USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 134 CYS SG : rot 70:sc= 0.898 USER MOD Set 1.2: A 137 CYS SG : rot -57:sc= 2.07 USER MOD Set 1.3: A 150 HIS : no HD1:sc= 1.02 K(o=-0.53,f=-12!) USER MOD Set 1.4: A 155 HIS : no HD1:sc= -4.52! K(o=-0.53!,f=1) USER MOD Set 2.1: A 106 CYS SG : rot 35:sc= -0.0637 USER MOD Set 2.2: A 109 CYS SG : rot 180:sc= 0.55 USER MOD Set 2.3: A 122 HIS : no HD1:sc= -1.63! C(o=-1.2!,f=-14!) USER MOD Set 2.4: A 126 HIS : no HD1:sc= -0.0949! C(o=-1.2!,f=-13!) USER MOD Single : A 110 THR OG1 : rot 2:sc= 0.348 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=-0.00049) 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) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -0.001 X(o=-0.001,f=0) USER MOD Single : A 153 LYS NZ :NH3+ 177:sc= 0.174 (180deg=0.171) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 104 -32.304 -4.674 32.107 1.00 0.00 N ATOM 37 CA PHE A 104 -31.318 -3.669 31.620 1.00 0.00 C ATOM 38 C PHE A 104 -31.342 -3.635 30.089 1.00 0.00 C ATOM 39 O PHE A 104 -30.371 -3.952 29.427 1.00 0.00 O ATOM 40 CB PHE A 104 -29.919 -4.045 32.103 1.00 0.00 C ATOM 41 CG PHE A 104 -29.790 -3.734 33.575 1.00 0.00 C ATOM 42 CD1 PHE A 104 -30.588 -4.409 34.506 1.00 0.00 C ATOM 43 CD2 PHE A 104 -28.872 -2.770 34.009 1.00 0.00 C ATOM 44 CE1 PHE A 104 -30.469 -4.121 35.871 1.00 0.00 C ATOM 45 CE2 PHE A 104 -28.753 -2.482 35.373 1.00 0.00 C ATOM 46 CZ PHE A 104 -29.550 -3.157 36.305 1.00 0.00 C ATOM 0 HA PHE A 104 -31.579 -2.685 32.010 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -29.736 -5.105 31.928 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -29.168 -3.494 31.537 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -31.296 -5.153 34.171 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -28.256 -2.249 33.291 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -31.085 -4.642 36.589 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -28.045 -1.738 35.707 1.00 0.00 H new ATOM 0 HZ PHE A 104 -29.456 -2.935 37.358 1.00 0.00 H new ATOM 56 N VAL A 105 -32.453 -3.246 29.531 1.00 0.00 N ATOM 57 CA VAL A 105 -32.578 -3.173 28.041 1.00 0.00 C ATOM 58 C VAL A 105 -31.554 -2.167 27.500 1.00 0.00 C ATOM 59 O VAL A 105 -31.407 -1.075 28.017 1.00 0.00 O ATOM 60 CB VAL A 105 -34.019 -2.751 27.664 1.00 0.00 C ATOM 61 CG1 VAL A 105 -34.454 -1.556 28.515 1.00 0.00 C ATOM 62 CG2 VAL A 105 -34.112 -2.369 26.177 1.00 0.00 C ATOM 0 H VAL A 105 -33.290 -2.972 30.045 1.00 0.00 H new ATOM 0 HA VAL A 105 -32.379 -4.149 27.598 1.00 0.00 H new ATOM 0 HB VAL A 105 -34.676 -3.600 27.851 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -35.469 -1.266 28.243 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -34.425 -1.831 29.569 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -33.778 -0.719 28.340 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -35.135 -2.077 25.940 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -33.440 -1.536 25.973 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -33.827 -3.224 25.563 1.00 0.00 H new ATOM 72 N CYS A 106 -30.854 -2.535 26.459 1.00 0.00 N ATOM 73 CA CYS A 106 -29.840 -1.615 25.868 1.00 0.00 C ATOM 74 C CYS A 106 -30.542 -0.368 25.328 1.00 0.00 C ATOM 75 O CYS A 106 -31.660 -0.434 24.849 1.00 0.00 O ATOM 76 CB CYS A 106 -29.112 -2.327 24.725 1.00 0.00 C ATOM 77 SG CYS A 106 -27.735 -1.299 24.154 1.00 0.00 S ATOM 0 H CYS A 106 -30.942 -3.437 25.991 1.00 0.00 H new ATOM 0 HA CYS A 106 -29.119 -1.325 26.632 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -28.742 -3.295 25.062 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -29.802 -2.519 23.903 1.00 0.00 H new ATOM 0 HG CYS A 106 -27.219 -0.665 25.165 1.00 0.00 H new ATOM 82 N GLU A 107 -29.898 0.769 25.407 1.00 0.00 N ATOM 83 CA GLU A 107 -30.523 2.030 24.905 1.00 0.00 C ATOM 84 C GLU A 107 -30.150 2.265 23.435 1.00 0.00 C ATOM 85 O GLU A 107 -30.164 3.388 22.964 1.00 0.00 O ATOM 86 CB GLU A 107 -30.028 3.209 25.746 1.00 0.00 C ATOM 87 CG GLU A 107 -30.608 3.109 27.157 1.00 0.00 C ATOM 88 CD GLU A 107 -30.741 4.510 27.756 1.00 0.00 C ATOM 89 OE1 GLU A 107 -31.329 5.357 27.105 1.00 0.00 O ATOM 90 OE2 GLU A 107 -30.253 4.711 28.857 1.00 0.00 O ATOM 0 H GLU A 107 -28.963 0.878 25.799 1.00 0.00 H new ATOM 0 HA GLU A 107 -31.607 1.942 24.985 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -28.939 3.207 25.788 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -30.328 4.150 25.284 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -31.582 2.621 27.127 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -29.962 2.494 27.784 1.00 0.00 H new ATOM 97 N VAL A 108 -29.814 1.226 22.707 1.00 0.00 N ATOM 98 CA VAL A 108 -29.439 1.406 21.272 1.00 0.00 C ATOM 99 C VAL A 108 -30.238 0.434 20.403 1.00 0.00 C ATOM 100 O VAL A 108 -30.820 0.821 19.406 1.00 0.00 O ATOM 101 CB VAL A 108 -27.944 1.136 21.098 1.00 0.00 C ATOM 102 CG1 VAL A 108 -27.527 1.474 19.664 1.00 0.00 C ATOM 103 CG2 VAL A 108 -27.150 2.004 22.076 1.00 0.00 C ATOM 0 H VAL A 108 -29.784 0.264 23.045 1.00 0.00 H new ATOM 0 HA VAL A 108 -29.663 2.428 20.967 1.00 0.00 H new ATOM 0 HB VAL A 108 -27.741 0.084 21.298 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -26.461 1.282 19.540 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -28.091 0.856 18.966 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -27.731 2.526 19.464 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -26.084 1.811 21.951 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -27.354 3.056 21.877 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -27.445 1.764 23.098 1.00 0.00 H new ATOM 113 N CYS A 109 -30.268 -0.821 20.769 1.00 0.00 N ATOM 114 CA CYS A 109 -31.028 -1.820 19.960 1.00 0.00 C ATOM 115 C CYS A 109 -32.254 -2.319 20.735 1.00 0.00 C ATOM 116 O CYS A 109 -32.859 -3.305 20.364 1.00 0.00 O ATOM 117 CB CYS A 109 -30.118 -3.007 19.623 1.00 0.00 C ATOM 118 SG CYS A 109 -29.439 -3.716 21.146 1.00 0.00 S ATOM 0 H CYS A 109 -29.799 -1.197 21.593 1.00 0.00 H new ATOM 0 HA CYS A 109 -31.365 -1.341 19.041 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -30.681 -3.765 19.078 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -29.308 -2.682 18.970 1.00 0.00 H new ATOM 0 HG CYS A 109 -28.670 -4.722 20.851 1.00 0.00 H new ATOM 123 N THR A 110 -32.629 -1.648 21.806 1.00 0.00 N ATOM 124 CA THR A 110 -33.825 -2.083 22.608 1.00 0.00 C ATOM 125 C THR A 110 -33.734 -3.584 22.929 1.00 0.00 C ATOM 126 O THR A 110 -34.661 -4.338 22.700 1.00 0.00 O ATOM 127 CB THR A 110 -35.115 -1.800 21.819 1.00 0.00 C ATOM 128 OG1 THR A 110 -35.227 -2.722 20.746 1.00 0.00 O ATOM 129 CG2 THR A 110 -35.095 -0.370 21.265 1.00 0.00 C ATOM 0 H THR A 110 -32.156 -0.816 22.159 1.00 0.00 H new ATOM 0 HA THR A 110 -33.843 -1.522 23.542 1.00 0.00 H new ATOM 0 HB THR A 110 -35.969 -1.909 22.487 1.00 0.00 H new ATOM 0 HG1 THR A 110 -34.476 -3.351 20.776 1.00 0.00 H new ATOM 0 HG21 THR A 110 -36.013 -0.182 20.709 1.00 0.00 H new ATOM 0 HG22 THR A 110 -35.019 0.339 22.090 1.00 0.00 H new ATOM 0 HG23 THR A 110 -34.238 -0.249 20.602 1.00 0.00 H new ATOM 137 N ARG A 111 -32.616 -4.015 23.453 1.00 0.00 N ATOM 138 CA ARG A 111 -32.445 -5.460 23.787 1.00 0.00 C ATOM 139 C ARG A 111 -33.167 -5.763 25.101 1.00 0.00 C ATOM 140 O ARG A 111 -34.022 -5.013 25.531 1.00 0.00 O ATOM 141 CB ARG A 111 -30.952 -5.777 23.928 1.00 0.00 C ATOM 142 CG ARG A 111 -30.666 -7.166 23.354 1.00 0.00 C ATOM 143 CD ARG A 111 -30.345 -7.047 21.863 1.00 0.00 C ATOM 144 NE ARG A 111 -30.491 -8.380 21.213 1.00 0.00 N ATOM 145 CZ ARG A 111 -30.919 -8.463 19.984 1.00 0.00 C ATOM 146 NH1 ARG A 111 -30.378 -7.725 19.053 1.00 0.00 N ATOM 147 NH2 ARG A 111 -31.888 -9.284 19.683 1.00 0.00 N ATOM 0 H ARG A 111 -31.811 -3.426 23.665 1.00 0.00 H new ATOM 0 HA ARG A 111 -32.868 -6.075 22.993 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -30.360 -5.027 23.404 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -30.659 -5.739 24.977 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -29.829 -7.624 23.881 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -31.529 -7.816 23.500 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -31.014 -6.327 21.393 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -29.330 -6.674 21.728 1.00 0.00 H new ATOM 0 HE ARG A 111 -30.256 -9.228 21.729 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -29.620 -7.083 19.287 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -30.713 -7.790 18.092 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -32.311 -9.861 20.409 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -32.222 -9.348 18.721 1.00 0.00 H new ATOM 161 N ALA A 112 -32.834 -6.856 25.742 1.00 0.00 N ATOM 162 CA ALA A 112 -33.505 -7.199 27.029 1.00 0.00 C ATOM 163 C ALA A 112 -32.549 -8.000 27.914 1.00 0.00 C ATOM 164 O ALA A 112 -32.434 -9.205 27.786 1.00 0.00 O ATOM 165 CB ALA A 112 -34.757 -8.030 26.747 1.00 0.00 C ATOM 0 H ALA A 112 -32.128 -7.523 25.429 1.00 0.00 H new ATOM 0 HA ALA A 112 -33.786 -6.280 27.543 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -35.247 -8.280 27.688 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -35.442 -7.456 26.123 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -34.476 -8.947 26.229 1.00 0.00 H new ATOM 171 N PHE A 113 -31.871 -7.338 28.815 1.00 0.00 N ATOM 172 CA PHE A 113 -30.926 -8.051 29.723 1.00 0.00 C ATOM 173 C PHE A 113 -31.470 -8.000 31.150 1.00 0.00 C ATOM 174 O PHE A 113 -32.593 -7.593 31.379 1.00 0.00 O ATOM 175 CB PHE A 113 -29.554 -7.376 29.675 1.00 0.00 C ATOM 176 CG PHE A 113 -29.032 -7.394 28.258 1.00 0.00 C ATOM 177 CD1 PHE A 113 -28.559 -8.589 27.703 1.00 0.00 C ATOM 178 CD2 PHE A 113 -29.018 -6.216 27.501 1.00 0.00 C ATOM 179 CE1 PHE A 113 -28.074 -8.608 26.391 1.00 0.00 C ATOM 180 CE2 PHE A 113 -28.533 -6.236 26.187 1.00 0.00 C ATOM 181 CZ PHE A 113 -28.061 -7.431 25.633 1.00 0.00 C ATOM 0 H PHE A 113 -31.932 -6.330 28.961 1.00 0.00 H new ATOM 0 HA PHE A 113 -30.825 -9.088 29.403 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -29.630 -6.349 30.033 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -28.859 -7.894 30.336 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -28.569 -9.497 28.288 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -29.381 -5.293 27.930 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -27.710 -9.530 25.963 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -28.523 -5.329 25.601 1.00 0.00 H new ATOM 0 HZ PHE A 113 -27.686 -7.445 24.620 1.00 0.00 H new ATOM 191 N ALA A 114 -30.681 -8.411 32.108 1.00 0.00 N ATOM 192 CA ALA A 114 -31.147 -8.390 33.526 1.00 0.00 C ATOM 193 C ALA A 114 -30.078 -7.753 34.421 1.00 0.00 C ATOM 194 O ALA A 114 -30.390 -7.017 35.339 1.00 0.00 O ATOM 195 CB ALA A 114 -31.418 -9.820 33.994 1.00 0.00 C ATOM 0 H ALA A 114 -29.733 -8.761 31.969 1.00 0.00 H new ATOM 0 HA ALA A 114 -32.063 -7.803 33.592 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -31.758 -9.806 35.029 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -32.187 -10.269 33.365 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -30.502 -10.406 33.921 1.00 0.00 H new ATOM 201 N ARG A 115 -28.823 -8.030 34.166 1.00 0.00 N ATOM 202 CA ARG A 115 -27.736 -7.445 35.005 1.00 0.00 C ATOM 203 C ARG A 115 -26.923 -6.450 34.174 1.00 0.00 C ATOM 204 O ARG A 115 -27.092 -6.345 32.974 1.00 0.00 O ATOM 205 CB ARG A 115 -26.819 -8.562 35.505 1.00 0.00 C ATOM 206 CG ARG A 115 -27.630 -9.552 36.343 1.00 0.00 C ATOM 207 CD ARG A 115 -27.749 -9.034 37.777 1.00 0.00 C ATOM 208 NE ARG A 115 -27.704 -10.182 38.727 1.00 0.00 N ATOM 209 CZ ARG A 115 -27.220 -10.018 39.927 1.00 0.00 C ATOM 210 NH1 ARG A 115 -27.906 -9.359 40.822 1.00 0.00 N ATOM 211 NH2 ARG A 115 -26.051 -10.510 40.233 1.00 0.00 N ATOM 0 H ARG A 115 -28.506 -8.638 33.411 1.00 0.00 H new ATOM 0 HA ARG A 115 -28.177 -6.928 35.857 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -26.360 -9.075 34.660 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -26.009 -8.142 36.102 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -28.622 -9.684 35.910 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -27.147 -10.529 36.338 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -26.938 -8.339 37.992 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -28.682 -8.483 37.900 1.00 0.00 H new ATOM 0 HE ARG A 115 -28.052 -11.096 38.438 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -28.819 -8.973 40.582 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -27.528 -9.230 41.761 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -25.515 -11.023 39.534 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -25.673 -10.381 41.172 1.00 0.00 H new ATOM 225 N GLN A 116 -26.041 -5.721 34.809 1.00 0.00 N ATOM 226 CA GLN A 116 -25.206 -4.728 34.071 1.00 0.00 C ATOM 227 C GLN A 116 -23.914 -5.390 33.581 1.00 0.00 C ATOM 228 O GLN A 116 -23.297 -4.930 32.641 1.00 0.00 O ATOM 229 CB GLN A 116 -24.860 -3.564 35.003 1.00 0.00 C ATOM 230 CG GLN A 116 -24.451 -2.346 34.172 1.00 0.00 C ATOM 231 CD GLN A 116 -24.916 -1.069 34.873 1.00 0.00 C ATOM 232 OE1 GLN A 116 -24.401 -0.711 35.914 1.00 0.00 O ATOM 233 NE2 GLN A 116 -25.875 -0.362 34.343 1.00 0.00 N ATOM 0 H GLN A 116 -25.863 -5.772 35.812 1.00 0.00 H new ATOM 0 HA GLN A 116 -25.765 -4.358 33.212 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -25.718 -3.319 35.629 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -24.048 -3.850 35.672 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -23.369 -2.328 34.042 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -24.891 -2.408 33.177 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -26.307 -0.663 33.469 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -26.193 0.492 34.802 1.00 0.00 H new ATOM 242 N GLU A 117 -23.499 -6.463 34.210 1.00 0.00 N ATOM 243 CA GLU A 117 -22.246 -7.153 33.779 1.00 0.00 C ATOM 244 C GLU A 117 -22.408 -7.656 32.342 1.00 0.00 C ATOM 245 O GLU A 117 -21.503 -7.554 31.536 1.00 0.00 O ATOM 246 CB GLU A 117 -21.972 -8.338 34.708 1.00 0.00 C ATOM 247 CG GLU A 117 -20.617 -8.957 34.362 1.00 0.00 C ATOM 248 CD GLU A 117 -20.233 -9.981 35.432 1.00 0.00 C ATOM 249 OE1 GLU A 117 -20.194 -9.608 36.593 1.00 0.00 O ATOM 250 OE2 GLU A 117 -19.986 -11.120 35.073 1.00 0.00 O ATOM 0 H GLU A 117 -23.976 -6.890 35.004 1.00 0.00 H new ATOM 0 HA GLU A 117 -21.411 -6.454 33.826 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -21.978 -8.008 35.747 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -22.761 -9.083 34.606 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -20.664 -9.437 33.385 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -19.856 -8.179 34.299 1.00 0.00 H new ATOM 257 N HIS A 118 -23.555 -8.196 32.018 1.00 0.00 N ATOM 258 CA HIS A 118 -23.785 -8.707 30.635 1.00 0.00 C ATOM 259 C HIS A 118 -24.004 -7.528 29.686 1.00 0.00 C ATOM 260 O HIS A 118 -23.628 -7.573 28.529 1.00 0.00 O ATOM 261 CB HIS A 118 -25.020 -9.610 30.620 1.00 0.00 C ATOM 262 CG HIS A 118 -24.623 -11.011 30.997 1.00 0.00 C ATOM 263 ND1 HIS A 118 -24.903 -11.549 32.243 1.00 0.00 N ATOM 264 CD2 HIS A 118 -23.969 -11.996 30.301 1.00 0.00 C ATOM 265 CE1 HIS A 118 -24.423 -12.805 32.259 1.00 0.00 C ATOM 266 NE2 HIS A 118 -23.843 -13.129 31.099 1.00 0.00 N ATOM 0 H HIS A 118 -24.344 -8.305 32.655 1.00 0.00 H new ATOM 0 HA HIS A 118 -22.915 -9.279 30.311 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -25.768 -9.233 31.317 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -25.476 -9.604 29.630 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -23.607 -11.906 29.288 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -24.497 -13.471 33.106 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -23.403 -14.015 30.852 1.00 0.00 H new ATOM 274 N LEU A 119 -24.612 -6.473 30.168 1.00 0.00 N ATOM 275 CA LEU A 119 -24.862 -5.286 29.307 1.00 0.00 C ATOM 276 C LEU A 119 -23.530 -4.664 28.883 1.00 0.00 C ATOM 277 O LEU A 119 -23.426 -4.060 27.833 1.00 0.00 O ATOM 278 CB LEU A 119 -25.676 -4.252 30.097 1.00 0.00 C ATOM 279 CG LEU A 119 -26.714 -3.591 29.185 1.00 0.00 C ATOM 280 CD1 LEU A 119 -27.497 -2.539 29.980 1.00 0.00 C ATOM 281 CD2 LEU A 119 -26.011 -2.913 28.006 1.00 0.00 C ATOM 0 H LEU A 119 -24.946 -6.386 31.128 1.00 0.00 H new ATOM 0 HA LEU A 119 -25.415 -5.593 28.419 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -26.174 -4.735 30.938 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -25.011 -3.495 30.513 1.00 0.00 H new ATOM 0 HG LEU A 119 -27.398 -4.352 28.810 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -28.236 -2.068 29.331 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -28.003 -3.018 30.818 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -26.810 -1.781 30.356 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -26.754 -2.444 27.360 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -25.324 -2.154 28.380 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -25.454 -3.658 27.437 1.00 0.00 H new ATOM 293 N LYS A 120 -22.515 -4.801 29.698 1.00 0.00 N ATOM 294 CA LYS A 120 -21.187 -4.213 29.356 1.00 0.00 C ATOM 295 C LYS A 120 -20.640 -4.873 28.088 1.00 0.00 C ATOM 296 O LYS A 120 -20.240 -4.203 27.154 1.00 0.00 O ATOM 297 CB LYS A 120 -20.214 -4.444 30.514 1.00 0.00 C ATOM 298 CG LYS A 120 -20.279 -3.258 31.479 1.00 0.00 C ATOM 299 CD LYS A 120 -19.127 -3.350 32.480 1.00 0.00 C ATOM 300 CE LYS A 120 -17.866 -2.742 31.865 1.00 0.00 C ATOM 301 NZ LYS A 120 -17.021 -2.155 32.943 1.00 0.00 N ATOM 0 H LYS A 120 -22.550 -5.297 30.589 1.00 0.00 H new ATOM 0 HA LYS A 120 -21.300 -3.143 29.183 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -20.467 -5.366 31.037 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -19.200 -4.561 30.133 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -20.219 -2.321 30.925 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -21.233 -3.256 32.006 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -19.387 -2.823 33.398 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -18.947 -4.391 32.749 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -17.307 -3.506 31.325 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -18.136 -1.974 31.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.163 -1.741 32.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.556 -1.414 33.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -16.753 -2.899 33.618 1.00 0.00 H new ATOM 315 N ARG A 121 -20.618 -6.181 28.050 1.00 0.00 N ATOM 316 CA ARG A 121 -20.095 -6.893 26.844 1.00 0.00 C ATOM 317 C ARG A 121 -21.013 -6.624 25.648 1.00 0.00 C ATOM 318 O ARG A 121 -20.582 -6.642 24.510 1.00 0.00 O ATOM 319 CB ARG A 121 -20.042 -8.398 27.120 1.00 0.00 C ATOM 320 CG ARG A 121 -21.420 -8.890 27.570 1.00 0.00 C ATOM 321 CD ARG A 121 -21.461 -10.418 27.509 1.00 0.00 C ATOM 322 NE ARG A 121 -21.459 -10.858 26.085 1.00 0.00 N ATOM 323 CZ ARG A 121 -21.831 -12.071 25.776 1.00 0.00 C ATOM 324 NH1 ARG A 121 -23.093 -12.400 25.829 1.00 0.00 N ATOM 325 NH2 ARG A 121 -20.941 -12.954 25.415 1.00 0.00 N ATOM 0 H ARG A 121 -20.940 -6.788 28.804 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.092 -6.530 26.618 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -19.730 -8.931 26.222 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -19.300 -8.610 27.890 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.626 -8.550 28.585 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.195 -8.469 26.930 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.601 -10.837 28.031 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.353 -10.789 28.014 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.167 -10.212 25.352 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.789 -11.710 26.112 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.384 -13.347 25.588 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -19.955 -12.697 25.374 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -21.231 -13.902 25.174 1.00 0.00 H new ATOM 339 N HIS A 122 -22.274 -6.377 25.898 1.00 0.00 N ATOM 340 CA HIS A 122 -23.228 -6.108 24.780 1.00 0.00 C ATOM 341 C HIS A 122 -23.087 -4.643 24.323 1.00 0.00 C ATOM 342 O HIS A 122 -23.518 -4.286 23.242 1.00 0.00 O ATOM 343 CB HIS A 122 -24.663 -6.385 25.272 1.00 0.00 C ATOM 344 CG HIS A 122 -25.678 -5.939 24.245 1.00 0.00 C ATOM 345 ND1 HIS A 122 -26.009 -6.716 23.147 1.00 0.00 N ATOM 346 CD2 HIS A 122 -26.433 -4.797 24.139 1.00 0.00 C ATOM 347 CE1 HIS A 122 -26.926 -6.039 22.433 1.00 0.00 C ATOM 348 NE2 HIS A 122 -27.220 -4.863 22.993 1.00 0.00 N ATOM 0 H HIS A 122 -22.685 -6.350 26.831 1.00 0.00 H new ATOM 0 HA HIS A 122 -23.008 -6.758 23.933 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -24.785 -7.450 25.472 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -24.837 -5.862 26.213 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -26.418 -3.974 24.838 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -27.370 -6.402 21.518 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -27.880 -4.163 22.654 1.00 0.00 H new ATOM 356 N TYR A 123 -22.496 -3.795 25.133 1.00 0.00 N ATOM 357 CA TYR A 123 -22.341 -2.363 24.739 1.00 0.00 C ATOM 358 C TYR A 123 -20.942 -2.137 24.159 1.00 0.00 C ATOM 359 O TYR A 123 -20.348 -1.091 24.341 1.00 0.00 O ATOM 360 CB TYR A 123 -22.539 -1.474 25.973 1.00 0.00 C ATOM 361 CG TYR A 123 -23.360 -0.260 25.605 1.00 0.00 C ATOM 362 CD1 TYR A 123 -22.931 0.592 24.580 1.00 0.00 C ATOM 363 CD2 TYR A 123 -24.552 0.013 26.289 1.00 0.00 C ATOM 364 CE1 TYR A 123 -23.693 1.716 24.241 1.00 0.00 C ATOM 365 CE2 TYR A 123 -25.313 1.137 25.949 1.00 0.00 C ATOM 366 CZ TYR A 123 -24.883 1.988 24.924 1.00 0.00 C ATOM 367 OH TYR A 123 -25.634 3.097 24.589 1.00 0.00 O ATOM 0 H TYR A 123 -22.116 -4.035 26.048 1.00 0.00 H new ATOM 0 HA TYR A 123 -23.086 -2.109 23.985 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -23.039 -2.037 26.761 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -21.571 -1.164 26.368 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -22.013 0.382 24.051 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -24.884 -0.644 27.079 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -23.362 2.374 23.451 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -26.231 1.348 26.477 1.00 0.00 H new ATOM 0 HH TYR A 123 -26.430 3.138 25.160 1.00 0.00 H new ATOM 377 N ARG A 124 -20.416 -3.110 23.459 1.00 0.00 N ATOM 378 CA ARG A 124 -19.058 -2.959 22.861 1.00 0.00 C ATOM 379 C ARG A 124 -19.178 -2.902 21.337 1.00 0.00 C ATOM 380 O ARG A 124 -18.409 -2.236 20.670 1.00 0.00 O ATOM 381 CB ARG A 124 -18.188 -4.153 23.261 1.00 0.00 C ATOM 382 CG ARG A 124 -16.728 -3.709 23.362 1.00 0.00 C ATOM 383 CD ARG A 124 -16.424 -3.276 24.798 1.00 0.00 C ATOM 384 NE ARG A 124 -15.999 -4.460 25.596 1.00 0.00 N ATOM 385 CZ ARG A 124 -15.542 -4.300 26.808 1.00 0.00 C ATOM 386 NH1 ARG A 124 -16.224 -3.604 27.675 1.00 0.00 N ATOM 387 NH2 ARG A 124 -14.403 -4.836 27.151 1.00 0.00 N ATOM 0 H ARG A 124 -20.871 -4.004 23.276 1.00 0.00 H new ATOM 0 HA ARG A 124 -18.600 -2.039 23.225 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -18.523 -4.557 24.216 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -18.286 -4.951 22.525 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -16.068 -4.525 23.070 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -16.539 -2.884 22.675 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -15.638 -2.520 24.802 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -17.307 -2.820 25.246 1.00 0.00 H new ATOM 0 HE ARG A 124 -16.065 -5.396 25.195 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -17.114 -3.185 27.406 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -15.867 -3.479 28.622 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.870 -5.380 26.472 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -14.045 -4.711 28.098 1.00 0.00 H new ATOM 401 N SER A 125 -20.140 -3.597 20.783 1.00 0.00 N ATOM 402 CA SER A 125 -20.320 -3.589 19.303 1.00 0.00 C ATOM 403 C SER A 125 -21.449 -2.624 18.930 1.00 0.00 C ATOM 404 O SER A 125 -22.135 -2.812 17.944 1.00 0.00 O ATOM 405 CB SER A 125 -20.677 -4.998 18.826 1.00 0.00 C ATOM 406 OG SER A 125 -21.986 -5.327 19.272 1.00 0.00 O ATOM 0 H SER A 125 -20.809 -4.171 21.296 1.00 0.00 H new ATOM 0 HA SER A 125 -19.394 -3.266 18.827 1.00 0.00 H new ATOM 0 HB2 SER A 125 -20.627 -5.050 17.738 1.00 0.00 H new ATOM 0 HB3 SER A 125 -19.957 -5.719 19.213 1.00 0.00 H new ATOM 0 HG SER A 125 -22.219 -6.229 18.967 1.00 0.00 H new ATOM 412 N HIS A 126 -21.642 -1.593 19.714 1.00 0.00 N ATOM 413 CA HIS A 126 -22.723 -0.610 19.413 1.00 0.00 C ATOM 414 C HIS A 126 -22.096 0.720 18.987 1.00 0.00 C ATOM 415 O HIS A 126 -22.125 1.084 17.826 1.00 0.00 O ATOM 416 CB HIS A 126 -23.580 -0.393 20.661 1.00 0.00 C ATOM 417 CG HIS A 126 -24.716 -1.379 20.667 1.00 0.00 C ATOM 418 ND1 HIS A 126 -25.461 -1.653 19.531 1.00 0.00 N ATOM 419 CD2 HIS A 126 -25.246 -2.163 21.662 1.00 0.00 C ATOM 420 CE1 HIS A 126 -26.392 -2.566 19.867 1.00 0.00 C ATOM 421 NE2 HIS A 126 -26.304 -2.911 21.155 1.00 0.00 N ATOM 0 H HIS A 126 -21.095 -1.391 20.551 1.00 0.00 H new ATOM 0 HA HIS A 126 -23.349 -0.993 18.607 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -22.973 -0.516 21.558 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -23.968 0.625 20.676 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -24.895 -2.194 22.683 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -27.121 -2.970 19.180 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -26.887 -3.579 21.658 1.00 0.00 H new ATOM 508 N TYR A 132 -12.036 6.799 12.326 1.00 0.00 N ATOM 509 CA TYR A 132 -11.063 5.746 11.909 1.00 0.00 C ATOM 510 C TYR A 132 -11.254 4.489 12.782 1.00 0.00 C ATOM 511 O TYR A 132 -10.505 4.278 13.717 1.00 0.00 O ATOM 512 CB TYR A 132 -9.639 6.281 12.078 1.00 0.00 C ATOM 513 CG TYR A 132 -9.468 7.525 11.240 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.303 7.417 9.854 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.477 8.786 11.848 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.145 8.570 9.076 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.320 9.940 11.069 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.154 9.831 9.683 1.00 0.00 C ATOM 519 OH TYR A 132 -9.001 10.967 8.916 1.00 0.00 O ATOM 0 HA TYR A 132 -11.232 5.484 10.865 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.445 6.506 13.127 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -8.916 5.523 11.776 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.298 6.444 9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.605 8.869 12.917 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.016 8.486 8.007 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -9.327 10.913 11.537 1.00 0.00 H new ATOM 0 HH TYR A 132 -9.032 11.758 9.493 1.00 0.00 H new ATOM 529 N PRO A 133 -12.248 3.679 12.459 1.00 0.00 N ATOM 530 CA PRO A 133 -12.526 2.444 13.218 1.00 0.00 C ATOM 531 C PRO A 133 -11.541 1.338 12.821 1.00 0.00 C ATOM 532 O PRO A 133 -11.100 1.265 11.689 1.00 0.00 O ATOM 533 CB PRO A 133 -13.953 2.077 12.803 1.00 0.00 C ATOM 534 CG PRO A 133 -14.205 2.763 11.440 1.00 0.00 C ATOM 535 CD PRO A 133 -13.183 3.909 11.327 1.00 0.00 C ATOM 0 HA PRO A 133 -12.421 2.572 14.295 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.067 0.996 12.720 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.673 2.417 13.547 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.084 2.054 10.621 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.224 3.146 11.382 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.662 3.885 10.370 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.667 4.883 11.402 1.00 0.00 H new ATOM 543 N CYS A 134 -11.197 0.478 13.747 1.00 0.00 N ATOM 544 CA CYS A 134 -10.243 -0.628 13.436 1.00 0.00 C ATOM 545 C CYS A 134 -10.975 -1.737 12.676 1.00 0.00 C ATOM 546 O CYS A 134 -12.026 -2.191 13.085 1.00 0.00 O ATOM 547 CB CYS A 134 -9.678 -1.196 14.743 1.00 0.00 C ATOM 548 SG CYS A 134 -8.356 -2.375 14.370 1.00 0.00 S ATOM 0 H CYS A 134 -11.538 0.495 14.708 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.429 -0.243 12.822 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.294 -0.389 15.366 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.469 -1.688 15.310 1.00 0.00 H new ATOM 0 HG CYS A 134 -7.323 -1.736 13.906 1.00 0.00 H new ATOM 553 N GLY A 135 -10.423 -2.174 11.572 1.00 0.00 N ATOM 554 CA GLY A 135 -11.077 -3.257 10.778 1.00 0.00 C ATOM 555 C GLY A 135 -10.408 -4.593 11.094 1.00 0.00 C ATOM 556 O GLY A 135 -10.279 -5.450 10.240 1.00 0.00 O ATOM 0 H GLY A 135 -9.545 -1.826 11.186 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.140 -3.305 11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -10.997 -3.041 9.713 1.00 0.00 H new ATOM 560 N LEU A 136 -9.979 -4.772 12.317 1.00 0.00 N ATOM 561 CA LEU A 136 -9.311 -6.051 12.702 1.00 0.00 C ATOM 562 C LEU A 136 -9.860 -6.522 14.050 1.00 0.00 C ATOM 563 O LEU A 136 -10.215 -7.673 14.219 1.00 0.00 O ATOM 564 CB LEU A 136 -7.797 -5.828 12.818 1.00 0.00 C ATOM 565 CG LEU A 136 -7.280 -5.058 11.598 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.807 -4.701 11.806 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.420 -5.921 10.342 1.00 0.00 C ATOM 0 H LEU A 136 -10.063 -4.086 13.067 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.507 -6.806 11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.573 -5.273 13.729 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.286 -6.788 12.895 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.865 -4.146 11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.439 -4.153 10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.705 -4.081 12.696 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.226 -5.614 11.932 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.051 -5.368 9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -6.840 -6.836 10.463 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.469 -6.174 10.190 1.00 0.00 H new ATOM 579 N CYS A 137 -9.931 -5.636 15.009 1.00 0.00 N ATOM 580 CA CYS A 137 -10.456 -6.013 16.356 1.00 0.00 C ATOM 581 C CYS A 137 -11.788 -5.300 16.636 1.00 0.00 C ATOM 582 O CYS A 137 -12.435 -5.558 17.633 1.00 0.00 O ATOM 583 CB CYS A 137 -9.431 -5.614 17.419 1.00 0.00 C ATOM 584 SG CYS A 137 -9.080 -3.838 17.309 1.00 0.00 S ATOM 0 H CYS A 137 -9.646 -4.661 14.917 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.626 -7.089 16.383 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.811 -5.857 18.411 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.512 -6.184 17.281 1.00 0.00 H new ATOM 0 HG CYS A 137 -8.667 -3.551 16.110 1.00 0.00 H new ATOM 589 N ASN A 138 -12.196 -4.398 15.773 1.00 0.00 N ATOM 590 CA ASN A 138 -13.479 -3.653 15.983 1.00 0.00 C ATOM 591 C ASN A 138 -13.307 -2.675 17.145 1.00 0.00 C ATOM 592 O ASN A 138 -13.757 -2.918 18.249 1.00 0.00 O ATOM 593 CB ASN A 138 -14.629 -4.625 16.289 1.00 0.00 C ATOM 594 CG ASN A 138 -15.968 -3.922 16.055 1.00 0.00 C ATOM 595 OD1 ASN A 138 -16.590 -3.450 16.986 1.00 0.00 O ATOM 596 ND2 ASN A 138 -16.440 -3.832 14.842 1.00 0.00 N ATOM 0 H ASN A 138 -11.690 -4.144 14.925 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.724 -3.108 15.072 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.553 -5.507 15.653 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -14.563 -4.970 17.321 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.331 -3.365 14.675 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -15.918 -4.228 14.061 1.00 0.00 H new ATOM 603 N ARG A 139 -12.654 -1.569 16.899 1.00 0.00 N ATOM 604 CA ARG A 139 -12.438 -0.559 17.974 1.00 0.00 C ATOM 605 C ARG A 139 -12.860 0.820 17.462 1.00 0.00 C ATOM 606 O ARG A 139 -13.411 0.946 16.384 1.00 0.00 O ATOM 607 CB ARG A 139 -10.955 -0.532 18.356 1.00 0.00 C ATOM 608 CG ARG A 139 -10.697 -1.536 19.484 1.00 0.00 C ATOM 609 CD ARG A 139 -10.702 -0.807 20.829 1.00 0.00 C ATOM 610 NE ARG A 139 -10.540 -1.799 21.931 1.00 0.00 N ATOM 611 CZ ARG A 139 -9.437 -2.488 22.031 1.00 0.00 C ATOM 612 NH1 ARG A 139 -8.380 -1.953 22.578 1.00 0.00 N ATOM 613 NH2 ARG A 139 -9.390 -3.714 21.583 1.00 0.00 N ATOM 0 H ARG A 139 -12.259 -1.322 15.992 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.032 -0.821 18.849 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.341 -0.778 17.489 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.669 0.470 18.675 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.462 -2.312 19.476 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.739 -2.032 19.331 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.894 -0.076 20.862 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -11.635 -0.257 20.954 1.00 0.00 H new ATOM 0 HE ARG A 139 -11.292 -1.939 22.606 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -8.416 -0.995 22.928 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -7.518 -2.492 22.656 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.216 -4.133 21.155 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -8.527 -4.253 21.661 1.00 0.00 H new ATOM 627 N ALA A 140 -12.608 1.853 18.226 1.00 0.00 N ATOM 628 CA ALA A 140 -12.995 3.226 17.788 1.00 0.00 C ATOM 629 C ALA A 140 -11.908 4.222 18.200 1.00 0.00 C ATOM 630 O ALA A 140 -11.686 4.459 19.373 1.00 0.00 O ATOM 631 CB ALA A 140 -14.324 3.611 18.445 1.00 0.00 C ATOM 0 H ALA A 140 -12.150 1.803 19.136 1.00 0.00 H new ATOM 0 HA ALA A 140 -13.106 3.246 16.704 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.610 4.614 18.127 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -15.096 2.902 18.147 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.213 3.592 19.529 1.00 0.00 H new ATOM 637 N PHE A 141 -11.230 4.804 17.242 1.00 0.00 N ATOM 638 CA PHE A 141 -10.154 5.785 17.569 1.00 0.00 C ATOM 639 C PHE A 141 -10.604 7.191 17.163 1.00 0.00 C ATOM 640 O PHE A 141 -11.682 7.374 16.630 1.00 0.00 O ATOM 641 CB PHE A 141 -8.880 5.418 16.807 1.00 0.00 C ATOM 642 CG PHE A 141 -8.336 4.113 17.338 1.00 0.00 C ATOM 643 CD1 PHE A 141 -7.494 4.109 18.457 1.00 0.00 C ATOM 644 CD2 PHE A 141 -8.674 2.907 16.713 1.00 0.00 C ATOM 645 CE1 PHE A 141 -6.990 2.900 18.949 1.00 0.00 C ATOM 646 CE2 PHE A 141 -8.170 1.698 17.205 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.327 1.694 18.323 1.00 0.00 C ATOM 0 H PHE A 141 -11.377 4.640 16.246 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.956 5.762 18.641 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.093 5.329 15.742 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.136 6.207 16.919 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -7.234 5.039 18.940 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -9.324 2.910 15.851 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.341 2.897 19.812 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -8.431 0.768 16.722 1.00 0.00 H new ATOM 0 HZ PHE A 141 -6.937 0.761 18.702 1.00 0.00 H new ATOM 657 N THR A 142 -9.787 8.182 17.415 1.00 0.00 N ATOM 658 CA THR A 142 -10.162 9.579 17.051 1.00 0.00 C ATOM 659 C THR A 142 -9.175 10.133 16.018 1.00 0.00 C ATOM 660 O THR A 142 -9.542 10.912 15.158 1.00 0.00 O ATOM 661 CB THR A 142 -10.131 10.459 18.304 1.00 0.00 C ATOM 662 OG1 THR A 142 -8.887 10.288 18.968 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.272 10.058 19.240 1.00 0.00 C ATOM 0 H THR A 142 -8.874 8.082 17.859 1.00 0.00 H new ATOM 0 HA THR A 142 -11.166 9.580 16.626 1.00 0.00 H new ATOM 0 HB THR A 142 -10.251 11.504 18.019 1.00 0.00 H new ATOM 0 HG1 THR A 142 -8.864 10.851 19.769 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.249 10.685 20.131 1.00 0.00 H new ATOM 0 HG22 THR A 142 -12.225 10.190 18.728 1.00 0.00 H new ATOM 0 HG23 THR A 142 -11.156 9.013 19.528 1.00 0.00 H new ATOM 671 N ARG A 143 -7.929 9.740 16.098 1.00 0.00 N ATOM 672 CA ARG A 143 -6.916 10.248 15.125 1.00 0.00 C ATOM 673 C ARG A 143 -6.534 9.134 14.148 1.00 0.00 C ATOM 674 O ARG A 143 -6.892 7.985 14.332 1.00 0.00 O ATOM 675 CB ARG A 143 -5.670 10.709 15.883 1.00 0.00 C ATOM 676 CG ARG A 143 -5.907 12.108 16.452 1.00 0.00 C ATOM 677 CD ARG A 143 -5.782 13.145 15.334 1.00 0.00 C ATOM 678 NE ARG A 143 -5.617 14.501 15.930 1.00 0.00 N ATOM 679 CZ ARG A 143 -6.164 15.537 15.355 1.00 0.00 C ATOM 680 NH1 ARG A 143 -5.545 16.144 14.379 1.00 0.00 N ATOM 681 NH2 ARG A 143 -7.329 15.966 15.755 1.00 0.00 N ATOM 0 H ARG A 143 -7.570 9.089 16.796 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.338 11.086 14.569 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.443 10.011 16.689 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.808 10.717 15.216 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -6.897 12.164 16.905 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -5.184 12.319 17.240 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -4.928 12.909 14.698 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -6.668 13.120 14.700 1.00 0.00 H new ATOM 0 HE ARG A 143 -5.077 14.619 16.787 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -4.634 15.809 14.066 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -5.972 16.954 13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -7.813 15.492 16.517 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -7.756 16.776 15.305 1.00 0.00 H new ATOM 695 N ARG A 144 -5.807 9.468 13.112 1.00 0.00 N ATOM 696 CA ARG A 144 -5.392 8.438 12.115 1.00 0.00 C ATOM 697 C ARG A 144 -4.088 7.783 12.574 1.00 0.00 C ATOM 698 O ARG A 144 -3.896 6.591 12.421 1.00 0.00 O ATOM 699 CB ARG A 144 -5.178 9.101 10.752 1.00 0.00 C ATOM 700 CG ARG A 144 -5.043 8.023 9.675 1.00 0.00 C ATOM 701 CD ARG A 144 -5.278 8.645 8.296 1.00 0.00 C ATOM 702 NE ARG A 144 -4.122 9.516 7.942 1.00 0.00 N ATOM 703 CZ ARG A 144 -3.158 9.049 7.194 1.00 0.00 C ATOM 704 NH1 ARG A 144 -3.424 8.575 6.008 1.00 0.00 N ATOM 705 NH2 ARG A 144 -1.930 9.058 7.634 1.00 0.00 N ATOM 0 H ARG A 144 -5.482 10.414 12.914 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.171 7.680 12.030 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.016 9.759 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.282 9.722 10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.051 7.573 9.718 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -5.763 7.224 9.853 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -5.400 7.862 7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -6.199 9.228 8.300 1.00 0.00 H new ATOM 0 HE ARG A 144 -4.083 10.476 8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -4.385 8.569 5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -2.671 8.210 5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -1.723 9.429 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -1.177 8.694 7.051 1.00 0.00 H new ATOM 719 N ASP A 145 -3.193 8.556 13.136 1.00 0.00 N ATOM 720 CA ASP A 145 -1.896 7.990 13.614 1.00 0.00 C ATOM 721 C ASP A 145 -2.158 6.930 14.690 1.00 0.00 C ATOM 722 O ASP A 145 -1.366 6.029 14.887 1.00 0.00 O ATOM 723 CB ASP A 145 -1.037 9.110 14.202 1.00 0.00 C ATOM 724 CG ASP A 145 -1.833 9.856 15.275 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.152 9.244 16.281 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.110 11.027 15.072 1.00 0.00 O ATOM 0 H ASP A 145 -3.306 9.559 13.285 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.373 7.530 12.775 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.126 8.695 14.633 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -0.732 9.800 13.415 1.00 0.00 H new ATOM 731 N LEU A 146 -3.262 7.035 15.386 1.00 0.00 N ATOM 732 CA LEU A 146 -3.582 6.041 16.451 1.00 0.00 C ATOM 733 C LEU A 146 -3.911 4.689 15.814 1.00 0.00 C ATOM 734 O LEU A 146 -3.369 3.668 16.190 1.00 0.00 O ATOM 735 CB LEU A 146 -4.792 6.530 17.250 1.00 0.00 C ATOM 736 CG LEU A 146 -4.317 7.369 18.437 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.527 7.975 19.151 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.544 6.479 19.414 1.00 0.00 C ATOM 0 H LEU A 146 -3.957 7.771 15.260 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.722 5.930 17.112 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.447 7.123 16.611 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.375 5.680 17.603 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.668 8.168 18.079 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.188 8.573 19.997 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -6.079 8.608 18.457 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.176 7.176 19.508 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.205 7.076 20.260 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.194 5.680 19.771 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.682 6.046 18.907 1.00 0.00 H new ATOM 750 N LEU A 147 -4.804 4.678 14.858 1.00 0.00 N ATOM 751 CA LEU A 147 -5.191 3.398 14.191 1.00 0.00 C ATOM 752 C LEU A 147 -3.966 2.750 13.536 1.00 0.00 C ATOM 753 O LEU A 147 -3.811 1.543 13.562 1.00 0.00 O ATOM 754 CB LEU A 147 -6.247 3.681 13.121 1.00 0.00 C ATOM 755 CG LEU A 147 -7.102 2.432 12.901 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.299 2.781 12.016 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.261 1.351 12.216 1.00 0.00 C ATOM 0 H LEU A 147 -5.285 5.507 14.508 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.596 2.717 14.940 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.877 4.516 13.429 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.765 3.973 12.188 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.457 2.062 13.863 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.908 1.890 11.860 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.899 3.550 12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.945 3.152 11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.870 0.461 12.059 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.906 1.721 11.254 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.408 1.100 12.846 1.00 0.00 H new ATOM 769 N ILE A 148 -3.104 3.537 12.942 1.00 0.00 N ATOM 770 CA ILE A 148 -1.894 2.961 12.277 1.00 0.00 C ATOM 771 C ILE A 148 -1.022 2.254 13.320 1.00 0.00 C ATOM 772 O ILE A 148 -0.730 1.081 13.198 1.00 0.00 O ATOM 773 CB ILE A 148 -1.092 4.079 11.606 1.00 0.00 C ATOM 774 CG1 ILE A 148 -1.990 4.827 10.616 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.096 3.476 10.848 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.505 6.272 10.465 1.00 0.00 C ATOM 0 H ILE A 148 -3.185 4.552 12.889 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.207 2.241 11.521 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.728 4.768 12.368 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.976 4.326 9.648 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -3.022 4.815 10.966 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.666 4.273 10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.738 2.939 11.546 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.270 2.786 10.087 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -2.147 6.800 9.760 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.542 6.771 11.433 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.480 6.275 10.094 1.00 0.00 H new ATOM 788 N ARG A 149 -0.606 2.961 14.338 1.00 0.00 N ATOM 789 CA ARG A 149 0.250 2.339 15.394 1.00 0.00 C ATOM 790 C ARG A 149 -0.505 1.188 16.075 1.00 0.00 C ATOM 791 O ARG A 149 0.094 0.334 16.700 1.00 0.00 O ATOM 792 CB ARG A 149 0.617 3.400 16.436 1.00 0.00 C ATOM 793 CG ARG A 149 1.605 2.812 17.450 1.00 0.00 C ATOM 794 CD ARG A 149 0.859 2.412 18.724 1.00 0.00 C ATOM 795 NE ARG A 149 1.774 2.537 19.894 1.00 0.00 N ATOM 796 CZ ARG A 149 1.348 2.238 21.091 1.00 0.00 C ATOM 797 NH1 ARG A 149 0.417 2.961 21.651 1.00 0.00 N ATOM 798 NH2 ARG A 149 1.853 1.217 21.727 1.00 0.00 N ATOM 0 H ARG A 149 -0.823 3.947 14.485 1.00 0.00 H new ATOM 0 HA ARG A 149 1.156 1.944 14.935 1.00 0.00 H new ATOM 0 HB2 ARG A 149 1.058 4.267 15.945 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.281 3.746 16.948 1.00 0.00 H new ATOM 0 HG2 ARG A 149 2.106 1.943 17.023 1.00 0.00 H new ATOM 0 HG3 ARG A 149 2.379 3.543 17.684 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.015 3.049 18.862 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.496 1.388 18.640 1.00 0.00 H new ATOM 0 HE ARG A 149 2.733 2.856 19.759 1.00 0.00 H new ATOM 0 HH11 ARG A 149 0.023 3.759 21.153 1.00 0.00 H new ATOM 0 HH12 ARG A 149 0.084 2.728 22.586 1.00 0.00 H new ATOM 0 HH21 ARG A 149 2.581 0.652 21.289 1.00 0.00 H new ATOM 0 HH22 ARG A 149 1.520 0.983 22.662 1.00 0.00 H new ATOM 812 N HIS A 150 -1.812 1.162 15.965 1.00 0.00 N ATOM 813 CA HIS A 150 -2.604 0.073 16.608 1.00 0.00 C ATOM 814 C HIS A 150 -2.496 -1.203 15.757 1.00 0.00 C ATOM 815 O HIS A 150 -2.479 -2.301 16.281 1.00 0.00 O ATOM 816 CB HIS A 150 -4.073 0.531 16.721 1.00 0.00 C ATOM 817 CG HIS A 150 -4.966 -0.609 17.148 1.00 0.00 C ATOM 818 ND1 HIS A 150 -4.872 -1.200 18.398 1.00 0.00 N ATOM 819 CD2 HIS A 150 -5.968 -1.277 16.491 1.00 0.00 C ATOM 820 CE1 HIS A 150 -5.794 -2.180 18.453 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.489 -2.270 17.315 1.00 0.00 N ATOM 0 H HIS A 150 -2.364 1.852 15.455 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.220 -0.142 17.605 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.149 1.346 17.441 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.410 0.922 15.761 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -6.302 -1.064 15.486 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -5.952 -2.816 19.312 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.240 -2.925 17.097 1.00 0.00 H new ATOM 829 N ALA A 151 -2.433 -1.068 14.457 1.00 0.00 N ATOM 830 CA ALA A 151 -2.327 -2.276 13.585 1.00 0.00 C ATOM 831 C ALA A 151 -0.857 -2.629 13.335 1.00 0.00 C ATOM 832 O ALA A 151 -0.554 -3.697 12.844 1.00 0.00 O ATOM 833 CB ALA A 151 -3.022 -2.014 12.252 1.00 0.00 C ATOM 0 H ALA A 151 -2.450 -0.176 13.963 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.810 -3.113 14.090 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.942 -2.898 11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.074 -1.788 12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.548 -1.168 11.754 1.00 0.00 H new ATOM 839 N GLN A 152 0.058 -1.748 13.665 1.00 0.00 N ATOM 840 CA GLN A 152 1.502 -2.046 13.448 1.00 0.00 C ATOM 841 C GLN A 152 2.093 -2.698 14.705 1.00 0.00 C ATOM 842 O GLN A 152 3.125 -3.340 14.649 1.00 0.00 O ATOM 843 CB GLN A 152 2.255 -0.743 13.154 1.00 0.00 C ATOM 844 CG GLN A 152 1.545 0.039 12.037 1.00 0.00 C ATOM 845 CD GLN A 152 2.412 0.049 10.775 1.00 0.00 C ATOM 846 OE1 GLN A 152 2.023 -0.479 9.752 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.580 0.630 10.805 1.00 0.00 N ATOM 0 H GLN A 152 -0.138 -0.835 14.076 1.00 0.00 H new ATOM 0 HA GLN A 152 1.603 -2.728 12.604 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.309 -0.134 14.056 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.280 -0.966 12.857 1.00 0.00 H new ATOM 0 HG2 GLN A 152 0.578 -0.416 11.821 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.351 1.061 12.363 1.00 0.00 H new ATOM 0 HE21 GLN A 152 3.907 1.073 11.663 1.00 0.00 H new ATOM 0 HE22 GLN A 152 4.166 0.641 9.970 1.00 0.00 H new ATOM 856 N LYS A 153 1.459 -2.522 15.842 1.00 0.00 N ATOM 857 CA LYS A 153 1.994 -3.111 17.105 1.00 0.00 C ATOM 858 C LYS A 153 1.007 -4.130 17.682 1.00 0.00 C ATOM 859 O LYS A 153 1.399 -5.096 18.308 1.00 0.00 O ATOM 860 CB LYS A 153 2.202 -1.986 18.126 1.00 0.00 C ATOM 861 CG LYS A 153 3.668 -1.541 18.118 1.00 0.00 C ATOM 862 CD LYS A 153 4.407 -2.158 19.311 1.00 0.00 C ATOM 863 CE LYS A 153 5.167 -3.409 18.860 1.00 0.00 C ATOM 864 NZ LYS A 153 4.394 -4.624 19.242 1.00 0.00 N ATOM 0 H LYS A 153 0.592 -1.994 15.946 1.00 0.00 H new ATOM 0 HA LYS A 153 2.937 -3.614 16.891 1.00 0.00 H new ATOM 0 HB2 LYS A 153 1.555 -1.142 17.887 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.922 -2.330 19.122 1.00 0.00 H new ATOM 0 HG2 LYS A 153 4.145 -1.846 17.186 1.00 0.00 H new ATOM 0 HG3 LYS A 153 3.727 -0.454 18.165 1.00 0.00 H new ATOM 0 HD2 LYS A 153 5.101 -1.433 19.735 1.00 0.00 H new ATOM 0 HD3 LYS A 153 3.697 -2.416 20.096 1.00 0.00 H new ATOM 0 HE2 LYS A 153 5.319 -3.386 17.781 1.00 0.00 H new ATOM 0 HE3 LYS A 153 6.155 -3.433 19.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 4.884 -5.472 18.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 4.314 -4.673 20.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 3.443 -4.576 18.824 1.00 0.00 H new ATOM 878 N ILE A 154 -0.268 -3.904 17.503 1.00 0.00 N ATOM 879 CA ILE A 154 -1.285 -4.843 18.076 1.00 0.00 C ATOM 880 C ILE A 154 -1.887 -5.723 16.974 1.00 0.00 C ATOM 881 O ILE A 154 -2.983 -6.232 17.117 1.00 0.00 O ATOM 882 CB ILE A 154 -2.422 -4.063 18.775 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.955 -2.668 19.248 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.903 -4.858 19.990 1.00 0.00 C ATOM 885 CD1 ILE A 154 -0.689 -2.780 20.111 1.00 0.00 C ATOM 0 H ILE A 154 -0.651 -3.112 16.986 1.00 0.00 H new ATOM 0 HA ILE A 154 -0.778 -5.472 18.808 1.00 0.00 H new ATOM 0 HB ILE A 154 -3.227 -3.928 18.053 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -1.757 -2.034 18.384 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -2.749 -2.188 19.820 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.705 -4.313 20.487 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -3.272 -5.831 19.665 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -2.075 -4.998 20.684 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -0.379 -1.786 20.433 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.898 -3.395 20.986 1.00 0.00 H new ATOM 0 HD13 ILE A 154 0.110 -3.238 19.528 1.00 0.00 H new ATOM 897 N HIS A 155 -1.185 -5.913 15.884 1.00 0.00 N ATOM 898 CA HIS A 155 -1.727 -6.770 14.787 1.00 0.00 C ATOM 899 C HIS A 155 -0.577 -7.359 13.967 1.00 0.00 C ATOM 900 O HIS A 155 -0.498 -8.555 13.764 1.00 0.00 O ATOM 901 CB HIS A 155 -2.632 -5.934 13.882 1.00 0.00 C ATOM 902 CG HIS A 155 -3.981 -5.791 14.533 1.00 0.00 C ATOM 903 ND1 HIS A 155 -4.891 -6.834 14.581 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.583 -4.737 15.175 1.00 0.00 C ATOM 905 CE1 HIS A 155 -5.982 -6.390 15.233 1.00 0.00 C ATOM 906 NE2 HIS A 155 -5.846 -5.118 15.617 1.00 0.00 N ATOM 0 H HIS A 155 -0.263 -5.513 15.708 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.305 -7.585 15.223 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.190 -4.952 13.712 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -2.733 -6.411 12.907 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.143 -3.761 15.315 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.860 -6.989 15.422 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -6.523 -4.548 16.125 1.00 0.00 H new