USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 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 -158:sc= -0.635 USER MOD Set 1.2: A 137 CYS SG : rot -151:sc= 0.0678 USER MOD Set 1.3: A 150 HIS : no HD1:sc= -1.99 K(o=-9.3,f=-20!) USER MOD Set 1.4: A 155 HIS : no HE2:sc= -6.72! C(o=-9.3!,f=-9!) USER MOD Set 2.1: A 106 CYS SG : rot 120:sc= -0.339 USER MOD Set 2.2: A 109 CYS SG : rot -176:sc= -0.483 USER MOD Set 2.3: A 122 HIS : no HD1:sc= 1.4 K(o=0.22,f=-13!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -0.36 K(o=0.22,f=-12!) USER MOD Single : A 110 THR OG1 : rot 1:sc= 0.45 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=-0.037) 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= -0.1 X(o=-0.1,f=-0.52) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0.00574 USER MOD Single : A 152 GLN : amide:sc=-0.00694 X(o=-0.0069,f=-0.13) USER MOD Single : A 153 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.323) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -37.484 8.627 28.759 1.00 0.00 N ATOM 37 CA PHE A 104 -36.212 8.256 28.077 1.00 0.00 C ATOM 38 C PHE A 104 -35.192 9.376 28.277 1.00 0.00 C ATOM 39 O PHE A 104 -34.877 10.124 27.370 1.00 0.00 O ATOM 40 CB PHE A 104 -36.470 8.052 26.584 1.00 0.00 C ATOM 41 CG PHE A 104 -37.467 6.935 26.394 1.00 0.00 C ATOM 42 CD1 PHE A 104 -38.841 7.202 26.459 1.00 0.00 C ATOM 43 CD2 PHE A 104 -37.019 5.630 26.154 1.00 0.00 C ATOM 44 CE1 PHE A 104 -39.765 6.164 26.283 1.00 0.00 C ATOM 45 CE2 PHE A 104 -37.942 4.593 25.979 1.00 0.00 C ATOM 46 CZ PHE A 104 -39.315 4.860 26.043 1.00 0.00 C ATOM 0 HA PHE A 104 -35.825 7.329 28.501 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -36.850 8.972 26.141 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -35.538 7.813 26.072 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -39.188 8.208 26.645 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -35.960 5.424 26.104 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -40.824 6.369 26.332 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -37.595 3.587 25.795 1.00 0.00 H new ATOM 0 HZ PHE A 104 -40.027 4.060 25.907 1.00 0.00 H new ATOM 56 N VAL A 105 -34.677 9.489 29.471 1.00 0.00 N ATOM 57 CA VAL A 105 -33.670 10.552 29.770 1.00 0.00 C ATOM 58 C VAL A 105 -32.276 10.037 29.393 1.00 0.00 C ATOM 59 O VAL A 105 -31.932 8.900 29.651 1.00 0.00 O ATOM 60 CB VAL A 105 -33.728 10.912 31.271 1.00 0.00 C ATOM 61 CG1 VAL A 105 -33.670 9.638 32.118 1.00 0.00 C ATOM 62 CG2 VAL A 105 -32.556 11.830 31.658 1.00 0.00 C ATOM 0 H VAL A 105 -34.912 8.886 30.260 1.00 0.00 H new ATOM 0 HA VAL A 105 -33.888 11.449 29.191 1.00 0.00 H new ATOM 0 HB VAL A 105 -34.665 11.436 31.458 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -33.711 9.902 33.175 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -34.516 8.998 31.870 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -32.741 9.107 31.913 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -32.617 12.070 32.719 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -31.613 11.322 31.455 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -32.606 12.749 31.074 1.00 0.00 H new ATOM 72 N CYS A 106 -31.477 10.880 28.792 1.00 0.00 N ATOM 73 CA CYS A 106 -30.100 10.465 28.402 1.00 0.00 C ATOM 74 C CYS A 106 -29.299 10.149 29.667 1.00 0.00 C ATOM 75 O CYS A 106 -29.457 10.797 30.685 1.00 0.00 O ATOM 76 CB CYS A 106 -29.425 11.604 27.634 1.00 0.00 C ATOM 77 SG CYS A 106 -27.823 11.047 27.000 1.00 0.00 S ATOM 0 H CYS A 106 -31.722 11.841 28.554 1.00 0.00 H new ATOM 0 HA CYS A 106 -30.144 9.581 27.766 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -30.061 11.927 26.810 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -29.289 12.466 28.288 1.00 0.00 H new ATOM 0 HG CYS A 106 -27.815 11.137 25.703 1.00 0.00 H new ATOM 82 N GLU A 107 -28.445 9.159 29.611 1.00 0.00 N ATOM 83 CA GLU A 107 -27.633 8.794 30.812 1.00 0.00 C ATOM 84 C GLU A 107 -26.301 9.555 30.808 1.00 0.00 C ATOM 85 O GLU A 107 -25.312 9.073 31.329 1.00 0.00 O ATOM 86 CB GLU A 107 -27.356 7.289 30.798 1.00 0.00 C ATOM 87 CG GLU A 107 -28.680 6.526 30.710 1.00 0.00 C ATOM 88 CD GLU A 107 -28.415 5.028 30.865 1.00 0.00 C ATOM 89 OE1 GLU A 107 -28.039 4.407 29.884 1.00 0.00 O ATOM 90 OE2 GLU A 107 -28.592 4.526 31.963 1.00 0.00 O ATOM 0 H GLU A 107 -28.274 8.587 28.784 1.00 0.00 H new ATOM 0 HA GLU A 107 -28.190 9.062 31.710 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -26.720 7.034 29.950 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -26.817 6.999 31.700 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -29.362 6.868 31.488 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -29.163 6.724 29.753 1.00 0.00 H new ATOM 97 N VAL A 108 -26.261 10.731 30.227 1.00 0.00 N ATOM 98 CA VAL A 108 -24.987 11.507 30.196 1.00 0.00 C ATOM 99 C VAL A 108 -25.266 12.966 30.558 1.00 0.00 C ATOM 100 O VAL A 108 -24.557 13.561 31.348 1.00 0.00 O ATOM 101 CB VAL A 108 -24.374 11.434 28.794 1.00 0.00 C ATOM 102 CG1 VAL A 108 -22.966 12.034 28.820 1.00 0.00 C ATOM 103 CG2 VAL A 108 -24.294 9.973 28.343 1.00 0.00 C ATOM 0 H VAL A 108 -27.055 11.183 29.775 1.00 0.00 H new ATOM 0 HA VAL A 108 -24.289 11.083 30.918 1.00 0.00 H new ATOM 0 HB VAL A 108 -24.998 11.995 28.098 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -22.530 11.982 27.822 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -23.020 13.075 29.139 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -22.344 11.473 29.518 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -23.858 9.924 27.345 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -23.672 9.411 29.039 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -25.295 9.543 28.323 1.00 0.00 H new ATOM 113 N CYS A 109 -26.291 13.543 29.988 1.00 0.00 N ATOM 114 CA CYS A 109 -26.618 14.966 30.299 1.00 0.00 C ATOM 115 C CYS A 109 -27.983 15.063 30.992 1.00 0.00 C ATOM 116 O CYS A 109 -28.542 16.136 31.105 1.00 0.00 O ATOM 117 CB CYS A 109 -26.645 15.781 29.001 1.00 0.00 C ATOM 118 SG CYS A 109 -27.802 15.029 27.828 1.00 0.00 S ATOM 0 H CYS A 109 -26.916 13.091 29.321 1.00 0.00 H new ATOM 0 HA CYS A 109 -25.855 15.363 30.968 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -26.943 16.808 29.212 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -25.647 15.822 28.566 1.00 0.00 H new ATOM 0 HG CYS A 109 -27.759 15.675 26.701 1.00 0.00 H new ATOM 123 N THR A 110 -28.526 13.955 31.459 1.00 0.00 N ATOM 124 CA THR A 110 -29.862 13.984 32.152 1.00 0.00 C ATOM 125 C THR A 110 -30.883 14.761 31.303 1.00 0.00 C ATOM 126 O THR A 110 -31.537 15.672 31.777 1.00 0.00 O ATOM 127 CB THR A 110 -29.721 14.646 33.531 1.00 0.00 C ATOM 128 OG1 THR A 110 -29.512 16.042 33.370 1.00 0.00 O ATOM 129 CG2 THR A 110 -28.540 14.037 34.295 1.00 0.00 C ATOM 0 H THR A 110 -28.100 13.031 31.389 1.00 0.00 H new ATOM 0 HA THR A 110 -30.214 12.961 32.280 1.00 0.00 H new ATOM 0 HB THR A 110 -30.636 14.475 34.099 1.00 0.00 H new ATOM 0 HG1 THR A 110 -29.526 16.267 32.416 1.00 0.00 H new ATOM 0 HG21 THR A 110 -28.452 14.516 35.270 1.00 0.00 H new ATOM 0 HG22 THR A 110 -28.706 12.968 34.429 1.00 0.00 H new ATOM 0 HG23 THR A 110 -27.621 14.194 33.730 1.00 0.00 H new ATOM 137 N ARG A 111 -31.009 14.407 30.051 1.00 0.00 N ATOM 138 CA ARG A 111 -31.969 15.119 29.155 1.00 0.00 C ATOM 139 C ARG A 111 -33.384 14.577 29.384 1.00 0.00 C ATOM 140 O ARG A 111 -33.667 13.976 30.402 1.00 0.00 O ATOM 141 CB ARG A 111 -31.555 14.894 27.694 1.00 0.00 C ATOM 142 CG ARG A 111 -31.745 16.188 26.900 1.00 0.00 C ATOM 143 CD ARG A 111 -30.557 17.120 27.151 1.00 0.00 C ATOM 144 NE ARG A 111 -30.820 18.443 26.518 1.00 0.00 N ATOM 145 CZ ARG A 111 -29.944 19.403 26.627 1.00 0.00 C ATOM 146 NH1 ARG A 111 -28.728 19.232 26.183 1.00 0.00 N ATOM 147 NH2 ARG A 111 -30.282 20.535 27.182 1.00 0.00 N ATOM 0 H ARG A 111 -30.486 13.652 29.608 1.00 0.00 H new ATOM 0 HA ARG A 111 -31.957 16.186 29.376 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -30.514 14.576 27.646 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -32.153 14.095 27.255 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -31.828 15.966 25.836 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -32.673 16.676 27.197 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -30.398 17.243 28.222 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -29.646 16.684 26.741 1.00 0.00 H new ATOM 0 HE ARG A 111 -31.685 18.598 26.000 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -28.463 18.347 25.751 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -28.043 19.983 26.269 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -31.231 20.669 27.530 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -29.597 21.286 27.267 1.00 0.00 H new ATOM 161 N ALA A 112 -34.276 14.789 28.446 1.00 0.00 N ATOM 162 CA ALA A 112 -35.669 14.286 28.608 1.00 0.00 C ATOM 163 C ALA A 112 -36.266 13.980 27.233 1.00 0.00 C ATOM 164 O ALA A 112 -36.643 14.873 26.498 1.00 0.00 O ATOM 165 CB ALA A 112 -36.521 15.345 29.310 1.00 0.00 C ATOM 0 H ALA A 112 -34.095 15.290 27.576 1.00 0.00 H new ATOM 0 HA ALA A 112 -35.656 13.377 29.209 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -37.539 14.974 29.427 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -36.098 15.560 30.291 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -36.533 16.257 28.713 1.00 0.00 H new ATOM 171 N PHE A 113 -36.355 12.722 26.886 1.00 0.00 N ATOM 172 CA PHE A 113 -36.929 12.341 25.564 1.00 0.00 C ATOM 173 C PHE A 113 -38.106 11.389 25.781 1.00 0.00 C ATOM 174 O PHE A 113 -38.277 10.840 26.852 1.00 0.00 O ATOM 175 CB PHE A 113 -35.856 11.645 24.724 1.00 0.00 C ATOM 176 CG PHE A 113 -34.713 12.599 24.475 1.00 0.00 C ATOM 177 CD1 PHE A 113 -34.876 13.674 23.593 1.00 0.00 C ATOM 178 CD2 PHE A 113 -33.489 12.411 25.130 1.00 0.00 C ATOM 179 CE1 PHE A 113 -33.816 14.559 23.364 1.00 0.00 C ATOM 180 CE2 PHE A 113 -32.429 13.297 24.901 1.00 0.00 C ATOM 181 CZ PHE A 113 -32.593 14.370 24.019 1.00 0.00 C ATOM 0 H PHE A 113 -36.053 11.939 27.466 1.00 0.00 H new ATOM 0 HA PHE A 113 -37.273 13.234 25.043 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -35.495 10.756 25.240 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -36.280 11.313 23.776 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -35.820 13.820 23.089 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -33.363 11.583 25.812 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -33.941 15.387 22.682 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -31.485 13.152 25.405 1.00 0.00 H new ATOM 0 HZ PHE A 113 -31.775 15.053 23.843 1.00 0.00 H new ATOM 191 N ALA A 114 -38.916 11.192 24.773 1.00 0.00 N ATOM 192 CA ALA A 114 -40.086 10.276 24.916 1.00 0.00 C ATOM 193 C ALA A 114 -39.887 9.039 24.036 1.00 0.00 C ATOM 194 O ALA A 114 -40.404 7.976 24.326 1.00 0.00 O ATOM 195 CB ALA A 114 -41.361 11.007 24.492 1.00 0.00 C ATOM 0 H ALA A 114 -38.817 11.627 23.856 1.00 0.00 H new ATOM 0 HA ALA A 114 -40.174 9.965 25.957 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -42.216 10.338 24.596 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -41.506 11.883 25.125 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -41.271 11.322 23.452 1.00 0.00 H new ATOM 201 N ARG A 115 -39.143 9.168 22.965 1.00 0.00 N ATOM 202 CA ARG A 115 -38.910 8.001 22.066 1.00 0.00 C ATOM 203 C ARG A 115 -37.454 7.543 22.188 1.00 0.00 C ATOM 204 O ARG A 115 -36.564 8.335 22.437 1.00 0.00 O ATOM 205 CB ARG A 115 -39.198 8.404 20.617 1.00 0.00 C ATOM 206 CG ARG A 115 -40.633 8.927 20.504 1.00 0.00 C ATOM 207 CD ARG A 115 -41.621 7.802 20.826 1.00 0.00 C ATOM 208 NE ARG A 115 -41.311 6.609 19.990 1.00 0.00 N ATOM 209 CZ ARG A 115 -42.156 6.213 19.079 1.00 0.00 C ATOM 210 NH1 ARG A 115 -43.178 5.473 19.413 1.00 0.00 N ATOM 211 NH2 ARG A 115 -41.980 6.555 17.832 1.00 0.00 N ATOM 0 H ARG A 115 -38.687 10.034 22.676 1.00 0.00 H new ATOM 0 HA ARG A 115 -39.573 7.185 22.354 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -38.494 9.172 20.296 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -39.059 7.548 19.957 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -40.781 9.761 21.190 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -40.814 9.306 19.498 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -41.561 7.543 21.883 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -42.641 8.136 20.637 1.00 0.00 H new ATOM 0 HE ARG A 115 -40.437 6.101 20.130 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -43.316 5.204 20.387 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -43.838 5.164 18.700 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -41.181 7.132 17.569 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -42.641 6.245 17.120 1.00 0.00 H new ATOM 225 N GLN A 116 -37.209 6.269 22.013 1.00 0.00 N ATOM 226 CA GLN A 116 -35.814 5.747 22.117 1.00 0.00 C ATOM 227 C GLN A 116 -35.101 5.899 20.771 1.00 0.00 C ATOM 228 O GLN A 116 -33.890 5.979 20.714 1.00 0.00 O ATOM 229 CB GLN A 116 -35.853 4.267 22.508 1.00 0.00 C ATOM 230 CG GLN A 116 -34.467 3.830 22.987 1.00 0.00 C ATOM 231 CD GLN A 116 -34.608 2.656 23.957 1.00 0.00 C ATOM 232 OE1 GLN A 116 -34.639 1.512 23.546 1.00 0.00 O ATOM 233 NE2 GLN A 116 -34.698 2.890 25.237 1.00 0.00 N ATOM 0 H GLN A 116 -37.918 5.566 21.802 1.00 0.00 H new ATOM 0 HA GLN A 116 -35.274 6.313 22.876 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -36.589 4.107 23.296 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -36.162 3.662 21.655 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -33.851 3.540 22.136 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -33.961 4.662 23.477 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -34.672 3.849 25.583 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -34.794 2.114 25.892 1.00 0.00 H new ATOM 242 N GLU A 117 -35.841 5.939 19.689 1.00 0.00 N ATOM 243 CA GLU A 117 -35.202 6.089 18.346 1.00 0.00 C ATOM 244 C GLU A 117 -34.491 7.441 18.273 1.00 0.00 C ATOM 245 O GLU A 117 -33.402 7.552 17.742 1.00 0.00 O ATOM 246 CB GLU A 117 -36.275 6.019 17.256 1.00 0.00 C ATOM 247 CG GLU A 117 -37.134 4.767 17.455 1.00 0.00 C ATOM 248 CD GLU A 117 -37.519 4.186 16.094 1.00 0.00 C ATOM 249 OE1 GLU A 117 -36.637 4.030 15.266 1.00 0.00 O ATOM 250 OE2 GLU A 117 -38.691 3.905 15.902 1.00 0.00 O ATOM 0 H GLU A 117 -36.859 5.874 19.679 1.00 0.00 H new ATOM 0 HA GLU A 117 -34.480 5.286 18.195 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -36.901 6.910 17.291 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -35.806 5.997 16.272 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -36.585 4.026 18.036 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -38.031 5.016 18.022 1.00 0.00 H new ATOM 257 N HIS A 118 -35.102 8.467 18.807 1.00 0.00 N ATOM 258 CA HIS A 118 -34.472 9.820 18.779 1.00 0.00 C ATOM 259 C HIS A 118 -33.343 9.877 19.809 1.00 0.00 C ATOM 260 O HIS A 118 -32.361 10.571 19.628 1.00 0.00 O ATOM 261 CB HIS A 118 -35.525 10.877 19.118 1.00 0.00 C ATOM 262 CG HIS A 118 -36.651 10.800 18.124 1.00 0.00 C ATOM 263 ND1 HIS A 118 -37.940 11.206 18.433 1.00 0.00 N ATOM 264 CD2 HIS A 118 -36.697 10.364 16.822 1.00 0.00 C ATOM 265 CE1 HIS A 118 -38.700 11.008 17.341 1.00 0.00 C ATOM 266 NE2 HIS A 118 -37.992 10.496 16.330 1.00 0.00 N ATOM 0 H HIS A 118 -36.014 8.425 19.263 1.00 0.00 H new ATOM 0 HA HIS A 118 -34.068 10.014 17.786 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -35.905 10.717 20.127 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -35.077 11.871 19.100 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -35.856 9.978 16.265 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -39.754 11.235 17.288 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -38.328 10.254 15.398 1.00 0.00 H new ATOM 274 N LEU A 119 -33.478 9.147 20.887 1.00 0.00 N ATOM 275 CA LEU A 119 -32.424 9.145 21.936 1.00 0.00 C ATOM 276 C LEU A 119 -31.158 8.485 21.389 1.00 0.00 C ATOM 277 O LEU A 119 -30.058 8.803 21.798 1.00 0.00 O ATOM 278 CB LEU A 119 -32.928 8.358 23.148 1.00 0.00 C ATOM 279 CG LEU A 119 -32.345 8.952 24.429 1.00 0.00 C ATOM 280 CD1 LEU A 119 -32.926 8.223 25.640 1.00 0.00 C ATOM 281 CD2 LEU A 119 -30.826 8.785 24.418 1.00 0.00 C ATOM 0 H LEU A 119 -34.281 8.549 21.083 1.00 0.00 H new ATOM 0 HA LEU A 119 -32.196 10.170 22.230 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -34.017 8.388 23.185 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -32.640 7.310 23.058 1.00 0.00 H new ATOM 0 HG LEU A 119 -32.597 10.011 24.487 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -32.510 8.647 26.554 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -34.010 8.337 25.648 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -32.673 7.164 25.583 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -30.407 9.208 25.331 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -30.577 7.725 24.361 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -30.409 9.302 23.554 1.00 0.00 H new ATOM 293 N LYS A 120 -31.305 7.565 20.469 1.00 0.00 N ATOM 294 CA LYS A 120 -30.114 6.875 19.893 1.00 0.00 C ATOM 295 C LYS A 120 -29.224 7.894 19.175 1.00 0.00 C ATOM 296 O LYS A 120 -28.022 7.918 19.362 1.00 0.00 O ATOM 297 CB LYS A 120 -30.574 5.808 18.898 1.00 0.00 C ATOM 298 CG LYS A 120 -30.875 4.507 19.646 1.00 0.00 C ATOM 299 CD LYS A 120 -30.496 3.312 18.768 1.00 0.00 C ATOM 300 CE LYS A 120 -29.975 2.174 19.650 1.00 0.00 C ATOM 301 NZ LYS A 120 -28.911 1.429 18.921 1.00 0.00 N ATOM 0 H LYS A 120 -32.203 7.262 20.092 1.00 0.00 H new ATOM 0 HA LYS A 120 -29.547 6.404 20.696 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -31.463 6.149 18.368 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -29.802 5.638 18.148 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -30.316 4.476 20.582 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -31.933 4.460 19.905 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -31.363 2.977 18.198 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -29.734 3.605 18.046 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -29.579 2.575 20.583 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -30.791 1.500 19.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -28.556 0.656 19.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -29.303 1.035 18.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -28.129 2.076 18.692 1.00 0.00 H new ATOM 315 N ARG A 121 -29.806 8.731 18.353 1.00 0.00 N ATOM 316 CA ARG A 121 -28.999 9.750 17.618 1.00 0.00 C ATOM 317 C ARG A 121 -28.402 10.745 18.617 1.00 0.00 C ATOM 318 O ARG A 121 -27.320 11.263 18.419 1.00 0.00 O ATOM 319 CB ARG A 121 -29.898 10.496 16.630 1.00 0.00 C ATOM 320 CG ARG A 121 -29.045 11.082 15.505 1.00 0.00 C ATOM 321 CD ARG A 121 -29.847 11.086 14.203 1.00 0.00 C ATOM 322 NE ARG A 121 -29.276 12.099 13.271 1.00 0.00 N ATOM 323 CZ ARG A 121 -29.265 11.870 11.986 1.00 0.00 C ATOM 324 NH1 ARG A 121 -30.307 11.338 11.407 1.00 0.00 N ATOM 325 NH2 ARG A 121 -28.211 12.174 11.278 1.00 0.00 N ATOM 0 H ARG A 121 -30.807 8.752 18.160 1.00 0.00 H new ATOM 0 HA ARG A 121 -28.195 9.254 17.074 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -30.645 9.817 16.218 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -30.438 11.292 17.143 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -28.738 12.097 15.758 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -28.135 10.495 15.382 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -29.820 10.098 13.744 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -30.893 11.314 14.408 1.00 0.00 H new ATOM 0 HE ARG A 121 -28.894 12.971 13.637 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -31.131 11.101 11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -30.297 11.160 10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -27.396 12.590 11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -28.202 11.995 10.274 1.00 0.00 H new ATOM 339 N HIS A 122 -29.106 11.012 19.687 1.00 0.00 N ATOM 340 CA HIS A 122 -28.595 11.972 20.710 1.00 0.00 C ATOM 341 C HIS A 122 -27.552 11.270 21.606 1.00 0.00 C ATOM 342 O HIS A 122 -26.816 11.918 22.325 1.00 0.00 O ATOM 343 CB HIS A 122 -29.785 12.473 21.553 1.00 0.00 C ATOM 344 CG HIS A 122 -29.308 13.281 22.736 1.00 0.00 C ATOM 345 ND1 HIS A 122 -28.978 14.624 22.632 1.00 0.00 N ATOM 346 CD2 HIS A 122 -29.098 12.945 24.050 1.00 0.00 C ATOM 347 CE1 HIS A 122 -28.591 15.042 23.852 1.00 0.00 C ATOM 348 NE2 HIS A 122 -28.646 14.057 24.754 1.00 0.00 N ATOM 0 H HIS A 122 -30.017 10.604 19.897 1.00 0.00 H new ATOM 0 HA HIS A 122 -28.113 12.821 20.225 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -30.443 13.082 20.934 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -30.372 11.623 21.901 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -29.259 11.965 24.474 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -28.275 16.050 24.075 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -28.408 14.109 25.744 1.00 0.00 H new ATOM 356 N TYR A 123 -27.489 9.959 21.574 1.00 0.00 N ATOM 357 CA TYR A 123 -26.503 9.232 22.428 1.00 0.00 C ATOM 358 C TYR A 123 -25.270 8.868 21.597 1.00 0.00 C ATOM 359 O TYR A 123 -24.603 7.886 21.864 1.00 0.00 O ATOM 360 CB TYR A 123 -27.147 7.956 22.970 1.00 0.00 C ATOM 361 CG TYR A 123 -26.272 7.368 24.051 1.00 0.00 C ATOM 362 CD1 TYR A 123 -26.170 8.006 25.293 1.00 0.00 C ATOM 363 CD2 TYR A 123 -25.563 6.184 23.812 1.00 0.00 C ATOM 364 CE1 TYR A 123 -25.359 7.460 26.296 1.00 0.00 C ATOM 365 CE2 TYR A 123 -24.754 5.638 24.815 1.00 0.00 C ATOM 366 CZ TYR A 123 -24.652 6.276 26.057 1.00 0.00 C ATOM 367 OH TYR A 123 -23.853 5.739 27.045 1.00 0.00 O ATOM 0 H TYR A 123 -28.079 9.364 20.993 1.00 0.00 H new ATOM 0 HA TYR A 123 -26.202 9.871 23.258 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -28.137 8.177 23.369 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -27.282 7.234 22.165 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -26.717 8.919 25.478 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -25.641 5.692 22.854 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -25.279 7.953 27.254 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -24.208 4.724 24.631 1.00 0.00 H new ATOM 0 HH TYR A 123 -23.434 4.916 26.716 1.00 0.00 H new ATOM 377 N ARG A 124 -24.964 9.652 20.594 1.00 0.00 N ATOM 378 CA ARG A 124 -23.773 9.358 19.743 1.00 0.00 C ATOM 379 C ARG A 124 -22.672 10.377 20.037 1.00 0.00 C ATOM 380 O ARG A 124 -21.496 10.076 19.945 1.00 0.00 O ATOM 381 CB ARG A 124 -24.167 9.441 18.267 1.00 0.00 C ATOM 382 CG ARG A 124 -24.656 8.070 17.791 1.00 0.00 C ATOM 383 CD ARG A 124 -24.858 8.083 16.270 1.00 0.00 C ATOM 384 NE ARG A 124 -23.948 7.085 15.641 1.00 0.00 N ATOM 385 CZ ARG A 124 -24.099 5.813 15.894 1.00 0.00 C ATOM 386 NH1 ARG A 124 -25.159 5.184 15.464 1.00 0.00 N ATOM 387 NH2 ARG A 124 -23.192 5.172 16.578 1.00 0.00 N ATOM 0 H ARG A 124 -25.490 10.485 20.328 1.00 0.00 H new ATOM 0 HA ARG A 124 -23.407 8.355 19.964 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -24.951 10.186 18.130 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -23.314 9.762 17.669 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -23.932 7.302 18.063 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -25.592 7.816 18.288 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -25.895 7.849 16.028 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -24.654 9.078 15.874 1.00 0.00 H new ATOM 0 HE ARG A 124 -23.207 7.395 15.013 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -25.869 5.686 14.931 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -25.277 4.190 15.661 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -22.365 5.664 16.915 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -23.310 4.178 16.776 1.00 0.00 H new ATOM 401 N SER A 125 -23.046 11.580 20.393 1.00 0.00 N ATOM 402 CA SER A 125 -22.029 12.627 20.699 1.00 0.00 C ATOM 403 C SER A 125 -21.510 12.431 22.124 1.00 0.00 C ATOM 404 O SER A 125 -20.360 12.699 22.417 1.00 0.00 O ATOM 405 CB SER A 125 -22.665 14.012 20.574 1.00 0.00 C ATOM 406 OG SER A 125 -23.686 14.148 21.553 1.00 0.00 O ATOM 0 H SER A 125 -24.016 11.881 20.485 1.00 0.00 H new ATOM 0 HA SER A 125 -21.201 12.545 19.995 1.00 0.00 H new ATOM 0 HB2 SER A 125 -21.909 14.786 20.710 1.00 0.00 H new ATOM 0 HB3 SER A 125 -23.082 14.145 19.576 1.00 0.00 H new ATOM 0 HG SER A 125 -24.095 15.035 21.478 1.00 0.00 H new ATOM 412 N HIS A 126 -22.352 11.963 23.011 1.00 0.00 N ATOM 413 CA HIS A 126 -21.918 11.742 24.422 1.00 0.00 C ATOM 414 C HIS A 126 -20.825 10.673 24.455 1.00 0.00 C ATOM 415 O HIS A 126 -19.957 10.688 25.308 1.00 0.00 O ATOM 416 CB HIS A 126 -23.110 11.272 25.256 1.00 0.00 C ATOM 417 CG HIS A 126 -24.155 12.352 25.297 1.00 0.00 C ATOM 418 ND1 HIS A 126 -23.872 13.642 25.716 1.00 0.00 N ATOM 419 CD2 HIS A 126 -25.490 12.346 24.978 1.00 0.00 C ATOM 420 CE1 HIS A 126 -25.011 14.352 25.641 1.00 0.00 C ATOM 421 NE2 HIS A 126 -26.029 13.610 25.197 1.00 0.00 N ATOM 0 H HIS A 126 -23.324 11.724 22.817 1.00 0.00 H new ATOM 0 HA HIS A 126 -21.532 12.675 24.833 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -23.530 10.362 24.828 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -22.785 11.028 26.267 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -26.039 11.490 24.613 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -25.093 15.395 25.907 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -26.994 13.906 25.050 1.00 0.00 H new ATOM 508 N TYR A 132 -12.436 6.808 12.987 1.00 0.00 N ATOM 509 CA TYR A 132 -11.375 5.857 12.540 1.00 0.00 C ATOM 510 C TYR A 132 -11.548 4.504 13.259 1.00 0.00 C ATOM 511 O TYR A 132 -10.788 4.185 14.154 1.00 0.00 O ATOM 512 CB TYR A 132 -9.995 6.439 12.861 1.00 0.00 C ATOM 513 CG TYR A 132 -9.832 7.770 12.165 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.565 7.813 10.791 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.946 8.960 12.893 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.413 9.046 10.146 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.794 10.194 12.248 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.527 10.236 10.874 1.00 0.00 C ATOM 519 OH TYR A 132 -9.378 11.451 10.237 1.00 0.00 O ATOM 0 HA TYR A 132 -11.461 5.703 11.464 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.884 6.564 13.938 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -9.214 5.750 12.538 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.476 6.895 10.229 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -10.151 8.927 13.953 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.208 9.079 9.086 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.883 11.112 12.810 1.00 0.00 H new ATOM 0 HH TYR A 132 -9.488 12.177 10.886 1.00 0.00 H new ATOM 529 N PRO A 133 -12.539 3.731 12.850 1.00 0.00 N ATOM 530 CA PRO A 133 -12.797 2.412 13.454 1.00 0.00 C ATOM 531 C PRO A 133 -11.794 1.380 12.926 1.00 0.00 C ATOM 532 O PRO A 133 -11.328 1.476 11.806 1.00 0.00 O ATOM 533 CB PRO A 133 -14.221 2.075 13.001 1.00 0.00 C ATOM 534 CG PRO A 133 -14.485 2.916 11.730 1.00 0.00 C ATOM 535 CD PRO A 133 -13.489 4.088 11.764 1.00 0.00 C ATOM 0 HA PRO A 133 -12.693 2.410 14.539 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.320 1.010 12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.944 2.313 13.782 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.345 2.315 10.832 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.512 3.281 11.713 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.977 4.202 10.809 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.993 5.032 11.971 1.00 0.00 H new ATOM 543 N CYS A 134 -11.461 0.399 13.725 1.00 0.00 N ATOM 544 CA CYS A 134 -10.487 -0.643 13.281 1.00 0.00 C ATOM 545 C CYS A 134 -11.186 -1.625 12.337 1.00 0.00 C ATOM 546 O CYS A 134 -12.391 -1.791 12.381 1.00 0.00 O ATOM 547 CB CYS A 134 -9.957 -1.396 14.504 1.00 0.00 C ATOM 548 SG CYS A 134 -8.631 -2.523 14.000 1.00 0.00 S ATOM 0 H CYS A 134 -11.824 0.274 14.670 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.656 -0.168 12.759 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.584 -0.689 15.245 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.764 -1.956 14.976 1.00 0.00 H new ATOM 0 HG CYS A 134 -8.497 -3.461 14.890 1.00 0.00 H new ATOM 553 N GLY A 135 -10.436 -2.275 11.483 1.00 0.00 N ATOM 554 CA GLY A 135 -11.045 -3.249 10.530 1.00 0.00 C ATOM 555 C GLY A 135 -10.444 -4.636 10.764 1.00 0.00 C ATOM 556 O GLY A 135 -10.319 -5.430 9.850 1.00 0.00 O ATOM 0 H GLY A 135 -9.424 -2.172 11.406 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.126 -3.281 10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.864 -2.931 9.503 1.00 0.00 H new ATOM 560 N LEU A 136 -10.074 -4.930 11.983 1.00 0.00 N ATOM 561 CA LEU A 136 -9.479 -6.265 12.292 1.00 0.00 C ATOM 562 C LEU A 136 -10.112 -6.809 13.575 1.00 0.00 C ATOM 563 O LEU A 136 -10.581 -7.931 13.621 1.00 0.00 O ATOM 564 CB LEU A 136 -7.962 -6.130 12.491 1.00 0.00 C ATOM 565 CG LEU A 136 -7.356 -5.261 11.383 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.883 -4.993 11.689 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.469 -5.988 10.041 1.00 0.00 C ATOM 0 H LEU A 136 -10.158 -4.301 12.781 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.670 -6.947 11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.754 -5.687 13.465 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.498 -7.116 12.484 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.896 -4.315 11.333 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.454 -4.375 10.900 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.798 -4.473 12.643 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.344 -5.939 11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.038 -5.369 9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -6.931 -6.935 10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.519 -6.179 9.818 1.00 0.00 H new ATOM 579 N CYS A 137 -10.130 -6.015 14.612 1.00 0.00 N ATOM 580 CA CYS A 137 -10.732 -6.461 15.906 1.00 0.00 C ATOM 581 C CYS A 137 -11.888 -5.534 16.313 1.00 0.00 C ATOM 582 O CYS A 137 -12.534 -5.748 17.320 1.00 0.00 O ATOM 583 CB CYS A 137 -9.655 -6.436 16.987 1.00 0.00 C ATOM 584 SG CYS A 137 -8.924 -4.783 17.099 1.00 0.00 S ATOM 0 H CYS A 137 -9.751 -5.068 14.620 1.00 0.00 H new ATOM 0 HA CYS A 137 -11.124 -7.471 15.787 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -10.086 -6.717 17.948 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.882 -7.169 16.758 1.00 0.00 H new ATOM 0 HG CYS A 137 -7.695 -4.879 17.513 1.00 0.00 H new ATOM 589 N ASN A 138 -12.144 -4.503 15.542 1.00 0.00 N ATOM 590 CA ASN A 138 -13.250 -3.539 15.862 1.00 0.00 C ATOM 591 C ASN A 138 -12.832 -2.642 17.029 1.00 0.00 C ATOM 592 O ASN A 138 -12.810 -3.057 18.171 1.00 0.00 O ATOM 593 CB ASN A 138 -14.543 -4.287 16.220 1.00 0.00 C ATOM 594 CG ASN A 138 -15.751 -3.475 15.746 1.00 0.00 C ATOM 595 OD1 ASN A 138 -15.794 -3.034 14.614 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.739 -3.257 16.569 1.00 0.00 N ATOM 0 H ASN A 138 -11.626 -4.284 14.691 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.439 -2.927 14.980 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.547 -5.272 15.753 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.598 -4.445 17.297 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.548 -2.716 16.263 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.703 -3.627 17.519 1.00 0.00 H new ATOM 603 N ARG A 139 -12.503 -1.410 16.737 1.00 0.00 N ATOM 604 CA ARG A 139 -12.084 -0.455 17.805 1.00 0.00 C ATOM 605 C ARG A 139 -12.360 0.972 17.323 1.00 0.00 C ATOM 606 O ARG A 139 -13.040 1.171 16.333 1.00 0.00 O ATOM 607 CB ARG A 139 -10.589 -0.633 18.085 1.00 0.00 C ATOM 608 CG ARG A 139 -10.358 -1.977 18.779 1.00 0.00 C ATOM 609 CD ARG A 139 -8.977 -1.980 19.437 1.00 0.00 C ATOM 610 NE ARG A 139 -9.089 -1.461 20.828 1.00 0.00 N ATOM 611 CZ ARG A 139 -9.264 -2.289 21.821 1.00 0.00 C ATOM 612 NH1 ARG A 139 -8.232 -2.820 22.418 1.00 0.00 N ATOM 613 NH2 ARG A 139 -10.471 -2.586 22.218 1.00 0.00 N ATOM 0 H ARG A 139 -12.507 -1.022 15.794 1.00 0.00 H new ATOM 0 HA ARG A 139 -12.642 -0.645 18.722 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.026 -0.591 17.153 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.226 0.180 18.713 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.130 -2.149 19.529 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -10.430 -2.789 18.056 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.569 -2.991 19.446 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -8.287 -1.363 18.862 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.029 -0.458 21.005 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.288 -2.588 22.108 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -8.369 -3.467 23.194 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -11.278 -2.171 21.752 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -10.608 -3.233 22.994 1.00 0.00 H new ATOM 627 N ALA A 140 -11.850 1.967 18.009 1.00 0.00 N ATOM 628 CA ALA A 140 -12.099 3.375 17.579 1.00 0.00 C ATOM 629 C ALA A 140 -10.874 4.243 17.888 1.00 0.00 C ATOM 630 O ALA A 140 -10.165 4.015 18.850 1.00 0.00 O ATOM 631 CB ALA A 140 -13.322 3.920 18.323 1.00 0.00 C ATOM 0 H ALA A 140 -11.274 1.863 18.845 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.283 3.398 16.505 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -13.508 4.948 18.013 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.193 3.307 18.090 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -13.136 3.893 19.397 1.00 0.00 H new ATOM 637 N PHE A 141 -10.629 5.241 17.075 1.00 0.00 N ATOM 638 CA PHE A 141 -9.461 6.142 17.306 1.00 0.00 C ATOM 639 C PHE A 141 -9.814 7.555 16.837 1.00 0.00 C ATOM 640 O PHE A 141 -10.485 7.736 15.838 1.00 0.00 O ATOM 641 CB PHE A 141 -8.252 5.627 16.526 1.00 0.00 C ATOM 642 CG PHE A 141 -7.920 4.226 16.982 1.00 0.00 C ATOM 643 CD1 PHE A 141 -8.524 3.127 16.361 1.00 0.00 C ATOM 644 CD2 PHE A 141 -7.010 4.027 18.027 1.00 0.00 C ATOM 645 CE1 PHE A 141 -8.216 1.828 16.784 1.00 0.00 C ATOM 646 CE2 PHE A 141 -6.703 2.728 18.450 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.306 1.628 17.828 1.00 0.00 C ATOM 0 H PHE A 141 -11.193 5.470 16.256 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.218 6.161 18.369 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.466 5.632 15.457 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.397 6.285 16.683 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.227 3.281 15.556 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.545 4.875 18.507 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -8.681 0.980 16.304 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.001 2.574 19.256 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.069 0.626 18.154 1.00 0.00 H new ATOM 657 N THR A 142 -9.377 8.556 17.558 1.00 0.00 N ATOM 658 CA THR A 142 -9.693 9.965 17.171 1.00 0.00 C ATOM 659 C THR A 142 -8.923 10.356 15.907 1.00 0.00 C ATOM 660 O THR A 142 -9.466 10.987 15.017 1.00 0.00 O ATOM 661 CB THR A 142 -9.299 10.904 18.316 1.00 0.00 C ATOM 662 OG1 THR A 142 -7.968 10.615 18.724 1.00 0.00 O ATOM 663 CG2 THR A 142 -10.251 10.704 19.495 1.00 0.00 C ATOM 0 H THR A 142 -8.812 8.458 18.402 1.00 0.00 H new ATOM 0 HA THR A 142 -10.762 10.047 16.973 1.00 0.00 H new ATOM 0 HB THR A 142 -9.360 11.938 17.976 1.00 0.00 H new ATOM 0 HG1 THR A 142 -7.712 11.215 19.455 1.00 0.00 H new ATOM 0 HG21 THR A 142 -9.969 11.373 20.308 1.00 0.00 H new ATOM 0 HG22 THR A 142 -11.271 10.925 19.181 1.00 0.00 H new ATOM 0 HG23 THR A 142 -10.193 9.671 19.838 1.00 0.00 H new ATOM 671 N ARG A 143 -7.667 9.999 15.822 1.00 0.00 N ATOM 672 CA ARG A 143 -6.864 10.365 14.617 1.00 0.00 C ATOM 673 C ARG A 143 -6.480 9.102 13.843 1.00 0.00 C ATOM 674 O ARG A 143 -6.492 8.008 14.376 1.00 0.00 O ATOM 675 CB ARG A 143 -5.596 11.102 15.052 1.00 0.00 C ATOM 676 CG ARG A 143 -5.962 12.509 15.535 1.00 0.00 C ATOM 677 CD ARG A 143 -4.851 13.488 15.147 1.00 0.00 C ATOM 678 NE ARG A 143 -5.174 14.108 13.830 1.00 0.00 N ATOM 679 CZ ARG A 143 -6.100 15.025 13.749 1.00 0.00 C ATOM 680 NH1 ARG A 143 -7.340 14.684 13.531 1.00 0.00 N ATOM 681 NH2 ARG A 143 -5.784 16.285 13.884 1.00 0.00 N ATOM 0 H ARG A 143 -7.163 9.470 16.534 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.460 11.012 13.974 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.098 10.551 15.849 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.895 11.163 14.220 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.908 12.822 15.093 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.100 12.509 16.616 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.749 14.260 15.910 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -3.895 12.967 15.091 1.00 0.00 H new ATOM 0 HE ARG A 143 -4.671 13.816 12.992 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -7.587 13.700 13.424 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -8.063 15.401 13.468 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.814 16.552 14.053 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -6.507 17.002 13.821 1.00 0.00 H new ATOM 695 N ARG A 144 -6.136 9.250 12.588 1.00 0.00 N ATOM 696 CA ARG A 144 -5.745 8.069 11.766 1.00 0.00 C ATOM 697 C ARG A 144 -4.364 7.578 12.206 1.00 0.00 C ATOM 698 O ARG A 144 -4.062 6.402 12.126 1.00 0.00 O ATOM 699 CB ARG A 144 -5.702 8.465 10.289 1.00 0.00 C ATOM 700 CG ARG A 144 -5.474 7.218 9.434 1.00 0.00 C ATOM 701 CD ARG A 144 -5.461 7.608 7.955 1.00 0.00 C ATOM 702 NE ARG A 144 -4.952 6.466 7.145 1.00 0.00 N ATOM 703 CZ ARG A 144 -5.770 5.526 6.756 1.00 0.00 C ATOM 704 NH1 ARG A 144 -6.629 5.761 5.802 1.00 0.00 N ATOM 705 NH2 ARG A 144 -5.728 4.350 7.320 1.00 0.00 N ATOM 0 H ARG A 144 -6.110 10.144 12.097 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.475 7.272 11.904 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.636 8.949 10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.904 9.187 10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.529 6.746 9.705 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.261 6.487 9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -6.466 7.879 7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -4.830 8.484 7.804 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.964 6.419 6.894 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -6.661 6.680 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -7.268 5.026 5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -5.056 4.165 8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -6.367 3.616 7.016 1.00 0.00 H new ATOM 719 N ASP A 145 -3.527 8.470 12.678 1.00 0.00 N ATOM 720 CA ASP A 145 -2.163 8.060 13.133 1.00 0.00 C ATOM 721 C ASP A 145 -2.296 7.061 14.285 1.00 0.00 C ATOM 722 O ASP A 145 -1.479 6.174 14.448 1.00 0.00 O ATOM 723 CB ASP A 145 -1.391 9.293 13.611 1.00 0.00 C ATOM 724 CG ASP A 145 -2.217 10.041 14.658 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.375 9.514 15.747 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.677 11.129 14.354 1.00 0.00 O ATOM 0 H ASP A 145 -3.731 9.465 12.768 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.625 7.596 12.306 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.433 8.993 14.035 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -1.175 9.949 12.768 1.00 0.00 H new ATOM 731 N LEU A 146 -3.329 7.199 15.075 1.00 0.00 N ATOM 732 CA LEU A 146 -3.541 6.262 16.213 1.00 0.00 C ATOM 733 C LEU A 146 -3.950 4.892 15.670 1.00 0.00 C ATOM 734 O LEU A 146 -3.400 3.875 16.043 1.00 0.00 O ATOM 735 CB LEU A 146 -4.657 6.801 17.108 1.00 0.00 C ATOM 736 CG LEU A 146 -4.057 7.691 18.197 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.175 8.474 18.890 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.334 6.820 19.226 1.00 0.00 C ATOM 0 H LEU A 146 -4.038 7.926 14.978 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.620 6.169 16.788 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.372 7.369 16.513 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.205 5.975 17.561 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.349 8.388 17.747 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.748 9.109 19.666 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -5.692 9.095 18.158 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -5.882 7.777 19.340 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -2.906 7.454 20.003 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.042 6.124 19.675 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.538 6.261 18.734 1.00 0.00 H new ATOM 750 N LEU A 147 -4.916 4.869 14.788 1.00 0.00 N ATOM 751 CA LEU A 147 -5.390 3.576 14.199 1.00 0.00 C ATOM 752 C LEU A 147 -4.208 2.800 13.602 1.00 0.00 C ATOM 753 O LEU A 147 -4.165 1.585 13.655 1.00 0.00 O ATOM 754 CB LEU A 147 -6.411 3.870 13.098 1.00 0.00 C ATOM 755 CG LEU A 147 -7.440 2.741 13.037 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.549 3.114 12.051 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.758 1.454 12.570 1.00 0.00 C ATOM 0 H LEU A 147 -5.403 5.698 14.446 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.849 2.974 14.983 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.909 4.819 13.294 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.906 3.968 12.137 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.869 2.588 14.027 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.283 2.309 12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.036 4.032 12.381 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -8.119 3.267 11.061 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -7.491 0.649 12.526 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -6.329 1.608 11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.967 1.187 13.271 1.00 0.00 H new ATOM 769 N ILE A 148 -3.252 3.495 13.036 1.00 0.00 N ATOM 770 CA ILE A 148 -2.072 2.803 12.438 1.00 0.00 C ATOM 771 C ILE A 148 -1.254 2.151 13.556 1.00 0.00 C ATOM 772 O ILE A 148 -0.902 0.989 13.482 1.00 0.00 O ATOM 773 CB ILE A 148 -1.203 3.819 11.691 1.00 0.00 C ATOM 774 CG1 ILE A 148 -2.054 4.546 10.648 1.00 0.00 C ATOM 775 CG2 ILE A 148 -0.052 3.093 10.988 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.407 5.889 10.305 1.00 0.00 C ATOM 0 H ILE A 148 -3.239 4.512 12.963 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.411 2.040 11.738 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.798 4.540 12.402 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.147 3.935 9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.062 4.704 11.032 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.565 3.818 10.457 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.556 2.572 11.728 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.456 2.372 10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.014 6.406 9.562 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.337 6.500 11.205 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.408 5.720 9.903 1.00 0.00 H new ATOM 788 N ARG A 149 -0.959 2.892 14.594 1.00 0.00 N ATOM 789 CA ARG A 149 -0.169 2.327 15.730 1.00 0.00 C ATOM 790 C ARG A 149 -0.915 1.133 16.340 1.00 0.00 C ATOM 791 O ARG A 149 -0.320 0.272 16.958 1.00 0.00 O ATOM 792 CB ARG A 149 0.022 3.408 16.798 1.00 0.00 C ATOM 793 CG ARG A 149 1.005 2.913 17.861 1.00 0.00 C ATOM 794 CD ARG A 149 0.230 2.343 19.052 1.00 0.00 C ATOM 795 NE ARG A 149 1.000 2.581 20.305 1.00 0.00 N ATOM 796 CZ ARG A 149 0.407 2.484 21.463 1.00 0.00 C ATOM 797 NH1 ARG A 149 -0.404 3.425 21.861 1.00 0.00 N ATOM 798 NH2 ARG A 149 0.625 1.446 22.223 1.00 0.00 N ATOM 0 H ARG A 149 -1.233 3.868 14.704 1.00 0.00 H new ATOM 0 HA ARG A 149 0.802 1.993 15.365 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.397 4.323 16.340 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.935 3.651 17.259 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.658 2.148 17.439 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.645 3.732 18.189 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.751 2.814 19.120 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.062 1.275 18.913 1.00 0.00 H new ATOM 0 HE ARG A 149 1.991 2.820 20.258 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -0.574 4.236 21.267 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -0.868 3.349 22.766 1.00 0.00 H new ATOM 0 HH21 ARG A 149 1.259 0.710 21.912 1.00 0.00 H new ATOM 0 HH22 ARG A 149 0.161 1.370 23.128 1.00 0.00 H new ATOM 812 N HIS A 150 -2.212 1.081 16.171 1.00 0.00 N ATOM 813 CA HIS A 150 -3.008 -0.047 16.736 1.00 0.00 C ATOM 814 C HIS A 150 -2.699 -1.333 15.951 1.00 0.00 C ATOM 815 O HIS A 150 -2.662 -2.412 16.511 1.00 0.00 O ATOM 816 CB HIS A 150 -4.505 0.313 16.630 1.00 0.00 C ATOM 817 CG HIS A 150 -5.373 -0.880 16.947 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.368 -1.500 18.186 1.00 0.00 N ATOM 819 CD2 HIS A 150 -6.272 -1.580 16.183 1.00 0.00 C ATOM 820 CE1 HIS A 150 -6.238 -2.525 18.130 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.817 -2.619 16.930 1.00 0.00 N ATOM 0 H HIS A 150 -2.756 1.778 15.662 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.751 -0.214 17.782 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.736 1.128 17.316 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.726 0.671 15.624 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.519 -1.358 15.156 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.443 -3.191 18.955 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.509 -3.304 16.627 1.00 0.00 H new ATOM 829 N ALA A 151 -2.493 -1.228 14.662 1.00 0.00 N ATOM 830 CA ALA A 151 -2.203 -2.447 13.850 1.00 0.00 C ATOM 831 C ALA A 151 -0.692 -2.723 13.799 1.00 0.00 C ATOM 832 O ALA A 151 -0.273 -3.787 13.383 1.00 0.00 O ATOM 833 CB ALA A 151 -2.733 -2.250 12.427 1.00 0.00 C ATOM 0 H ALA A 151 -2.513 -0.353 14.139 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.696 -3.300 14.316 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.522 -3.140 11.834 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.810 -2.083 12.460 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.246 -1.387 11.973 1.00 0.00 H new ATOM 839 N GLN A 152 0.127 -1.784 14.211 1.00 0.00 N ATOM 840 CA GLN A 152 1.604 -2.010 14.174 1.00 0.00 C ATOM 841 C GLN A 152 2.073 -2.625 15.497 1.00 0.00 C ATOM 842 O GLN A 152 3.033 -3.372 15.536 1.00 0.00 O ATOM 843 CB GLN A 152 2.318 -0.672 13.955 1.00 0.00 C ATOM 844 CG GLN A 152 1.765 0.017 12.696 1.00 0.00 C ATOM 845 CD GLN A 152 2.909 0.326 11.726 1.00 0.00 C ATOM 846 OE1 GLN A 152 3.916 0.887 12.112 1.00 0.00 O ATOM 847 NE2 GLN A 152 2.796 -0.018 10.472 1.00 0.00 N ATOM 0 H GLN A 152 -0.164 -0.875 14.570 1.00 0.00 H new ATOM 0 HA GLN A 152 1.841 -2.693 13.358 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.178 -0.029 14.824 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.391 -0.835 13.849 1.00 0.00 H new ATOM 0 HG2 GLN A 152 1.030 -0.626 12.212 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.251 0.938 12.971 1.00 0.00 H new ATOM 0 HE21 GLN A 152 1.952 -0.489 10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 152 3.552 0.184 9.818 1.00 0.00 H new ATOM 856 N LYS A 153 1.415 -2.300 16.578 1.00 0.00 N ATOM 857 CA LYS A 153 1.820 -2.842 17.908 1.00 0.00 C ATOM 858 C LYS A 153 1.153 -4.197 18.163 1.00 0.00 C ATOM 859 O LYS A 153 1.736 -5.075 18.773 1.00 0.00 O ATOM 860 CB LYS A 153 1.382 -1.849 18.990 1.00 0.00 C ATOM 861 CG LYS A 153 2.585 -1.035 19.475 1.00 0.00 C ATOM 862 CD LYS A 153 3.165 -0.211 18.323 1.00 0.00 C ATOM 863 CE LYS A 153 4.685 -0.125 18.470 1.00 0.00 C ATOM 864 NZ LYS A 153 5.023 0.416 19.817 1.00 0.00 N ATOM 0 H LYS A 153 0.608 -1.677 16.597 1.00 0.00 H new ATOM 0 HA LYS A 153 2.901 -2.980 17.928 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.617 -1.181 18.594 1.00 0.00 H new ATOM 0 HB3 LYS A 153 0.934 -2.385 19.827 1.00 0.00 H new ATOM 0 HG2 LYS A 153 2.283 -0.375 20.288 1.00 0.00 H new ATOM 0 HG3 LYS A 153 3.348 -1.703 19.874 1.00 0.00 H new ATOM 0 HD2 LYS A 153 2.907 -0.669 17.368 1.00 0.00 H new ATOM 0 HD3 LYS A 153 2.732 0.789 18.324 1.00 0.00 H new ATOM 0 HE2 LYS A 153 5.130 -1.111 18.340 1.00 0.00 H new ATOM 0 HE3 LYS A 153 5.101 0.517 17.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 6.005 0.760 19.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 4.381 1.201 20.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 4.920 -0.335 20.529 1.00 0.00 H new ATOM 878 N ILE A 154 -0.067 -4.366 17.723 1.00 0.00 N ATOM 879 CA ILE A 154 -0.779 -5.656 17.965 1.00 0.00 C ATOM 880 C ILE A 154 -0.908 -6.446 16.657 1.00 0.00 C ATOM 881 O ILE A 154 -0.521 -7.598 16.584 1.00 0.00 O ATOM 882 CB ILE A 154 -2.169 -5.360 18.545 1.00 0.00 C ATOM 883 CG1 ILE A 154 -2.012 -4.568 19.848 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.903 -6.672 18.838 1.00 0.00 C ATOM 885 CD1 ILE A 154 -2.072 -3.067 19.559 1.00 0.00 C ATOM 0 H ILE A 154 -0.601 -3.667 17.207 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.209 -6.258 18.673 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.744 -4.780 17.823 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.801 -4.844 20.548 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -1.063 -4.818 20.323 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.888 -6.454 19.249 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -3.013 -7.241 17.915 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.330 -7.256 19.558 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.960 -2.512 20.491 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -1.267 -2.796 18.876 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.032 -2.822 19.104 1.00 0.00 H new ATOM 897 N HIS A 155 -1.455 -5.845 15.630 1.00 0.00 N ATOM 898 CA HIS A 155 -1.615 -6.572 14.333 1.00 0.00 C ATOM 899 C HIS A 155 -0.279 -6.641 13.572 1.00 0.00 C ATOM 900 O HIS A 155 -0.214 -7.235 12.514 1.00 0.00 O ATOM 901 CB HIS A 155 -2.656 -5.853 13.472 1.00 0.00 C ATOM 902 CG HIS A 155 -3.939 -5.716 14.249 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.501 -6.779 14.940 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.782 -4.650 14.451 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.632 -6.333 15.520 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.849 -5.042 15.254 1.00 0.00 N ATOM 0 H HIS A 155 -1.797 -4.884 15.633 1.00 0.00 H new ATOM 0 HA HIS A 155 -1.944 -7.589 14.545 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.287 -4.869 13.181 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -2.832 -6.412 12.553 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -4.126 -7.726 14.998 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.638 -3.658 14.048 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.284 -6.945 16.126 1.00 0.00 H new