USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 307 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 Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 150:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-1.4) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 108 -3.915 -3.172 -5.259 1.00 0.00 N ATOM 2 CA VAL A 108 -4.242 -3.143 -3.845 1.00 0.00 C ATOM 3 C VAL A 108 -3.106 -2.534 -3.020 1.00 0.00 C ATOM 4 O VAL A 108 -3.328 -1.632 -2.212 1.00 0.00 O ATOM 5 CB VAL A 108 -4.536 -4.581 -3.367 1.00 0.00 C ATOM 6 CG1 VAL A 108 -4.048 -4.820 -1.943 1.00 0.00 C ATOM 7 CG2 VAL A 108 -6.022 -4.884 -3.483 1.00 0.00 C ATOM 0 HA VAL A 108 -5.122 -2.516 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.984 -5.262 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.275 -5.844 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.971 -4.659 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.548 -4.128 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.214 -5.902 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.585 -4.183 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.333 -4.785 -4.523 1.00 0.00 H new ATOM 17 N ILE A 109 -1.893 -3.036 -3.227 1.00 0.00 N ATOM 18 CA ILE A 109 -0.728 -2.545 -2.500 1.00 0.00 C ATOM 19 C ILE A 109 -0.382 -1.129 -2.901 1.00 0.00 C ATOM 20 O ILE A 109 -0.547 -0.177 -2.137 1.00 0.00 O ATOM 21 CB ILE A 109 0.498 -3.456 -2.719 1.00 0.00 C ATOM 22 CG1 ILE A 109 0.134 -4.915 -2.436 1.00 0.00 C ATOM 23 CG2 ILE A 109 1.656 -3.014 -1.834 1.00 0.00 C ATOM 24 CD1 ILE A 109 0.916 -5.905 -3.271 1.00 0.00 C ATOM 0 H ILE A 109 -1.691 -3.782 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 109 -0.990 -2.556 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 109 0.810 -3.372 -3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.306 -5.126 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.931 -5.058 -2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 109 2.512 -3.668 -2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 109 1.930 -1.988 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 109 1.356 -3.070 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.606 -6.919 -3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.725 -5.720 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 109 1.981 -5.790 -3.069 1.00 0.00 H new ATOM 36 N CYS A 110 0.098 -1.020 -4.103 1.00 0.00 N ATOM 37 CA CYS A 110 0.496 0.260 -4.679 1.00 0.00 C ATOM 38 C CYS A 110 -0.398 0.627 -5.859 1.00 0.00 C ATOM 39 O CYS A 110 -0.581 -0.166 -6.781 1.00 0.00 O ATOM 40 CB CYS A 110 1.955 0.203 -5.142 1.00 0.00 C ATOM 41 SG CYS A 110 3.129 1.079 -4.057 1.00 0.00 S ATOM 0 H CYS A 110 0.231 -1.814 -4.729 1.00 0.00 H new ATOM 0 HA CYS A 110 0.390 1.023 -3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.259 -0.841 -5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 110 2.021 0.626 -6.144 1.00 0.00 H new ATOM 46 N ARG A 111 -0.943 1.839 -5.831 1.00 0.00 N ATOM 47 CA ARG A 111 -1.803 2.309 -6.908 1.00 0.00 C ATOM 48 C ARG A 111 -0.994 2.468 -8.189 1.00 0.00 C ATOM 49 O ARG A 111 -0.530 3.562 -8.510 1.00 0.00 O ATOM 50 CB ARG A 111 -2.457 3.638 -6.529 1.00 0.00 C ATOM 51 CG ARG A 111 -3.584 3.495 -5.518 1.00 0.00 C ATOM 52 CD ARG A 111 -4.815 4.288 -5.931 1.00 0.00 C ATOM 53 NE ARG A 111 -6.045 3.522 -5.748 1.00 0.00 N ATOM 54 CZ ARG A 111 -6.505 3.129 -4.562 1.00 0.00 C ATOM 55 NH1 ARG A 111 -5.841 3.429 -3.453 1.00 0.00 N ATOM 56 NH2 ARG A 111 -7.632 2.434 -4.486 1.00 0.00 N ATOM 0 H ARG A 111 -0.804 2.511 -5.076 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.589 1.572 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -1.697 4.304 -6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -2.846 4.112 -7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.847 2.443 -5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.242 3.837 -4.541 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.869 5.206 -5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.723 4.582 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.583 3.273 -6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.974 3.963 -3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.198 3.125 -2.547 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.146 2.201 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.985 2.133 -3.578 1.00 0.00 H new ATOM 70 N GLU A 112 -0.814 1.363 -8.906 1.00 0.00 N ATOM 71 CA GLU A 112 -0.043 1.369 -10.145 1.00 0.00 C ATOM 72 C GLU A 112 1.424 1.666 -9.850 1.00 0.00 C ATOM 73 O GLU A 112 1.970 2.675 -10.300 1.00 0.00 O ATOM 74 CB GLU A 112 -0.608 2.398 -11.130 1.00 0.00 C ATOM 75 CG GLU A 112 -1.574 1.805 -12.142 1.00 0.00 C ATOM 76 CD GLU A 112 -2.499 2.845 -12.742 1.00 0.00 C ATOM 77 OE1 GLU A 112 -2.108 3.481 -13.744 1.00 0.00 O ATOM 78 OE2 GLU A 112 -3.616 3.023 -12.212 1.00 0.00 O ATOM 0 H GLU A 112 -1.192 0.451 -8.650 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.117 0.382 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.117 3.183 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.218 2.871 -11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -1.009 1.323 -12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.169 1.029 -11.660 1.00 0.00 H new ATOM 85 N CYS A 113 2.052 0.784 -9.078 1.00 0.00 N ATOM 86 CA CYS A 113 3.452 0.946 -8.703 1.00 0.00 C ATOM 87 C CYS A 113 4.348 1.104 -9.930 1.00 0.00 C ATOM 88 O CYS A 113 4.760 2.214 -10.267 1.00 0.00 O ATOM 89 CB CYS A 113 3.919 -0.244 -7.861 1.00 0.00 C ATOM 90 SG CYS A 113 5.493 0.041 -6.992 1.00 0.00 S ATOM 0 H CYS A 113 1.611 -0.054 -8.699 1.00 0.00 H new ATOM 0 HA CYS A 113 3.531 1.857 -8.110 1.00 0.00 H new ATOM 0 HB2 CYS A 113 3.148 -0.483 -7.128 1.00 0.00 H new ATOM 0 HB3 CYS A 113 4.025 -1.115 -8.508 1.00 0.00 H new ATOM 95 N GLY A 114 4.652 -0.009 -10.595 1.00 0.00 N ATOM 96 CA GLY A 114 5.501 0.043 -11.770 1.00 0.00 C ATOM 97 C GLY A 114 5.709 -1.318 -12.406 1.00 0.00 C ATOM 98 O GLY A 114 5.251 -1.562 -13.522 1.00 0.00 O ATOM 0 H GLY A 114 4.326 -0.942 -10.341 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.058 0.717 -12.503 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.469 0.462 -11.495 1.00 0.00 H new ATOM 102 N LYS A 115 6.402 -2.208 -11.699 1.00 0.00 N ATOM 103 CA LYS A 115 6.665 -3.547 -12.217 1.00 0.00 C ATOM 104 C LYS A 115 7.245 -4.464 -11.137 1.00 0.00 C ATOM 105 O LYS A 115 6.643 -5.482 -10.800 1.00 0.00 O ATOM 106 CB LYS A 115 7.617 -3.476 -13.413 1.00 0.00 C ATOM 107 CG LYS A 115 6.925 -3.671 -14.752 1.00 0.00 C ATOM 108 CD LYS A 115 7.031 -5.110 -15.233 1.00 0.00 C ATOM 109 CE LYS A 115 5.691 -5.824 -15.161 1.00 0.00 C ATOM 110 NZ LYS A 115 5.477 -6.721 -16.332 1.00 0.00 N ATOM 0 H LYS A 115 6.789 -2.028 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 115 5.714 -3.970 -12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.119 -2.509 -13.410 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.389 -4.237 -13.298 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.875 -3.393 -14.663 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.370 -3.006 -15.492 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.397 -5.125 -16.259 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.762 -5.644 -14.626 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.639 -6.408 -14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.889 -5.087 -15.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 4.553 -7.190 -16.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.501 -6.160 -17.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.228 -7.440 -16.361 1.00 0.00 H new ATOM 124 N PRO A 116 8.431 -4.123 -10.590 1.00 0.00 N ATOM 125 CA PRO A 116 9.098 -4.924 -9.556 1.00 0.00 C ATOM 126 C PRO A 116 8.122 -5.565 -8.555 1.00 0.00 C ATOM 127 O PRO A 116 7.531 -6.601 -8.857 1.00 0.00 O ATOM 128 CB PRO A 116 10.020 -3.901 -8.898 1.00 0.00 C ATOM 129 CG PRO A 116 10.425 -3.012 -10.023 1.00 0.00 C ATOM 130 CD PRO A 116 9.231 -2.930 -10.944 1.00 0.00 C ATOM 0 HA PRO A 116 9.622 -5.788 -9.964 1.00 0.00 H new ATOM 0 HB2 PRO A 116 9.506 -3.345 -8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 116 10.883 -4.380 -8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 116 10.704 -2.024 -9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 116 11.293 -3.415 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 116 8.668 -2.010 -10.788 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.532 -2.946 -11.992 1.00 0.00 H new ATOM 138 N ASP A 117 7.948 -4.971 -7.367 1.00 0.00 N ATOM 139 CA ASP A 117 7.031 -5.541 -6.373 1.00 0.00 C ATOM 140 C ASP A 117 7.143 -4.829 -5.028 1.00 0.00 C ATOM 141 O ASP A 117 7.801 -3.796 -4.914 1.00 0.00 O ATOM 142 CB ASP A 117 7.305 -7.039 -6.187 1.00 0.00 C ATOM 143 CG ASP A 117 6.123 -7.897 -6.595 1.00 0.00 C ATOM 144 OD1 ASP A 117 5.565 -7.659 -7.686 1.00 0.00 O ATOM 145 OD2 ASP A 117 5.756 -8.807 -5.822 1.00 0.00 O ATOM 0 H ASP A 117 8.419 -4.115 -7.075 1.00 0.00 H new ATOM 0 HA ASP A 117 6.018 -5.401 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 117 8.177 -7.322 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 117 7.549 -7.234 -5.143 1.00 0.00 H new ATOM 150 N THR A 118 6.489 -5.391 -4.013 1.00 0.00 N ATOM 151 CA THR A 118 6.503 -4.814 -2.671 1.00 0.00 C ATOM 152 C THR A 118 6.858 -5.873 -1.629 1.00 0.00 C ATOM 153 O THR A 118 6.286 -6.963 -1.617 1.00 0.00 O ATOM 154 CB THR A 118 5.125 -4.234 -2.354 1.00 0.00 C ATOM 155 OG1 THR A 118 5.001 -3.963 -0.969 1.00 0.00 O ATOM 156 CG2 THR A 118 3.982 -5.145 -2.749 1.00 0.00 C ATOM 0 H THR A 118 5.942 -6.248 -4.095 1.00 0.00 H new ATOM 0 HA THR A 118 7.257 -4.027 -2.639 1.00 0.00 H new ATOM 0 HB THR A 118 5.056 -3.320 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.392 -3.206 -0.837 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.034 -4.670 -2.495 1.00 0.00 H new ATOM 0 HG22 THR A 118 4.019 -5.331 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 118 4.069 -6.091 -2.214 1.00 0.00 H new ATOM 164 N LYS A 119 7.767 -5.523 -0.725 1.00 0.00 N ATOM 165 CA LYS A 119 8.175 -6.432 0.345 1.00 0.00 C ATOM 166 C LYS A 119 8.083 -5.737 1.703 1.00 0.00 C ATOM 167 O LYS A 119 8.543 -4.609 1.866 1.00 0.00 O ATOM 168 CB LYS A 119 9.621 -6.867 0.089 1.00 0.00 C ATOM 169 CG LYS A 119 9.746 -8.292 -0.423 1.00 0.00 C ATOM 170 CD LYS A 119 11.201 -8.713 -0.550 1.00 0.00 C ATOM 171 CE LYS A 119 11.832 -8.957 0.812 1.00 0.00 C ATOM 172 NZ LYS A 119 13.313 -9.082 0.723 1.00 0.00 N ATOM 0 H LYS A 119 8.236 -4.617 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 119 7.514 -7.298 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.073 -6.189 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.190 -6.771 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.228 -8.970 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.256 -8.375 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.267 -9.620 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.760 -7.940 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.577 -8.137 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.416 -9.866 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.705 -9.248 1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.557 -9.881 0.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.712 -8.205 0.332 1.00 0.00 H new ATOM 186 N ILE A 120 7.565 -6.449 2.699 1.00 0.00 N ATOM 187 CA ILE A 120 7.469 -5.909 4.052 1.00 0.00 C ATOM 188 C ILE A 120 8.353 -6.703 5.011 1.00 0.00 C ATOM 189 O ILE A 120 8.330 -7.934 5.016 1.00 0.00 O ATOM 190 CB ILE A 120 6.011 -6.000 4.544 1.00 0.00 C ATOM 191 CG1 ILE A 120 5.058 -5.388 3.513 1.00 0.00 C ATOM 192 CG2 ILE A 120 5.861 -5.308 5.891 1.00 0.00 C ATOM 193 CD1 ILE A 120 4.006 -6.356 3.015 1.00 0.00 C ATOM 0 H ILE A 120 7.206 -7.398 2.596 1.00 0.00 H new ATOM 0 HA ILE A 120 7.799 -4.870 4.030 1.00 0.00 H new ATOM 0 HB ILE A 120 5.752 -7.052 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.564 -4.523 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 120 5.638 -5.025 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 120 4.826 -5.381 6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 120 6.512 -5.788 6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 120 6.137 -4.258 5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 120 3.366 -5.856 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 120 4.492 -7.210 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 120 3.402 -6.700 3.854 1.00 0.00 H new ATOM 205 N ILE A 121 9.070 -5.993 5.878 1.00 0.00 N ATOM 206 CA ILE A 121 9.922 -6.640 6.871 1.00 0.00 C ATOM 207 C ILE A 121 9.645 -6.070 8.254 1.00 0.00 C ATOM 208 O ILE A 121 9.580 -4.855 8.436 1.00 0.00 O ATOM 209 CB ILE A 121 11.402 -6.392 6.529 1.00 0.00 C ATOM 210 CG1 ILE A 121 12.317 -6.984 7.607 1.00 0.00 C ATOM 211 CG2 ILE A 121 11.669 -4.903 6.360 1.00 0.00 C ATOM 212 CD1 ILE A 121 12.220 -8.490 7.720 1.00 0.00 C ATOM 0 H ILE A 121 9.078 -4.974 5.913 1.00 0.00 H new ATOM 0 HA ILE A 121 9.708 -7.709 6.864 1.00 0.00 H new ATOM 0 HB ILE A 121 11.621 -6.891 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.349 -6.710 7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.067 -6.538 8.570 1.00 0.00 H new ATOM 0 HG21 ILE A 121 12.720 -4.747 6.119 1.00 0.00 H new ATOM 0 HG22 ILE A 121 11.049 -4.512 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.429 -4.383 7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 121 12.894 -8.840 8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 121 11.197 -8.771 7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 121 12.499 -8.945 6.770 1.00 0.00 H new ATOM 224 N LYS A 122 9.579 -6.948 9.244 1.00 0.00 N ATOM 225 CA LYS A 122 9.371 -6.517 10.623 1.00 0.00 C ATOM 226 C LYS A 122 10.439 -7.107 11.537 1.00 0.00 C ATOM 227 O LYS A 122 10.732 -8.302 11.480 1.00 0.00 O ATOM 228 CB LYS A 122 7.992 -6.991 11.082 1.00 0.00 C ATOM 229 CG LYS A 122 6.853 -6.492 10.206 1.00 0.00 C ATOM 230 CD LYS A 122 6.173 -7.635 9.467 1.00 0.00 C ATOM 231 CE LYS A 122 4.666 -7.439 9.404 1.00 0.00 C ATOM 232 NZ LYS A 122 4.002 -8.495 8.592 1.00 0.00 N ATOM 0 H LYS A 122 9.666 -7.957 9.122 1.00 0.00 H new ATOM 0 HA LYS A 122 9.436 -5.430 10.672 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.978 -8.081 11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 122 7.825 -6.657 12.106 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.121 -5.970 10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.237 -5.769 9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.574 -7.706 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.398 -8.577 9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.256 -7.447 10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.445 -6.461 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.976 -8.325 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.374 -8.472 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.191 -9.427 9.013 1.00 0.00 H new ATOM 246 N GLU A 123 10.965 -6.277 12.434 1.00 0.00 N ATOM 247 CA GLU A 123 11.967 -6.724 13.397 1.00 0.00 C ATOM 248 C GLU A 123 11.560 -6.283 14.796 1.00 0.00 C ATOM 249 O GLU A 123 11.181 -5.129 14.996 1.00 0.00 O ATOM 250 CB GLU A 123 13.313 -6.090 13.037 1.00 0.00 C ATOM 251 CG GLU A 123 14.360 -7.096 12.590 1.00 0.00 C ATOM 252 CD GLU A 123 15.684 -6.445 12.243 1.00 0.00 C ATOM 253 OE1 GLU A 123 16.324 -5.881 13.154 1.00 0.00 O ATOM 254 OE2 GLU A 123 16.080 -6.501 11.060 1.00 0.00 O ATOM 0 H GLU A 123 10.714 -5.292 12.514 1.00 0.00 H new ATOM 0 HA GLU A 123 12.047 -7.811 13.371 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.160 -5.360 12.242 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.691 -5.545 13.902 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.516 -7.828 13.382 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.988 -7.640 11.722 1.00 0.00 H new ATOM 261 N GLY A 124 11.707 -7.161 15.779 1.00 0.00 N ATOM 262 CA GLY A 124 11.378 -6.792 17.148 1.00 0.00 C ATOM 263 C GLY A 124 9.930 -6.347 17.315 1.00 0.00 C ATOM 264 O GLY A 124 9.006 -7.114 17.047 1.00 0.00 O ATOM 0 H GLY A 124 12.045 -8.116 15.658 1.00 0.00 H new ATOM 0 HA2 GLY A 124 11.569 -7.642 17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 124 12.039 -5.987 17.470 1.00 0.00 H new ATOM 268 N ARG A 125 9.734 -5.107 17.772 1.00 0.00 N ATOM 269 CA ARG A 125 8.386 -4.569 17.988 1.00 0.00 C ATOM 270 C ARG A 125 8.103 -3.363 17.089 1.00 0.00 C ATOM 271 O ARG A 125 7.232 -2.545 17.385 1.00 0.00 O ATOM 272 CB ARG A 125 8.207 -4.174 19.455 1.00 0.00 C ATOM 273 CG ARG A 125 9.178 -3.100 19.919 1.00 0.00 C ATOM 274 CD ARG A 125 9.653 -3.351 21.342 1.00 0.00 C ATOM 275 NE ARG A 125 9.133 -2.356 22.276 1.00 0.00 N ATOM 276 CZ ARG A 125 7.900 -2.383 22.778 1.00 0.00 C ATOM 277 NH1 ARG A 125 7.058 -3.351 22.439 1.00 0.00 N ATOM 278 NH2 ARG A 125 7.509 -1.439 23.624 1.00 0.00 N ATOM 0 H ARG A 125 10.488 -4.458 17.999 1.00 0.00 H new ATOM 0 HA ARG A 125 7.674 -5.353 17.729 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.187 -3.820 19.605 1.00 0.00 H new ATOM 0 HB3 ARG A 125 8.332 -5.059 20.079 1.00 0.00 H new ATOM 0 HG2 ARG A 125 10.037 -3.071 19.248 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.696 -2.124 19.863 1.00 0.00 H new ATOM 0 HD2 ARG A 125 9.338 -4.345 21.659 1.00 0.00 H new ATOM 0 HD3 ARG A 125 10.743 -3.338 21.368 1.00 0.00 H new ATOM 0 HE ARG A 125 9.751 -1.596 22.561 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.354 -4.080 21.790 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.115 -3.366 22.827 1.00 0.00 H new ATOM 0 HH21 ARG A 125 8.153 -0.693 23.889 1.00 0.00 H new ATOM 0 HH22 ARG A 125 6.565 -1.459 24.009 1.00 0.00 H new ATOM 292 N VAL A 126 8.837 -3.270 15.989 1.00 0.00 N ATOM 293 CA VAL A 126 8.688 -2.202 15.033 1.00 0.00 C ATOM 294 C VAL A 126 8.592 -2.807 13.638 1.00 0.00 C ATOM 295 O VAL A 126 9.380 -3.674 13.261 1.00 0.00 O ATOM 296 CB VAL A 126 9.915 -1.270 15.089 1.00 0.00 C ATOM 297 CG1 VAL A 126 11.194 -2.050 14.831 1.00 0.00 C ATOM 298 CG2 VAL A 126 9.768 -0.126 14.095 1.00 0.00 C ATOM 0 H VAL A 126 9.559 -3.946 15.740 1.00 0.00 H new ATOM 0 HA VAL A 126 7.790 -1.629 15.265 1.00 0.00 H new ATOM 0 HB VAL A 126 9.974 -0.843 16.090 1.00 0.00 H new ATOM 0 HG11 VAL A 126 12.048 -1.374 14.875 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.306 -2.826 15.588 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.146 -2.511 13.844 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.645 0.520 14.151 1.00 0.00 H new ATOM 0 HG22 VAL A 126 9.678 -0.530 13.086 1.00 0.00 H new ATOM 0 HG23 VAL A 126 8.876 0.452 14.335 1.00 0.00 H new ATOM 308 N HIS A 127 7.666 -2.287 12.868 1.00 0.00 N ATOM 309 CA HIS A 127 7.460 -2.729 11.492 1.00 0.00 C ATOM 310 C HIS A 127 7.898 -1.653 10.502 1.00 0.00 C ATOM 311 O HIS A 127 7.557 -0.481 10.647 1.00 0.00 O ATOM 312 CB HIS A 127 5.972 -3.027 11.290 1.00 0.00 C ATOM 313 CG HIS A 127 5.324 -3.684 12.468 1.00 0.00 C ATOM 314 ND1 HIS A 127 5.866 -4.775 13.113 1.00 0.00 N ATOM 315 CD2 HIS A 127 4.174 -3.395 13.123 1.00 0.00 C ATOM 316 CE1 HIS A 127 5.078 -5.129 14.112 1.00 0.00 C ATOM 317 NE2 HIS A 127 4.045 -4.309 14.139 1.00 0.00 N ATOM 0 H HIS A 127 7.031 -1.547 13.168 1.00 0.00 H new ATOM 0 HA HIS A 127 8.058 -3.623 11.314 1.00 0.00 H new ATOM 0 HB2 HIS A 127 5.450 -2.095 11.073 1.00 0.00 H new ATOM 0 HB3 HIS A 127 5.854 -3.669 10.417 1.00 0.00 H new ATOM 0 HD2 HIS A 127 3.487 -2.595 12.889 1.00 0.00 H new ATOM 0 HE1 HIS A 127 5.250 -5.951 14.792 1.00 0.00 H new ATOM 0 HE2 HIS A 127 3.275 -4.348 14.807 1.00 0.00 H new ATOM 325 N LEU A 128 8.580 -2.083 9.447 1.00 0.00 N ATOM 326 CA LEU A 128 9.020 -1.204 8.392 1.00 0.00 C ATOM 327 C LEU A 128 8.592 -1.811 7.068 1.00 0.00 C ATOM 328 O LEU A 128 8.778 -3.004 6.829 1.00 0.00 O ATOM 329 CB LEU A 128 10.545 -1.092 8.433 1.00 0.00 C ATOM 330 CG LEU A 128 11.110 0.239 7.936 1.00 0.00 C ATOM 331 CD1 LEU A 128 10.861 0.401 6.444 1.00 0.00 C ATOM 332 CD2 LEU A 128 10.501 1.399 8.709 1.00 0.00 C ATOM 0 H LEU A 128 8.840 -3.059 9.307 1.00 0.00 H new ATOM 0 HA LEU A 128 8.586 -0.212 8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.878 -1.250 9.459 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.969 -1.896 7.832 1.00 0.00 H new ATOM 0 HG LEU A 128 12.187 0.241 8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 128 11.270 1.354 6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 128 11.346 -0.412 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 128 9.789 0.378 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.915 2.338 8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.420 1.400 8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.731 1.291 9.769 1.00 0.00 H new ATOM 344 N LEU A 129 8.093 -0.976 6.187 1.00 0.00 N ATOM 345 CA LEU A 129 7.688 -1.416 4.875 1.00 0.00 C ATOM 346 C LEU A 129 8.529 -0.728 3.820 1.00 0.00 C ATOM 347 O LEU A 129 8.723 0.487 3.841 1.00 0.00 O ATOM 348 CB LEU A 129 6.213 -1.072 4.667 1.00 0.00 C ATOM 349 CG LEU A 129 5.222 -2.077 5.257 1.00 0.00 C ATOM 350 CD1 LEU A 129 5.317 -2.091 6.775 1.00 0.00 C ATOM 351 CD2 LEU A 129 3.805 -1.750 4.811 1.00 0.00 C ATOM 0 H LEU A 129 7.957 0.020 6.359 1.00 0.00 H new ATOM 0 HA LEU A 129 7.829 -2.494 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.019 -0.093 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 129 6.024 -0.984 3.597 1.00 0.00 H new ATOM 0 HG LEU A 129 5.477 -3.071 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 129 4.605 -2.812 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 129 6.327 -2.373 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 129 5.088 -1.099 7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 129 3.112 -2.474 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 129 3.539 -0.749 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 129 3.747 -1.792 3.723 1.00 0.00 H new ATOM 363 N LYS A 130 8.956 -1.512 2.868 1.00 0.00 N ATOM 364 CA LYS A 130 9.734 -1.041 1.752 1.00 0.00 C ATOM 365 C LYS A 130 9.110 -1.570 0.474 1.00 0.00 C ATOM 366 O LYS A 130 8.780 -2.751 0.374 1.00 0.00 O ATOM 367 CB LYS A 130 11.164 -1.572 1.876 1.00 0.00 C ATOM 368 CG LYS A 130 11.936 -0.970 3.040 1.00 0.00 C ATOM 369 CD LYS A 130 13.149 -0.181 2.566 1.00 0.00 C ATOM 370 CE LYS A 130 14.447 -0.799 3.061 1.00 0.00 C ATOM 371 NZ LYS A 130 14.703 -0.480 4.493 1.00 0.00 N ATOM 0 H LYS A 130 8.770 -2.515 2.845 1.00 0.00 H new ATOM 0 HA LYS A 130 9.752 0.049 1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 130 11.132 -2.655 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 130 11.701 -1.367 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 130 11.278 -0.316 3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.259 -1.765 3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 130 13.156 -0.143 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 130 13.076 0.847 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 130 14.407 -1.881 2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 130 15.277 -0.436 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.597 -0.919 4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 14.767 0.551 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 13.924 -0.849 5.075 1.00 0.00 H new ATOM 385 N CYS A 131 9.030 -0.724 -0.521 1.00 0.00 N ATOM 386 CA CYS A 131 8.509 -1.117 -1.804 1.00 0.00 C ATOM 387 C CYS A 131 9.517 -0.735 -2.858 1.00 0.00 C ATOM 388 O CYS A 131 10.030 0.398 -2.864 1.00 0.00 O ATOM 389 CB CYS A 131 7.186 -0.389 -2.060 1.00 0.00 C ATOM 390 SG CYS A 131 6.243 -1.034 -3.480 1.00 0.00 S ATOM 0 H CYS A 131 9.323 0.252 -0.465 1.00 0.00 H new ATOM 0 HA CYS A 131 8.330 -2.192 -1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.567 -0.458 -1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.392 0.669 -2.225 1.00 0.00 H new ATOM 395 N MET A 132 9.748 -1.651 -3.784 1.00 0.00 N ATOM 396 CA MET A 132 10.667 -1.399 -4.865 1.00 0.00 C ATOM 397 C MET A 132 9.910 -1.242 -6.165 1.00 0.00 C ATOM 398 O MET A 132 9.065 -2.066 -6.523 1.00 0.00 O ATOM 399 CB MET A 132 11.661 -2.556 -4.980 1.00 0.00 C ATOM 400 CG MET A 132 12.831 -2.453 -4.014 1.00 0.00 C ATOM 401 SD MET A 132 12.864 -3.796 -2.810 1.00 0.00 S ATOM 402 CE MET A 132 13.358 -5.169 -3.848 1.00 0.00 C ATOM 0 H MET A 132 9.310 -2.572 -3.803 1.00 0.00 H new ATOM 0 HA MET A 132 11.211 -0.477 -4.659 1.00 0.00 H new ATOM 0 HB2 MET A 132 11.136 -3.494 -4.802 1.00 0.00 H new ATOM 0 HB3 MET A 132 12.045 -2.594 -5.999 1.00 0.00 H new ATOM 0 HG2 MET A 132 13.763 -2.454 -4.578 1.00 0.00 H new ATOM 0 HG3 MET A 132 12.779 -1.500 -3.487 1.00 0.00 H new ATOM 0 HE1 MET A 132 13.423 -6.075 -3.246 1.00 0.00 H new ATOM 0 HE2 MET A 132 12.621 -5.311 -4.639 1.00 0.00 H new ATOM 0 HE3 MET A 132 14.331 -4.958 -4.292 1.00 0.00 H new ATOM 412 N ALA A 133 10.263 -0.169 -6.852 1.00 0.00 N ATOM 413 CA ALA A 133 9.684 0.216 -8.143 1.00 0.00 C ATOM 414 C ALA A 133 9.285 1.676 -8.067 1.00 0.00 C ATOM 415 O ALA A 133 9.532 2.461 -8.982 1.00 0.00 O ATOM 416 CB ALA A 133 8.481 -0.640 -8.518 1.00 0.00 C ATOM 0 H ALA A 133 10.978 0.480 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 133 10.432 0.058 -8.920 1.00 0.00 H new ATOM 0 HB1 ALA A 133 8.089 -0.315 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 133 8.784 -1.685 -8.584 1.00 0.00 H new ATOM 0 HB3 ALA A 133 7.708 -0.534 -7.757 1.00 0.00 H new ATOM 422 N CYS A 134 8.701 2.028 -6.930 1.00 0.00 N ATOM 423 CA CYS A 134 8.291 3.391 -6.658 1.00 0.00 C ATOM 424 C CYS A 134 9.233 4.008 -5.627 1.00 0.00 C ATOM 425 O CYS A 134 9.198 5.213 -5.378 1.00 0.00 O ATOM 426 CB CYS A 134 6.847 3.423 -6.144 1.00 0.00 C ATOM 427 SG CYS A 134 6.610 2.620 -4.523 1.00 0.00 S ATOM 0 H CYS A 134 8.500 1.374 -6.173 1.00 0.00 H new ATOM 0 HA CYS A 134 8.338 3.969 -7.581 1.00 0.00 H new ATOM 0 HB2 CYS A 134 6.522 4.461 -6.073 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.202 2.936 -6.876 1.00 0.00 H new ATOM 432 N GLY A 135 10.075 3.161 -5.023 1.00 0.00 N ATOM 433 CA GLY A 135 11.013 3.626 -4.021 1.00 0.00 C ATOM 434 C GLY A 135 10.308 4.333 -2.891 1.00 0.00 C ATOM 435 O GLY A 135 10.472 5.540 -2.709 1.00 0.00 O ATOM 0 H GLY A 135 10.119 2.160 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 135 11.576 2.780 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.734 4.302 -4.481 1.00 0.00 H new ATOM 439 N ALA A 136 9.500 3.593 -2.138 1.00 0.00 N ATOM 440 CA ALA A 136 8.754 4.202 -1.036 1.00 0.00 C ATOM 441 C ALA A 136 8.987 3.467 0.276 1.00 0.00 C ATOM 442 O ALA A 136 8.911 2.241 0.334 1.00 0.00 O ATOM 443 CB ALA A 136 7.275 4.174 -1.386 1.00 0.00 C ATOM 0 H ALA A 136 9.345 2.593 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 136 9.100 5.227 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 136 6.701 4.624 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 136 7.108 4.736 -2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 136 6.954 3.142 -1.528 1.00 0.00 H new ATOM 449 N ILE A 137 9.172 4.225 1.351 1.00 0.00 N ATOM 450 CA ILE A 137 9.344 3.636 2.672 1.00 0.00 C ATOM 451 C ILE A 137 8.369 4.261 3.664 1.00 0.00 C ATOM 452 O ILE A 137 8.235 5.483 3.735 1.00 0.00 O ATOM 453 CB ILE A 137 10.780 3.883 3.173 1.00 0.00 C ATOM 454 CG1 ILE A 137 11.143 5.365 3.045 1.00 0.00 C ATOM 455 CG2 ILE A 137 11.766 3.021 2.398 1.00 0.00 C ATOM 456 CD1 ILE A 137 11.817 5.930 4.276 1.00 0.00 C ATOM 0 H ILE A 137 9.207 5.244 1.333 1.00 0.00 H new ATOM 0 HA ILE A 137 9.152 2.566 2.596 1.00 0.00 H new ATOM 0 HB ILE A 137 10.834 3.606 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 137 11.802 5.497 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 137 10.237 5.936 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 137 12.776 3.206 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 137 11.517 1.969 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 137 11.712 3.270 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 137 12.046 6.983 4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 137 11.151 5.830 5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 137 12.740 5.384 4.468 1.00 0.00 H new ATOM 468 N ARG A 138 7.745 3.419 4.478 1.00 0.00 N ATOM 469 CA ARG A 138 6.816 3.884 5.497 1.00 0.00 C ATOM 470 C ARG A 138 7.148 3.262 6.856 1.00 0.00 C ATOM 471 O ARG A 138 7.367 2.052 6.963 1.00 0.00 O ATOM 472 CB ARG A 138 5.400 3.468 5.093 1.00 0.00 C ATOM 473 CG ARG A 138 4.768 4.390 4.062 1.00 0.00 C ATOM 474 CD ARG A 138 3.976 5.509 4.722 1.00 0.00 C ATOM 475 NE ARG A 138 2.537 5.349 4.526 1.00 0.00 N ATOM 476 CZ ARG A 138 1.649 6.320 4.729 1.00 0.00 C ATOM 477 NH1 ARG A 138 2.048 7.521 5.132 1.00 0.00 N ATOM 478 NH2 ARG A 138 0.359 6.091 4.527 1.00 0.00 N ATOM 0 H ARG A 138 7.867 2.407 4.451 1.00 0.00 H new ATOM 0 HA ARG A 138 6.892 4.968 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 138 5.428 2.454 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 138 4.770 3.443 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.546 4.818 3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.111 3.813 3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 138 4.197 5.529 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.293 6.468 4.313 1.00 0.00 H new ATOM 0 HE ARG A 138 2.193 4.440 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 138 3.039 7.703 5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 138 1.363 8.261 5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 138 0.047 5.171 4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -0.321 6.835 4.682 1.00 0.00 H new ATOM 492 N PRO A 139 7.111 4.080 7.929 1.00 0.00 N ATOM 493 CA PRO A 139 7.358 3.633 9.289 1.00 0.00 C ATOM 494 C PRO A 139 6.064 3.338 10.042 1.00 0.00 C ATOM 495 O PRO A 139 5.126 4.136 10.014 1.00 0.00 O ATOM 496 CB PRO A 139 8.048 4.853 9.884 1.00 0.00 C ATOM 497 CG PRO A 139 7.384 6.020 9.219 1.00 0.00 C ATOM 498 CD PRO A 139 6.796 5.517 7.915 1.00 0.00 C ATOM 0 HA PRO A 139 7.930 2.706 9.342 1.00 0.00 H new ATOM 0 HB2 PRO A 139 7.925 4.890 10.966 1.00 0.00 H new ATOM 0 HB3 PRO A 139 9.120 4.840 9.685 1.00 0.00 H new ATOM 0 HG2 PRO A 139 6.604 6.435 9.858 1.00 0.00 H new ATOM 0 HG3 PRO A 139 8.103 6.818 9.034 1.00 0.00 H new ATOM 0 HD2 PRO A 139 5.721 5.692 7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 139 7.241 6.017 7.055 1.00 0.00 H new ATOM 506 N ILE A 140 6.014 2.196 10.716 1.00 0.00 N ATOM 507 CA ILE A 140 4.832 1.809 11.475 1.00 0.00 C ATOM 508 C ILE A 140 5.216 1.249 12.840 1.00 0.00 C ATOM 509 O ILE A 140 6.112 0.414 12.949 1.00 0.00 O ATOM 510 CB ILE A 140 3.996 0.760 10.717 1.00 0.00 C ATOM 511 CG1 ILE A 140 3.731 1.225 9.284 1.00 0.00 C ATOM 512 CG2 ILE A 140 2.685 0.499 11.447 1.00 0.00 C ATOM 513 CD1 ILE A 140 4.814 0.822 8.308 1.00 0.00 C ATOM 0 H ILE A 140 6.778 1.522 10.752 1.00 0.00 H new ATOM 0 HA ILE A 140 4.233 2.710 11.610 1.00 0.00 H new ATOM 0 HB ILE A 140 4.559 -0.172 10.677 1.00 0.00 H new ATOM 0 HG12 ILE A 140 2.779 0.814 8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 140 3.631 2.310 9.275 1.00 0.00 H new ATOM 0 HG21 ILE A 140 2.105 -0.244 10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 140 2.895 0.128 12.450 1.00 0.00 H new ATOM 0 HG23 ILE A 140 2.115 1.426 11.514 1.00 0.00 H new ATOM 0 HD11 ILE A 140 4.560 1.185 7.312 1.00 0.00 H new ATOM 0 HD12 ILE A 140 5.765 1.255 8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 140 4.899 -0.264 8.287 1.00 0.00 H new ATOM 525 N ARG A 141 4.534 1.717 13.880 1.00 0.00 N ATOM 526 CA ARG A 141 4.807 1.263 15.239 1.00 0.00 C ATOM 527 C ARG A 141 3.550 1.343 16.103 1.00 0.00 C ATOM 528 O ARG A 141 3.487 2.117 17.058 1.00 0.00 O ATOM 529 CB ARG A 141 5.930 2.097 15.860 1.00 0.00 C ATOM 530 CG ARG A 141 6.914 1.278 16.681 1.00 0.00 C ATOM 531 CD ARG A 141 6.745 1.524 18.174 1.00 0.00 C ATOM 532 NE ARG A 141 8.018 1.821 18.826 1.00 0.00 N ATOM 533 CZ ARG A 141 8.627 3.002 18.759 1.00 0.00 C ATOM 534 NH1 ARG A 141 8.084 3.999 18.070 1.00 0.00 N ATOM 535 NH2 ARG A 141 9.783 3.188 19.381 1.00 0.00 N ATOM 0 H ARG A 141 3.789 2.410 13.808 1.00 0.00 H new ATOM 0 HA ARG A 141 5.124 0.221 15.193 1.00 0.00 H new ATOM 0 HB2 ARG A 141 6.472 2.611 15.066 1.00 0.00 H new ATOM 0 HB3 ARG A 141 5.491 2.866 16.496 1.00 0.00 H new ATOM 0 HG2 ARG A 141 6.772 0.218 16.469 1.00 0.00 H new ATOM 0 HG3 ARG A 141 7.932 1.529 16.384 1.00 0.00 H new ATOM 0 HD2 ARG A 141 6.056 2.354 18.329 1.00 0.00 H new ATOM 0 HD3 ARG A 141 6.296 0.646 18.638 1.00 0.00 H new ATOM 0 HE ARG A 141 8.466 1.080 19.364 1.00 0.00 H new ATOM 0 HH11 ARG A 141 7.195 3.862 17.589 1.00 0.00 H new ATOM 0 HH12 ARG A 141 8.556 4.902 18.022 1.00 0.00 H new ATOM 0 HH21 ARG A 141 10.205 2.426 19.911 1.00 0.00 H new ATOM 0 HH22 ARG A 141 10.250 4.093 19.330 1.00 0.00 H new ATOM 549 N MET A 142 2.551 0.536 15.759 1.00 0.00 N ATOM 550 CA MET A 142 1.297 0.513 16.502 1.00 0.00 C ATOM 551 C MET A 142 1.253 -0.675 17.457 1.00 0.00 C ATOM 552 O MET A 142 2.121 -1.547 17.418 1.00 0.00 O ATOM 553 CB MET A 142 0.110 0.453 15.537 1.00 0.00 C ATOM 554 CG MET A 142 -0.523 1.808 15.268 1.00 0.00 C ATOM 555 SD MET A 142 -2.237 1.678 14.723 1.00 0.00 S ATOM 556 CE MET A 142 -3.071 2.618 16.001 1.00 0.00 C ATOM 0 H MET A 142 2.586 -0.110 14.971 1.00 0.00 H new ATOM 0 HA MET A 142 1.233 1.429 17.089 1.00 0.00 H new ATOM 0 HB2 MET A 142 0.442 0.022 14.592 1.00 0.00 H new ATOM 0 HB3 MET A 142 -0.646 -0.218 15.945 1.00 0.00 H new ATOM 0 HG2 MET A 142 -0.479 2.412 16.174 1.00 0.00 H new ATOM 0 HG3 MET A 142 0.057 2.331 14.508 1.00 0.00 H new ATOM 0 HE1 MET A 142 -4.143 2.630 15.803 1.00 0.00 H new ATOM 0 HE2 MET A 142 -2.886 2.157 16.971 1.00 0.00 H new ATOM 0 HE3 MET A 142 -2.692 3.640 16.007 1.00 0.00 H new ATOM 566 N ILE A 143 0.238 -0.702 18.314 1.00 0.00 N ATOM 567 CA ILE A 143 0.082 -1.782 19.280 1.00 0.00 C ATOM 568 C ILE A 143 -1.104 -2.671 18.922 1.00 0.00 C ATOM 569 O ILE A 143 -1.000 -2.000 18.000 1.00 0.00 O ATOM 570 CB ILE A 143 -0.112 -1.236 20.707 1.00 0.00 C ATOM 571 CG1 ILE A 143 0.948 -0.179 21.022 1.00 0.00 C ATOM 572 CG2 ILE A 143 -0.055 -2.371 21.720 1.00 0.00 C ATOM 573 CD1 ILE A 143 2.359 -0.725 21.038 1.00 0.00 C ATOM 574 OXT ILE A 143 -1.200 -2.100 18.110 1.00 0.00 O ATOM 0 H ILE A 143 -0.489 0.012 18.359 1.00 0.00 H new ATOM 0 HA ILE A 143 0.998 -2.371 19.247 1.00 0.00 H new ATOM 0 HB ILE A 143 -1.094 -0.767 20.770 1.00 0.00 H new ATOM 0 HG12 ILE A 143 0.884 0.619 20.283 1.00 0.00 H new ATOM 0 HG13 ILE A 143 0.728 0.267 21.992 1.00 0.00 H new ATOM 0 HG21 ILE A 143 -0.194 -1.970 22.724 1.00 0.00 H new ATOM 0 HG22 ILE A 143 -0.845 -3.091 21.505 1.00 0.00 H new ATOM 0 HG23 ILE A 143 0.914 -2.866 21.658 1.00 0.00 H new ATOM 0 HD11 ILE A 143 3.058 0.079 21.268 1.00 0.00 H new ATOM 0 HD12 ILE A 143 2.439 -1.503 21.797 1.00 0.00 H new ATOM 0 HD13 ILE A 143 2.598 -1.145 20.061 1.00 0.00 H new TER 586 ILE A 143 HETATM 587 ZN ZN A 144 5.323 0.688 -4.757 1.00 0.00 ZN