17.512 1.00 0.00 N ATOM 0 H HIS A 150 -2.342 2.005 15.624 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.270 0.040 17.770 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.194 1.512 17.425 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.366 0.990 15.761 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.835 -0.309 16.063 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.624 -3.078 19.010 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.542 -2.447 17.429 1.00 0.00 H new ATOM 829 N ALA A 151 -2.744 -1.102 14.692 1.00 0.00 N ATOM 830 CA ALA A 151 -2.604 -2.350 13.879 1.00 0.00 C ATOM 831 C ALA A 151 -1.122 -2.686 13.650 1.00 0.00 C ATOM 832 O ALA A 151 -0.792 -3.781 13.237 1.00 0.00 O ATOM 833 CB ALA A 151 -3.296 -2.159 12.526 1.00 0.00 C ATOM 0 H ALA A 151 -3.095 -0.291 14.182 1.00 0.00 H new ATOM 0 HA ALA A 151 -3.069 -3.172 14.422 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -3.194 -3.068 11.934 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.353 -1.946 12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.834 -1.327 11.995 1.00 0.00 H new ATOM 839 N GLN A 152 -0.227 -1.761 13.903 1.00 0.00 N ATOM 840 CA GLN A 152 1.226 -2.040 13.690 1.00 0.00 C ATOM 841 C GLN A 152 1.846 -2.605 14.973 1.00 0.00 C ATOM 842 O GLN A 152 2.858 -3.281 14.933 1.00 0.00 O ATOM 843 CB GLN A 152 1.946 -0.739 13.317 1.00 0.00 C ATOM 844 CG GLN A 152 1.218 -0.039 12.159 1.00 0.00 C ATOM 845 CD GLN A 152 2.068 -0.115 10.887 1.00 0.00 C ATOM 846 OE1 GLN A 152 1.573 -0.457 9.832 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.335 0.192 10.945 1.00 0.00 N ATOM 0 H GLN A 152 -0.441 -0.825 14.248 1.00 0.00 H new ATOM 0 HA GLN A 152 1.333 -2.768 12.886 1.00 0.00 H new ATOM 0 HB2 GLN A 152 1.987 -0.077 14.182 1.00 0.00 H new ATOM 0 HB3 GLN A 152 2.976 -0.954 13.031 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.250 -0.510 11.989 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.025 1.002 12.416 1.00 0.00 H new ATOM 0 HE21 GLN A 152 3.750 0.479 11.831 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.910 0.145 10.104 1.00 0.00 H new ATOM 856 N LYS A 153 1.260 -2.319 16.111 1.00 0.00 N ATOM 857 CA LYS A 153 1.827 -2.821 17.398 1.00 0.00 C ATOM 858 C LYS A 153 1.200 -4.165 17.771 1.00 0.00 C ATOM 859 O LYS A 153 1.817 -4.979 18.435 1.00 0.00 O ATOM 860 CB LYS A 153 1.530 -1.808 18.505 1.00 0.00 C ATOM 861 CG LYS A 153 2.638 -0.755 18.544 1.00 0.00 C ATOM 862 CD LYS A 153 2.888 -0.329 19.992 1.00 0.00 C ATOM 863 CE LYS A 153 3.993 -1.197 20.596 1.00 0.00 C ATOM 864 NZ LYS A 153 5.320 -0.728 20.103 1.00 0.00 N ATOM 0 H LYS A 153 0.413 -1.759 16.202 1.00 0.00 H new ATOM 0 HA LYS A 153 2.903 -2.952 17.282 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.566 -1.331 18.327 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.461 -2.315 19.468 1.00 0.00 H new ATOM 0 HG2 LYS A 153 3.553 -1.158 18.110 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.354 0.109 17.944 1.00 0.00 H new ATOM 0 HD2 LYS A 153 3.176 0.722 20.029 1.00 0.00 H new ATOM 0 HD3 LYS A 153 1.972 -0.429 20.575 1.00 0.00 H new ATOM 0 HE2 LYS A 153 3.958 -1.144 21.684 1.00 0.00 H new ATOM 0 HE3 LYS A 153 3.840 -2.241 20.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 6.071 -1.108 20.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.465 -1.060 19.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 5.350 0.311 20.123 1.00 0.00 H new ATOM 878 N ILE A 154 -0.023 -4.399 17.369 1.00 0.00 N ATOM 879 CA ILE A 154 -0.693 -5.686 17.722 1.00 0.00 C ATOM 880 C ILE A 154 -1.027 -6.470 16.451 1.00 0.00 C ATOM 881 O ILE A 154 -0.825 -7.668 16.385 1.00 0.00 O ATOM 882 CB ILE A 154 -1.979 -5.386 18.497 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.650 -4.492 19.697 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.596 -6.695 18.991 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.699 -3.024 19.273 1.00 0.00 C ATOM 0 H ILE A 154 -0.586 -3.755 16.812 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.023 -6.286 18.338 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.687 -4.876 17.844 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.361 -4.672 20.503 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.661 -4.736 20.085 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.511 -6.480 19.543 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.827 -7.333 18.138 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.890 -7.206 19.645 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.465 -2.390 20.128 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.970 -2.849 18.481 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.697 -2.784 18.906 1.00 0.00 H new ATOM 897 N HIS A 155 -1.536 -5.806 15.444 1.00 0.00 N ATOM 898 CA HIS A 155 -1.884 -6.517 14.175 1.00 0.00 C ATOM 899 C HIS A 155 -0.685 -6.510 13.215 1.00 0.00 C ATOM 900 O HIS A 155 -0.829 -6.812 12.047 1.00 0.00 O ATOM 901 CB HIS A 155 -3.068 -5.818 13.497 1.00 0.00 C ATOM 902 CG HIS A 155 -4.187 -5.618 14.485 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.372 -6.454 15.575 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.186 -4.679 14.559 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.447 -6.007 16.251 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.981 -4.926 15.674 1.00 0.00 N ATOM 0 H HIS A 155 -1.726 -4.804 15.445 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.149 -7.547 14.416 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.751 -4.856 13.096 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.419 -6.415 12.655 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -5.333 -3.871 13.858 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -5.831 -6.466 17.150 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.796 -4.396 15.984 1.00 0.00 H new