USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 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 -142:sc= 0.338 USER MOD Set 1.2: A 137 CYS SG : rot -120:sc= -0.159 USER MOD Set 1.3: A 150 HIS : no HE2:sc= -0.0816 K(o=-6.3,f=-19!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -6.43! C(o=-6.3!,f=-14!) USER MOD Set 2.1: A 106 CYS SG : rot -2:sc= -1.41 USER MOD Set 2.2: A 109 CYS SG : rot -61:sc= -0.971 USER MOD Set 2.3: A 122 HIS : no HE2:sc= -2.32 K(o=-6.1,f=-13!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -1.41 K(o=-6.1,f=-14!) USER MOD Single : A 110 THR OG1 : rot 6:sc= 0.56 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.076) USER MOD Single : A 120 LYS NZ :NH3+ -115:sc= -0.213 (180deg=-0.88) USER MOD Single : A 123 TYR OH : rot 30:sc= -0.485 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= -0.214 K(o=-0.21,f=-1.3!) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.222 K(o=-0.22,f=-0.98) USER MOD Single : A 153 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.311) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -37.968 6.414 17.534 1.00 0.00 N ATOM 37 CA PHE A 104 -36.718 6.052 18.259 1.00 0.00 C ATOM 38 C PHE A 104 -35.529 6.448 17.388 1.00 0.00 C ATOM 39 O PHE A 104 -34.850 5.613 16.819 1.00 0.00 O ATOM 40 CB PHE A 104 -36.683 4.548 18.523 1.00 0.00 C ATOM 41 CG PHE A 104 -37.852 4.157 19.392 1.00 0.00 C ATOM 42 CD1 PHE A 104 -39.122 4.001 18.826 1.00 0.00 C ATOM 43 CD2 PHE A 104 -37.667 3.949 20.763 1.00 0.00 C ATOM 44 CE1 PHE A 104 -40.208 3.638 19.630 1.00 0.00 C ATOM 45 CE2 PHE A 104 -38.752 3.586 21.569 1.00 0.00 C ATOM 46 CZ PHE A 104 -40.023 3.429 21.002 1.00 0.00 C ATOM 0 HA PHE A 104 -36.678 6.573 19.215 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -36.720 4.003 17.580 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -35.747 4.276 19.012 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -39.264 4.161 17.767 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -36.686 4.069 21.200 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -41.188 3.519 19.193 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -38.609 3.427 22.628 1.00 0.00 H new ATOM 0 HZ PHE A 104 -40.860 3.147 21.623 1.00 0.00 H new ATOM 56 N VAL A 105 -35.289 7.724 17.272 1.00 0.00 N ATOM 57 CA VAL A 105 -34.160 8.203 16.429 1.00 0.00 C ATOM 58 C VAL A 105 -32.836 7.712 17.018 1.00 0.00 C ATOM 59 O VAL A 105 -32.767 7.317 18.166 1.00 0.00 O ATOM 60 CB VAL A 105 -34.176 9.736 16.374 1.00 0.00 C ATOM 61 CG1 VAL A 105 -35.514 10.217 15.797 1.00 0.00 C ATOM 62 CG2 VAL A 105 -33.989 10.318 17.778 1.00 0.00 C ATOM 0 H VAL A 105 -35.830 8.459 17.728 1.00 0.00 H new ATOM 0 HA VAL A 105 -34.266 7.809 15.418 1.00 0.00 H new ATOM 0 HB VAL A 105 -33.359 10.074 15.737 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -35.523 11.306 15.759 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -35.641 9.818 14.791 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -36.330 9.869 16.431 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -34.002 11.407 17.725 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -34.797 9.976 18.424 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -33.034 9.986 18.185 1.00 0.00 H new ATOM 72 N CYS A 106 -31.787 7.739 16.237 1.00 0.00 N ATOM 73 CA CYS A 106 -30.459 7.278 16.744 1.00 0.00 C ATOM 74 C CYS A 106 -30.030 8.157 17.922 1.00 0.00 C ATOM 75 O CYS A 106 -30.324 9.338 17.966 1.00 0.00 O ATOM 76 CB CYS A 106 -29.421 7.376 15.624 1.00 0.00 C ATOM 77 SG CYS A 106 -27.990 6.350 16.037 1.00 0.00 S ATOM 0 H CYS A 106 -31.792 8.061 15.269 1.00 0.00 H new ATOM 0 HA CYS A 106 -30.535 6.242 17.074 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -29.857 7.048 14.680 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -29.112 8.413 15.490 1.00 0.00 H new ATOM 0 HG CYS A 106 -28.166 5.810 17.206 1.00 0.00 H new ATOM 82 N GLU A 107 -29.341 7.587 18.879 1.00 0.00 N ATOM 83 CA GLU A 107 -28.893 8.380 20.065 1.00 0.00 C ATOM 84 C GLU A 107 -27.502 8.979 19.823 1.00 0.00 C ATOM 85 O GLU A 107 -26.805 9.323 20.760 1.00 0.00 O ATOM 86 CB GLU A 107 -28.841 7.467 21.291 1.00 0.00 C ATOM 87 CG GLU A 107 -30.252 7.292 21.851 1.00 0.00 C ATOM 88 CD GLU A 107 -30.172 6.948 23.340 1.00 0.00 C ATOM 89 OE1 GLU A 107 -29.690 7.778 24.095 1.00 0.00 O ATOM 90 OE2 GLU A 107 -30.594 5.862 23.701 1.00 0.00 O ATOM 0 H GLU A 107 -29.069 6.604 18.890 1.00 0.00 H new ATOM 0 HA GLU A 107 -29.601 9.193 20.230 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -28.422 6.498 21.019 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -28.187 7.895 22.050 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -30.827 8.207 21.709 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -30.773 6.501 21.312 1.00 0.00 H new ATOM 97 N VAL A 108 -27.091 9.110 18.586 1.00 0.00 N ATOM 98 CA VAL A 108 -25.745 9.690 18.301 1.00 0.00 C ATOM 99 C VAL A 108 -25.869 10.781 17.237 1.00 0.00 C ATOM 100 O VAL A 108 -25.355 11.872 17.395 1.00 0.00 O ATOM 101 CB VAL A 108 -24.807 8.592 17.798 1.00 0.00 C ATOM 102 CG1 VAL A 108 -23.388 9.151 17.677 1.00 0.00 C ATOM 103 CG2 VAL A 108 -24.810 7.426 18.788 1.00 0.00 C ATOM 0 H VAL A 108 -27.630 8.840 17.763 1.00 0.00 H new ATOM 0 HA VAL A 108 -25.340 10.121 19.216 1.00 0.00 H new ATOM 0 HB VAL A 108 -25.146 8.243 16.823 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -22.718 8.369 17.319 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -23.384 9.983 16.973 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -23.050 9.499 18.653 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -24.142 6.643 18.430 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -24.470 7.776 19.763 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -25.821 7.027 18.878 1.00 0.00 H new ATOM 113 N CYS A 109 -26.546 10.494 16.156 1.00 0.00 N ATOM 114 CA CYS A 109 -26.706 11.514 15.077 1.00 0.00 C ATOM 115 C CYS A 109 -28.176 11.941 14.964 1.00 0.00 C ATOM 116 O CYS A 109 -28.575 12.525 13.976 1.00 0.00 O ATOM 117 CB CYS A 109 -26.242 10.924 13.740 1.00 0.00 C ATOM 118 SG CYS A 109 -27.133 9.383 13.402 1.00 0.00 S ATOM 0 H CYS A 109 -26.995 9.597 15.973 1.00 0.00 H new ATOM 0 HA CYS A 109 -26.101 12.386 15.323 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -26.418 11.639 12.937 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -25.169 10.735 13.769 1.00 0.00 H new ATOM 0 HG CYS A 109 -26.878 8.520 14.340 1.00 0.00 H new ATOM 123 N THR A 110 -28.985 11.657 15.964 1.00 0.00 N ATOM 124 CA THR A 110 -30.437 12.049 15.921 1.00 0.00 C ATOM 125 C THR A 110 -31.070 11.610 14.591 1.00 0.00 C ATOM 126 O THR A 110 -31.721 12.383 13.913 1.00 0.00 O ATOM 127 CB THR A 110 -30.572 13.569 16.088 1.00 0.00 C ATOM 128 OG1 THR A 110 -30.086 14.222 14.924 1.00 0.00 O ATOM 129 CG2 THR A 110 -29.770 14.030 17.307 1.00 0.00 C ATOM 0 H THR A 110 -28.700 11.168 16.813 1.00 0.00 H new ATOM 0 HA THR A 110 -30.959 11.551 16.738 1.00 0.00 H new ATOM 0 HB THR A 110 -31.622 13.821 16.233 1.00 0.00 H new ATOM 0 HG1 THR A 110 -29.865 13.554 14.242 1.00 0.00 H new ATOM 0 HG21 THR A 110 -29.869 15.109 17.421 1.00 0.00 H new ATOM 0 HG22 THR A 110 -30.149 13.534 18.201 1.00 0.00 H new ATOM 0 HG23 THR A 110 -28.719 13.775 17.169 1.00 0.00 H new ATOM 137 N ARG A 111 -30.873 10.372 14.219 1.00 0.00 N ATOM 138 CA ARG A 111 -31.445 9.863 12.939 1.00 0.00 C ATOM 139 C ARG A 111 -32.981 9.877 13.022 1.00 0.00 C ATOM 140 O ARG A 111 -33.554 10.715 13.690 1.00 0.00 O ATOM 141 CB ARG A 111 -30.924 8.439 12.701 1.00 0.00 C ATOM 142 CG ARG A 111 -30.772 8.192 11.197 1.00 0.00 C ATOM 143 CD ARG A 111 -29.328 8.471 10.776 1.00 0.00 C ATOM 144 NE ARG A 111 -29.148 9.933 10.557 1.00 0.00 N ATOM 145 CZ ARG A 111 -28.821 10.381 9.375 1.00 0.00 C ATOM 146 NH1 ARG A 111 -27.598 10.247 8.943 1.00 0.00 N ATOM 147 NH2 ARG A 111 -29.717 10.963 8.627 1.00 0.00 N ATOM 0 H ARG A 111 -30.336 9.688 14.752 1.00 0.00 H new ATOM 0 HA ARG A 111 -31.142 10.498 12.106 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -29.965 8.304 13.201 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -31.613 7.712 13.131 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -31.039 7.163 10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -31.454 8.835 10.641 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -28.640 8.120 11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -29.092 7.924 9.863 1.00 0.00 H new ATOM 0 HE ARG A 111 -29.280 10.585 11.331 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -26.897 9.792 9.528 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -27.342 10.597 8.020 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -30.673 11.068 8.965 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -29.461 11.313 7.704 1.00 0.00 H new ATOM 161 N ALA A 112 -33.656 8.974 12.345 1.00 0.00 N ATOM 162 CA ALA A 112 -35.145 8.961 12.403 1.00 0.00 C ATOM 163 C ALA A 112 -35.659 7.535 12.197 1.00 0.00 C ATOM 164 O ALA A 112 -35.828 7.083 11.081 1.00 0.00 O ATOM 165 CB ALA A 112 -35.713 9.874 11.317 1.00 0.00 C ATOM 0 H ALA A 112 -33.237 8.251 11.759 1.00 0.00 H new ATOM 0 HA ALA A 112 -35.467 9.321 13.380 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -36.802 9.861 11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -35.355 10.892 11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -35.388 9.521 10.338 1.00 0.00 H new ATOM 171 N PHE A 113 -35.914 6.829 13.269 1.00 0.00 N ATOM 172 CA PHE A 113 -36.425 5.433 13.149 1.00 0.00 C ATOM 173 C PHE A 113 -37.763 5.321 13.884 1.00 0.00 C ATOM 174 O PHE A 113 -38.143 6.204 14.630 1.00 0.00 O ATOM 175 CB PHE A 113 -35.417 4.462 13.767 1.00 0.00 C ATOM 176 CG PHE A 113 -34.110 4.557 13.017 1.00 0.00 C ATOM 177 CD1 PHE A 113 -34.011 4.047 11.717 1.00 0.00 C ATOM 178 CD2 PHE A 113 -32.997 5.154 13.622 1.00 0.00 C ATOM 179 CE1 PHE A 113 -32.799 4.134 11.022 1.00 0.00 C ATOM 180 CE2 PHE A 113 -31.785 5.241 12.926 1.00 0.00 C ATOM 181 CZ PHE A 113 -31.686 4.731 11.626 1.00 0.00 C ATOM 0 H PHE A 113 -35.789 7.162 14.225 1.00 0.00 H new ATOM 0 HA PHE A 113 -36.564 5.184 12.097 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -35.264 4.700 14.820 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -35.802 3.443 13.723 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -34.869 3.587 11.251 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -33.073 5.547 14.625 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -32.722 3.740 10.019 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -30.927 5.702 13.392 1.00 0.00 H new ATOM 0 HZ PHE A 113 -30.751 4.798 11.089 1.00 0.00 H new ATOM 191 N ALA A 114 -38.481 4.246 13.674 1.00 0.00 N ATOM 192 CA ALA A 114 -39.800 4.080 14.353 1.00 0.00 C ATOM 193 C ALA A 114 -39.748 2.896 15.323 1.00 0.00 C ATOM 194 O ALA A 114 -40.449 2.872 16.317 1.00 0.00 O ATOM 195 CB ALA A 114 -40.883 3.826 13.302 1.00 0.00 C ATOM 0 H ALA A 114 -38.210 3.477 13.061 1.00 0.00 H new ATOM 0 HA ALA A 114 -40.030 4.988 14.910 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -41.847 3.704 13.795 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -40.930 4.672 12.616 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -40.644 2.920 12.745 1.00 0.00 H new ATOM 201 N ARG A 115 -38.930 1.914 15.040 1.00 0.00 N ATOM 202 CA ARG A 115 -38.841 0.729 15.944 1.00 0.00 C ATOM 203 C ARG A 115 -37.407 0.576 16.458 1.00 0.00 C ATOM 204 O ARG A 115 -36.454 0.693 15.710 1.00 0.00 O ATOM 205 CB ARG A 115 -39.250 -0.530 15.176 1.00 0.00 C ATOM 206 CG ARG A 115 -40.658 -0.341 14.603 1.00 0.00 C ATOM 207 CD ARG A 115 -41.315 -1.708 14.399 1.00 0.00 C ATOM 208 NE ARG A 115 -42.798 -1.554 14.403 1.00 0.00 N ATOM 209 CZ ARG A 115 -43.450 -1.479 13.274 1.00 0.00 C ATOM 210 NH1 ARG A 115 -42.997 -0.730 12.307 1.00 0.00 N ATOM 211 NH2 ARG A 115 -44.556 -2.154 13.113 1.00 0.00 N ATOM 0 H ARG A 115 -38.321 1.882 14.223 1.00 0.00 H new ATOM 0 HA ARG A 115 -39.511 0.871 16.792 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -38.541 -0.725 14.371 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -39.228 -1.396 15.837 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -41.259 0.266 15.280 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -40.607 0.195 13.655 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -40.987 -2.144 13.455 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -41.008 -2.392 15.190 1.00 0.00 H new ATOM 0 HE ARG A 115 -43.303 -1.507 15.288 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -42.133 -0.202 12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -43.507 -0.672 11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -44.911 -2.740 13.869 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -45.065 -2.096 12.231 1.00 0.00 H new ATOM 225 N GLN A 116 -37.253 0.315 17.731 1.00 0.00 N ATOM 226 CA GLN A 116 -35.887 0.152 18.313 1.00 0.00 C ATOM 227 C GLN A 116 -35.188 -1.055 17.681 1.00 0.00 C ATOM 228 O GLN A 116 -33.975 -1.136 17.670 1.00 0.00 O ATOM 229 CB GLN A 116 -36.001 -0.060 19.824 1.00 0.00 C ATOM 230 CG GLN A 116 -34.605 -0.058 20.448 1.00 0.00 C ATOM 231 CD GLN A 116 -34.724 0.047 21.969 1.00 0.00 C ATOM 232 OE1 GLN A 116 -34.442 1.079 22.543 1.00 0.00 O ATOM 233 NE2 GLN A 116 -35.134 -0.988 22.652 1.00 0.00 N ATOM 0 H GLN A 116 -38.019 0.207 18.396 1.00 0.00 H new ATOM 0 HA GLN A 116 -35.303 1.049 18.110 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -36.610 0.728 20.267 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -36.502 -1.005 20.032 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -34.073 -0.970 20.177 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -34.023 0.778 20.060 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -35.371 -1.855 22.170 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -35.217 -0.929 23.667 1.00 0.00 H new ATOM 242 N GLU A 117 -35.939 -1.993 17.155 1.00 0.00 N ATOM 243 CA GLU A 117 -35.314 -3.192 16.522 1.00 0.00 C ATOM 244 C GLU A 117 -34.455 -2.749 15.337 1.00 0.00 C ATOM 245 O GLU A 117 -33.327 -3.177 15.180 1.00 0.00 O ATOM 246 CB GLU A 117 -36.409 -4.140 16.027 1.00 0.00 C ATOM 247 CG GLU A 117 -37.337 -4.505 17.188 1.00 0.00 C ATOM 248 CD GLU A 117 -36.893 -5.833 17.802 1.00 0.00 C ATOM 249 OE1 GLU A 117 -35.702 -5.999 18.010 1.00 0.00 O ATOM 250 OE2 GLU A 117 -37.752 -6.663 18.054 1.00 0.00 O ATOM 0 H GLU A 117 -36.959 -1.978 17.138 1.00 0.00 H new ATOM 0 HA GLU A 117 -34.692 -3.706 17.255 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -36.979 -3.667 15.228 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -35.961 -5.042 15.609 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -37.318 -3.719 17.943 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -38.365 -4.582 16.835 1.00 0.00 H new ATOM 257 N HIS A 118 -34.985 -1.887 14.508 1.00 0.00 N ATOM 258 CA HIS A 118 -34.210 -1.398 13.330 1.00 0.00 C ATOM 259 C HIS A 118 -33.085 -0.481 13.813 1.00 0.00 C ATOM 260 O HIS A 118 -32.023 -0.422 13.223 1.00 0.00 O ATOM 261 CB HIS A 118 -35.138 -0.624 12.393 1.00 0.00 C ATOM 262 CG HIS A 118 -35.934 -1.594 11.566 1.00 0.00 C ATOM 263 ND1 HIS A 118 -37.171 -1.270 11.031 1.00 0.00 N ATOM 264 CD2 HIS A 118 -35.683 -2.887 11.175 1.00 0.00 C ATOM 265 CE1 HIS A 118 -37.614 -2.345 10.354 1.00 0.00 C ATOM 266 NE2 HIS A 118 -36.745 -3.359 10.409 1.00 0.00 N ATOM 0 H HIS A 118 -35.924 -1.500 14.597 1.00 0.00 H new ATOM 0 HA HIS A 118 -33.784 -2.246 12.793 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -35.807 0.013 12.971 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -34.555 0.031 11.745 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -34.796 -3.451 11.424 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -38.557 -2.384 9.830 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -36.840 -4.280 9.982 1.00 0.00 H new ATOM 274 N LEU A 119 -33.312 0.231 14.889 1.00 0.00 N ATOM 275 CA LEU A 119 -32.266 1.142 15.428 1.00 0.00 C ATOM 276 C LEU A 119 -31.053 0.320 15.865 1.00 0.00 C ATOM 277 O LEU A 119 -29.928 0.780 15.814 1.00 0.00 O ATOM 278 CB LEU A 119 -32.832 1.897 16.636 1.00 0.00 C ATOM 279 CG LEU A 119 -32.251 3.310 16.684 1.00 0.00 C ATOM 280 CD1 LEU A 119 -32.848 4.065 17.871 1.00 0.00 C ATOM 281 CD2 LEU A 119 -30.731 3.234 16.846 1.00 0.00 C ATOM 0 H LEU A 119 -34.184 0.217 15.418 1.00 0.00 H new ATOM 0 HA LEU A 119 -31.964 1.853 14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -33.919 1.943 16.570 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -32.591 1.363 17.555 1.00 0.00 H new ATOM 0 HG LEU A 119 -32.493 3.832 15.758 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -32.434 5.073 17.906 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -33.931 4.121 17.759 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -32.605 3.541 18.795 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -30.318 4.242 16.880 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -30.489 2.711 17.772 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -30.302 2.694 16.002 1.00 0.00 H new ATOM 293 N LYS A 120 -31.278 -0.895 16.297 1.00 0.00 N ATOM 294 CA LYS A 120 -30.148 -1.765 16.746 1.00 0.00 C ATOM 295 C LYS A 120 -29.159 -1.969 15.594 1.00 0.00 C ATOM 296 O LYS A 120 -27.960 -1.864 15.770 1.00 0.00 O ATOM 297 CB LYS A 120 -30.703 -3.122 17.189 1.00 0.00 C ATOM 298 CG LYS A 120 -30.977 -3.096 18.695 1.00 0.00 C ATOM 299 CD LYS A 120 -30.945 -4.523 19.248 1.00 0.00 C ATOM 300 CE LYS A 120 -29.561 -4.818 19.828 1.00 0.00 C ATOM 301 NZ LYS A 120 -29.320 -3.939 21.008 1.00 0.00 N ATOM 0 H LYS A 120 -32.201 -1.324 16.358 1.00 0.00 H new ATOM 0 HA LYS A 120 -29.632 -1.288 17.579 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -31.621 -3.346 16.646 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -29.991 -3.913 16.952 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -30.231 -2.483 19.200 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -31.948 -2.641 18.890 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -31.706 -4.642 20.019 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -31.178 -5.236 18.457 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -29.493 -5.866 20.121 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -28.794 -4.649 19.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -28.536 -3.288 20.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -30.180 -3.391 21.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -29.077 -4.524 21.833 1.00 0.00 H new ATOM 315 N ARG A 121 -29.655 -2.258 14.417 1.00 0.00 N ATOM 316 CA ARG A 121 -28.753 -2.468 13.247 1.00 0.00 C ATOM 317 C ARG A 121 -28.057 -1.153 12.895 1.00 0.00 C ATOM 318 O ARG A 121 -26.858 -1.108 12.688 1.00 0.00 O ATOM 319 CB ARG A 121 -29.578 -2.943 12.048 1.00 0.00 C ATOM 320 CG ARG A 121 -29.669 -4.469 12.060 1.00 0.00 C ATOM 321 CD ARG A 121 -30.806 -4.925 11.141 1.00 0.00 C ATOM 322 NE ARG A 121 -32.023 -5.200 11.955 1.00 0.00 N ATOM 323 CZ ARG A 121 -32.112 -6.304 12.646 1.00 0.00 C ATOM 324 NH1 ARG A 121 -32.476 -7.412 12.062 1.00 0.00 N ATOM 325 NH2 ARG A 121 -31.835 -6.299 13.922 1.00 0.00 N ATOM 0 H ARG A 121 -30.650 -2.358 14.217 1.00 0.00 H new ATOM 0 HA ARG A 121 -28.004 -3.220 13.497 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -30.577 -2.509 12.086 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -29.118 -2.603 11.120 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -28.725 -4.902 11.729 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -29.844 -4.825 13.075 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -31.018 -4.156 10.398 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -30.510 -5.821 10.596 1.00 0.00 H new ATOM 0 HE ARG A 121 -32.788 -4.525 11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -32.691 -7.416 11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -32.545 -8.274 12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -31.549 -5.433 14.378 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -31.904 -7.161 14.462 1.00 0.00 H new ATOM 339 N HIS A 122 -28.806 -0.082 12.824 1.00 0.00 N ATOM 340 CA HIS A 122 -28.207 1.242 12.483 1.00 0.00 C ATOM 341 C HIS A 122 -27.218 1.666 13.588 1.00 0.00 C ATOM 342 O HIS A 122 -26.412 2.555 13.389 1.00 0.00 O ATOM 343 CB HIS A 122 -29.343 2.275 12.346 1.00 0.00 C ATOM 344 CG HIS A 122 -28.787 3.671 12.195 1.00 0.00 C ATOM 345 ND1 HIS A 122 -28.347 4.163 10.976 1.00 0.00 N ATOM 346 CD2 HIS A 122 -28.594 4.685 13.099 1.00 0.00 C ATOM 347 CE1 HIS A 122 -27.917 5.421 11.178 1.00 0.00 C ATOM 348 NE2 HIS A 122 -28.045 5.790 12.455 1.00 0.00 N ATOM 0 H HIS A 122 -29.813 -0.069 12.989 1.00 0.00 H new ATOM 0 HA HIS A 122 -27.661 1.178 11.542 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -29.961 2.030 11.482 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -29.989 2.229 13.223 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -28.349 3.662 10.088 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -28.832 4.633 14.151 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -27.517 6.056 10.402 1.00 0.00 H new ATOM 356 N TYR A 123 -27.274 1.047 14.746 1.00 0.00 N ATOM 357 CA TYR A 123 -26.342 1.427 15.849 1.00 0.00 C ATOM 358 C TYR A 123 -25.120 0.502 15.844 1.00 0.00 C ATOM 359 O TYR A 123 -24.592 0.158 16.885 1.00 0.00 O ATOM 360 CB TYR A 123 -27.068 1.302 17.189 1.00 0.00 C ATOM 361 CG TYR A 123 -26.576 2.372 18.134 1.00 0.00 C ATOM 362 CD1 TYR A 123 -25.441 2.144 18.921 1.00 0.00 C ATOM 363 CD2 TYR A 123 -27.255 3.594 18.222 1.00 0.00 C ATOM 364 CE1 TYR A 123 -24.985 3.138 19.796 1.00 0.00 C ATOM 365 CE2 TYR A 123 -26.799 4.587 19.096 1.00 0.00 C ATOM 366 CZ TYR A 123 -25.664 4.359 19.884 1.00 0.00 C ATOM 367 OH TYR A 123 -25.215 5.338 20.747 1.00 0.00 O ATOM 0 H TYR A 123 -27.926 0.296 14.971 1.00 0.00 H new ATOM 0 HA TYR A 123 -26.012 2.455 15.702 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -28.144 1.399 17.042 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -26.893 0.315 17.618 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -24.917 1.202 18.853 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -28.131 3.770 17.615 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -24.109 2.962 20.403 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -27.322 5.529 19.163 1.00 0.00 H new ATOM 0 HH TYR A 123 -24.243 5.264 20.848 1.00 0.00 H new ATOM 377 N ARG A 124 -24.669 0.102 14.684 1.00 0.00 N ATOM 378 CA ARG A 124 -23.480 -0.797 14.606 1.00 0.00 C ATOM 379 C ARG A 124 -22.221 0.045 14.395 1.00 0.00 C ATOM 380 O ARG A 124 -21.145 -0.310 14.837 1.00 0.00 O ATOM 381 CB ARG A 124 -23.647 -1.766 13.435 1.00 0.00 C ATOM 382 CG ARG A 124 -22.555 -2.835 13.498 1.00 0.00 C ATOM 383 CD ARG A 124 -22.659 -3.744 12.272 1.00 0.00 C ATOM 384 NE ARG A 124 -22.260 -2.983 11.055 1.00 0.00 N ATOM 385 CZ ARG A 124 -21.008 -2.951 10.687 1.00 0.00 C ATOM 386 NH1 ARG A 124 -20.444 -4.023 10.199 1.00 0.00 N ATOM 387 NH2 ARG A 124 -20.321 -1.849 10.806 1.00 0.00 N ATOM 0 H ARG A 124 -25.074 0.360 13.784 1.00 0.00 H new ATOM 0 HA ARG A 124 -23.390 -1.362 15.533 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -24.631 -2.233 13.473 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -23.588 -1.225 12.490 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -21.572 -2.365 13.533 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -22.659 -3.423 14.410 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -22.016 -4.615 12.396 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -23.679 -4.113 12.165 1.00 0.00 H new ATOM 0 HE ARG A 124 -22.965 -2.487 10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -20.982 -4.885 10.106 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -19.466 -3.999 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -20.762 -1.012 11.187 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -19.343 -1.824 10.518 1.00 0.00 H new ATOM 401 N SER A 125 -22.350 1.160 13.721 1.00 0.00 N ATOM 402 CA SER A 125 -21.167 2.036 13.476 1.00 0.00 C ATOM 403 C SER A 125 -21.353 3.366 14.214 1.00 0.00 C ATOM 404 O SER A 125 -20.865 4.395 13.785 1.00 0.00 O ATOM 405 CB SER A 125 -21.032 2.300 11.976 1.00 0.00 C ATOM 406 OG SER A 125 -22.213 2.933 11.502 1.00 0.00 O ATOM 0 H SER A 125 -23.228 1.501 13.329 1.00 0.00 H new ATOM 0 HA SER A 125 -20.267 1.542 13.841 1.00 0.00 H new ATOM 0 HB2 SER A 125 -20.165 2.931 11.783 1.00 0.00 H new ATOM 0 HB3 SER A 125 -20.869 1.363 11.443 1.00 0.00 H new ATOM 0 HG SER A 125 -22.129 3.105 10.541 1.00 0.00 H new ATOM 412 N HIS A 126 -22.055 3.348 15.318 1.00 0.00 N ATOM 413 CA HIS A 126 -22.279 4.605 16.094 1.00 0.00 C ATOM 414 C HIS A 126 -21.556 4.531 17.447 1.00 0.00 C ATOM 415 O HIS A 126 -21.384 5.533 18.114 1.00 0.00 O ATOM 416 CB HIS A 126 -23.777 4.796 16.330 1.00 0.00 C ATOM 417 CG HIS A 126 -24.368 5.591 15.198 1.00 0.00 C ATOM 418 ND1 HIS A 126 -23.827 6.798 14.780 1.00 0.00 N ATOM 419 CD2 HIS A 126 -25.458 5.371 14.393 1.00 0.00 C ATOM 420 CE1 HIS A 126 -24.586 7.253 13.767 1.00 0.00 C ATOM 421 NE2 HIS A 126 -25.595 6.421 13.491 1.00 0.00 N ATOM 0 H HIS A 126 -22.484 2.513 15.717 1.00 0.00 H new ATOM 0 HA HIS A 126 -21.883 5.447 15.526 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -24.270 3.827 16.404 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -23.944 5.311 17.276 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -26.111 4.512 14.451 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -24.402 8.178 13.241 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -26.311 6.532 12.773 1.00 0.00 H new ATOM 508 N TYR A 132 -11.709 6.905 12.079 1.00 0.00 N ATOM 509 CA TYR A 132 -10.698 5.828 11.863 1.00 0.00 C ATOM 510 C TYR A 132 -11.028 4.610 12.751 1.00 0.00 C ATOM 511 O TYR A 132 -10.345 4.364 13.727 1.00 0.00 O ATOM 512 CB TYR A 132 -9.301 6.359 12.209 1.00 0.00 C ATOM 513 CG TYR A 132 -9.042 7.635 11.443 1.00 0.00 C ATOM 514 CD1 TYR A 132 -8.825 7.590 10.061 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.018 8.863 12.116 1.00 0.00 C ATOM 516 CE1 TYR A 132 -8.587 8.773 9.351 1.00 0.00 C ATOM 517 CE2 TYR A 132 -8.778 10.045 11.406 1.00 0.00 C ATOM 518 CZ TYR A 132 -8.563 10.001 10.024 1.00 0.00 C ATOM 519 OH TYR A 132 -8.326 11.166 9.324 1.00 0.00 O ATOM 0 HA TYR A 132 -10.720 5.520 10.818 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.226 6.544 13.281 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.545 5.614 11.961 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -8.841 6.643 9.542 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.185 8.898 13.182 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.422 8.739 8.284 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -8.759 10.992 11.925 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.344 11.928 9.941 1.00 0.00 H new ATOM 529 N PRO A 133 -12.063 3.869 12.393 1.00 0.00 N ATOM 530 CA PRO A 133 -12.469 2.675 13.156 1.00 0.00 C ATOM 531 C PRO A 133 -11.570 1.487 12.793 1.00 0.00 C ATOM 532 O PRO A 133 -11.320 1.222 11.632 1.00 0.00 O ATOM 533 CB PRO A 133 -13.908 2.422 12.698 1.00 0.00 C ATOM 534 CG PRO A 133 -14.052 3.101 11.315 1.00 0.00 C ATOM 535 CD PRO A 133 -12.926 4.146 11.216 1.00 0.00 C ATOM 0 HA PRO A 133 -12.389 2.808 14.235 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.111 1.353 12.629 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.621 2.837 13.410 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -13.971 2.367 10.513 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.029 3.574 11.216 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.371 4.045 10.283 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.322 5.161 11.243 1.00 0.00 H new ATOM 543 N CYS A 134 -11.086 0.769 13.776 1.00 0.00 N ATOM 544 CA CYS A 134 -10.205 -0.403 13.493 1.00 0.00 C ATOM 545 C CYS A 134 -11.048 -1.538 12.901 1.00 0.00 C ATOM 546 O CYS A 134 -12.033 -1.956 13.480 1.00 0.00 O ATOM 547 CB CYS A 134 -9.544 -0.869 14.795 1.00 0.00 C ATOM 548 SG CYS A 134 -8.386 -2.223 14.458 1.00 0.00 S ATOM 0 H CYS A 134 -11.264 0.946 14.765 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.431 -0.119 12.780 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.017 -0.037 15.262 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.306 -1.199 15.501 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.438 -3.090 15.425 1.00 0.00 H new ATOM 553 N GLY A 135 -10.666 -2.034 11.751 1.00 0.00 N ATOM 554 CA GLY A 135 -11.437 -3.142 11.112 1.00 0.00 C ATOM 555 C GLY A 135 -10.748 -4.475 11.401 1.00 0.00 C ATOM 556 O GLY A 135 -10.791 -5.392 10.602 1.00 0.00 O ATOM 0 H GLY A 135 -9.851 -1.718 11.226 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.457 -3.157 11.495 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.503 -2.980 10.036 1.00 0.00 H new ATOM 560 N LEU A 136 -10.112 -4.586 12.538 1.00 0.00 N ATOM 561 CA LEU A 136 -9.411 -5.857 12.892 1.00 0.00 C ATOM 562 C LEU A 136 -9.919 -6.356 14.247 1.00 0.00 C ATOM 563 O LEU A 136 -10.156 -7.535 14.436 1.00 0.00 O ATOM 564 CB LEU A 136 -7.896 -5.612 12.976 1.00 0.00 C ATOM 565 CG LEU A 136 -7.422 -4.786 11.772 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.925 -4.504 11.903 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.681 -5.565 10.478 1.00 0.00 C ATOM 0 H LEU A 136 -10.047 -3.848 13.240 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.613 -6.604 12.124 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.656 -5.089 13.902 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.368 -6.565 13.002 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.970 -3.844 11.744 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.589 -3.918 11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.739 -3.947 12.821 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.379 -5.447 11.934 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.344 -4.976 9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.136 -6.509 10.506 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.748 -5.765 10.381 1.00 0.00 H new ATOM 579 N CYS A 137 -10.086 -5.464 15.189 1.00 0.00 N ATOM 580 CA CYS A 137 -10.578 -5.868 16.541 1.00 0.00 C ATOM 581 C CYS A 137 -11.933 -5.210 16.846 1.00 0.00 C ATOM 582 O CYS A 137 -12.523 -5.452 17.880 1.00 0.00 O ATOM 583 CB CYS A 137 -9.556 -5.430 17.588 1.00 0.00 C ATOM 584 SG CYS A 137 -9.265 -3.645 17.464 1.00 0.00 S ATOM 0 H CYS A 137 -9.902 -4.467 15.079 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.706 -6.950 16.564 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.916 -5.679 18.586 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.620 -5.970 17.443 1.00 0.00 H new ATOM 0 HG CYS A 137 -8.009 -3.427 17.211 1.00 0.00 H new ATOM 589 N ASN A 138 -12.419 -4.372 15.962 1.00 0.00 N ATOM 590 CA ASN A 138 -13.731 -3.676 16.185 1.00 0.00 C ATOM 591 C ASN A 138 -13.553 -2.591 17.248 1.00 0.00 C ATOM 592 O ASN A 138 -14.393 -2.405 18.110 1.00 0.00 O ATOM 593 CB ASN A 138 -14.811 -4.673 16.633 1.00 0.00 C ATOM 594 CG ASN A 138 -16.187 -4.163 16.204 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.340 -3.628 15.125 1.00 0.00 O ATOM 596 ND2 ASN A 138 -17.203 -4.307 17.010 1.00 0.00 N ATOM 0 H ASN A 138 -11.958 -4.136 15.083 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.053 -3.225 15.246 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.621 -5.652 16.194 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.779 -4.798 17.715 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -18.125 -3.970 16.733 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -17.075 -4.756 17.917 1.00 0.00 H new ATOM 603 N ARG A 139 -12.465 -1.867 17.183 1.00 0.00 N ATOM 604 CA ARG A 139 -12.214 -0.779 18.173 1.00 0.00 C ATOM 605 C ARG A 139 -12.582 0.566 17.542 1.00 0.00 C ATOM 606 O ARG A 139 -13.128 0.618 16.456 1.00 0.00 O ATOM 607 CB ARG A 139 -10.733 -0.777 18.560 1.00 0.00 C ATOM 608 CG ARG A 139 -10.519 -1.691 19.768 1.00 0.00 C ATOM 609 CD ARG A 139 -10.568 -0.861 21.052 1.00 0.00 C ATOM 610 NE ARG A 139 -9.752 -1.528 22.105 1.00 0.00 N ATOM 611 CZ ARG A 139 -8.751 -0.893 22.652 1.00 0.00 C ATOM 612 NH1 ARG A 139 -7.718 -0.560 21.929 1.00 0.00 N ATOM 613 NH2 ARG A 139 -8.784 -0.593 23.921 1.00 0.00 N ATOM 0 H ARG A 139 -11.735 -1.985 16.481 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.819 -0.943 19.064 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.127 -1.118 17.721 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.409 0.237 18.796 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.287 -2.464 19.793 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.558 -2.199 19.687 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -10.188 0.143 20.864 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -11.599 -0.753 21.389 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.975 -2.479 22.398 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.693 -0.796 20.937 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -6.936 -0.064 22.356 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -9.592 -0.855 24.486 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.002 -0.097 24.348 1.00 0.00 H new ATOM 627 N ALA A 140 -12.289 1.652 18.213 1.00 0.00 N ATOM 628 CA ALA A 140 -12.623 2.994 17.651 1.00 0.00 C ATOM 629 C ALA A 140 -11.508 3.989 17.981 1.00 0.00 C ATOM 630 O ALA A 140 -11.105 4.127 19.120 1.00 0.00 O ATOM 631 CB ALA A 140 -13.939 3.485 18.256 1.00 0.00 C ATOM 0 H ALA A 140 -11.833 1.666 19.125 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.724 2.915 16.569 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.184 4.465 17.847 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.735 2.781 18.015 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.836 3.559 19.339 1.00 0.00 H new ATOM 637 N PHE A 141 -11.016 4.688 16.989 1.00 0.00 N ATOM 638 CA PHE A 141 -9.933 5.688 17.229 1.00 0.00 C ATOM 639 C PHE A 141 -10.290 6.995 16.518 1.00 0.00 C ATOM 640 O PHE A 141 -10.715 6.991 15.379 1.00 0.00 O ATOM 641 CB PHE A 141 -8.609 5.159 16.675 1.00 0.00 C ATOM 642 CG PHE A 141 -8.280 3.837 17.324 1.00 0.00 C ATOM 643 CD1 PHE A 141 -8.886 2.664 16.860 1.00 0.00 C ATOM 644 CD2 PHE A 141 -7.370 3.783 18.386 1.00 0.00 C ATOM 645 CE1 PHE A 141 -8.581 1.437 17.458 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.066 2.555 18.984 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.671 1.382 18.519 1.00 0.00 C ATOM 0 H PHE A 141 -11.320 4.608 16.019 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.832 5.863 18.300 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.678 5.037 15.594 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.811 5.877 16.865 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.589 2.706 16.041 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.903 4.689 18.744 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.048 0.531 17.100 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.365 2.513 19.804 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.435 0.434 18.979 1.00 0.00 H new ATOM 657 N THR A 142 -10.124 8.110 17.184 1.00 0.00 N ATOM 658 CA THR A 142 -10.456 9.420 16.549 1.00 0.00 C ATOM 659 C THR A 142 -9.246 9.940 15.767 1.00 0.00 C ATOM 660 O THR A 142 -9.389 10.694 14.823 1.00 0.00 O ATOM 661 CB THR A 142 -10.842 10.431 17.630 1.00 0.00 C ATOM 662 OG1 THR A 142 -11.036 11.707 17.035 1.00 0.00 O ATOM 663 CG2 THR A 142 -9.730 10.517 18.674 1.00 0.00 C ATOM 0 H THR A 142 -9.773 8.169 18.140 1.00 0.00 H new ATOM 0 HA THR A 142 -11.293 9.284 15.864 1.00 0.00 H new ATOM 0 HB THR A 142 -11.765 10.110 18.113 1.00 0.00 H new ATOM 0 HG1 THR A 142 -11.285 12.356 17.726 1.00 0.00 H new ATOM 0 HG21 THR A 142 -10.008 11.238 19.443 1.00 0.00 H new ATOM 0 HG22 THR A 142 -9.583 9.538 19.131 1.00 0.00 H new ATOM 0 HG23 THR A 142 -8.805 10.836 18.195 1.00 0.00 H new ATOM 671 N ARG A 143 -8.057 9.545 16.151 1.00 0.00 N ATOM 672 CA ARG A 143 -6.838 10.017 15.430 1.00 0.00 C ATOM 673 C ARG A 143 -6.390 8.948 14.430 1.00 0.00 C ATOM 674 O ARG A 143 -6.360 7.772 14.739 1.00 0.00 O ATOM 675 CB ARG A 143 -5.717 10.275 16.439 1.00 0.00 C ATOM 676 CG ARG A 143 -6.175 11.325 17.457 1.00 0.00 C ATOM 677 CD ARG A 143 -4.990 12.208 17.867 1.00 0.00 C ATOM 678 NE ARG A 143 -5.316 13.636 17.585 1.00 0.00 N ATOM 679 CZ ARG A 143 -5.517 14.032 16.358 1.00 0.00 C ATOM 680 NH1 ARG A 143 -4.605 13.820 15.448 1.00 0.00 N ATOM 681 NH2 ARG A 143 -6.628 14.638 16.040 1.00 0.00 N ATOM 0 H ARG A 143 -7.880 8.915 16.934 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.066 10.940 14.896 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.453 9.349 16.950 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.821 10.620 15.923 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.966 11.940 17.027 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.594 10.834 18.335 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.773 12.075 18.927 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.095 11.913 17.319 1.00 0.00 H new ATOM 0 HE ARG A 143 -5.382 14.304 18.353 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -3.737 13.345 15.697 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -4.761 14.129 14.488 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -7.341 14.803 16.751 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -6.784 14.947 15.081 1.00 0.00 H new ATOM 695 N ARG A 144 -6.043 9.352 13.235 1.00 0.00 N ATOM 696 CA ARG A 144 -5.593 8.370 12.206 1.00 0.00 C ATOM 697 C ARG A 144 -4.281 7.724 12.656 1.00 0.00 C ATOM 698 O ARG A 144 -4.082 6.534 12.505 1.00 0.00 O ATOM 699 CB ARG A 144 -5.373 9.094 10.875 1.00 0.00 C ATOM 700 CG ARG A 144 -5.363 8.077 9.733 1.00 0.00 C ATOM 701 CD ARG A 144 -5.050 8.790 8.417 1.00 0.00 C ATOM 702 NE ARG A 144 -5.709 8.069 7.292 1.00 0.00 N ATOM 703 CZ ARG A 144 -5.597 8.521 6.073 1.00 0.00 C ATOM 704 NH1 ARG A 144 -4.432 8.530 5.485 1.00 0.00 N ATOM 705 NH2 ARG A 144 -6.650 8.962 5.441 1.00 0.00 N ATOM 0 H ARG A 144 -6.052 10.324 12.927 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.354 7.599 12.081 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.162 9.829 10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.430 9.640 10.898 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.619 7.305 9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.330 7.578 9.668 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.401 9.821 8.457 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -3.972 8.826 8.258 1.00 0.00 H new ATOM 0 HE ARG A 144 -6.248 7.222 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -3.609 8.184 5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -4.344 8.883 4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -7.561 8.953 5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -6.562 9.315 4.488 1.00 0.00 H new ATOM 719 N ASP A 145 -3.387 8.504 13.209 1.00 0.00 N ATOM 720 CA ASP A 145 -2.082 7.947 13.676 1.00 0.00 C ATOM 721 C ASP A 145 -2.324 6.902 14.770 1.00 0.00 C ATOM 722 O ASP A 145 -1.521 6.011 14.973 1.00 0.00 O ATOM 723 CB ASP A 145 -1.217 9.078 14.237 1.00 0.00 C ATOM 724 CG ASP A 145 -1.997 9.832 15.316 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.090 9.320 16.419 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.489 10.908 15.018 1.00 0.00 O ATOM 0 H ASP A 145 -3.506 9.506 13.357 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.572 7.477 12.836 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.296 8.672 14.656 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.929 9.761 13.437 1.00 0.00 H new ATOM 731 N LEU A 146 -3.425 7.004 15.476 1.00 0.00 N ATOM 732 CA LEU A 146 -3.722 6.019 16.557 1.00 0.00 C ATOM 733 C LEU A 146 -4.030 4.652 15.945 1.00 0.00 C ATOM 734 O LEU A 146 -3.459 3.650 16.329 1.00 0.00 O ATOM 735 CB LEU A 146 -4.930 6.498 17.363 1.00 0.00 C ATOM 736 CG LEU A 146 -4.455 7.352 18.539 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.665 7.950 19.259 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.663 6.477 19.515 1.00 0.00 C ATOM 0 H LEU A 146 -4.130 7.730 15.348 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.854 5.932 17.211 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.598 7.077 16.726 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.499 5.643 17.728 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.819 8.156 18.170 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.325 8.559 20.097 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -6.231 8.572 18.565 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.302 7.147 19.629 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.323 7.084 20.354 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.301 5.673 19.883 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.800 6.050 19.003 1.00 0.00 H new ATOM 750 N LEU A 147 -4.936 4.604 15.001 1.00 0.00 N ATOM 751 CA LEU A 147 -5.296 3.302 14.361 1.00 0.00 C ATOM 752 C LEU A 147 -4.061 2.691 13.687 1.00 0.00 C ATOM 753 O LEU A 147 -3.867 1.490 13.712 1.00 0.00 O ATOM 754 CB LEU A 147 -6.385 3.536 13.312 1.00 0.00 C ATOM 755 CG LEU A 147 -7.226 2.265 13.147 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.415 2.549 12.218 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.359 1.154 12.548 1.00 0.00 C ATOM 0 H LEU A 147 -5.444 5.414 14.645 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.662 2.616 15.125 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.021 4.368 13.614 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.932 3.810 12.359 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.599 1.949 14.121 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.011 1.644 12.103 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.033 3.338 12.648 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.047 2.868 11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.956 0.250 12.430 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.984 1.470 11.575 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.519 0.950 13.212 1.00 0.00 H new ATOM 769 N ILE A 148 -3.227 3.506 13.088 1.00 0.00 N ATOM 770 CA ILE A 148 -2.006 2.970 12.413 1.00 0.00 C ATOM 771 C ILE A 148 -1.095 2.323 13.459 1.00 0.00 C ATOM 772 O ILE A 148 -0.527 1.272 13.234 1.00 0.00 O ATOM 773 CB ILE A 148 -1.258 4.110 11.712 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.196 4.798 10.716 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.049 3.546 10.960 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.596 6.140 10.293 1.00 0.00 C ATOM 0 H ILE A 148 -3.340 4.519 13.038 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.297 2.226 11.671 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.920 4.831 12.456 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.345 4.163 9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.175 4.952 11.169 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.481 4.358 10.462 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.621 3.054 11.665 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.387 2.824 10.216 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.264 6.630 9.584 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.469 6.775 11.170 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.627 5.973 9.823 1.00 0.00 H new ATOM 788 N ARG A 149 -0.957 2.945 14.601 1.00 0.00 N ATOM 789 CA ARG A 149 -0.090 2.377 15.675 1.00 0.00 C ATOM 790 C ARG A 149 -0.744 1.112 16.250 1.00 0.00 C ATOM 791 O ARG A 149 -0.074 0.251 16.786 1.00 0.00 O ATOM 792 CB ARG A 149 0.081 3.418 16.787 1.00 0.00 C ATOM 793 CG ARG A 149 1.034 2.882 17.865 1.00 0.00 C ATOM 794 CD ARG A 149 0.230 2.396 19.078 1.00 0.00 C ATOM 795 NE ARG A 149 0.538 3.259 20.253 1.00 0.00 N ATOM 796 CZ ARG A 149 0.847 2.717 21.399 1.00 0.00 C ATOM 797 NH1 ARG A 149 -0.082 2.162 22.129 1.00 0.00 N ATOM 798 NH2 ARG A 149 2.083 2.730 21.815 1.00 0.00 N ATOM 0 H ARG A 149 -1.411 3.828 14.837 1.00 0.00 H new ATOM 0 HA ARG A 149 0.885 2.120 15.261 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.474 4.346 16.371 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.887 3.652 17.229 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.630 2.064 17.461 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.730 3.664 18.169 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.837 2.429 18.858 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.478 1.358 19.300 1.00 0.00 H new ATOM 0 HE ARG A 149 0.507 4.274 20.161 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -1.049 2.152 21.803 1.00 0.00 H new ATOM 0 HH12 ARG A 149 0.159 1.738 23.025 1.00 0.00 H new ATOM 0 HH21 ARG A 149 2.809 3.164 21.244 1.00 0.00 H new ATOM 0 HH22 ARG A 149 2.324 2.306 22.711 1.00 0.00 H new ATOM 812 N HIS A 150 -2.044 1.001 16.143 1.00 0.00 N ATOM 813 CA HIS A 150 -2.749 -0.197 16.684 1.00 0.00 C ATOM 814 C HIS A 150 -2.563 -1.375 15.713 1.00 0.00 C ATOM 815 O HIS A 150 -2.585 -2.524 16.114 1.00 0.00 O ATOM 816 CB HIS A 150 -4.243 0.146 16.845 1.00 0.00 C ATOM 817 CG HIS A 150 -5.050 -1.086 17.173 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.193 -1.559 18.467 1.00 0.00 N ATOM 819 CD2 HIS A 150 -5.759 -1.949 16.378 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.964 -2.662 18.412 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.335 -2.944 17.161 1.00 0.00 N ATOM 0 H HIS A 150 -2.649 1.693 15.701 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.339 -0.480 17.654 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.366 0.887 17.635 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.617 0.596 15.925 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -4.788 -1.147 19.308 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.856 -1.868 15.305 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.247 -3.247 19.275 1.00 0.00 H new ATOM 829 N ALA A 151 -2.392 -1.100 14.445 1.00 0.00 N ATOM 830 CA ALA A 151 -2.216 -2.204 13.454 1.00 0.00 C ATOM 831 C ALA A 151 -0.730 -2.552 13.296 1.00 0.00 C ATOM 832 O ALA A 151 -0.390 -3.630 12.846 1.00 0.00 O ATOM 833 CB ALA A 151 -2.785 -1.771 12.102 1.00 0.00 C ATOM 0 H ALA A 151 -2.367 -0.159 14.053 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.747 -3.086 13.813 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.657 -2.576 11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.846 -1.545 12.209 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.258 -0.883 11.753 1.00 0.00 H new ATOM 839 N GLN A 152 0.155 -1.653 13.650 1.00 0.00 N ATOM 840 CA GLN A 152 1.614 -1.936 13.505 1.00 0.00 C ATOM 841 C GLN A 152 2.152 -2.582 14.786 1.00 0.00 C ATOM 842 O GLN A 152 3.099 -3.346 14.752 1.00 0.00 O ATOM 843 CB GLN A 152 2.363 -0.623 13.250 1.00 0.00 C ATOM 844 CG GLN A 152 1.715 0.135 12.082 1.00 0.00 C ATOM 845 CD GLN A 152 2.643 0.109 10.864 1.00 0.00 C ATOM 846 OE1 GLN A 152 3.846 0.215 11.001 1.00 0.00 O ATOM 847 NE2 GLN A 152 2.132 -0.027 9.671 1.00 0.00 N ATOM 0 H GLN A 152 -0.071 -0.735 14.033 1.00 0.00 H new ATOM 0 HA GLN A 152 1.764 -2.618 12.668 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.347 -0.006 14.148 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.409 -0.830 13.024 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.757 -0.319 11.830 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.512 1.166 12.374 1.00 0.00 H new ATOM 0 HE21 GLN A 152 1.122 -0.116 9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 152 2.742 -0.044 8.854 1.00 0.00 H new ATOM 856 N LYS A 153 1.563 -2.275 15.914 1.00 0.00 N ATOM 857 CA LYS A 153 2.045 -2.861 17.202 1.00 0.00 C ATOM 858 C LYS A 153 1.280 -4.146 17.515 1.00 0.00 C ATOM 859 O LYS A 153 1.865 -5.172 17.808 1.00 0.00 O ATOM 860 CB LYS A 153 1.810 -1.860 18.337 1.00 0.00 C ATOM 861 CG LYS A 153 3.051 -0.990 18.522 1.00 0.00 C ATOM 862 CD LYS A 153 3.196 -0.614 19.999 1.00 0.00 C ATOM 863 CE LYS A 153 3.914 0.731 20.116 1.00 0.00 C ATOM 864 NZ LYS A 153 5.216 0.663 19.394 1.00 0.00 N ATOM 0 H LYS A 153 0.767 -1.642 15.999 1.00 0.00 H new ATOM 0 HA LYS A 153 3.108 -3.084 17.110 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.946 -1.235 18.110 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.585 -2.391 19.262 1.00 0.00 H new ATOM 0 HG2 LYS A 153 3.938 -1.526 18.184 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.971 -0.090 17.913 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.214 -0.556 20.468 1.00 0.00 H new ATOM 0 HD3 LYS A 153 3.757 -1.385 20.528 1.00 0.00 H new ATOM 0 HE2 LYS A 153 3.294 1.524 19.697 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.080 0.977 21.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.812 1.467 19.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.699 -0.227 19.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 5.047 0.702 18.369 1.00 0.00 H new ATOM 878 N ILE A 154 -0.025 -4.087 17.479 1.00 0.00 N ATOM 879 CA ILE A 154 -0.844 -5.295 17.802 1.00 0.00 C ATOM 880 C ILE A 154 -0.987 -6.175 16.558 1.00 0.00 C ATOM 881 O ILE A 154 -0.509 -7.293 16.524 1.00 0.00 O ATOM 882 CB ILE A 154 -2.246 -4.883 18.304 1.00 0.00 C ATOM 883 CG1 ILE A 154 -2.225 -3.507 19.017 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.757 -5.938 19.284 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.085 -3.439 20.045 1.00 0.00 C ATOM 0 H ILE A 154 -0.561 -3.253 17.239 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.338 -5.854 18.589 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.901 -4.806 17.436 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.103 -2.713 18.280 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -3.180 -3.336 19.515 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.746 -5.653 19.642 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.817 -6.903 18.781 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.073 -6.011 20.129 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.092 -2.464 20.532 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.223 -4.219 20.794 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -0.130 -3.586 19.540 1.00 0.00 H new ATOM 897 N HIS A 155 -1.643 -5.682 15.537 1.00 0.00 N ATOM 898 CA HIS A 155 -1.821 -6.492 14.294 1.00 0.00 C ATOM 899 C HIS A 155 -0.516 -6.534 13.483 1.00 0.00 C ATOM 900 O HIS A 155 -0.436 -7.213 12.477 1.00 0.00 O ATOM 901 CB HIS A 155 -2.929 -5.875 13.436 1.00 0.00 C ATOM 902 CG HIS A 155 -4.181 -5.728 14.259 1.00 0.00 C ATOM 903 ND1 HIS A 155 -5.002 -6.804 14.551 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.766 -4.637 14.853 1.00 0.00 C ATOM 905 CE1 HIS A 155 -6.028 -6.343 15.291 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.933 -5.028 15.504 1.00 0.00 N ATOM 0 H HIS A 155 -2.063 -4.753 15.511 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.092 -7.509 14.578 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.613 -4.902 13.060 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.124 -6.505 12.568 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.380 -3.629 14.820 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.830 -6.961 15.667 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.577 -4.437 16.030 1.00 0.00 H new