USER MOD reduce.3.24.130724 H: found=0, std=0, add=307, rem=0, adj=2 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 180: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= -0.829 K(o=-0.83,f=-2.1) 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 -148:sc= 0 (180deg=-0.314) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 108 -3.270 4.171 -3.453 1.00 0.00 N ATOM 2 CA VAL A 108 -3.134 4.890 -4.707 1.00 0.00 C ATOM 3 C VAL A 108 -1.668 4.997 -5.136 1.00 0.00 C ATOM 4 O VAL A 108 -1.325 4.692 -6.279 1.00 0.00 O ATOM 5 CB VAL A 108 -3.749 6.297 -4.550 1.00 0.00 C ATOM 6 CG1 VAL A 108 -2.968 7.351 -5.326 1.00 0.00 C ATOM 7 CG2 VAL A 108 -5.209 6.286 -4.979 1.00 0.00 C ATOM 0 HA VAL A 108 -3.662 4.338 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.692 6.565 -3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.436 8.326 -5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.942 7.386 -4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.967 7.096 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.630 7.285 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.279 5.982 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.765 5.584 -4.358 1.00 0.00 H new ATOM 17 N ILE A 109 -0.808 5.431 -4.218 1.00 0.00 N ATOM 18 CA ILE A 109 0.617 5.575 -4.511 1.00 0.00 C ATOM 19 C ILE A 109 1.180 4.322 -5.146 1.00 0.00 C ATOM 20 O ILE A 109 1.855 4.360 -6.175 1.00 0.00 O ATOM 21 CB ILE A 109 1.431 5.918 -3.245 1.00 0.00 C ATOM 22 CG1 ILE A 109 0.862 7.167 -2.567 1.00 0.00 C ATOM 23 CG2 ILE A 109 2.902 6.123 -3.590 1.00 0.00 C ATOM 24 CD1 ILE A 109 0.814 7.067 -1.059 1.00 0.00 C ATOM 0 H ILE A 109 -1.071 5.689 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 109 0.705 6.401 -5.216 1.00 0.00 H new ATOM 0 HB ILE A 109 1.355 5.081 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE A 109 1.467 8.030 -2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.145 7.348 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 109 3.458 6.364 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.303 5.210 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 109 2.998 6.942 -4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.400 7.987 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.185 6.225 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 109 1.822 6.917 -0.672 1.00 0.00 H new ATOM 36 N CYS A 110 0.883 3.227 -4.509 1.00 0.00 N ATOM 37 CA CYS A 110 1.327 1.912 -4.959 1.00 0.00 C ATOM 38 C CYS A 110 0.228 1.217 -5.760 1.00 0.00 C ATOM 39 O CYS A 110 0.033 0.007 -5.651 1.00 0.00 O ATOM 40 CB CYS A 110 1.734 1.049 -3.762 1.00 0.00 C ATOM 41 SG CYS A 110 2.480 -0.555 -4.207 1.00 0.00 S ATOM 0 H CYS A 110 0.323 3.206 -3.656 1.00 0.00 H new ATOM 0 HA CYS A 110 2.194 2.046 -5.606 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.443 1.608 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.854 0.868 -3.145 1.00 0.00 H new ATOM 46 N ARG A 111 -0.489 1.995 -6.567 1.00 0.00 N ATOM 47 CA ARG A 111 -1.568 1.460 -7.388 1.00 0.00 C ATOM 48 C ARG A 111 -1.074 1.148 -8.797 1.00 0.00 C ATOM 49 O ARG A 111 -1.572 0.232 -9.451 1.00 0.00 O ATOM 50 CB ARG A 111 -2.727 2.455 -7.452 1.00 0.00 C ATOM 51 CG ARG A 111 -4.066 1.809 -7.766 1.00 0.00 C ATOM 52 CD ARG A 111 -4.639 2.317 -9.080 1.00 0.00 C ATOM 53 NE ARG A 111 -5.340 1.266 -9.815 1.00 0.00 N ATOM 54 CZ ARG A 111 -6.208 1.500 -10.797 1.00 0.00 C ATOM 55 NH1 ARG A 111 -6.486 2.745 -11.162 1.00 0.00 N ATOM 56 NH2 ARG A 111 -6.800 0.487 -11.414 1.00 0.00 N ATOM 0 H ARG A 111 -0.341 2.999 -6.669 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.916 0.534 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.800 2.977 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -2.509 3.206 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.946 0.727 -7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.768 2.015 -6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -5.325 3.140 -8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -3.833 2.715 -9.697 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.153 0.296 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.034 3.528 -10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.152 2.919 -11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -6.591 -0.472 -11.136 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.465 0.666 -12.166 1.00 0.00 H new ATOM 70 N GLU A 112 -0.089 1.914 -9.256 1.00 0.00 N ATOM 71 CA GLU A 112 0.478 1.718 -10.585 1.00 0.00 C ATOM 72 C GLU A 112 1.738 0.860 -10.515 1.00 0.00 C ATOM 73 O GLU A 112 2.639 0.994 -11.342 1.00 0.00 O ATOM 74 CB GLU A 112 0.797 3.069 -11.230 1.00 0.00 C ATOM 75 CG GLU A 112 -0.275 3.552 -12.193 1.00 0.00 C ATOM 76 CD GLU A 112 0.306 4.220 -13.424 1.00 0.00 C ATOM 77 OE1 GLU A 112 1.175 5.103 -13.265 1.00 0.00 O ATOM 78 OE2 GLU A 112 -0.108 3.862 -14.546 1.00 0.00 O ATOM 0 H GLU A 112 0.333 2.677 -8.726 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.259 1.198 -11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 112 0.931 3.814 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 112 1.745 2.993 -11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.891 2.706 -12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -0.931 4.254 -11.678 1.00 0.00 H new ATOM 85 N CYS A 113 1.793 -0.019 -9.519 1.00 0.00 N ATOM 86 CA CYS A 113 2.934 -0.897 -9.332 1.00 0.00 C ATOM 87 C CYS A 113 2.748 -2.194 -10.118 1.00 0.00 C ATOM 88 O CYS A 113 1.904 -3.021 -9.776 1.00 0.00 O ATOM 89 CB CYS A 113 3.105 -1.191 -7.843 1.00 0.00 C ATOM 90 SG CYS A 113 4.775 -0.853 -7.199 1.00 0.00 S ATOM 0 H CYS A 113 1.053 -0.139 -8.827 1.00 0.00 H new ATOM 0 HA CYS A 113 3.832 -0.405 -9.706 1.00 0.00 H new ATOM 0 HB2 CYS A 113 2.385 -0.596 -7.282 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.863 -2.238 -7.661 1.00 0.00 H new ATOM 95 N GLY A 114 3.532 -2.356 -11.181 1.00 0.00 N ATOM 96 CA GLY A 114 3.427 -3.545 -12.007 1.00 0.00 C ATOM 97 C GLY A 114 4.242 -4.712 -11.482 1.00 0.00 C ATOM 98 O GLY A 114 5.150 -5.195 -12.157 1.00 0.00 O ATOM 0 H GLY A 114 4.238 -1.685 -11.484 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.380 -3.842 -12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.756 -3.307 -13.019 1.00 0.00 H new ATOM 102 N LYS A 115 3.910 -5.173 -10.278 1.00 0.00 N ATOM 103 CA LYS A 115 4.611 -6.301 -9.663 1.00 0.00 C ATOM 104 C LYS A 115 6.128 -6.168 -9.809 1.00 0.00 C ATOM 105 O LYS A 115 6.779 -7.017 -10.419 1.00 0.00 O ATOM 106 CB LYS A 115 4.140 -7.617 -10.287 1.00 0.00 C ATOM 107 CG LYS A 115 2.662 -7.900 -10.068 1.00 0.00 C ATOM 108 CD LYS A 115 2.403 -9.384 -9.860 1.00 0.00 C ATOM 109 CE LYS A 115 1.198 -9.858 -10.657 1.00 0.00 C ATOM 110 NZ LYS A 115 1.039 -11.337 -10.599 1.00 0.00 N ATOM 0 H LYS A 115 3.160 -4.783 -9.708 1.00 0.00 H new ATOM 0 HA LYS A 115 4.375 -6.299 -8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.342 -7.595 -11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.724 -8.437 -9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 115 2.309 -7.343 -9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 115 2.092 -7.547 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.284 -9.953 -10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 115 2.240 -9.581 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.297 -9.381 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 115 1.304 -9.545 -11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 0.206 -11.619 -11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 1.888 -11.793 -10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 0.912 -11.634 -9.610 1.00 0.00 H new ATOM 124 N PRO A 116 6.713 -5.095 -9.250 1.00 0.00 N ATOM 125 CA PRO A 116 8.152 -4.856 -9.321 1.00 0.00 C ATOM 126 C PRO A 116 8.924 -5.670 -8.279 1.00 0.00 C ATOM 127 O PRO A 116 9.131 -6.869 -8.467 1.00 0.00 O ATOM 128 CB PRO A 116 8.256 -3.357 -9.069 1.00 0.00 C ATOM 129 CG PRO A 116 7.104 -3.043 -8.176 1.00 0.00 C ATOM 130 CD PRO A 116 6.014 -4.032 -8.505 1.00 0.00 C ATOM 0 HA PRO A 116 8.590 -5.162 -10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 116 9.204 -3.100 -8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 116 8.200 -2.794 -10.001 1.00 0.00 H new ATOM 0 HG2 PRO A 116 7.394 -3.122 -7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 116 6.759 -2.021 -8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 116 5.542 -4.421 -7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 116 5.227 -3.575 -9.105 1.00 0.00 H new ATOM 138 N ASP A 117 9.348 -5.042 -7.174 1.00 0.00 N ATOM 139 CA ASP A 117 10.082 -5.777 -6.144 1.00 0.00 C ATOM 140 C ASP A 117 9.463 -5.540 -4.777 1.00 0.00 C ATOM 141 O ASP A 117 8.969 -4.446 -4.503 1.00 0.00 O ATOM 142 CB ASP A 117 11.552 -5.352 -6.132 1.00 0.00 C ATOM 143 CG ASP A 117 12.461 -6.400 -6.745 1.00 0.00 C ATOM 144 OD1 ASP A 117 12.846 -7.346 -6.027 1.00 0.00 O ATOM 145 OD2 ASP A 117 12.788 -6.272 -7.944 1.00 0.00 O ATOM 0 H ASP A 117 9.199 -4.053 -6.976 1.00 0.00 H new ATOM 0 HA ASP A 117 10.024 -6.841 -6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 117 11.661 -4.415 -6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.864 -5.160 -5.105 1.00 0.00 H new ATOM 150 N THR A 118 9.492 -6.545 -3.908 1.00 0.00 N ATOM 151 CA THR A 118 8.927 -6.382 -2.573 1.00 0.00 C ATOM 152 C THR A 118 9.923 -6.810 -1.500 1.00 0.00 C ATOM 153 O THR A 118 10.503 -7.893 -1.570 1.00 0.00 O ATOM 154 CB THR A 118 7.654 -7.219 -2.453 1.00 0.00 C ATOM 155 OG1 THR A 118 6.966 -7.266 -3.691 1.00 0.00 O ATOM 156 CG2 THR A 118 6.689 -6.699 -1.410 1.00 0.00 C ATOM 0 H THR A 118 9.892 -7.464 -4.098 1.00 0.00 H new ATOM 0 HA THR A 118 8.694 -5.328 -2.424 1.00 0.00 H new ATOM 0 HB THR A 118 7.989 -8.211 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 118 6.155 -7.808 -3.594 1.00 0.00 H new ATOM 0 HG21 THR A 118 5.808 -7.340 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.174 -6.699 -0.434 1.00 0.00 H new ATOM 0 HG23 THR A 118 6.389 -5.683 -1.666 1.00 0.00 H new ATOM 164 N LYS A 119 10.092 -5.958 -0.493 1.00 0.00 N ATOM 165 CA LYS A 119 11.007 -6.240 0.607 1.00 0.00 C ATOM 166 C LYS A 119 10.334 -5.929 1.943 1.00 0.00 C ATOM 167 O LYS A 119 9.720 -4.874 2.104 1.00 0.00 O ATOM 168 CB LYS A 119 12.242 -5.347 0.459 1.00 0.00 C ATOM 169 CG LYS A 119 13.554 -6.110 0.524 1.00 0.00 C ATOM 170 CD LYS A 119 14.126 -6.118 1.933 1.00 0.00 C ATOM 171 CE LYS A 119 15.477 -6.813 1.982 1.00 0.00 C ATOM 172 NZ LYS A 119 15.640 -7.623 3.221 1.00 0.00 N ATOM 0 H LYS A 119 9.606 -5.065 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 119 11.288 -7.293 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.186 -4.818 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 119 12.231 -4.592 1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.397 -7.135 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.273 -5.658 -0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.230 -5.094 2.291 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.432 -6.622 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 119 15.585 -7.458 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 119 16.271 -6.068 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.574 -8.081 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 15.562 -7.004 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.898 -8.351 3.260 1.00 0.00 H new ATOM 186 N ILE A 120 10.516 -6.807 2.922 1.00 0.00 N ATOM 187 CA ILE A 120 9.959 -6.582 4.252 1.00 0.00 C ATOM 188 C ILE A 120 11.042 -6.763 5.311 1.00 0.00 C ATOM 189 O ILE A 120 11.784 -7.744 5.288 1.00 0.00 O ATOM 190 CB ILE A 120 8.830 -7.599 4.521 1.00 0.00 C ATOM 191 CG1 ILE A 120 8.193 -7.344 5.890 1.00 0.00 C ATOM 192 CG2 ILE A 120 9.361 -9.023 4.433 1.00 0.00 C ATOM 193 CD1 ILE A 120 6.832 -6.685 5.810 1.00 0.00 C ATOM 0 H ILE A 120 11.041 -7.676 2.822 1.00 0.00 H new ATOM 0 HA ILE A 120 9.567 -5.566 4.299 1.00 0.00 H new ATOM 0 HB ILE A 120 8.063 -7.472 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 120 8.098 -8.292 6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 120 8.859 -6.714 6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 120 8.551 -9.726 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.765 -9.200 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 120 10.148 -9.164 5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 120 6.441 -6.535 6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 120 6.923 -5.722 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 120 6.151 -7.324 5.248 1.00 0.00 H new ATOM 205 N ILE A 121 11.082 -5.856 6.283 1.00 0.00 N ATOM 206 CA ILE A 121 12.054 -5.956 7.368 1.00 0.00 C ATOM 207 C ILE A 121 11.363 -5.809 8.713 1.00 0.00 C ATOM 208 O ILE A 121 10.561 -4.900 8.912 1.00 0.00 O ATOM 209 CB ILE A 121 13.103 -4.836 7.234 1.00 0.00 C ATOM 210 CG1 ILE A 121 14.053 -4.832 8.437 1.00 0.00 C ATOM 211 CG2 ILE A 121 12.423 -3.484 7.080 1.00 0.00 C ATOM 212 CD1 ILE A 121 15.515 -4.905 8.053 1.00 0.00 C ATOM 0 H ILE A 121 10.459 -5.051 6.342 1.00 0.00 H new ATOM 0 HA ILE A 121 12.535 -6.932 7.308 1.00 0.00 H new ATOM 0 HB ILE A 121 13.694 -5.027 6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.884 -3.927 9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 121 13.813 -5.677 9.082 1.00 0.00 H new ATOM 0 HG21 ILE A 121 13.179 -2.705 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 121 11.797 -3.491 6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 121 11.804 -3.286 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 121 16.129 -4.898 8.954 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.699 -5.823 7.496 1.00 0.00 H new ATOM 0 HD13 ILE A 121 15.772 -4.046 7.433 1.00 0.00 H new ATOM 224 N LYS A 122 11.744 -6.648 9.664 1.00 0.00 N ATOM 225 CA LYS A 122 11.183 -6.565 11.009 1.00 0.00 C ATOM 226 C LYS A 122 12.293 -6.528 12.054 1.00 0.00 C ATOM 227 O LYS A 122 13.231 -7.324 12.009 1.00 0.00 O ATOM 228 CB LYS A 122 10.308 -7.795 11.252 1.00 0.00 C ATOM 229 CG LYS A 122 9.151 -7.921 10.275 1.00 0.00 C ATOM 230 CD LYS A 122 8.614 -9.343 10.227 1.00 0.00 C ATOM 231 CE LYS A 122 7.098 -9.364 10.123 1.00 0.00 C ATOM 232 NZ LYS A 122 6.501 -10.471 10.921 1.00 0.00 N ATOM 0 H LYS A 122 12.433 -7.389 9.534 1.00 0.00 H new ATOM 0 HA LYS A 122 10.594 -5.652 11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 122 10.927 -8.690 11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.913 -7.755 12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 122 8.352 -7.239 10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 122 9.480 -7.621 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 122 9.045 -9.867 9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.926 -9.881 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.697 -8.411 10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.807 -9.472 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.466 -10.450 10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.863 -11.383 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.757 -10.354 11.922 1.00 0.00 H new ATOM 246 N GLU A 123 12.141 -5.649 13.039 1.00 0.00 N ATOM 247 CA GLU A 123 13.112 -5.545 14.127 1.00 0.00 C ATOM 248 C GLU A 123 12.375 -5.567 15.458 1.00 0.00 C ATOM 249 O GLU A 123 11.378 -4.864 15.620 1.00 0.00 O ATOM 250 CB GLU A 123 13.867 -4.223 13.993 1.00 0.00 C ATOM 251 CG GLU A 123 14.516 -4.028 12.633 1.00 0.00 C ATOM 252 CD GLU A 123 16.024 -4.178 12.679 1.00 0.00 C ATOM 253 OE1 GLU A 123 16.690 -3.308 13.277 1.00 0.00 O ATOM 254 OE2 GLU A 123 16.539 -5.168 12.117 1.00 0.00 O ATOM 0 H GLU A 123 11.358 -4.999 13.108 1.00 0.00 H new ATOM 0 HA GLU A 123 13.812 -6.379 14.081 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.177 -3.400 14.178 1.00 0.00 H new ATOM 0 HB3 GLU A 123 14.636 -4.174 14.764 1.00 0.00 H new ATOM 0 HG2 GLU A 123 14.104 -4.753 11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 123 14.265 -3.038 12.253 1.00 0.00 H new ATOM 261 N GLY A 124 12.881 -6.306 16.434 1.00 0.00 N ATOM 262 CA GLY A 124 12.234 -6.334 17.737 1.00 0.00 C ATOM 263 C GLY A 124 10.781 -6.796 17.670 1.00 0.00 C ATOM 264 O GLY A 124 10.513 -7.987 17.511 1.00 0.00 O ATOM 0 H GLY A 124 13.719 -6.882 16.353 1.00 0.00 H new ATOM 0 HA2 GLY A 124 12.791 -6.997 18.399 1.00 0.00 H new ATOM 0 HA3 GLY A 124 12.273 -5.338 18.178 1.00 0.00 H new ATOM 268 N ARG A 125 9.840 -5.853 17.801 1.00 0.00 N ATOM 269 CA ARG A 125 8.408 -6.181 17.764 1.00 0.00 C ATOM 270 C ARG A 125 7.624 -5.196 16.889 1.00 0.00 C ATOM 271 O ARG A 125 6.464 -4.890 17.160 1.00 0.00 O ATOM 272 CB ARG A 125 7.826 -6.190 19.180 1.00 0.00 C ATOM 273 CG ARG A 125 8.389 -5.102 20.081 1.00 0.00 C ATOM 274 CD ARG A 125 9.605 -5.592 20.850 1.00 0.00 C ATOM 275 NE ARG A 125 10.592 -4.533 21.046 1.00 0.00 N ATOM 276 CZ ARG A 125 10.501 -3.598 21.989 1.00 0.00 C ATOM 277 NH1 ARG A 125 9.467 -3.585 22.823 1.00 0.00 N ATOM 278 NH2 ARG A 125 11.443 -2.673 22.099 1.00 0.00 N ATOM 0 H ARG A 125 10.042 -4.862 17.933 1.00 0.00 H new ATOM 0 HA ARG A 125 8.312 -7.174 17.326 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.744 -6.074 19.119 1.00 0.00 H new ATOM 0 HB3 ARG A 125 8.018 -7.162 19.636 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.662 -4.235 19.480 1.00 0.00 H new ATOM 0 HG3 ARG A 125 7.621 -4.775 20.782 1.00 0.00 H new ATOM 0 HD2 ARG A 125 9.290 -5.978 21.820 1.00 0.00 H new ATOM 0 HD3 ARG A 125 10.065 -6.421 20.312 1.00 0.00 H new ATOM 0 HE ARG A 125 11.399 -4.509 20.423 1.00 0.00 H new ATOM 0 HH11 ARG A 125 8.738 -4.294 22.743 1.00 0.00 H new ATOM 0 HH12 ARG A 125 9.402 -2.866 23.544 1.00 0.00 H new ATOM 0 HH21 ARG A 125 12.239 -2.677 21.461 1.00 0.00 H new ATOM 0 HH22 ARG A 125 11.373 -1.957 22.822 1.00 0.00 H new ATOM 292 N VAL A 126 8.278 -4.711 15.844 1.00 0.00 N ATOM 293 CA VAL A 126 7.703 -3.774 14.912 1.00 0.00 C ATOM 294 C VAL A 126 8.006 -4.248 13.498 1.00 0.00 C ATOM 295 O VAL A 126 9.137 -4.615 13.173 1.00 0.00 O ATOM 296 CB VAL A 126 8.339 -2.384 15.102 1.00 0.00 C ATOM 297 CG1 VAL A 126 7.663 -1.358 14.205 1.00 0.00 C ATOM 298 CG2 VAL A 126 8.265 -1.958 16.561 1.00 0.00 C ATOM 0 H VAL A 126 9.240 -4.967 15.623 1.00 0.00 H new ATOM 0 HA VAL A 126 6.628 -3.711 15.081 1.00 0.00 H new ATOM 0 HB VAL A 126 9.389 -2.444 14.817 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.127 -0.383 14.354 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.774 -1.657 13.163 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.604 -1.298 14.455 1.00 0.00 H new ATOM 0 HG21 VAL A 126 8.719 -0.974 16.676 1.00 0.00 H new ATOM 0 HG22 VAL A 126 7.222 -1.916 16.875 1.00 0.00 H new ATOM 0 HG23 VAL A 126 8.801 -2.679 17.178 1.00 0.00 H new ATOM 308 N HIS A 127 7.003 -4.163 12.655 1.00 0.00 N ATOM 309 CA HIS A 127 7.130 -4.545 11.251 1.00 0.00 C ATOM 310 C HIS A 127 7.081 -3.314 10.351 1.00 0.00 C ATOM 311 O HIS A 127 6.222 -2.451 10.507 1.00 0.00 O ATOM 312 CB HIS A 127 5.974 -5.481 10.893 1.00 0.00 C ATOM 313 CG HIS A 127 5.634 -6.459 11.975 1.00 0.00 C ATOM 314 ND1 HIS A 127 6.581 -7.218 12.627 1.00 0.00 N ATOM 315 CD2 HIS A 127 4.443 -6.793 12.525 1.00 0.00 C ATOM 316 CE1 HIS A 127 5.989 -7.976 13.531 1.00 0.00 C ATOM 317 NE2 HIS A 127 4.691 -7.738 13.490 1.00 0.00 N ATOM 0 H HIS A 127 6.075 -3.829 12.914 1.00 0.00 H new ATOM 0 HA HIS A 127 8.087 -5.045 11.101 1.00 0.00 H new ATOM 0 HB2 HIS A 127 5.091 -4.883 10.665 1.00 0.00 H new ATOM 0 HB3 HIS A 127 6.230 -6.030 9.987 1.00 0.00 H new ATOM 0 HD2 HIS A 127 3.478 -6.391 12.255 1.00 0.00 H new ATOM 0 HE1 HIS A 127 6.483 -8.673 14.192 1.00 0.00 H new ATOM 0 HE2 HIS A 127 3.987 -8.183 14.079 1.00 0.00 H new ATOM 325 N LEU A 128 7.951 -3.294 9.350 1.00 0.00 N ATOM 326 CA LEU A 128 7.998 -2.232 8.376 1.00 0.00 C ATOM 327 C LEU A 128 7.955 -2.855 6.992 1.00 0.00 C ATOM 328 O LEU A 128 8.668 -3.819 6.705 1.00 0.00 O ATOM 329 CB LEU A 128 9.302 -1.450 8.551 1.00 0.00 C ATOM 330 CG LEU A 128 9.206 -0.229 9.468 1.00 0.00 C ATOM 331 CD1 LEU A 128 8.890 -0.657 10.893 1.00 0.00 C ATOM 332 CD2 LEU A 128 10.499 0.570 9.424 1.00 0.00 C ATOM 0 H LEU A 128 8.646 -4.024 9.197 1.00 0.00 H new ATOM 0 HA LEU A 128 7.155 -1.554 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.062 -2.124 8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.646 -1.123 7.570 1.00 0.00 H new ATOM 0 HG LEU A 128 8.395 0.408 9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 128 8.825 0.224 11.532 1.00 0.00 H new ATOM 0 HD12 LEU A 128 7.939 -1.189 10.911 1.00 0.00 H new ATOM 0 HD13 LEU A 128 9.679 -1.313 11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.415 1.435 10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 128 11.326 -0.058 9.755 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.684 0.906 8.404 1.00 0.00 H new ATOM 344 N LEU A 129 7.171 -2.257 6.123 1.00 0.00 N ATOM 345 CA LEU A 129 7.057 -2.718 4.761 1.00 0.00 C ATOM 346 C LEU A 129 7.617 -1.672 3.816 1.00 0.00 C ATOM 347 O LEU A 129 7.316 -0.484 3.916 1.00 0.00 O ATOM 348 CB LEU A 129 5.581 -2.966 4.443 1.00 0.00 C ATOM 349 CG LEU A 129 5.314 -4.122 3.478 1.00 0.00 C ATOM 350 CD1 LEU A 129 4.010 -4.823 3.830 1.00 0.00 C ATOM 351 CD2 LEU A 129 5.281 -3.620 2.043 1.00 0.00 C ATOM 0 H LEU A 129 6.598 -1.442 6.341 1.00 0.00 H new ATOM 0 HA LEU A 129 7.621 -3.643 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 129 5.052 -3.161 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 129 5.158 -2.055 4.021 1.00 0.00 H new ATOM 0 HG LEU A 129 6.126 -4.843 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.838 -5.642 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 129 4.071 -5.217 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 129 3.186 -4.112 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 129 5.090 -4.456 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 129 4.489 -2.879 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.240 -3.166 1.794 1.00 0.00 H new ATOM 363 N LYS A 130 8.368 -2.150 2.862 1.00 0.00 N ATOM 364 CA LYS A 130 8.962 -1.325 1.840 1.00 0.00 C ATOM 365 C LYS A 130 8.657 -1.937 0.484 1.00 0.00 C ATOM 366 O LYS A 130 8.814 -3.140 0.278 1.00 0.00 O ATOM 367 CB LYS A 130 10.476 -1.280 2.049 1.00 0.00 C ATOM 368 CG LYS A 130 11.118 0.013 1.572 1.00 0.00 C ATOM 369 CD LYS A 130 12.372 -0.253 0.755 1.00 0.00 C ATOM 370 CE LYS A 130 13.161 1.025 0.514 1.00 0.00 C ATOM 371 NZ LYS A 130 14.460 0.755 -0.164 1.00 0.00 N ATOM 0 H LYS A 130 8.590 -3.141 2.769 1.00 0.00 H new ATOM 0 HA LYS A 130 8.559 -0.314 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.692 -1.414 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.932 -2.118 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 130 10.403 0.574 0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 130 11.368 0.634 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 130 13.000 -0.977 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.097 -0.698 -0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 130 12.569 1.708 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 130 13.345 1.523 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 14.968 1.651 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 15.036 0.123 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 14.284 0.302 -1.084 1.00 0.00 H new ATOM 385 N CYS A 131 8.315 -1.088 -0.456 1.00 0.00 N ATOM 386 CA CYS A 131 8.054 -1.510 -1.809 1.00 0.00 C ATOM 387 C CYS A 131 8.996 -0.756 -2.716 1.00 0.00 C ATOM 388 O CYS A 131 9.144 0.472 -2.598 1.00 0.00 O ATOM 389 CB CYS A 131 6.602 -1.185 -2.173 1.00 0.00 C ATOM 390 SG CYS A 131 6.074 -1.828 -3.795 1.00 0.00 S ATOM 0 H CYS A 131 8.210 -0.085 -0.303 1.00 0.00 H new ATOM 0 HA CYS A 131 8.207 -2.584 -1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 131 5.947 -1.592 -1.403 1.00 0.00 H new ATOM 0 HB3 CYS A 131 6.471 -0.103 -2.164 1.00 0.00 H new ATOM 395 N MET A 132 9.583 -1.478 -3.653 1.00 0.00 N ATOM 396 CA MET A 132 10.489 -0.880 -4.598 1.00 0.00 C ATOM 397 C MET A 132 9.878 -0.836 -5.984 1.00 0.00 C ATOM 398 O MET A 132 9.374 -1.837 -6.510 1.00 0.00 O ATOM 399 CB MET A 132 11.795 -1.674 -4.636 1.00 0.00 C ATOM 400 CG MET A 132 12.969 -0.890 -5.198 1.00 0.00 C ATOM 401 SD MET A 132 14.427 -1.916 -5.462 1.00 0.00 S ATOM 402 CE MET A 132 15.373 -1.544 -3.986 1.00 0.00 C ATOM 0 H MET A 132 9.444 -2.481 -3.774 1.00 0.00 H new ATOM 0 HA MET A 132 10.690 0.143 -4.279 1.00 0.00 H new ATOM 0 HB2 MET A 132 12.039 -2.003 -3.626 1.00 0.00 H new ATOM 0 HB3 MET A 132 11.647 -2.571 -5.237 1.00 0.00 H new ATOM 0 HG2 MET A 132 12.676 -0.432 -6.143 1.00 0.00 H new ATOM 0 HG3 MET A 132 13.219 -0.079 -4.515 1.00 0.00 H new ATOM 0 HE1 MET A 132 16.307 -2.105 -4.002 1.00 0.00 H new ATOM 0 HE2 MET A 132 15.591 -0.477 -3.953 1.00 0.00 H new ATOM 0 HE3 MET A 132 14.797 -1.824 -3.104 1.00 0.00 H new ATOM 412 N ALA A 133 9.976 0.362 -6.546 1.00 0.00 N ATOM 413 CA ALA A 133 9.480 0.705 -7.882 1.00 0.00 C ATOM 414 C ALA A 133 8.652 1.972 -7.784 1.00 0.00 C ATOM 415 O ALA A 133 8.718 2.853 -8.642 1.00 0.00 O ATOM 416 CB ALA A 133 8.655 -0.413 -8.493 1.00 0.00 C ATOM 0 H ALA A 133 10.417 1.151 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 133 10.338 0.859 -8.537 1.00 0.00 H new ATOM 0 HB1 ALA A 133 8.310 -0.112 -9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 133 9.267 -1.311 -8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 133 7.795 -0.620 -7.856 1.00 0.00 H new ATOM 422 N CYS A 134 7.892 2.058 -6.700 1.00 0.00 N ATOM 423 CA CYS A 134 7.055 3.212 -6.426 1.00 0.00 C ATOM 424 C CYS A 134 7.610 3.985 -5.229 1.00 0.00 C ATOM 425 O CYS A 134 7.152 5.084 -4.921 1.00 0.00 O ATOM 426 CB CYS A 134 5.616 2.770 -6.147 1.00 0.00 C ATOM 427 SG CYS A 134 5.404 1.861 -4.578 1.00 0.00 S ATOM 0 H CYS A 134 7.840 1.329 -5.988 1.00 0.00 H new ATOM 0 HA CYS A 134 7.055 3.863 -7.300 1.00 0.00 H new ATOM 0 HB2 CYS A 134 4.973 3.650 -6.134 1.00 0.00 H new ATOM 0 HB3 CYS A 134 5.276 2.139 -6.968 1.00 0.00 H new ATOM 432 N GLY A 135 8.597 3.390 -4.550 1.00 0.00 N ATOM 433 CA GLY A 135 9.191 4.025 -3.391 1.00 0.00 C ATOM 434 C GLY A 135 8.161 4.324 -2.328 1.00 0.00 C ATOM 435 O GLY A 135 7.875 5.486 -2.043 1.00 0.00 O ATOM 0 H GLY A 135 8.991 2.480 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.963 3.377 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 135 9.680 4.951 -3.694 1.00 0.00 H new ATOM 439 N ALA A 136 7.581 3.275 -1.753 1.00 0.00 N ATOM 440 CA ALA A 136 6.553 3.459 -0.730 1.00 0.00 C ATOM 441 C ALA A 136 6.958 2.816 0.590 1.00 0.00 C ATOM 442 O ALA A 136 7.404 1.670 0.621 1.00 0.00 O ATOM 443 CB ALA A 136 5.260 2.835 -1.231 1.00 0.00 C ATOM 0 H ALA A 136 7.799 2.303 -1.972 1.00 0.00 H new ATOM 0 HA ALA A 136 6.421 4.526 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 136 4.480 2.962 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 136 4.956 3.323 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 136 5.416 1.772 -1.415 1.00 0.00 H new ATOM 449 N ILE A 137 6.712 3.518 1.691 1.00 0.00 N ATOM 450 CA ILE A 137 7.003 2.975 3.012 1.00 0.00 C ATOM 451 C ILE A 137 5.764 3.038 3.900 1.00 0.00 C ATOM 452 O ILE A 137 5.095 4.067 3.981 1.00 0.00 O ATOM 453 CB ILE A 137 8.128 3.793 3.676 1.00 0.00 C ATOM 454 CG1 ILE A 137 7.746 5.275 3.737 1.00 0.00 C ATOM 455 CG2 ILE A 137 9.436 3.605 2.921 1.00 0.00 C ATOM 456 CD1 ILE A 137 7.648 5.815 5.147 1.00 0.00 C ATOM 0 H ILE A 137 6.315 4.457 1.695 1.00 0.00 H new ATOM 0 HA ILE A 137 7.313 1.937 2.895 1.00 0.00 H new ATOM 0 HB ILE A 137 8.266 3.433 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 137 8.485 5.856 3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 137 6.789 5.416 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 137 10.221 4.189 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 137 9.712 2.551 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 137 9.313 3.941 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 137 7.374 6.869 5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 137 6.889 5.260 5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 137 8.611 5.706 5.646 1.00 0.00 H new ATOM 468 N ARG A 138 5.513 1.953 4.624 1.00 0.00 N ATOM 469 CA ARG A 138 4.386 1.890 5.542 1.00 0.00 C ATOM 470 C ARG A 138 4.840 1.393 6.918 1.00 0.00 C ATOM 471 O ARG A 138 5.568 0.401 7.024 1.00 0.00 O ATOM 472 CB ARG A 138 3.349 0.915 4.980 1.00 0.00 C ATOM 473 CG ARG A 138 2.649 1.425 3.730 1.00 0.00 C ATOM 474 CD ARG A 138 2.364 0.298 2.750 1.00 0.00 C ATOM 475 NE ARG A 138 0.938 0.185 2.446 1.00 0.00 N ATOM 476 CZ ARG A 138 0.269 1.056 1.693 1.00 0.00 C ATOM 477 NH1 ARG A 138 0.891 2.104 1.167 1.00 0.00 N ATOM 478 NH2 ARG A 138 -1.024 0.878 1.467 1.00 0.00 N ATOM 0 H ARG A 138 6.077 1.104 4.591 1.00 0.00 H new ATOM 0 HA ARG A 138 3.959 2.887 5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.839 -0.032 4.751 1.00 0.00 H new ATOM 0 HB3 ARG A 138 2.602 0.710 5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 138 1.714 1.911 4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 138 3.269 2.180 3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 138 2.919 0.470 1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 138 2.722 -0.644 3.166 1.00 0.00 H new ATOM 0 HE ARG A 138 0.426 -0.607 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 138 1.886 2.245 1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 138 0.374 2.768 0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -1.506 0.074 1.870 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -1.537 1.545 0.890 1.00 0.00 H new ATOM 492 N PRO A 139 4.347 2.043 7.994 1.00 0.00 N ATOM 493 CA PRO A 139 4.646 1.672 9.366 1.00 0.00 C ATOM 494 C PRO A 139 3.558 0.796 9.981 1.00 0.00 C ATOM 495 O PRO A 139 2.429 1.241 10.180 1.00 0.00 O ATOM 496 CB PRO A 139 4.669 3.035 10.046 1.00 0.00 C ATOM 497 CG PRO A 139 3.617 3.828 9.331 1.00 0.00 C ATOM 498 CD PRO A 139 3.426 3.191 7.968 1.00 0.00 C ATOM 0 HA PRO A 139 5.561 1.088 9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 139 4.449 2.952 11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 139 5.648 3.506 9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 139 2.683 3.823 9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 139 3.922 4.869 9.230 1.00 0.00 H new ATOM 0 HD2 PRO A 139 2.394 2.875 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 139 3.671 3.884 7.163 1.00 0.00 H new ATOM 506 N ILE A 140 3.906 -0.447 10.284 1.00 0.00 N ATOM 507 CA ILE A 140 2.963 -1.384 10.882 1.00 0.00 C ATOM 508 C ILE A 140 3.436 -1.824 12.264 1.00 0.00 C ATOM 509 O ILE A 140 4.136 -2.828 12.401 1.00 0.00 O ATOM 510 CB ILE A 140 2.767 -2.630 9.997 1.00 0.00 C ATOM 511 CG1 ILE A 140 2.523 -2.219 8.543 1.00 0.00 C ATOM 512 CG2 ILE A 140 1.610 -3.471 10.517 1.00 0.00 C ATOM 513 CD1 ILE A 140 1.333 -1.303 8.365 1.00 0.00 C ATOM 0 H ILE A 140 4.837 -0.831 10.125 1.00 0.00 H new ATOM 0 HA ILE A 140 2.010 -0.862 10.972 1.00 0.00 H new ATOM 0 HB ILE A 140 3.675 -3.231 10.036 1.00 0.00 H new ATOM 0 HG12 ILE A 140 3.414 -1.722 8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 140 2.374 -3.115 7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 140 1.483 -4.348 9.882 1.00 0.00 H new ATOM 0 HG22 ILE A 140 1.822 -3.790 11.538 1.00 0.00 H new ATOM 0 HG23 ILE A 140 0.695 -2.879 10.504 1.00 0.00 H new ATOM 0 HD11 ILE A 140 1.221 -1.053 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 140 0.432 -1.805 8.717 1.00 0.00 H new ATOM 0 HD13 ILE A 140 1.488 -0.390 8.940 1.00 0.00 H new ATOM 525 N ARG A 141 3.051 -1.064 13.283 1.00 0.00 N ATOM 526 CA ARG A 141 3.437 -1.372 14.655 1.00 0.00 C ATOM 527 C ARG A 141 2.297 -2.054 15.405 1.00 0.00 C ATOM 528 O ARG A 141 2.527 -2.803 16.353 1.00 0.00 O ATOM 529 CB ARG A 141 3.851 -0.094 15.387 1.00 0.00 C ATOM 530 CG ARG A 141 4.466 -0.346 16.754 1.00 0.00 C ATOM 531 CD ARG A 141 4.918 0.950 17.408 1.00 0.00 C ATOM 532 NE ARG A 141 5.871 1.681 16.575 1.00 0.00 N ATOM 533 CZ ARG A 141 6.140 2.976 16.720 1.00 0.00 C ATOM 534 NH1 ARG A 141 5.533 3.687 17.662 1.00 0.00 N ATOM 535 NH2 ARG A 141 7.020 3.563 15.919 1.00 0.00 N ATOM 0 H ARG A 141 2.472 -0.230 13.185 1.00 0.00 H new ATOM 0 HA ARG A 141 4.284 -2.057 14.622 1.00 0.00 H new ATOM 0 HB2 ARG A 141 4.566 0.452 14.771 1.00 0.00 H new ATOM 0 HB3 ARG A 141 2.977 0.547 15.504 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.739 -0.844 17.395 1.00 0.00 H new ATOM 0 HG3 ARG A 141 5.317 -1.020 16.653 1.00 0.00 H new ATOM 0 HD2 ARG A 141 4.050 1.580 17.603 1.00 0.00 H new ATOM 0 HD3 ARG A 141 5.375 0.729 18.373 1.00 0.00 H new ATOM 0 HE ARG A 141 6.358 1.169 15.840 1.00 0.00 H new ATOM 0 HH11 ARG A 141 4.855 3.241 18.280 1.00 0.00 H new ATOM 0 HH12 ARG A 141 5.744 4.679 17.768 1.00 0.00 H new ATOM 0 HH21 ARG A 141 7.489 3.022 15.193 1.00 0.00 H new ATOM 0 HH22 ARG A 141 7.227 4.556 16.029 1.00 0.00 H new ATOM 549 N MET A 142 1.066 -1.789 14.974 1.00 0.00 N ATOM 550 CA MET A 142 -0.107 -2.379 15.608 1.00 0.00 C ATOM 551 C MET A 142 -0.217 -1.933 17.062 1.00 0.00 C ATOM 552 O MET A 142 0.571 -1.113 17.532 1.00 0.00 O ATOM 553 CB MET A 142 -0.042 -3.906 15.531 1.00 0.00 C ATOM 554 CG MET A 142 -0.732 -4.484 14.308 1.00 0.00 C ATOM 555 SD MET A 142 -0.141 -6.136 13.892 1.00 0.00 S ATOM 556 CE MET A 142 -0.474 -6.183 12.133 1.00 0.00 C ATOM 0 H MET A 142 0.857 -1.171 14.190 1.00 0.00 H new ATOM 0 HA MET A 142 -0.992 -2.035 15.073 1.00 0.00 H new ATOM 0 HB2 MET A 142 1.003 -4.217 15.529 1.00 0.00 H new ATOM 0 HB3 MET A 142 -0.498 -4.326 16.427 1.00 0.00 H new ATOM 0 HG2 MET A 142 -1.807 -4.521 14.486 1.00 0.00 H new ATOM 0 HG3 MET A 142 -0.572 -3.821 13.458 1.00 0.00 H new ATOM 0 HE1 MET A 142 -0.715 -7.203 11.836 1.00 0.00 H new ATOM 0 HE2 MET A 142 -1.316 -5.530 11.905 1.00 0.00 H new ATOM 0 HE3 MET A 142 0.406 -5.844 11.587 1.00 0.00 H new ATOM 566 N ILE A 143 -1.201 -2.479 17.771 1.00 0.00 N ATOM 567 CA ILE A 143 -1.413 -2.137 19.173 1.00 0.00 C ATOM 568 C ILE A 143 -1.853 -0.684 19.323 1.00 0.00 C ATOM 569 O ILE A 143 -1.999 -0.999 19.000 1.00 0.00 O ATOM 570 CB ILE A 143 -0.137 -2.364 20.009 1.00 0.00 C ATOM 571 CG1 ILE A 143 0.436 -3.758 19.745 1.00 0.00 C ATOM 572 CG2 ILE A 143 -0.433 -2.178 21.490 1.00 0.00 C ATOM 573 CD1 ILE A 143 1.939 -3.771 19.569 1.00 0.00 C ATOM 574 OXT ILE A 143 -1.900 -0.900 19.010 1.00 0.00 O ATOM 0 H ILE A 143 -1.863 -3.159 17.398 1.00 0.00 H new ATOM 0 HA ILE A 143 -2.201 -2.794 19.542 1.00 0.00 H new ATOM 0 HB ILE A 143 0.608 -1.626 19.711 1.00 0.00 H new ATOM 0 HG12 ILE A 143 0.170 -4.414 20.574 1.00 0.00 H new ATOM 0 HG13 ILE A 143 -0.030 -4.170 18.850 1.00 0.00 H new ATOM 0 HG21 ILE A 143 0.478 -2.342 22.066 1.00 0.00 H new ATOM 0 HG22 ILE A 143 -0.796 -1.165 21.664 1.00 0.00 H new ATOM 0 HG23 ILE A 143 -1.193 -2.894 21.802 1.00 0.00 H new ATOM 0 HD11 ILE A 143 2.275 -4.792 19.385 1.00 0.00 H new ATOM 0 HD12 ILE A 143 2.212 -3.141 18.722 1.00 0.00 H new ATOM 0 HD13 ILE A 143 2.414 -3.390 20.473 1.00 0.00 H new TER 586 ILE A 143 HETATM 587 ZN ZN A 144 4.686 -0.330 -4.930 1.00 0.00 ZN