USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 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 100:sc= 1.22 USER MOD Set 1.2: A 137 CYS SG : rot -57:sc= 1.69 USER MOD Set 1.3: A 150 HIS : no HD1:sc= 1.09 K(o=-1.7,f=-16!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -5.69! C(o=-1.7!,f=-1.8!) USER MOD Set 2.1: A 106 CYS SG : rot 35:sc= -0.182 USER MOD Set 2.2: A 109 CYS SG : rot 160:sc= -0.127 USER MOD Set 2.3: A 122 HIS : no HD1:sc= 1.66 K(o=0.25,f=-18!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -1.11! C(o=0.25!,f=-13!) USER MOD Single : A 110 THR OG1 : rot 12:sc= 0.565 USER MOD Single : A 116 GLN : amide:sc= -0.259 K(o=-0.26,f=-0.99) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 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 X(o=0,f=-0.082) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.079) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -39.358 11.895 9.449 1.00 0.00 N ATOM 37 CA PHE A 104 -38.160 11.023 9.287 1.00 0.00 C ATOM 38 C PHE A 104 -37.203 11.253 10.459 1.00 0.00 C ATOM 39 O PHE A 104 -36.043 11.580 10.285 1.00 0.00 O ATOM 40 CB PHE A 104 -37.453 11.359 7.977 1.00 0.00 C ATOM 41 CG PHE A 104 -38.316 10.939 6.811 1.00 0.00 C ATOM 42 CD1 PHE A 104 -39.292 11.812 6.313 1.00 0.00 C ATOM 43 CD2 PHE A 104 -38.139 9.679 6.226 1.00 0.00 C ATOM 44 CE1 PHE A 104 -40.091 11.423 5.231 1.00 0.00 C ATOM 45 CE2 PHE A 104 -38.938 9.292 5.144 1.00 0.00 C ATOM 46 CZ PHE A 104 -39.914 10.163 4.647 1.00 0.00 C ATOM 0 HA PHE A 104 -38.471 9.979 9.269 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -37.251 12.429 7.926 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -36.490 10.850 7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -39.428 12.784 6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -37.386 9.006 6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -40.844 12.095 4.847 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -38.801 8.321 4.692 1.00 0.00 H new ATOM 0 HZ PHE A 104 -40.531 9.863 3.813 1.00 0.00 H new ATOM 56 N VAL A 105 -37.690 11.078 11.652 1.00 0.00 N ATOM 57 CA VAL A 105 -36.839 11.274 12.863 1.00 0.00 C ATOM 58 C VAL A 105 -35.705 10.238 12.848 1.00 0.00 C ATOM 59 O VAL A 105 -35.929 9.059 12.649 1.00 0.00 O ATOM 60 CB VAL A 105 -37.710 11.116 14.127 1.00 0.00 C ATOM 61 CG1 VAL A 105 -38.538 9.829 14.032 1.00 0.00 C ATOM 62 CG2 VAL A 105 -36.835 11.070 15.392 1.00 0.00 C ATOM 0 H VAL A 105 -38.653 10.804 11.846 1.00 0.00 H new ATOM 0 HA VAL A 105 -36.403 12.273 12.865 1.00 0.00 H new ATOM 0 HB VAL A 105 -38.376 11.977 14.193 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -39.151 9.724 14.927 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -39.183 9.875 13.155 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -37.870 8.972 13.946 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -37.471 10.958 16.270 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -36.150 10.224 15.330 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -36.264 11.995 15.473 1.00 0.00 H new ATOM 72 N CYS A 106 -34.494 10.681 13.063 1.00 0.00 N ATOM 73 CA CYS A 106 -33.336 9.742 13.070 1.00 0.00 C ATOM 74 C CYS A 106 -33.490 8.761 14.233 1.00 0.00 C ATOM 75 O CYS A 106 -34.055 9.088 15.259 1.00 0.00 O ATOM 76 CB CYS A 106 -32.039 10.537 13.238 1.00 0.00 C ATOM 77 SG CYS A 106 -30.620 9.431 13.037 1.00 0.00 S ATOM 0 H CYS A 106 -34.257 11.658 13.235 1.00 0.00 H new ATOM 0 HA CYS A 106 -33.303 9.191 12.130 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -31.995 11.340 12.502 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -32.012 11.005 14.222 1.00 0.00 H new ATOM 0 HG CYS A 106 -30.899 8.524 12.149 1.00 0.00 H new ATOM 82 N GLU A 107 -32.992 7.560 14.077 1.00 0.00 N ATOM 83 CA GLU A 107 -33.106 6.547 15.169 1.00 0.00 C ATOM 84 C GLU A 107 -31.878 6.610 16.088 1.00 0.00 C ATOM 85 O GLU A 107 -31.549 5.643 16.748 1.00 0.00 O ATOM 86 CB GLU A 107 -33.205 5.150 14.554 1.00 0.00 C ATOM 87 CG GLU A 107 -34.467 5.059 13.694 1.00 0.00 C ATOM 88 CD GLU A 107 -34.552 3.671 13.056 1.00 0.00 C ATOM 89 OE1 GLU A 107 -35.103 2.785 13.688 1.00 0.00 O ATOM 90 OE2 GLU A 107 -34.066 3.519 11.948 1.00 0.00 O ATOM 0 H GLU A 107 -32.510 7.237 13.238 1.00 0.00 H new ATOM 0 HA GLU A 107 -33.999 6.761 15.757 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -32.323 4.945 13.947 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -33.233 4.396 15.341 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -35.350 5.244 14.305 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -34.448 5.826 12.920 1.00 0.00 H new ATOM 97 N VAL A 108 -31.197 7.731 16.137 1.00 0.00 N ATOM 98 CA VAL A 108 -29.994 7.838 17.012 1.00 0.00 C ATOM 99 C VAL A 108 -30.090 9.099 17.872 1.00 0.00 C ATOM 100 O VAL A 108 -29.901 9.053 19.074 1.00 0.00 O ATOM 101 CB VAL A 108 -28.735 7.905 16.145 1.00 0.00 C ATOM 102 CG1 VAL A 108 -27.494 7.856 17.036 1.00 0.00 C ATOM 103 CG2 VAL A 108 -28.716 6.716 15.181 1.00 0.00 C ATOM 0 H VAL A 108 -31.425 8.573 15.608 1.00 0.00 H new ATOM 0 HA VAL A 108 -29.943 6.964 17.661 1.00 0.00 H new ATOM 0 HB VAL A 108 -28.737 8.836 15.578 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -26.599 7.904 16.416 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -27.505 8.702 17.723 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -27.492 6.927 17.606 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -27.819 6.763 14.563 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -28.716 5.786 15.750 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -29.599 6.751 14.543 1.00 0.00 H new ATOM 113 N CYS A 109 -30.379 10.223 17.268 1.00 0.00 N ATOM 114 CA CYS A 109 -30.485 11.489 18.053 1.00 0.00 C ATOM 115 C CYS A 109 -31.938 11.980 18.090 1.00 0.00 C ATOM 116 O CYS A 109 -32.199 13.107 18.463 1.00 0.00 O ATOM 117 CB CYS A 109 -29.597 12.564 17.414 1.00 0.00 C ATOM 118 SG CYS A 109 -30.050 12.782 15.673 1.00 0.00 S ATOM 0 H CYS A 109 -30.546 10.319 16.266 1.00 0.00 H new ATOM 0 HA CYS A 109 -30.155 11.296 19.074 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -29.710 13.507 17.949 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -28.549 12.276 17.493 1.00 0.00 H new ATOM 0 HG CYS A 109 -29.624 13.937 15.255 1.00 0.00 H new ATOM 123 N THR A 110 -32.888 11.148 17.708 1.00 0.00 N ATOM 124 CA THR A 110 -34.334 11.560 17.722 1.00 0.00 C ATOM 125 C THR A 110 -34.512 12.930 17.046 1.00 0.00 C ATOM 126 O THR A 110 -35.116 13.834 17.596 1.00 0.00 O ATOM 127 CB THR A 110 -34.852 11.617 19.168 1.00 0.00 C ATOM 128 OG1 THR A 110 -34.119 12.585 19.912 1.00 0.00 O ATOM 129 CG2 THR A 110 -34.707 10.236 19.817 1.00 0.00 C ATOM 0 H THR A 110 -32.720 10.195 17.385 1.00 0.00 H new ATOM 0 HA THR A 110 -34.910 10.820 17.166 1.00 0.00 H new ATOM 0 HB THR A 110 -35.904 11.904 19.162 1.00 0.00 H new ATOM 0 HG1 THR A 110 -33.588 13.136 19.299 1.00 0.00 H new ATOM 0 HG21 THR A 110 -35.074 10.276 20.843 1.00 0.00 H new ATOM 0 HG22 THR A 110 -35.286 9.506 19.252 1.00 0.00 H new ATOM 0 HG23 THR A 110 -33.657 9.943 19.819 1.00 0.00 H new ATOM 137 N ARG A 111 -33.981 13.086 15.860 1.00 0.00 N ATOM 138 CA ARG A 111 -34.103 14.389 15.141 1.00 0.00 C ATOM 139 C ARG A 111 -35.449 14.452 14.416 1.00 0.00 C ATOM 140 O ARG A 111 -36.335 13.658 14.668 1.00 0.00 O ATOM 141 CB ARG A 111 -32.964 14.518 14.124 1.00 0.00 C ATOM 142 CG ARG A 111 -32.463 15.964 14.092 1.00 0.00 C ATOM 143 CD ARG A 111 -31.333 16.137 15.107 1.00 0.00 C ATOM 144 NE ARG A 111 -31.348 17.532 15.634 1.00 0.00 N ATOM 145 CZ ARG A 111 -30.763 17.808 16.767 1.00 0.00 C ATOM 146 NH1 ARG A 111 -31.378 17.577 17.894 1.00 0.00 N ATOM 147 NH2 ARG A 111 -29.560 18.315 16.773 1.00 0.00 N ATOM 0 H ARG A 111 -33.466 12.363 15.357 1.00 0.00 H new ATOM 0 HA ARG A 111 -34.043 15.207 15.859 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -32.148 13.846 14.390 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -33.312 14.221 13.134 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -32.109 16.215 13.092 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -33.280 16.648 14.322 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -31.452 15.426 15.925 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -30.372 15.924 14.638 1.00 0.00 H new ATOM 0 HE ARG A 111 -31.816 18.271 15.109 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -32.318 17.180 17.890 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -30.919 17.793 18.779 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -29.078 18.495 15.892 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -29.102 18.531 17.658 1.00 0.00 H new ATOM 161 N ALA A 112 -35.608 15.392 13.520 1.00 0.00 N ATOM 162 CA ALA A 112 -36.895 15.511 12.775 1.00 0.00 C ATOM 163 C ALA A 112 -36.635 16.094 11.386 1.00 0.00 C ATOM 164 O ALA A 112 -36.596 17.297 11.205 1.00 0.00 O ATOM 165 CB ALA A 112 -37.845 16.431 13.542 1.00 0.00 C ATOM 0 H ALA A 112 -34.900 16.083 13.272 1.00 0.00 H new ATOM 0 HA ALA A 112 -37.345 14.523 12.674 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -38.785 16.518 12.998 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -38.035 16.014 14.531 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -37.392 17.417 13.645 1.00 0.00 H new ATOM 171 N PHE A 113 -36.465 15.248 10.404 1.00 0.00 N ATOM 172 CA PHE A 113 -36.214 15.739 9.016 1.00 0.00 C ATOM 173 C PHE A 113 -37.456 15.479 8.162 1.00 0.00 C ATOM 174 O PHE A 113 -38.322 14.710 8.534 1.00 0.00 O ATOM 175 CB PHE A 113 -35.018 14.998 8.415 1.00 0.00 C ATOM 176 CG PHE A 113 -33.766 15.351 9.183 1.00 0.00 C ATOM 177 CD1 PHE A 113 -33.030 16.491 8.835 1.00 0.00 C ATOM 178 CD2 PHE A 113 -33.342 14.540 10.242 1.00 0.00 C ATOM 179 CE1 PHE A 113 -31.869 16.817 9.547 1.00 0.00 C ATOM 180 CE2 PHE A 113 -32.181 14.866 10.953 1.00 0.00 C ATOM 181 CZ PHE A 113 -31.445 16.006 10.605 1.00 0.00 C ATOM 0 H PHE A 113 -36.489 14.233 10.504 1.00 0.00 H new ATOM 0 HA PHE A 113 -35.998 16.807 9.040 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -35.188 13.922 8.452 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -34.901 15.267 7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -33.358 17.118 8.019 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -33.911 13.662 10.511 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -31.300 17.695 9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -31.853 14.239 11.769 1.00 0.00 H new ATOM 0 HZ PHE A 113 -30.550 16.259 11.154 1.00 0.00 H new ATOM 191 N ALA A 114 -37.550 16.118 7.024 1.00 0.00 N ATOM 192 CA ALA A 114 -38.739 15.913 6.145 1.00 0.00 C ATOM 193 C ALA A 114 -38.313 15.257 4.825 1.00 0.00 C ATOM 194 O ALA A 114 -39.108 14.619 4.162 1.00 0.00 O ATOM 195 CB ALA A 114 -39.394 17.265 5.854 1.00 0.00 C ATOM 0 H ALA A 114 -36.855 16.773 6.666 1.00 0.00 H new ATOM 0 HA ALA A 114 -39.449 15.261 6.653 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -40.263 17.118 5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -39.709 17.726 6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -38.678 17.916 5.352 1.00 0.00 H new ATOM 201 N ARG A 115 -37.069 15.411 4.438 1.00 0.00 N ATOM 202 CA ARG A 115 -36.599 14.796 3.160 1.00 0.00 C ATOM 203 C ARG A 115 -35.653 13.633 3.467 1.00 0.00 C ATOM 204 O ARG A 115 -34.787 13.733 4.316 1.00 0.00 O ATOM 205 CB ARG A 115 -35.861 15.848 2.331 1.00 0.00 C ATOM 206 CG ARG A 115 -36.798 17.023 2.043 1.00 0.00 C ATOM 207 CD ARG A 115 -37.557 16.764 0.741 1.00 0.00 C ATOM 208 NE ARG A 115 -38.592 15.717 0.969 1.00 0.00 N ATOM 209 CZ ARG A 115 -38.829 14.823 0.049 1.00 0.00 C ATOM 210 NH1 ARG A 115 -37.847 14.121 -0.447 1.00 0.00 N ATOM 211 NH2 ARG A 115 -40.048 14.631 -0.376 1.00 0.00 N ATOM 0 H ARG A 115 -36.361 15.935 4.952 1.00 0.00 H new ATOM 0 HA ARG A 115 -37.457 14.425 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -34.979 16.196 2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -35.512 15.410 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -37.501 17.152 2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -36.226 17.947 1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -38.026 17.684 0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -36.865 16.443 -0.038 1.00 0.00 H new ATOM 0 HE ARG A 115 -39.115 15.699 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -36.894 14.271 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -38.032 13.422 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -40.816 15.180 0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -40.233 13.932 -1.095 1.00 0.00 H new ATOM 225 N GLN A 116 -35.812 12.532 2.777 1.00 0.00 N ATOM 226 CA GLN A 116 -34.926 11.354 3.016 1.00 0.00 C ATOM 227 C GLN A 116 -33.519 11.656 2.493 1.00 0.00 C ATOM 228 O GLN A 116 -32.541 11.126 2.985 1.00 0.00 O ATOM 229 CB GLN A 116 -35.492 10.133 2.286 1.00 0.00 C ATOM 230 CG GLN A 116 -34.847 8.861 2.841 1.00 0.00 C ATOM 231 CD GLN A 116 -35.650 8.366 4.046 1.00 0.00 C ATOM 232 OE1 GLN A 116 -35.387 8.755 5.167 1.00 0.00 O ATOM 233 NE2 GLN A 116 -36.626 7.520 3.861 1.00 0.00 N ATOM 0 H GLN A 116 -36.521 12.399 2.056 1.00 0.00 H new ATOM 0 HA GLN A 116 -34.878 11.148 4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -36.574 10.090 2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -35.299 10.214 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -34.815 8.091 2.070 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -33.817 9.061 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -36.847 7.194 2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -37.168 7.185 4.657 1.00 0.00 H new ATOM 242 N GLU A 117 -33.410 12.502 1.499 1.00 0.00 N ATOM 243 CA GLU A 117 -32.067 12.841 0.941 1.00 0.00 C ATOM 244 C GLU A 117 -31.259 13.600 1.995 1.00 0.00 C ATOM 245 O GLU A 117 -30.103 13.303 2.236 1.00 0.00 O ATOM 246 CB GLU A 117 -32.232 13.722 -0.300 1.00 0.00 C ATOM 247 CG GLU A 117 -33.197 13.053 -1.281 1.00 0.00 C ATOM 248 CD GLU A 117 -32.909 13.549 -2.699 1.00 0.00 C ATOM 249 OE1 GLU A 117 -33.484 14.555 -3.081 1.00 0.00 O ATOM 250 OE2 GLU A 117 -32.120 12.915 -3.379 1.00 0.00 O ATOM 0 H GLU A 117 -34.195 12.973 1.050 1.00 0.00 H new ATOM 0 HA GLU A 117 -31.547 11.923 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -32.611 14.703 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -31.265 13.880 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -33.087 11.970 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -34.227 13.281 -1.007 1.00 0.00 H new ATOM 257 N HIS A 118 -31.861 14.576 2.623 1.00 0.00 N ATOM 258 CA HIS A 118 -31.141 15.365 3.666 1.00 0.00 C ATOM 259 C HIS A 118 -30.731 14.442 4.815 1.00 0.00 C ATOM 260 O HIS A 118 -29.602 14.467 5.268 1.00 0.00 O ATOM 261 CB HIS A 118 -32.063 16.463 4.201 1.00 0.00 C ATOM 262 CG HIS A 118 -32.002 17.658 3.291 1.00 0.00 C ATOM 263 ND1 HIS A 118 -32.087 18.956 3.768 1.00 0.00 N ATOM 264 CD2 HIS A 118 -31.864 17.768 1.929 1.00 0.00 C ATOM 265 CE1 HIS A 118 -32.001 19.784 2.710 1.00 0.00 C ATOM 266 NE2 HIS A 118 -31.865 19.111 1.565 1.00 0.00 N ATOM 0 H HIS A 118 -32.826 14.862 2.457 1.00 0.00 H new ATOM 0 HA HIS A 118 -30.251 15.817 3.228 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -33.086 16.094 4.265 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -31.762 16.745 5.210 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -31.769 16.938 1.244 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -32.038 20.861 2.779 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -31.780 19.498 0.625 1.00 0.00 H new ATOM 274 N LEU A 119 -31.640 13.628 5.286 1.00 0.00 N ATOM 275 CA LEU A 119 -31.320 12.699 6.402 1.00 0.00 C ATOM 276 C LEU A 119 -30.225 11.721 5.965 1.00 0.00 C ATOM 277 O LEU A 119 -29.490 11.202 6.782 1.00 0.00 O ATOM 278 CB LEU A 119 -32.580 11.913 6.778 1.00 0.00 C ATOM 279 CG LEU A 119 -32.613 11.677 8.289 1.00 0.00 C ATOM 280 CD1 LEU A 119 -33.889 10.921 8.652 1.00 0.00 C ATOM 281 CD2 LEU A 119 -31.400 10.846 8.707 1.00 0.00 C ATOM 0 H LEU A 119 -32.598 13.569 4.940 1.00 0.00 H new ATOM 0 HA LEU A 119 -30.969 13.271 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -33.469 12.463 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -32.595 10.959 6.251 1.00 0.00 H new ATOM 0 HG LEU A 119 -32.591 12.636 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -33.917 10.750 9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -34.757 11.509 8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -33.905 9.963 8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -31.427 10.680 9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -31.421 9.886 8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -30.486 11.379 8.445 1.00 0.00 H new ATOM 293 N LYS A 120 -30.116 11.460 4.684 1.00 0.00 N ATOM 294 CA LYS A 120 -29.074 10.508 4.191 1.00 0.00 C ATOM 295 C LYS A 120 -27.684 10.973 4.648 1.00 0.00 C ATOM 296 O LYS A 120 -26.843 10.175 5.016 1.00 0.00 O ATOM 297 CB LYS A 120 -29.120 10.452 2.659 1.00 0.00 C ATOM 298 CG LYS A 120 -28.998 8.998 2.188 1.00 0.00 C ATOM 299 CD LYS A 120 -28.162 8.941 0.907 1.00 0.00 C ATOM 300 CE LYS A 120 -29.013 9.396 -0.279 1.00 0.00 C ATOM 301 NZ LYS A 120 -29.728 8.223 -0.857 1.00 0.00 N ATOM 0 H LYS A 120 -30.706 11.867 3.958 1.00 0.00 H new ATOM 0 HA LYS A 120 -29.270 9.516 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -30.054 10.884 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -28.310 11.049 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -28.533 8.391 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -29.988 8.580 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -27.284 9.580 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -27.801 7.926 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -29.731 10.150 0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -28.381 9.860 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -30.307 8.532 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -29.035 7.518 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -30.342 7.799 -0.133 1.00 0.00 H new ATOM 315 N ARG A 121 -27.446 12.260 4.631 1.00 0.00 N ATOM 316 CA ARG A 121 -26.120 12.789 5.068 1.00 0.00 C ATOM 317 C ARG A 121 -26.079 12.838 6.596 1.00 0.00 C ATOM 318 O ARG A 121 -25.074 12.533 7.211 1.00 0.00 O ATOM 319 CB ARG A 121 -25.927 14.203 4.503 1.00 0.00 C ATOM 320 CG ARG A 121 -24.984 14.150 3.299 1.00 0.00 C ATOM 321 CD ARG A 121 -25.008 15.493 2.566 1.00 0.00 C ATOM 322 NE ARG A 121 -25.936 15.408 1.403 1.00 0.00 N ATOM 323 CZ ARG A 121 -26.347 16.498 0.815 1.00 0.00 C ATOM 324 NH1 ARG A 121 -25.507 17.224 0.128 1.00 0.00 N ATOM 325 NH2 ARG A 121 -27.596 16.861 0.913 1.00 0.00 N ATOM 0 H ARG A 121 -28.116 12.969 4.332 1.00 0.00 H new ATOM 0 HA ARG A 121 -25.324 12.141 4.702 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -26.889 14.621 4.206 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -25.517 14.859 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -23.970 13.923 3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -25.286 13.350 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -25.329 16.284 3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.005 15.752 2.226 1.00 0.00 H new ATOM 0 HE ARG A 121 -26.250 14.498 1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.531 16.939 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.827 18.076 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -28.252 16.293 1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.917 17.713 0.453 1.00 0.00 H new ATOM 339 N HIS A 122 -27.169 13.218 7.209 1.00 0.00 N ATOM 340 CA HIS A 122 -27.220 13.293 8.701 1.00 0.00 C ATOM 341 C HIS A 122 -26.933 11.899 9.296 1.00 0.00 C ATOM 342 O HIS A 122 -26.550 11.780 10.444 1.00 0.00 O ATOM 343 CB HIS A 122 -28.619 13.786 9.123 1.00 0.00 C ATOM 344 CG HIS A 122 -28.800 13.683 10.619 1.00 0.00 C ATOM 345 ND1 HIS A 122 -28.316 14.644 11.492 1.00 0.00 N ATOM 346 CD2 HIS A 122 -29.406 12.734 11.404 1.00 0.00 C ATOM 347 CE1 HIS A 122 -28.637 14.255 12.741 1.00 0.00 C ATOM 348 NE2 HIS A 122 -29.301 13.097 12.744 1.00 0.00 N ATOM 0 H HIS A 122 -28.034 13.482 6.737 1.00 0.00 H new ATOM 0 HA HIS A 122 -26.467 13.988 9.072 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -28.755 14.820 8.807 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -29.384 13.196 8.619 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -29.891 11.841 11.038 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -28.387 14.812 13.632 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -29.655 12.588 13.554 1.00 0.00 H new ATOM 356 N TYR A 123 -27.118 10.852 8.527 1.00 0.00 N ATOM 357 CA TYR A 123 -26.858 9.478 9.051 1.00 0.00 C ATOM 358 C TYR A 123 -25.463 9.021 8.617 1.00 0.00 C ATOM 359 O TYR A 123 -25.244 7.861 8.323 1.00 0.00 O ATOM 360 CB TYR A 123 -27.912 8.515 8.493 1.00 0.00 C ATOM 361 CG TYR A 123 -28.343 7.544 9.571 1.00 0.00 C ATOM 362 CD1 TYR A 123 -27.384 6.794 10.264 1.00 0.00 C ATOM 363 CD2 TYR A 123 -29.701 7.394 9.875 1.00 0.00 C ATOM 364 CE1 TYR A 123 -27.786 5.895 11.260 1.00 0.00 C ATOM 365 CE2 TYR A 123 -30.102 6.496 10.870 1.00 0.00 C ATOM 366 CZ TYR A 123 -29.145 5.745 11.563 1.00 0.00 C ATOM 367 OH TYR A 123 -29.540 4.860 12.545 1.00 0.00 O ATOM 0 H TYR A 123 -27.438 10.892 7.559 1.00 0.00 H new ATOM 0 HA TYR A 123 -26.912 9.485 10.140 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -28.774 9.075 8.130 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -27.505 7.970 7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -26.336 6.909 10.031 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -30.440 7.972 9.341 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -27.047 5.317 11.795 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -31.150 6.382 11.104 1.00 0.00 H new ATOM 0 HH TYR A 123 -30.516 4.879 12.629 1.00 0.00 H new ATOM 377 N ARG A 124 -24.520 9.927 8.578 1.00 0.00 N ATOM 378 CA ARG A 124 -23.134 9.557 8.166 1.00 0.00 C ATOM 379 C ARG A 124 -22.262 9.389 9.412 1.00 0.00 C ATOM 380 O ARG A 124 -21.339 8.597 9.430 1.00 0.00 O ATOM 381 CB ARG A 124 -22.552 10.661 7.281 1.00 0.00 C ATOM 382 CG ARG A 124 -21.304 10.138 6.568 1.00 0.00 C ATOM 383 CD ARG A 124 -21.704 9.510 5.232 1.00 0.00 C ATOM 384 NE ARG A 124 -21.820 10.575 4.197 1.00 0.00 N ATOM 385 CZ ARG A 124 -20.927 10.663 3.249 1.00 0.00 C ATOM 386 NH1 ARG A 124 -19.757 11.183 3.500 1.00 0.00 N ATOM 387 NH2 ARG A 124 -21.205 10.231 2.048 1.00 0.00 N ATOM 0 H ARG A 124 -24.651 10.910 8.815 1.00 0.00 H new ATOM 0 HA ARG A 124 -23.158 8.621 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -23.293 10.984 6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -22.300 11.532 7.886 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -20.599 10.953 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -20.798 9.401 7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -20.961 8.772 4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -22.653 8.984 5.335 1.00 0.00 H new ATOM 0 HE ARG A 124 -22.597 11.235 4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -19.540 11.521 4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -19.060 11.251 2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -22.120 9.825 1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -20.507 10.300 1.307 1.00 0.00 H new ATOM 401 N SER A 125 -22.552 10.130 10.451 1.00 0.00 N ATOM 402 CA SER A 125 -21.745 10.022 11.702 1.00 0.00 C ATOM 403 C SER A 125 -22.601 9.406 12.812 1.00 0.00 C ATOM 404 O SER A 125 -22.402 9.677 13.982 1.00 0.00 O ATOM 405 CB SER A 125 -21.281 11.414 12.130 1.00 0.00 C ATOM 406 OG SER A 125 -22.394 12.298 12.139 1.00 0.00 O ATOM 0 H SER A 125 -23.315 10.806 10.486 1.00 0.00 H new ATOM 0 HA SER A 125 -20.877 9.389 11.520 1.00 0.00 H new ATOM 0 HB2 SER A 125 -20.829 11.370 13.121 1.00 0.00 H new ATOM 0 HB3 SER A 125 -20.516 11.781 11.446 1.00 0.00 H new ATOM 0 HG SER A 125 -22.100 13.191 12.415 1.00 0.00 H new ATOM 412 N HIS A 126 -23.551 8.578 12.453 1.00 0.00 N ATOM 413 CA HIS A 126 -24.423 7.939 13.481 1.00 0.00 C ATOM 414 C HIS A 126 -24.010 6.476 13.661 1.00 0.00 C ATOM 415 O HIS A 126 -23.719 6.035 14.757 1.00 0.00 O ATOM 416 CB HIS A 126 -25.882 8.005 13.028 1.00 0.00 C ATOM 417 CG HIS A 126 -26.508 9.276 13.533 1.00 0.00 C ATOM 418 ND1 HIS A 126 -26.309 9.735 14.826 1.00 0.00 N ATOM 419 CD2 HIS A 126 -27.334 10.195 12.932 1.00 0.00 C ATOM 420 CE1 HIS A 126 -27.000 10.882 14.961 1.00 0.00 C ATOM 421 NE2 HIS A 126 -27.643 11.207 13.836 1.00 0.00 N ATOM 0 H HIS A 126 -23.759 8.318 11.489 1.00 0.00 H new ATOM 0 HA HIS A 126 -24.314 8.467 14.428 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -25.938 7.967 11.940 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -26.430 7.142 13.406 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -27.689 10.140 11.914 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -27.031 11.468 15.868 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -28.234 12.022 13.674 1.00 0.00 H new ATOM 508 N TYR A 132 -12.051 6.617 12.268 1.00 0.00 N ATOM 509 CA TYR A 132 -10.954 5.615 12.098 1.00 0.00 C ATOM 510 C TYR A 132 -11.295 4.321 12.866 1.00 0.00 C ATOM 511 O TYR A 132 -10.684 4.032 13.879 1.00 0.00 O ATOM 512 CB TYR A 132 -9.642 6.203 12.627 1.00 0.00 C ATOM 513 CG TYR A 132 -9.339 7.494 11.903 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.033 7.474 10.536 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.365 8.710 12.597 1.00 0.00 C ATOM 516 CE1 TYR A 132 -8.752 8.670 9.865 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.083 9.905 11.925 1.00 0.00 C ATOM 518 CZ TYR A 132 -8.776 9.885 10.559 1.00 0.00 C ATOM 519 OH TYR A 132 -8.499 11.064 9.896 1.00 0.00 O ATOM 0 HA TYR A 132 -10.845 5.377 11.040 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.719 6.384 13.699 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.828 5.493 12.481 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.014 6.536 10.000 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.603 8.726 13.650 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -8.517 8.655 8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.102 10.843 12.460 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.560 11.814 10.524 1.00 0.00 H new ATOM 529 N PRO A 133 -12.257 3.561 12.369 1.00 0.00 N ATOM 530 CA PRO A 133 -12.660 2.296 13.011 1.00 0.00 C ATOM 531 C PRO A 133 -11.680 1.177 12.637 1.00 0.00 C ATOM 532 O PRO A 133 -11.284 1.048 11.494 1.00 0.00 O ATOM 533 CB PRO A 133 -14.045 2.016 12.422 1.00 0.00 C ATOM 534 CG PRO A 133 -14.116 2.789 11.083 1.00 0.00 C ATOM 535 CD PRO A 133 -13.032 3.881 11.144 1.00 0.00 C ATOM 0 HA PRO A 133 -12.668 2.352 14.100 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.190 0.948 12.262 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.830 2.345 13.103 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -13.944 2.120 10.240 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.103 3.231 10.943 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.399 3.863 10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.473 4.876 11.201 1.00 0.00 H new ATOM 543 N CYS A 134 -11.294 0.366 13.591 1.00 0.00 N ATOM 544 CA CYS A 134 -10.345 -0.750 13.294 1.00 0.00 C ATOM 545 C CYS A 134 -11.123 -1.927 12.698 1.00 0.00 C ATOM 546 O CYS A 134 -12.143 -2.334 13.223 1.00 0.00 O ATOM 547 CB CYS A 134 -9.654 -1.192 14.586 1.00 0.00 C ATOM 548 SG CYS A 134 -8.364 -2.405 14.205 1.00 0.00 S ATOM 0 H CYS A 134 -11.596 0.429 14.563 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.592 -0.412 12.582 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.218 -0.329 15.090 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.384 -1.626 15.270 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.205 -1.817 14.195 1.00 0.00 H new ATOM 553 N GLY A 135 -10.649 -2.472 11.606 1.00 0.00 N ATOM 554 CA GLY A 135 -11.358 -3.623 10.970 1.00 0.00 C ATOM 555 C GLY A 135 -10.714 -4.939 11.409 1.00 0.00 C ATOM 556 O GLY A 135 -10.767 -5.929 10.702 1.00 0.00 O ATOM 0 H GLY A 135 -9.801 -2.169 11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.411 -3.612 11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.316 -3.532 9.885 1.00 0.00 H new ATOM 560 N LEU A 136 -10.109 -4.959 12.571 1.00 0.00 N ATOM 561 CA LEU A 136 -9.460 -6.212 13.061 1.00 0.00 C ATOM 562 C LEU A 136 -9.977 -6.534 14.466 1.00 0.00 C ATOM 563 O LEU A 136 -10.284 -7.669 14.778 1.00 0.00 O ATOM 564 CB LEU A 136 -7.936 -6.025 13.107 1.00 0.00 C ATOM 565 CG LEU A 136 -7.440 -5.394 11.799 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.932 -5.148 11.892 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.733 -6.337 10.625 1.00 0.00 C ATOM 0 H LEU A 136 -10.037 -4.160 13.201 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.700 -7.032 12.384 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.665 -5.390 13.951 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.449 -6.987 13.263 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.955 -4.447 11.637 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.579 -4.700 10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.724 -4.474 12.723 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.418 -6.095 12.056 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.379 -5.885 9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.221 -7.286 10.784 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.807 -6.511 10.557 1.00 0.00 H new ATOM 579 N CYS A 137 -10.074 -5.540 15.310 1.00 0.00 N ATOM 580 CA CYS A 137 -10.570 -5.770 16.700 1.00 0.00 C ATOM 581 C CYS A 137 -11.950 -5.120 16.894 1.00 0.00 C ATOM 582 O CYS A 137 -12.611 -5.346 17.889 1.00 0.00 O ATOM 583 CB CYS A 137 -9.576 -5.163 17.693 1.00 0.00 C ATOM 584 SG CYS A 137 -9.362 -3.394 17.357 1.00 0.00 S ATOM 0 H CYS A 137 -9.830 -4.573 15.095 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.663 -6.842 16.872 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.934 -5.307 18.712 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.616 -5.674 17.617 1.00 0.00 H new ATOM 0 HG CYS A 137 -8.964 -3.230 16.130 1.00 0.00 H new ATOM 589 N ASN A 138 -12.382 -4.305 15.957 1.00 0.00 N ATOM 590 CA ASN A 138 -13.713 -3.622 16.080 1.00 0.00 C ATOM 591 C ASN A 138 -13.623 -2.534 17.155 1.00 0.00 C ATOM 592 O ASN A 138 -14.379 -2.520 18.110 1.00 0.00 O ATOM 593 CB ASN A 138 -14.811 -4.634 16.444 1.00 0.00 C ATOM 594 CG ASN A 138 -16.147 -4.169 15.862 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.319 -4.131 14.660 1.00 0.00 O ATOM 596 ND2 ASN A 138 -17.108 -3.812 16.670 1.00 0.00 N ATOM 0 H ASN A 138 -11.865 -4.082 15.106 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.971 -3.171 15.122 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.556 -5.619 16.054 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.888 -4.730 17.527 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -18.003 -3.501 16.292 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.964 -3.844 17.679 1.00 0.00 H new ATOM 603 N ARG A 139 -12.701 -1.620 16.996 1.00 0.00 N ATOM 604 CA ARG A 139 -12.541 -0.517 17.988 1.00 0.00 C ATOM 605 C ARG A 139 -12.796 0.823 17.292 1.00 0.00 C ATOM 606 O ARG A 139 -13.217 0.864 16.152 1.00 0.00 O ATOM 607 CB ARG A 139 -11.118 -0.543 18.552 1.00 0.00 C ATOM 608 CG ARG A 139 -11.079 -1.429 19.798 1.00 0.00 C ATOM 609 CD ARG A 139 -9.865 -1.059 20.652 1.00 0.00 C ATOM 610 NE ARG A 139 -9.863 -1.878 21.896 1.00 0.00 N ATOM 611 CZ ARG A 139 -9.613 -1.315 23.048 1.00 0.00 C ATOM 612 NH1 ARG A 139 -10.369 -0.342 23.475 1.00 0.00 N ATOM 613 NH2 ARG A 139 -8.608 -1.726 23.771 1.00 0.00 N ATOM 0 H ARG A 139 -12.047 -1.591 16.214 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.253 -0.646 18.803 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.425 -0.922 17.801 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.796 0.468 18.801 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.995 -1.303 20.375 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.027 -2.479 19.509 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.947 -1.230 20.090 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.893 0.001 20.902 1.00 0.00 H new ATOM 0 HE ARG A 139 -10.057 -2.878 21.848 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.155 -0.021 22.910 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.174 0.098 24.374 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -8.017 -2.487 23.437 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.413 -1.286 24.670 1.00 0.00 H new ATOM 627 N ALA A 140 -12.549 1.918 17.969 1.00 0.00 N ATOM 628 CA ALA A 140 -12.783 3.254 17.346 1.00 0.00 C ATOM 629 C ALA A 140 -11.683 4.230 17.774 1.00 0.00 C ATOM 630 O ALA A 140 -11.366 4.345 18.943 1.00 0.00 O ATOM 631 CB ALA A 140 -14.145 3.789 17.793 1.00 0.00 C ATOM 0 H ALA A 140 -12.196 1.942 18.926 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.766 3.153 16.261 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.319 4.765 17.340 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.928 3.098 17.480 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.160 3.885 18.879 1.00 0.00 H new ATOM 637 N PHE A 141 -11.107 4.936 16.834 1.00 0.00 N ATOM 638 CA PHE A 141 -10.029 5.914 17.171 1.00 0.00 C ATOM 639 C PHE A 141 -10.369 7.273 16.557 1.00 0.00 C ATOM 640 O PHE A 141 -11.075 7.358 15.570 1.00 0.00 O ATOM 641 CB PHE A 141 -8.694 5.424 16.608 1.00 0.00 C ATOM 642 CG PHE A 141 -8.366 4.070 17.188 1.00 0.00 C ATOM 643 CD1 PHE A 141 -8.899 2.913 16.609 1.00 0.00 C ATOM 644 CD2 PHE A 141 -7.528 3.971 18.306 1.00 0.00 C ATOM 645 CE1 PHE A 141 -8.594 1.657 17.146 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.225 2.715 18.843 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.757 1.558 18.262 1.00 0.00 C ATOM 0 H PHE A 141 -11.339 4.876 15.842 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.952 6.008 18.254 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.747 5.362 15.521 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.904 6.135 16.848 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.546 2.989 15.748 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.116 4.864 18.753 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.005 0.764 16.698 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.580 2.638 19.706 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.521 0.589 18.676 1.00 0.00 H new ATOM 657 N THR A 142 -9.871 8.338 17.134 1.00 0.00 N ATOM 658 CA THR A 142 -10.163 9.697 16.589 1.00 0.00 C ATOM 659 C THR A 142 -8.944 10.223 15.827 1.00 0.00 C ATOM 660 O THR A 142 -9.072 11.012 14.909 1.00 0.00 O ATOM 661 CB THR A 142 -10.493 10.653 17.740 1.00 0.00 C ATOM 662 OG1 THR A 142 -9.498 10.544 18.751 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.864 10.302 18.321 1.00 0.00 C ATOM 0 H THR A 142 -9.274 8.324 17.961 1.00 0.00 H new ATOM 0 HA THR A 142 -11.014 9.634 15.911 1.00 0.00 H new ATOM 0 HB THR A 142 -10.513 11.677 17.367 1.00 0.00 H new ATOM 0 HG1 THR A 142 -9.709 11.157 19.486 1.00 0.00 H new ATOM 0 HG21 THR A 142 -12.097 10.983 19.140 1.00 0.00 H new ATOM 0 HG22 THR A 142 -12.623 10.395 17.544 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.850 9.278 18.694 1.00 0.00 H new ATOM 671 N ARG A 143 -7.765 9.794 16.201 1.00 0.00 N ATOM 672 CA ARG A 143 -6.533 10.270 15.502 1.00 0.00 C ATOM 673 C ARG A 143 -6.055 9.198 14.521 1.00 0.00 C ATOM 674 O ARG A 143 -6.102 8.017 14.809 1.00 0.00 O ATOM 675 CB ARG A 143 -5.436 10.546 16.534 1.00 0.00 C ATOM 676 CG ARG A 143 -5.973 11.486 17.615 1.00 0.00 C ATOM 677 CD ARG A 143 -4.847 12.398 18.105 1.00 0.00 C ATOM 678 NE ARG A 143 -4.816 13.636 17.277 1.00 0.00 N ATOM 679 CZ ARG A 143 -5.377 14.730 17.717 1.00 0.00 C ATOM 680 NH1 ARG A 143 -6.664 14.766 17.926 1.00 0.00 N ATOM 681 NH2 ARG A 143 -4.648 15.788 17.948 1.00 0.00 N ATOM 0 H ARG A 143 -7.602 9.134 16.961 1.00 0.00 H new ATOM 0 HA ARG A 143 -6.756 11.186 14.955 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.102 9.611 16.984 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.569 10.993 16.047 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.793 12.084 17.217 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.375 10.908 18.447 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.001 12.653 19.154 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.890 11.880 18.040 1.00 0.00 H new ATOM 0 HE ARG A 143 -4.357 13.629 16.366 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -7.233 13.939 17.746 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -7.101 15.621 18.270 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -3.642 15.759 17.785 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -5.085 16.643 18.292 1.00 0.00 H new ATOM 695 N ARG A 144 -5.591 9.603 13.366 1.00 0.00 N ATOM 696 CA ARG A 144 -5.103 8.616 12.359 1.00 0.00 C ATOM 697 C ARG A 144 -3.853 7.918 12.897 1.00 0.00 C ATOM 698 O ARG A 144 -3.669 6.730 12.717 1.00 0.00 O ATOM 699 CB ARG A 144 -4.761 9.342 11.055 1.00 0.00 C ATOM 700 CG ARG A 144 -5.087 8.437 9.865 1.00 0.00 C ATOM 701 CD ARG A 144 -4.785 9.177 8.561 1.00 0.00 C ATOM 702 NE ARG A 144 -3.346 9.558 8.527 1.00 0.00 N ATOM 703 CZ ARG A 144 -2.973 10.651 7.916 1.00 0.00 C ATOM 704 NH1 ARG A 144 -3.087 11.803 8.515 1.00 0.00 N ATOM 705 NH2 ARG A 144 -2.486 10.587 6.706 1.00 0.00 N ATOM 0 H ARG A 144 -5.529 10.579 13.077 1.00 0.00 H new ATOM 0 HA ARG A 144 -5.880 7.876 12.168 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -5.327 10.271 10.985 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -3.705 9.611 11.042 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.499 7.521 9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.137 8.144 9.894 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.024 8.543 7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -5.410 10.067 8.483 1.00 0.00 H new ATOM 0 HE ARG A 144 -2.651 8.965 8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -3.467 11.851 9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -2.796 12.657 8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -2.397 9.685 6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -2.194 11.440 6.228 1.00 0.00 H new ATOM 719 N ASP A 145 -2.995 8.653 13.558 1.00 0.00 N ATOM 720 CA ASP A 145 -1.751 8.046 14.118 1.00 0.00 C ATOM 721 C ASP A 145 -2.112 6.956 15.136 1.00 0.00 C ATOM 722 O ASP A 145 -1.320 6.075 15.413 1.00 0.00 O ATOM 723 CB ASP A 145 -0.923 9.132 14.809 1.00 0.00 C ATOM 724 CG ASP A 145 -1.791 9.860 15.837 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.249 9.211 16.763 1.00 0.00 O ATOM 726 OD2 ASP A 145 -1.985 11.054 15.680 1.00 0.00 O ATOM 0 H ASP A 145 -3.104 9.652 13.734 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.173 7.602 13.308 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.057 8.687 15.299 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.544 9.839 14.071 1.00 0.00 H new ATOM 731 N LEU A 146 -3.296 7.012 15.696 1.00 0.00 N ATOM 732 CA LEU A 146 -3.707 5.984 16.696 1.00 0.00 C ATOM 733 C LEU A 146 -4.029 4.667 15.985 1.00 0.00 C ATOM 734 O LEU A 146 -3.542 3.617 16.355 1.00 0.00 O ATOM 735 CB LEU A 146 -4.953 6.472 17.436 1.00 0.00 C ATOM 736 CG LEU A 146 -4.536 7.259 18.680 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.694 8.153 19.129 1.00 0.00 C ATOM 738 CD2 LEU A 146 -4.181 6.284 19.805 1.00 0.00 C ATOM 0 H LEU A 146 -3.996 7.728 15.501 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.893 5.823 17.403 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.555 7.101 16.780 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.574 5.623 17.722 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.669 7.876 18.446 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.398 8.714 20.015 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.949 8.847 18.328 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.561 7.535 19.364 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.884 6.844 20.692 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -5.049 5.667 20.039 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -3.357 5.645 19.486 1.00 0.00 H new ATOM 750 N LEU A 147 -4.859 4.721 14.975 1.00 0.00 N ATOM 751 CA LEU A 147 -5.239 3.479 14.234 1.00 0.00 C ATOM 752 C LEU A 147 -3.995 2.806 13.643 1.00 0.00 C ATOM 753 O LEU A 147 -3.811 1.610 13.772 1.00 0.00 O ATOM 754 CB LEU A 147 -6.202 3.840 13.101 1.00 0.00 C ATOM 755 CG LEU A 147 -7.133 2.659 12.820 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.169 3.065 11.771 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.316 1.477 12.292 1.00 0.00 C ATOM 0 H LEU A 147 -5.293 5.577 14.629 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.719 2.789 14.928 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.786 4.719 13.373 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.641 4.096 12.202 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.639 2.370 13.742 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.833 2.224 11.570 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.753 3.907 12.143 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.661 3.354 10.851 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.980 0.636 12.092 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.810 1.767 11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.575 1.185 13.036 1.00 0.00 H new ATOM 769 N ILE A 148 -3.146 3.560 12.989 1.00 0.00 N ATOM 770 CA ILE A 148 -1.920 2.958 12.380 1.00 0.00 C ATOM 771 C ILE A 148 -1.040 2.358 13.481 1.00 0.00 C ATOM 772 O ILE A 148 -0.613 1.223 13.392 1.00 0.00 O ATOM 773 CB ILE A 148 -1.132 4.033 11.625 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.042 4.713 10.597 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.049 3.381 10.899 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.656 6.188 10.470 1.00 0.00 C ATOM 0 H ILE A 148 -3.249 4.565 12.851 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.216 2.174 11.683 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.765 4.776 12.334 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.950 4.218 9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.084 4.624 10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.611 4.144 10.361 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.700 2.896 11.626 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.323 2.639 10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.303 6.672 9.739 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.770 6.679 11.437 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.619 6.266 10.144 1.00 0.00 H new ATOM 788 N ARG A 149 -0.769 3.110 14.515 1.00 0.00 N ATOM 789 CA ARG A 149 0.082 2.588 15.626 1.00 0.00 C ATOM 790 C ARG A 149 -0.635 1.436 16.346 1.00 0.00 C ATOM 791 O ARG A 149 -0.027 0.698 17.094 1.00 0.00 O ATOM 792 CB ARG A 149 0.361 3.715 16.625 1.00 0.00 C ATOM 793 CG ARG A 149 1.404 3.253 17.652 1.00 0.00 C ATOM 794 CD ARG A 149 0.714 2.910 18.976 1.00 0.00 C ATOM 795 NE ARG A 149 1.688 3.057 20.094 1.00 0.00 N ATOM 796 CZ ARG A 149 1.418 2.546 21.265 1.00 0.00 C ATOM 797 NH1 ARG A 149 0.417 3.008 21.963 1.00 0.00 N ATOM 798 NH2 ARG A 149 2.150 1.573 21.736 1.00 0.00 N ATOM 0 H ARG A 149 -1.101 4.066 14.639 1.00 0.00 H new ATOM 0 HA ARG A 149 1.020 2.220 15.212 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.722 4.599 16.099 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.561 4.000 17.132 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.939 2.382 17.274 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.144 4.037 17.810 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.141 3.568 19.135 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.330 1.890 18.945 1.00 0.00 H new ATOM 0 HE ARG A 149 2.565 3.556 19.945 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -0.154 3.768 21.594 1.00 0.00 H new ATOM 0 HH12 ARG A 149 0.206 2.609 22.878 1.00 0.00 H new ATOM 0 HH21 ARG A 149 2.932 1.213 21.189 1.00 0.00 H new ATOM 0 HH22 ARG A 149 1.940 1.173 22.651 1.00 0.00 H new ATOM 812 N HIS A 150 -1.921 1.280 16.134 1.00 0.00 N ATOM 813 CA HIS A 150 -2.672 0.182 16.812 1.00 0.00 C ATOM 814 C HIS A 150 -2.380 -1.150 16.102 1.00 0.00 C ATOM 815 O HIS A 150 -1.902 -2.089 16.708 1.00 0.00 O ATOM 816 CB HIS A 150 -4.178 0.515 16.757 1.00 0.00 C ATOM 817 CG HIS A 150 -5.009 -0.658 17.219 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.596 -1.505 18.235 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.223 -1.138 16.799 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.547 -2.446 18.388 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.561 -2.268 17.536 1.00 0.00 N ATOM 0 H HIS A 150 -2.482 1.869 15.518 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.363 0.089 17.853 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.386 1.382 17.384 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.458 0.785 15.739 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.825 -0.704 16.015 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.496 -3.247 19.111 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.402 -2.838 17.446 1.00 0.00 H new ATOM 829 N ALA A 151 -2.677 -1.237 14.832 1.00 0.00 N ATOM 830 CA ALA A 151 -2.433 -2.508 14.087 1.00 0.00 C ATOM 831 C ALA A 151 -0.929 -2.745 13.931 1.00 0.00 C ATOM 832 O ALA A 151 -0.412 -3.781 14.299 1.00 0.00 O ATOM 833 CB ALA A 151 -3.073 -2.415 12.701 1.00 0.00 C ATOM 0 H ALA A 151 -3.079 -0.481 14.277 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.871 -3.336 14.644 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.896 -3.342 12.156 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.146 -2.255 12.806 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.634 -1.582 12.153 1.00 0.00 H new ATOM 839 N GLN A 152 -0.225 -1.795 13.375 1.00 0.00 N ATOM 840 CA GLN A 152 1.249 -1.957 13.167 1.00 0.00 C ATOM 841 C GLN A 152 1.955 -2.396 14.462 1.00 0.00 C ATOM 842 O GLN A 152 3.031 -2.962 14.419 1.00 0.00 O ATOM 843 CB GLN A 152 1.845 -0.625 12.701 1.00 0.00 C ATOM 844 CG GLN A 152 1.161 -0.172 11.407 1.00 0.00 C ATOM 845 CD GLN A 152 2.035 -0.542 10.207 1.00 0.00 C ATOM 846 OE1 GLN A 152 1.573 -1.163 9.270 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.291 -0.182 10.195 1.00 0.00 N ATOM 0 H GLN A 152 -0.608 -0.906 13.053 1.00 0.00 H new ATOM 0 HA GLN A 152 1.401 -2.729 12.413 1.00 0.00 H new ATOM 0 HB2 GLN A 152 1.716 0.132 13.475 1.00 0.00 H new ATOM 0 HB3 GLN A 152 2.917 -0.734 12.537 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.183 -0.644 11.316 1.00 0.00 H new ATOM 0 HG3 GLN A 152 0.994 0.905 11.430 1.00 0.00 H new ATOM 0 HE21 GLN A 152 3.680 0.339 10.981 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.883 -0.422 9.400 1.00 0.00 H new ATOM 856 N LYS A 153 1.372 -2.128 15.605 1.00 0.00 N ATOM 857 CA LYS A 153 2.029 -2.519 16.889 1.00 0.00 C ATOM 858 C LYS A 153 1.505 -3.875 17.377 1.00 0.00 C ATOM 859 O LYS A 153 2.206 -4.601 18.057 1.00 0.00 O ATOM 860 CB LYS A 153 1.743 -1.454 17.949 1.00 0.00 C ATOM 861 CG LYS A 153 2.544 -0.190 17.632 1.00 0.00 C ATOM 862 CD LYS A 153 4.021 -0.428 17.950 1.00 0.00 C ATOM 863 CE LYS A 153 4.772 0.904 17.921 1.00 0.00 C ATOM 864 NZ LYS A 153 6.234 0.655 18.058 1.00 0.00 N ATOM 0 H LYS A 153 0.473 -1.657 15.703 1.00 0.00 H new ATOM 0 HA LYS A 153 3.103 -2.601 16.720 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.677 -1.226 17.972 1.00 0.00 H new ATOM 0 HB3 LYS A 153 2.010 -1.828 18.937 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.425 0.074 16.581 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.166 0.649 18.216 1.00 0.00 H new ATOM 0 HD2 LYS A 153 4.122 -0.893 18.931 1.00 0.00 H new ATOM 0 HD3 LYS A 153 4.453 -1.117 17.224 1.00 0.00 H new ATOM 0 HE2 LYS A 153 4.568 1.428 16.987 1.00 0.00 H new ATOM 0 HE3 LYS A 153 4.425 1.547 18.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 6.744 1.561 18.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 6.421 0.172 18.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 6.560 0.057 17.272 1.00 0.00 H new ATOM 878 N ILE A 154 0.281 -4.220 17.053 1.00 0.00 N ATOM 879 CA ILE A 154 -0.275 -5.527 17.524 1.00 0.00 C ATOM 880 C ILE A 154 -0.750 -6.376 16.337 1.00 0.00 C ATOM 881 O ILE A 154 -0.401 -7.537 16.224 1.00 0.00 O ATOM 882 CB ILE A 154 -1.452 -5.264 18.470 1.00 0.00 C ATOM 883 CG1 ILE A 154 -0.994 -4.352 19.613 1.00 0.00 C ATOM 884 CG2 ILE A 154 -1.955 -6.590 19.051 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.333 -2.899 19.277 1.00 0.00 C ATOM 0 H ILE A 154 -0.353 -3.656 16.486 1.00 0.00 H new ATOM 0 HA ILE A 154 0.509 -6.074 18.047 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.258 -4.782 17.916 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -1.482 -4.644 20.543 1.00 0.00 H new ATOM 0 HG13 ILE A 154 0.079 -4.459 19.769 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -2.792 -6.399 19.723 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.282 -7.242 18.241 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.150 -7.074 19.603 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.007 -2.252 20.091 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.824 -2.610 18.357 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.410 -2.798 19.143 1.00 0.00 H new ATOM 897 N HIS A 155 -1.553 -5.819 15.465 1.00 0.00 N ATOM 898 CA HIS A 155 -2.063 -6.605 14.303 1.00 0.00 C ATOM 899 C HIS A 155 -0.922 -6.897 13.323 1.00 0.00 C ATOM 900 O HIS A 155 -0.413 -8.001 13.272 1.00 0.00 O ATOM 901 CB HIS A 155 -3.166 -5.812 13.599 1.00 0.00 C ATOM 902 CG HIS A 155 -4.320 -5.617 14.544 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.841 -6.657 15.299 1.00 0.00 N ATOM 904 CD2 HIS A 155 -5.062 -4.509 14.870 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.852 -6.157 16.034 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.029 -4.852 15.810 1.00 0.00 N ATOM 0 H HIS A 155 -1.877 -4.853 15.509 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.468 -7.552 14.659 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.782 -4.846 13.271 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.498 -6.342 12.706 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.917 -3.521 14.459 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.447 -6.740 16.721 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.724 -4.239 16.236 1.00 0.00 H new