USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 493 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 62 THR OG1 : rot 180:sc= 0.418 USER MOD Single : A 65 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 66 MET CE :methyl 133:sc= -0.735 (180deg=-1.94!) USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= -0.0193 (180deg=-0.276) USER MOD Single : A 70 MET CE :methyl 154:sc= -0.981 (180deg=-1.86) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -6:sc= 0.887 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -160:sc= -0.0582 (180deg=-0.634) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0892 USER MOD Single : A 105 THR OG1 : rot 89:sc= 0.414 USER MOD Single : A 107 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.57) USER MOD Single : A 108 THR OG1 : rot -66:sc= 1.12 USER MOD Single : A 109 SER OG : rot 180:sc= -0.54 USER MOD Single : A 110 CYS SG : rot -46:sc= 0.114! USER MOD Single : A 118 CYS SG : rot 180:sc= -0.0842 USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 165:sc= -0.77 USER MOD Single : A 130 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-3!) USER MOD Single : A 133 LYS NZ :NH3+ 163:sc= -0.168 (180deg=-0.986) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 62 -11.890 -1.491 -4.818 1.00 0.00 N ATOM 79 CA THR A 62 -12.205 -2.427 -3.739 1.00 0.00 C ATOM 80 C THR A 62 -10.948 -2.732 -2.924 1.00 0.00 C ATOM 81 O THR A 62 -9.842 -2.740 -3.464 1.00 0.00 O ATOM 82 CB THR A 62 -12.764 -3.725 -4.327 1.00 0.00 C ATOM 83 OG1 THR A 62 -11.690 -4.601 -4.641 1.00 0.00 O ATOM 84 CG2 THR A 62 -13.556 -3.412 -5.599 1.00 0.00 C ATOM 0 HA THR A 62 -12.951 -1.975 -3.086 1.00 0.00 H new ATOM 0 HB THR A 62 -13.422 -4.200 -3.599 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.046 -5.433 -5.016 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.954 -4.337 -6.017 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.379 -2.739 -5.359 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.900 -2.937 -6.328 1.00 0.00 H new ATOM 92 N PRO A 63 -11.091 -2.983 -1.645 1.00 0.00 N ATOM 93 CA PRO A 63 -9.930 -3.291 -0.753 1.00 0.00 C ATOM 94 C PRO A 63 -9.200 -4.560 -1.188 1.00 0.00 C ATOM 95 O PRO A 63 -7.977 -4.649 -1.086 1.00 0.00 O ATOM 96 CB PRO A 63 -10.557 -3.458 0.640 1.00 0.00 C ATOM 97 CG PRO A 63 -12.012 -3.711 0.401 1.00 0.00 C ATOM 98 CD PRO A 63 -12.364 -3.006 -0.907 1.00 0.00 C ATOM 0 HA PRO A 63 -9.174 -2.506 -0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.099 -4.287 1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.409 -2.564 1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -12.214 -4.780 0.332 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.613 -3.325 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.136 -3.544 -1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.742 -1.999 -0.730 1.00 0.00 H new ATOM 106 N GLU A 64 -9.959 -5.535 -1.676 1.00 0.00 N ATOM 107 CA GLU A 64 -9.370 -6.791 -2.127 1.00 0.00 C ATOM 108 C GLU A 64 -8.584 -6.575 -3.416 1.00 0.00 C ATOM 109 O GLU A 64 -7.498 -7.125 -3.593 1.00 0.00 O ATOM 110 CB GLU A 64 -10.468 -7.830 -2.365 1.00 0.00 C ATOM 111 CG GLU A 64 -9.838 -9.144 -2.827 1.00 0.00 C ATOM 112 CD GLU A 64 -10.855 -10.276 -2.726 1.00 0.00 C ATOM 113 OE1 GLU A 64 -11.575 -10.486 -3.688 1.00 0.00 O ATOM 114 OE2 GLU A 64 -10.901 -10.914 -1.687 1.00 0.00 O ATOM 0 H GLU A 64 -10.973 -5.482 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.692 -7.153 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.036 -7.990 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.170 -7.467 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.490 -9.048 -3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.965 -9.373 -2.215 1.00 0.00 H new ATOM 121 N GLN A 65 -9.142 -5.765 -4.311 1.00 0.00 N ATOM 122 CA GLN A 65 -8.484 -5.479 -5.581 1.00 0.00 C ATOM 123 C GLN A 65 -7.137 -4.803 -5.345 1.00 0.00 C ATOM 124 O GLN A 65 -6.111 -5.250 -5.856 1.00 0.00 O ATOM 125 CB GLN A 65 -9.371 -4.569 -6.434 1.00 0.00 C ATOM 126 CG GLN A 65 -8.674 -4.279 -7.765 1.00 0.00 C ATOM 127 CD GLN A 65 -9.667 -3.680 -8.754 1.00 0.00 C ATOM 128 OE1 GLN A 65 -9.545 -3.891 -9.961 1.00 0.00 O ATOM 129 NE2 GLN A 65 -10.649 -2.942 -8.313 1.00 0.00 N ATOM 0 H GLN A 65 -10.040 -5.299 -4.182 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.319 -6.421 -6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.335 -5.046 -6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.570 -3.637 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.844 -3.590 -7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.252 -5.198 -8.172 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.748 -2.769 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.318 -2.538 -8.969 1.00 0.00 H new ATOM 138 N MET A 66 -7.148 -3.725 -4.568 1.00 0.00 N ATOM 139 CA MET A 66 -5.919 -2.999 -4.272 1.00 0.00 C ATOM 140 C MET A 66 -4.943 -3.892 -3.511 1.00 0.00 C ATOM 141 O MET A 66 -3.730 -3.813 -3.710 1.00 0.00 O ATOM 142 CB MET A 66 -6.229 -1.750 -3.442 1.00 0.00 C ATOM 143 CG MET A 66 -6.912 -2.157 -2.137 1.00 0.00 C ATOM 144 SD MET A 66 -7.294 -0.675 -1.165 1.00 0.00 S ATOM 145 CE MET A 66 -8.455 0.080 -2.331 1.00 0.00 C ATOM 0 H MET A 66 -7.987 -3.338 -4.135 1.00 0.00 H new ATOM 0 HA MET A 66 -5.462 -2.698 -5.215 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.309 -1.206 -3.228 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.874 -1.077 -4.007 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.827 -2.710 -2.350 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.263 -2.821 -1.567 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.347 0.408 -1.796 1.00 0.00 H new ATOM 0 HE2 MET A 66 -7.983 0.938 -2.810 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.735 -0.650 -3.090 1.00 0.00 H new ATOM 155 N ALA A 67 -5.480 -4.743 -2.643 1.00 0.00 N ATOM 156 CA ALA A 67 -4.646 -5.647 -1.861 1.00 0.00 C ATOM 157 C ALA A 67 -3.908 -6.614 -2.778 1.00 0.00 C ATOM 158 O ALA A 67 -2.761 -6.980 -2.520 1.00 0.00 O ATOM 159 CB ALA A 67 -5.510 -6.434 -0.873 1.00 0.00 C ATOM 0 H ALA A 67 -6.481 -4.825 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.916 -5.055 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.878 -7.107 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.016 -5.742 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.252 -7.015 -1.421 1.00 0.00 H new ATOM 165 N LYS A 68 -4.574 -7.021 -3.854 1.00 0.00 N ATOM 166 CA LYS A 68 -3.976 -7.944 -4.807 1.00 0.00 C ATOM 167 C LYS A 68 -2.891 -7.240 -5.621 1.00 0.00 C ATOM 168 O LYS A 68 -1.788 -7.760 -5.782 1.00 0.00 O ATOM 169 CB LYS A 68 -5.053 -8.490 -5.748 1.00 0.00 C ATOM 170 CG LYS A 68 -5.884 -9.544 -5.013 1.00 0.00 C ATOM 171 CD LYS A 68 -6.982 -10.066 -5.943 1.00 0.00 C ATOM 172 CE LYS A 68 -7.582 -11.344 -5.356 1.00 0.00 C ATOM 173 NZ LYS A 68 -6.624 -12.472 -5.538 1.00 0.00 N ATOM 0 H LYS A 68 -5.523 -6.727 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.524 -8.769 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.696 -7.680 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.591 -8.928 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.245 -10.366 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.327 -9.112 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.758 -9.311 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.571 -10.266 -6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.798 -11.204 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.528 -11.573 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.136 -13.375 -5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.167 -12.393 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.899 -12.436 -4.793 1.00 0.00 H new ATOM 187 N GLU A 69 -3.216 -6.054 -6.127 1.00 0.00 N ATOM 188 CA GLU A 69 -2.263 -5.284 -6.921 1.00 0.00 C ATOM 189 C GLU A 69 -1.078 -4.854 -6.063 1.00 0.00 C ATOM 190 O GLU A 69 0.055 -4.786 -6.540 1.00 0.00 O ATOM 191 CB GLU A 69 -2.950 -4.047 -7.504 1.00 0.00 C ATOM 192 CG GLU A 69 -4.130 -4.482 -8.376 1.00 0.00 C ATOM 193 CD GLU A 69 -3.622 -5.210 -9.616 1.00 0.00 C ATOM 194 OE1 GLU A 69 -2.469 -5.015 -9.963 1.00 0.00 O ATOM 195 OE2 GLU A 69 -4.395 -5.952 -10.200 1.00 0.00 O ATOM 0 H GLU A 69 -4.125 -5.608 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.900 -5.914 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.298 -3.398 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.240 -3.469 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.792 -5.135 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.716 -3.611 -8.670 1.00 0.00 H new ATOM 202 N MET A 70 -1.348 -4.568 -4.797 1.00 0.00 N ATOM 203 CA MET A 70 -0.296 -4.150 -3.880 1.00 0.00 C ATOM 204 C MET A 70 0.608 -5.332 -3.536 1.00 0.00 C ATOM 205 O MET A 70 1.812 -5.301 -3.787 1.00 0.00 O ATOM 206 CB MET A 70 -0.917 -3.590 -2.593 1.00 0.00 C ATOM 207 CG MET A 70 -1.312 -2.124 -2.794 1.00 0.00 C ATOM 208 SD MET A 70 -1.632 -1.364 -1.181 1.00 0.00 S ATOM 209 CE MET A 70 -3.352 -1.898 -0.999 1.00 0.00 C ATOM 0 H MET A 70 -2.279 -4.617 -4.383 1.00 0.00 H new ATOM 0 HA MET A 70 0.299 -3.375 -4.363 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.794 -4.176 -2.318 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.206 -3.674 -1.771 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.515 -1.588 -3.310 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.200 -2.057 -3.423 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.605 -1.954 0.060 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.009 -1.182 -1.492 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.478 -2.880 -1.455 1.00 0.00 H new ATOM 219 N SER A 71 0.014 -6.367 -2.955 1.00 0.00 N ATOM 220 CA SER A 71 0.767 -7.553 -2.569 1.00 0.00 C ATOM 221 C SER A 71 1.675 -8.023 -3.702 1.00 0.00 C ATOM 222 O SER A 71 2.867 -8.249 -3.496 1.00 0.00 O ATOM 223 CB SER A 71 -0.193 -8.676 -2.180 1.00 0.00 C ATOM 224 OG SER A 71 0.497 -9.918 -2.213 1.00 0.00 O ATOM 0 H SER A 71 -0.983 -6.409 -2.742 1.00 0.00 H new ATOM 0 HA SER A 71 1.392 -7.293 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.595 -8.497 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.040 -8.699 -2.866 1.00 0.00 H new ATOM 0 HG SER A 71 -0.117 -10.640 -1.962 1.00 0.00 H new ATOM 230 N GLU A 72 1.110 -8.179 -4.897 1.00 0.00 N ATOM 231 CA GLU A 72 1.901 -8.633 -6.037 1.00 0.00 C ATOM 232 C GLU A 72 2.970 -7.602 -6.394 1.00 0.00 C ATOM 233 O GLU A 72 4.108 -7.963 -6.692 1.00 0.00 O ATOM 234 CB GLU A 72 0.997 -8.896 -7.245 1.00 0.00 C ATOM 235 CG GLU A 72 0.464 -7.574 -7.795 1.00 0.00 C ATOM 236 CD GLU A 72 -0.598 -7.843 -8.856 1.00 0.00 C ATOM 237 OE1 GLU A 72 -1.142 -8.935 -8.858 1.00 0.00 O ATOM 238 OE2 GLU A 72 -0.852 -6.953 -9.651 1.00 0.00 O ATOM 0 H GLU A 72 0.126 -8.002 -5.099 1.00 0.00 H new ATOM 0 HA GLU A 72 2.395 -9.564 -5.761 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.555 -9.423 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.167 -9.540 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.040 -6.978 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.280 -6.993 -8.224 1.00 0.00 H new ATOM 245 N PHE A 73 2.608 -6.322 -6.354 1.00 0.00 N ATOM 246 CA PHE A 73 3.570 -5.269 -6.671 1.00 0.00 C ATOM 247 C PHE A 73 4.868 -5.507 -5.903 1.00 0.00 C ATOM 248 O PHE A 73 5.952 -5.526 -6.489 1.00 0.00 O ATOM 249 CB PHE A 73 2.993 -3.889 -6.310 1.00 0.00 C ATOM 250 CG PHE A 73 2.657 -3.124 -7.573 1.00 0.00 C ATOM 251 CD1 PHE A 73 1.850 -3.715 -8.553 1.00 0.00 C ATOM 252 CD2 PHE A 73 3.152 -1.827 -7.762 1.00 0.00 C ATOM 253 CE1 PHE A 73 1.538 -3.009 -9.722 1.00 0.00 C ATOM 254 CE2 PHE A 73 2.839 -1.122 -8.930 1.00 0.00 C ATOM 255 CZ PHE A 73 2.032 -1.712 -9.909 1.00 0.00 C ATOM 0 H PHE A 73 1.674 -5.992 -6.110 1.00 0.00 H new ATOM 0 HA PHE A 73 3.775 -5.292 -7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.099 -4.008 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.714 -3.328 -5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.468 -4.715 -8.408 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.775 -1.371 -7.007 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.917 -3.465 -10.479 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.221 -0.122 -9.076 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.790 -1.167 -10.809 1.00 0.00 H new ATOM 265 N LEU A 74 4.749 -5.696 -4.592 1.00 0.00 N ATOM 266 CA LEU A 74 5.922 -5.942 -3.760 1.00 0.00 C ATOM 267 C LEU A 74 6.602 -7.243 -4.176 1.00 0.00 C ATOM 268 O LEU A 74 7.821 -7.293 -4.337 1.00 0.00 O ATOM 269 CB LEU A 74 5.520 -6.028 -2.286 1.00 0.00 C ATOM 270 CG LEU A 74 4.576 -4.875 -1.936 1.00 0.00 C ATOM 271 CD1 LEU A 74 4.332 -4.858 -0.425 1.00 0.00 C ATOM 272 CD2 LEU A 74 5.207 -3.547 -2.364 1.00 0.00 C ATOM 0 H LEU A 74 3.863 -5.684 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 74 6.617 -5.113 -3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.032 -6.982 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.408 -5.987 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 74 3.629 -5.011 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.660 -4.037 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.882 -5.802 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.280 -4.722 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.534 -2.727 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.155 -3.410 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.382 -3.557 -3.440 1.00 0.00 H new ATOM 284 N SER A 75 5.801 -8.290 -4.353 1.00 0.00 N ATOM 285 CA SER A 75 6.335 -9.586 -4.754 1.00 0.00 C ATOM 286 C SER A 75 7.293 -9.429 -5.929 1.00 0.00 C ATOM 287 O SER A 75 8.382 -10.002 -5.937 1.00 0.00 O ATOM 288 CB SER A 75 5.193 -10.522 -5.146 1.00 0.00 C ATOM 289 OG SER A 75 5.699 -11.840 -5.309 1.00 0.00 O ATOM 0 H SER A 75 4.789 -8.267 -4.226 1.00 0.00 H new ATOM 0 HA SER A 75 6.879 -10.011 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.419 -10.510 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.730 -10.181 -6.072 1.00 0.00 H new ATOM 0 HG SER A 75 4.968 -12.443 -5.559 1.00 0.00 H new ATOM 295 N ARG A 76 6.880 -8.644 -6.921 1.00 0.00 N ATOM 296 CA ARG A 76 7.713 -8.416 -8.096 1.00 0.00 C ATOM 297 C ARG A 76 8.967 -7.640 -7.715 1.00 0.00 C ATOM 298 O ARG A 76 10.074 -7.991 -8.123 1.00 0.00 O ATOM 299 CB ARG A 76 6.926 -7.638 -9.151 1.00 0.00 C ATOM 300 CG ARG A 76 5.765 -8.494 -9.659 1.00 0.00 C ATOM 301 CD ARG A 76 5.054 -7.768 -10.802 1.00 0.00 C ATOM 302 NE ARG A 76 3.823 -8.462 -11.154 1.00 0.00 N ATOM 303 CZ ARG A 76 3.850 -9.645 -11.762 1.00 0.00 C ATOM 304 NH1 ARG A 76 4.994 -10.202 -12.053 1.00 0.00 N ATOM 305 NH2 ARG A 76 2.735 -10.248 -12.066 1.00 0.00 N ATOM 0 H ARG A 76 5.982 -8.160 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 76 8.007 -9.382 -8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.547 -6.709 -8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.580 -7.365 -9.979 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.135 -9.460 -10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.064 -8.692 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.830 -6.743 -10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.710 -7.713 -11.671 1.00 0.00 H new ATOM 0 HE ARG A 76 2.925 -8.034 -10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.866 -9.730 -11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.016 -11.109 -12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.841 -9.813 -11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.756 -11.155 -12.532 1.00 0.00 H new ATOM 526 N TYR A 92 9.685 8.794 5.482 1.00 0.00 N ATOM 527 CA TYR A 92 8.675 9.375 4.602 1.00 0.00 C ATOM 528 C TYR A 92 7.276 8.987 5.072 1.00 0.00 C ATOM 529 O TYR A 92 6.882 7.824 4.985 1.00 0.00 O ATOM 530 CB TYR A 92 8.892 8.876 3.167 1.00 0.00 C ATOM 531 CG TYR A 92 9.745 9.864 2.402 1.00 0.00 C ATOM 532 CD1 TYR A 92 9.199 11.085 1.990 1.00 0.00 C ATOM 533 CD2 TYR A 92 11.076 9.557 2.105 1.00 0.00 C ATOM 534 CE1 TYR A 92 9.986 11.999 1.279 1.00 0.00 C ATOM 535 CE2 TYR A 92 11.865 10.471 1.393 1.00 0.00 C ATOM 536 CZ TYR A 92 11.319 11.692 0.981 1.00 0.00 C ATOM 537 OH TYR A 92 12.095 12.593 0.282 1.00 0.00 O ATOM 0 HA TYR A 92 8.768 10.461 4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.376 7.899 3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.931 8.749 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.171 11.322 2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.497 8.615 2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.565 12.941 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.893 10.233 1.163 1.00 0.00 H new ATOM 0 HH TYR A 92 12.995 12.225 0.161 1.00 0.00 H new ATOM 547 N ASP A 93 6.530 9.969 5.567 1.00 0.00 N ATOM 548 CA ASP A 93 5.173 9.720 6.046 1.00 0.00 C ATOM 549 C ASP A 93 4.158 10.047 4.957 1.00 0.00 C ATOM 550 O ASP A 93 3.753 11.198 4.796 1.00 0.00 O ATOM 551 CB ASP A 93 4.890 10.575 7.282 1.00 0.00 C ATOM 552 CG ASP A 93 5.065 12.052 6.945 1.00 0.00 C ATOM 553 OD1 ASP A 93 5.907 12.356 6.118 1.00 0.00 O ATOM 554 OD2 ASP A 93 4.352 12.857 7.520 1.00 0.00 O ATOM 0 H ASP A 93 6.838 10.938 5.647 1.00 0.00 H new ATOM 0 HA ASP A 93 5.086 8.665 6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.876 10.392 7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.566 10.295 8.090 1.00 0.00 H new ATOM 559 N LEU A 94 3.748 9.025 4.209 1.00 0.00 N ATOM 560 CA LEU A 94 2.777 9.215 3.135 1.00 0.00 C ATOM 561 C LEU A 94 1.372 8.872 3.619 1.00 0.00 C ATOM 562 O LEU A 94 0.503 8.510 2.827 1.00 0.00 O ATOM 563 CB LEU A 94 3.134 8.327 1.938 1.00 0.00 C ATOM 564 CG LEU A 94 4.647 8.353 1.700 1.00 0.00 C ATOM 565 CD1 LEU A 94 4.998 7.415 0.540 1.00 0.00 C ATOM 566 CD2 LEU A 94 5.083 9.778 1.351 1.00 0.00 C ATOM 0 H LEU A 94 4.070 8.064 4.325 1.00 0.00 H new ATOM 0 HA LEU A 94 2.803 10.261 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.804 7.305 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.611 8.676 1.047 1.00 0.00 H new ATOM 0 HG LEU A 94 5.162 8.024 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.075 7.433 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.687 6.400 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.483 7.744 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.160 9.798 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.567 10.105 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.833 10.447 2.174 1.00 0.00 H new ATOM 578 N SER A 95 1.158 8.985 4.926 1.00 0.00 N ATOM 579 CA SER A 95 -0.144 8.679 5.508 1.00 0.00 C ATOM 580 C SER A 95 -1.212 9.633 4.978 1.00 0.00 C ATOM 581 O SER A 95 -2.384 9.531 5.344 1.00 0.00 O ATOM 582 CB SER A 95 -0.073 8.789 7.031 1.00 0.00 C ATOM 583 OG SER A 95 -1.384 8.694 7.571 1.00 0.00 O ATOM 0 H SER A 95 1.864 9.284 5.598 1.00 0.00 H new ATOM 0 HA SER A 95 -0.413 7.661 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.557 7.997 7.435 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.383 9.737 7.318 1.00 0.00 H new ATOM 0 HG SER A 95 -2.038 8.673 6.841 1.00 0.00 H new ATOM 589 N LYS A 96 -0.800 10.560 4.117 1.00 0.00 N ATOM 590 CA LYS A 96 -1.729 11.529 3.542 1.00 0.00 C ATOM 591 C LYS A 96 -1.909 11.279 2.048 1.00 0.00 C ATOM 592 O LYS A 96 -2.643 12.001 1.372 1.00 0.00 O ATOM 593 CB LYS A 96 -1.202 12.949 3.761 1.00 0.00 C ATOM 594 CG LYS A 96 -0.764 13.110 5.218 1.00 0.00 C ATOM 595 CD LYS A 96 -0.570 14.595 5.533 1.00 0.00 C ATOM 596 CE LYS A 96 -0.233 14.764 7.015 1.00 0.00 C ATOM 597 NZ LYS A 96 -0.399 16.193 7.402 1.00 0.00 N ATOM 0 H LYS A 96 0.165 10.661 3.803 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.694 11.417 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.362 13.144 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.976 13.677 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.513 12.681 5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.165 12.566 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.231 15.006 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.476 15.150 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.884 14.134 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.791 14.441 7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.170 16.309 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.240 16.784 6.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.383 16.486 7.235 1.00 0.00 H new ATOM 611 N TRP A 97 -1.236 10.254 1.538 1.00 0.00 N ATOM 612 CA TRP A 97 -1.325 9.916 0.121 1.00 0.00 C ATOM 613 C TRP A 97 -2.440 8.902 -0.120 1.00 0.00 C ATOM 614 O TRP A 97 -2.845 8.182 0.792 1.00 0.00 O ATOM 615 CB TRP A 97 0.002 9.328 -0.361 1.00 0.00 C ATOM 616 CG TRP A 97 1.049 10.396 -0.378 1.00 0.00 C ATOM 617 CD1 TRP A 97 1.411 11.146 0.688 1.00 0.00 C ATOM 618 CD2 TRP A 97 1.876 10.841 -1.491 1.00 0.00 C ATOM 619 NE1 TRP A 97 2.409 12.022 0.299 1.00 0.00 N ATOM 620 CE2 TRP A 97 2.730 11.872 -1.035 1.00 0.00 C ATOM 621 CE3 TRP A 97 1.967 10.453 -2.840 1.00 0.00 C ATOM 622 CZ2 TRP A 97 3.642 12.496 -1.886 1.00 0.00 C ATOM 623 CZ3 TRP A 97 2.884 11.080 -3.700 1.00 0.00 C ATOM 624 CH2 TRP A 97 3.720 12.099 -3.223 1.00 0.00 C ATOM 0 H TRP A 97 -0.625 9.644 2.081 1.00 0.00 H new ATOM 0 HA TRP A 97 -1.546 10.828 -0.434 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.310 8.514 0.295 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.117 8.906 -1.359 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.990 11.073 1.680 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.853 12.696 0.922 1.00 0.00 H new ATOM 0 HE3 TRP A 97 1.328 9.668 -3.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 4.284 13.281 -1.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.945 10.775 -4.734 1.00 0.00 H new ATOM 0 HH2 TRP A 97 4.424 12.577 -3.889 1.00 0.00 H new ATOM 635 N LYS A 98 -2.927 8.849 -1.356 1.00 0.00 N ATOM 636 CA LYS A 98 -3.992 7.915 -1.713 1.00 0.00 C ATOM 637 C LYS A 98 -3.420 6.735 -2.491 1.00 0.00 C ATOM 638 O LYS A 98 -2.441 6.878 -3.225 1.00 0.00 O ATOM 639 CB LYS A 98 -5.052 8.626 -2.561 1.00 0.00 C ATOM 640 CG LYS A 98 -5.326 10.016 -1.981 1.00 0.00 C ATOM 641 CD LYS A 98 -5.782 9.883 -0.526 1.00 0.00 C ATOM 642 CE LYS A 98 -6.412 11.200 -0.066 1.00 0.00 C ATOM 643 NZ LYS A 98 -5.639 12.343 -0.628 1.00 0.00 N ATOM 0 H LYS A 98 -2.604 9.438 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.453 7.547 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.709 8.712 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.971 8.040 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.426 10.628 -2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.092 10.522 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.503 9.071 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.934 9.631 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.450 11.253 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.418 11.252 1.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.832 13.200 -0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.622 12.127 -0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.922 12.501 -1.616 1.00 0.00 H new ATOM 657 N TYR A 99 -4.035 5.569 -2.326 1.00 0.00 N ATOM 658 CA TYR A 99 -3.576 4.369 -3.016 1.00 0.00 C ATOM 659 C TYR A 99 -3.221 4.683 -4.467 1.00 0.00 C ATOM 660 O TYR A 99 -2.213 4.202 -4.987 1.00 0.00 O ATOM 661 CB TYR A 99 -4.668 3.294 -2.969 1.00 0.00 C ATOM 662 CG TYR A 99 -4.326 2.170 -3.922 1.00 0.00 C ATOM 663 CD1 TYR A 99 -3.111 1.486 -3.792 1.00 0.00 C ATOM 664 CD2 TYR A 99 -5.224 1.815 -4.936 1.00 0.00 C ATOM 665 CE1 TYR A 99 -2.794 0.448 -4.676 1.00 0.00 C ATOM 666 CE2 TYR A 99 -4.908 0.774 -5.819 1.00 0.00 C ATOM 667 CZ TYR A 99 -3.693 0.091 -5.688 1.00 0.00 C ATOM 668 OH TYR A 99 -3.381 -0.934 -6.559 1.00 0.00 O ATOM 0 H TYR A 99 -4.847 5.429 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.682 4.001 -2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.765 2.906 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -5.631 3.729 -3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.418 1.759 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.160 2.344 -5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.856 -0.078 -4.577 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.601 0.499 -6.600 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.113 -1.053 -7.199 1.00 0.00 H new ATOM 678 N ALA A 100 -4.054 5.490 -5.116 1.00 0.00 N ATOM 679 CA ALA A 100 -3.820 5.860 -6.508 1.00 0.00 C ATOM 680 C ALA A 100 -2.569 6.725 -6.632 1.00 0.00 C ATOM 681 O ALA A 100 -1.802 6.594 -7.586 1.00 0.00 O ATOM 682 CB ALA A 100 -5.027 6.624 -7.054 1.00 0.00 C ATOM 0 H ALA A 100 -4.893 5.899 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.674 4.948 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.845 6.897 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.914 5.993 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.183 7.527 -6.464 1.00 0.00 H new ATOM 688 N GLU A 101 -2.371 7.610 -5.662 1.00 0.00 N ATOM 689 CA GLU A 101 -1.212 8.494 -5.674 1.00 0.00 C ATOM 690 C GLU A 101 0.072 7.698 -5.475 1.00 0.00 C ATOM 691 O GLU A 101 1.058 7.909 -6.180 1.00 0.00 O ATOM 692 CB GLU A 101 -1.344 9.540 -4.564 1.00 0.00 C ATOM 693 CG GLU A 101 -2.611 10.371 -4.787 1.00 0.00 C ATOM 694 CD GLU A 101 -2.324 11.518 -5.752 1.00 0.00 C ATOM 695 OE1 GLU A 101 -1.429 11.370 -6.568 1.00 0.00 O ATOM 696 OE2 GLU A 101 -3.004 12.527 -5.660 1.00 0.00 O ATOM 0 H GLU A 101 -2.993 7.734 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.169 8.993 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.386 9.049 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.468 10.189 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.404 9.739 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.968 10.766 -3.836 1.00 0.00 H new ATOM 703 N LEU A 102 0.055 6.783 -4.513 1.00 0.00 N ATOM 704 CA LEU A 102 1.226 5.961 -4.230 1.00 0.00 C ATOM 705 C LEU A 102 1.606 5.127 -5.450 1.00 0.00 C ATOM 706 O LEU A 102 2.693 5.289 -6.009 1.00 0.00 O ATOM 707 CB LEU A 102 0.939 5.037 -3.044 1.00 0.00 C ATOM 708 CG LEU A 102 0.628 5.876 -1.799 1.00 0.00 C ATOM 709 CD1 LEU A 102 0.152 4.954 -0.673 1.00 0.00 C ATOM 710 CD2 LEU A 102 1.887 6.629 -1.346 1.00 0.00 C ATOM 0 H LEU A 102 -0.752 6.592 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 102 2.059 6.620 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.097 4.385 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.798 4.394 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.152 6.598 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.070 5.547 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.747 4.426 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.934 4.231 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.657 7.223 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.674 5.913 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.225 7.287 -2.146 1.00 0.00 H new ATOM 722 N ARG A 103 0.710 4.233 -5.858 1.00 0.00 N ATOM 723 CA ARG A 103 0.970 3.381 -7.013 1.00 0.00 C ATOM 724 C ARG A 103 1.377 4.226 -8.219 1.00 0.00 C ATOM 725 O ARG A 103 2.232 3.829 -9.013 1.00 0.00 O ATOM 726 CB ARG A 103 -0.276 2.561 -7.352 1.00 0.00 C ATOM 727 CG ARG A 103 -1.374 3.488 -7.872 1.00 0.00 C ATOM 728 CD ARG A 103 -2.694 2.717 -7.969 1.00 0.00 C ATOM 729 NE ARG A 103 -3.602 3.384 -8.897 1.00 0.00 N ATOM 730 CZ ARG A 103 -4.625 2.736 -9.442 1.00 0.00 C ATOM 731 NH1 ARG A 103 -4.832 1.481 -9.152 1.00 0.00 N ATOM 732 NH2 ARG A 103 -5.422 3.355 -10.269 1.00 0.00 N ATOM 0 H ARG A 103 -0.194 4.081 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 103 1.788 2.704 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.035 1.809 -8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.625 2.028 -6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.488 4.343 -7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.098 3.882 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.504 1.698 -8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.156 2.647 -6.984 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.448 4.365 -9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.208 0.997 -8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.618 0.984 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.259 4.336 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.208 2.858 -10.688 1.00 0.00 H new ATOM 746 N ASP A 104 0.761 5.395 -8.348 1.00 0.00 N ATOM 747 CA ASP A 104 1.069 6.287 -9.458 1.00 0.00 C ATOM 748 C ASP A 104 2.501 6.798 -9.347 1.00 0.00 C ATOM 749 O ASP A 104 3.271 6.735 -10.304 1.00 0.00 O ATOM 750 CB ASP A 104 0.101 7.467 -9.461 1.00 0.00 C ATOM 751 CG ASP A 104 0.524 8.491 -10.511 1.00 0.00 C ATOM 752 OD1 ASP A 104 1.600 9.047 -10.365 1.00 0.00 O ATOM 753 OD2 ASP A 104 -0.234 8.702 -11.444 1.00 0.00 O ATOM 0 H ASP A 104 0.052 5.745 -7.704 1.00 0.00 H new ATOM 0 HA ASP A 104 0.964 5.732 -10.390 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.910 7.117 -9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.080 7.933 -8.476 1.00 0.00 H new ATOM 758 N THR A 105 2.849 7.307 -8.172 1.00 0.00 N ATOM 759 CA THR A 105 4.190 7.829 -7.946 1.00 0.00 C ATOM 760 C THR A 105 5.242 6.810 -8.370 1.00 0.00 C ATOM 761 O THR A 105 6.085 7.097 -9.219 1.00 0.00 O ATOM 762 CB THR A 105 4.377 8.177 -6.467 1.00 0.00 C ATOM 763 OG1 THR A 105 3.202 8.807 -5.978 1.00 0.00 O ATOM 764 CG2 THR A 105 5.568 9.125 -6.310 1.00 0.00 C ATOM 0 H THR A 105 2.226 7.369 -7.366 1.00 0.00 H new ATOM 0 HA THR A 105 4.312 8.730 -8.547 1.00 0.00 H new ATOM 0 HB THR A 105 4.564 7.265 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.581 8.127 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.700 9.372 -5.257 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.470 8.641 -6.685 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.384 10.038 -6.876 1.00 0.00 H new ATOM 772 N ILE A 106 5.192 5.621 -7.776 1.00 0.00 N ATOM 773 CA ILE A 106 6.156 4.581 -8.110 1.00 0.00 C ATOM 774 C ILE A 106 6.084 4.232 -9.592 1.00 0.00 C ATOM 775 O ILE A 106 7.088 3.860 -10.199 1.00 0.00 O ATOM 776 CB ILE A 106 5.899 3.328 -7.272 1.00 0.00 C ATOM 777 CG1 ILE A 106 4.522 2.760 -7.605 1.00 0.00 C ATOM 778 CG2 ILE A 106 5.947 3.694 -5.789 1.00 0.00 C ATOM 779 CD1 ILE A 106 4.233 1.567 -6.694 1.00 0.00 C ATOM 0 H ILE A 106 4.504 5.357 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 106 7.153 4.961 -7.888 1.00 0.00 H new ATOM 0 HB ILE A 106 6.662 2.582 -7.494 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.758 3.526 -7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 106 4.486 2.451 -8.650 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.764 2.803 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.929 4.100 -5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.182 4.440 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.250 1.159 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.991 0.799 -6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.252 1.891 -5.653 1.00 0.00 H new ATOM 791 N ASN A 107 4.895 4.356 -10.173 1.00 0.00 N ATOM 792 CA ASN A 107 4.722 4.047 -11.586 1.00 0.00 C ATOM 793 C ASN A 107 5.464 5.061 -12.456 1.00 0.00 C ATOM 794 O ASN A 107 5.912 4.735 -13.554 1.00 0.00 O ATOM 795 CB ASN A 107 3.233 4.054 -11.936 1.00 0.00 C ATOM 796 CG ASN A 107 2.672 2.634 -11.906 1.00 0.00 C ATOM 797 OD1 ASN A 107 3.291 1.710 -12.433 1.00 0.00 O ATOM 798 ND2 ASN A 107 1.531 2.405 -11.315 1.00 0.00 N ATOM 0 H ASN A 107 4.048 4.664 -9.695 1.00 0.00 H new ATOM 0 HA ASN A 107 5.137 3.058 -11.779 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.690 4.681 -11.229 1.00 0.00 H new ATOM 0 HB3 ASN A 107 3.087 4.488 -12.925 1.00 0.00 H new ATOM 0 HD21 ASN A 107 1.151 1.459 -11.289 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.020 3.172 -10.879 1.00 0.00 H new ATOM 805 N THR A 108 5.588 6.292 -11.961 1.00 0.00 N ATOM 806 CA THR A 108 6.275 7.342 -12.713 1.00 0.00 C ATOM 807 C THR A 108 7.283 8.078 -11.834 1.00 0.00 C ATOM 808 O THR A 108 7.358 9.306 -11.858 1.00 0.00 O ATOM 809 CB THR A 108 5.258 8.343 -13.269 1.00 0.00 C ATOM 810 OG1 THR A 108 5.945 9.479 -13.775 1.00 0.00 O ATOM 811 CG2 THR A 108 4.295 8.780 -12.161 1.00 0.00 C ATOM 0 H THR A 108 5.227 6.585 -11.053 1.00 0.00 H new ATOM 0 HA THR A 108 6.811 6.869 -13.536 1.00 0.00 H new ATOM 0 HB THR A 108 4.689 7.870 -14.070 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.381 9.953 -13.037 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.575 9.492 -12.565 1.00 0.00 H new ATOM 0 HG22 THR A 108 3.766 7.909 -11.774 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.858 9.251 -11.355 1.00 0.00 H new ATOM 819 N SER A 109 8.063 7.321 -11.067 1.00 0.00 N ATOM 820 CA SER A 109 9.074 7.915 -10.191 1.00 0.00 C ATOM 821 C SER A 109 10.420 7.225 -10.385 1.00 0.00 C ATOM 822 O SER A 109 10.515 6.214 -11.079 1.00 0.00 O ATOM 823 CB SER A 109 8.643 7.789 -8.730 1.00 0.00 C ATOM 824 OG SER A 109 9.744 8.104 -7.888 1.00 0.00 O ATOM 0 H SER A 109 8.017 6.303 -11.032 1.00 0.00 H new ATOM 0 HA SER A 109 9.175 8.969 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 109 7.810 8.461 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.293 6.777 -8.528 1.00 0.00 H new ATOM 0 HG SER A 109 9.471 8.026 -6.950 1.00 0.00 H new ATOM 830 N CYS A 110 11.460 7.782 -9.769 1.00 0.00 N ATOM 831 CA CYS A 110 12.797 7.212 -9.882 1.00 0.00 C ATOM 832 C CYS A 110 13.607 7.486 -8.618 1.00 0.00 C ATOM 833 O CYS A 110 14.837 7.534 -8.656 1.00 0.00 O ATOM 834 CB CYS A 110 13.519 7.811 -11.091 1.00 0.00 C ATOM 835 SG CYS A 110 15.106 6.975 -11.324 1.00 0.00 S ATOM 0 H CYS A 110 11.403 8.621 -9.191 1.00 0.00 H new ATOM 0 HA CYS A 110 12.701 6.134 -10.012 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.905 7.703 -11.985 1.00 0.00 H new ATOM 0 HB3 CYS A 110 13.677 8.879 -10.941 1.00 0.00 H new ATOM 0 HG CYS A 110 15.716 6.875 -10.180 1.00 0.00 H new ATOM 841 N ASP A 111 12.910 7.663 -7.499 1.00 0.00 N ATOM 842 CA ASP A 111 13.573 7.929 -6.225 1.00 0.00 C ATOM 843 C ASP A 111 13.558 6.673 -5.356 1.00 0.00 C ATOM 844 O ASP A 111 12.499 6.125 -5.061 1.00 0.00 O ATOM 845 CB ASP A 111 12.864 9.079 -5.498 1.00 0.00 C ATOM 846 CG ASP A 111 13.507 10.412 -5.870 1.00 0.00 C ATOM 847 OD1 ASP A 111 14.018 10.513 -6.973 1.00 0.00 O ATOM 848 OD2 ASP A 111 13.479 11.311 -5.046 1.00 0.00 O ATOM 0 H ASP A 111 11.892 7.627 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 111 14.608 8.214 -6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.807 9.090 -5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 111 12.921 8.928 -4.420 1.00 0.00 H new ATOM 853 N ILE A 112 14.739 6.219 -4.956 1.00 0.00 N ATOM 854 CA ILE A 112 14.847 5.021 -4.132 1.00 0.00 C ATOM 855 C ILE A 112 14.102 5.195 -2.812 1.00 0.00 C ATOM 856 O ILE A 112 13.133 4.489 -2.539 1.00 0.00 O ATOM 857 CB ILE A 112 16.319 4.712 -3.851 1.00 0.00 C ATOM 858 CG1 ILE A 112 17.083 4.576 -5.181 1.00 0.00 C ATOM 859 CG2 ILE A 112 16.425 3.411 -3.051 1.00 0.00 C ATOM 860 CD1 ILE A 112 16.964 3.145 -5.718 1.00 0.00 C ATOM 0 H ILE A 112 15.630 6.658 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 112 14.396 4.193 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 112 16.757 5.525 -3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 112 16.684 5.280 -5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 112 18.133 4.830 -5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 112 17.474 3.191 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 112 15.891 3.520 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 112 15.986 2.594 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 112 17.509 3.063 -6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 112 17.385 2.448 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.914 2.905 -5.885 1.00 0.00 H new ATOM 872 N GLU A 113 14.566 6.134 -1.993 1.00 0.00 N ATOM 873 CA GLU A 113 13.935 6.384 -0.701 1.00 0.00 C ATOM 874 C GLU A 113 12.419 6.474 -0.849 1.00 0.00 C ATOM 875 O GLU A 113 11.674 5.867 -0.079 1.00 0.00 O ATOM 876 CB GLU A 113 14.474 7.682 -0.093 1.00 0.00 C ATOM 877 CG GLU A 113 14.627 8.743 -1.186 1.00 0.00 C ATOM 878 CD GLU A 113 15.109 10.054 -0.576 1.00 0.00 C ATOM 879 OE1 GLU A 113 15.539 10.031 0.565 1.00 0.00 O ATOM 880 OE2 GLU A 113 15.041 11.063 -1.259 1.00 0.00 O ATOM 0 H GLU A 113 15.369 6.729 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 113 14.172 5.552 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.796 8.040 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.436 7.498 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.336 8.401 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 113 13.674 8.896 -1.691 1.00 0.00 H new ATOM 887 N LEU A 114 11.967 7.235 -1.839 1.00 0.00 N ATOM 888 CA LEU A 114 10.539 7.399 -2.076 1.00 0.00 C ATOM 889 C LEU A 114 9.907 6.047 -2.407 1.00 0.00 C ATOM 890 O LEU A 114 9.029 5.568 -1.687 1.00 0.00 O ATOM 891 CB LEU A 114 10.327 8.388 -3.233 1.00 0.00 C ATOM 892 CG LEU A 114 8.834 8.713 -3.432 1.00 0.00 C ATOM 893 CD1 LEU A 114 8.095 7.496 -4.004 1.00 0.00 C ATOM 894 CD2 LEU A 114 8.195 9.124 -2.098 1.00 0.00 C ATOM 0 H LEU A 114 12.566 7.746 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 114 10.062 7.792 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.877 9.307 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 114 10.734 7.967 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 114 8.754 9.542 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.041 7.741 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.531 7.225 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 114 8.187 6.657 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.140 9.351 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 114 8.288 8.307 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.702 10.007 -1.708 1.00 0.00 H new ATOM 906 N LEU A 115 10.362 5.440 -3.498 1.00 0.00 N ATOM 907 CA LEU A 115 9.844 4.142 -3.917 1.00 0.00 C ATOM 908 C LEU A 115 9.663 3.232 -2.703 1.00 0.00 C ATOM 909 O LEU A 115 8.646 2.550 -2.571 1.00 0.00 O ATOM 910 CB LEU A 115 10.821 3.486 -4.910 1.00 0.00 C ATOM 911 CG LEU A 115 10.398 3.747 -6.368 1.00 0.00 C ATOM 912 CD1 LEU A 115 9.288 2.770 -6.768 1.00 0.00 C ATOM 913 CD2 LEU A 115 9.902 5.191 -6.538 1.00 0.00 C ATOM 0 H LEU A 115 11.085 5.824 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 115 8.878 4.288 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.826 3.875 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.861 2.412 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 115 11.264 3.598 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.992 2.958 -7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.653 1.747 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.428 2.908 -6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.608 5.355 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.045 5.360 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.701 5.884 -6.273 1.00 0.00 H new ATOM 925 N ALA A 116 10.657 3.232 -1.820 1.00 0.00 N ATOM 926 CA ALA A 116 10.597 2.405 -0.620 1.00 0.00 C ATOM 927 C ALA A 116 9.431 2.833 0.263 1.00 0.00 C ATOM 928 O ALA A 116 8.689 1.998 0.779 1.00 0.00 O ATOM 929 CB ALA A 116 11.903 2.532 0.163 1.00 0.00 C ATOM 0 H ALA A 116 11.506 3.790 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 116 10.451 1.367 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.852 1.912 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.734 2.202 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 116 12.055 3.572 0.450 1.00 0.00 H new ATOM 935 N ALA A 117 9.278 4.141 0.431 1.00 0.00 N ATOM 936 CA ALA A 117 8.200 4.675 1.251 1.00 0.00 C ATOM 937 C ALA A 117 6.857 4.106 0.807 1.00 0.00 C ATOM 938 O ALA A 117 6.125 3.522 1.605 1.00 0.00 O ATOM 939 CB ALA A 117 8.173 6.200 1.141 1.00 0.00 C ATOM 0 H ALA A 117 9.883 4.847 0.013 1.00 0.00 H new ATOM 0 HA ALA A 117 8.377 4.387 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 117 7.365 6.595 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.124 6.607 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.011 6.487 0.102 1.00 0.00 H new ATOM 945 N CYS A 118 6.541 4.282 -0.470 1.00 0.00 N ATOM 946 CA CYS A 118 5.282 3.780 -1.012 1.00 0.00 C ATOM 947 C CYS A 118 5.141 2.285 -0.742 1.00 0.00 C ATOM 948 O CYS A 118 4.189 1.846 -0.092 1.00 0.00 O ATOM 949 CB CYS A 118 5.222 4.033 -2.518 1.00 0.00 C ATOM 950 SG CYS A 118 5.327 5.810 -2.837 1.00 0.00 S ATOM 0 H CYS A 118 7.133 4.764 -1.146 1.00 0.00 H new ATOM 0 HA CYS A 118 4.463 4.307 -0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.040 3.514 -3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 118 4.294 3.634 -2.928 1.00 0.00 H new ATOM 0 HG CYS A 118 5.278 6.024 -4.118 1.00 0.00 H new ATOM 956 N ARG A 119 6.091 1.507 -1.248 1.00 0.00 N ATOM 957 CA ARG A 119 6.062 0.062 -1.058 1.00 0.00 C ATOM 958 C ARG A 119 5.797 -0.278 0.404 1.00 0.00 C ATOM 959 O ARG A 119 4.986 -1.151 0.711 1.00 0.00 O ATOM 960 CB ARG A 119 7.398 -0.550 -1.497 1.00 0.00 C ATOM 961 CG ARG A 119 7.405 -0.746 -3.015 1.00 0.00 C ATOM 962 CD ARG A 119 8.710 -1.424 -3.438 1.00 0.00 C ATOM 963 NE ARG A 119 9.832 -0.505 -3.275 1.00 0.00 N ATOM 964 CZ ARG A 119 11.080 -0.952 -3.202 1.00 0.00 C ATOM 965 NH1 ARG A 119 11.320 -2.233 -3.272 1.00 0.00 N ATOM 966 NH2 ARG A 119 12.068 -0.111 -3.059 1.00 0.00 N ATOM 0 H ARG A 119 6.885 1.849 -1.789 1.00 0.00 H new ATOM 0 HA ARG A 119 5.258 -0.352 -1.666 1.00 0.00 H new ATOM 0 HB2 ARG A 119 8.221 0.101 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 119 7.552 -1.506 -0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.553 -1.354 -3.317 1.00 0.00 H new ATOM 0 HG3 ARG A 119 7.304 0.216 -3.517 1.00 0.00 H new ATOM 0 HD2 ARG A 119 8.874 -2.319 -2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 119 8.641 -1.745 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 119 9.654 0.498 -3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.549 -2.891 -3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 119 12.279 -2.576 -3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 119 11.881 0.890 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 119 13.027 -0.455 -3.003 1.00 0.00 H new ATOM 980 N GLU A 120 6.484 0.418 1.304 1.00 0.00 N ATOM 981 CA GLU A 120 6.308 0.178 2.731 1.00 0.00 C ATOM 982 C GLU A 120 4.859 0.426 3.135 1.00 0.00 C ATOM 983 O GLU A 120 4.241 -0.403 3.804 1.00 0.00 O ATOM 984 CB GLU A 120 7.233 1.092 3.538 1.00 0.00 C ATOM 985 CG GLU A 120 8.674 0.589 3.427 1.00 0.00 C ATOM 986 CD GLU A 120 8.873 -0.628 4.324 1.00 0.00 C ATOM 987 OE1 GLU A 120 7.907 -1.052 4.935 1.00 0.00 O ATOM 988 OE2 GLU A 120 9.989 -1.116 4.387 1.00 0.00 O ATOM 0 H GLU A 120 7.161 1.145 1.074 1.00 0.00 H new ATOM 0 HA GLU A 120 6.561 -0.861 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 120 7.164 2.115 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.923 1.110 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.898 0.329 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.367 1.380 3.714 1.00 0.00 H new ATOM 995 N GLU A 121 4.317 1.568 2.719 1.00 0.00 N ATOM 996 CA GLU A 121 2.934 1.901 3.041 1.00 0.00 C ATOM 997 C GLU A 121 2.032 0.713 2.730 1.00 0.00 C ATOM 998 O GLU A 121 1.244 0.279 3.570 1.00 0.00 O ATOM 999 CB GLU A 121 2.482 3.125 2.232 1.00 0.00 C ATOM 1000 CG GLU A 121 2.376 4.349 3.147 1.00 0.00 C ATOM 1001 CD GLU A 121 3.750 4.701 3.710 1.00 0.00 C ATOM 1002 OE1 GLU A 121 4.659 3.905 3.536 1.00 0.00 O ATOM 1003 OE2 GLU A 121 3.871 5.759 4.303 1.00 0.00 O ATOM 0 H GLU A 121 4.808 2.270 2.165 1.00 0.00 H new ATOM 0 HA GLU A 121 2.865 2.136 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.192 3.322 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.518 2.926 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.974 5.196 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.681 4.145 3.962 1.00 0.00 H new ATOM 1010 N PHE A 122 2.158 0.188 1.514 1.00 0.00 N ATOM 1011 CA PHE A 122 1.354 -0.955 1.104 1.00 0.00 C ATOM 1012 C PHE A 122 1.539 -2.109 2.084 1.00 0.00 C ATOM 1013 O PHE A 122 0.591 -2.549 2.727 1.00 0.00 O ATOM 1014 CB PHE A 122 1.763 -1.416 -0.297 1.00 0.00 C ATOM 1015 CG PHE A 122 1.583 -0.305 -1.316 1.00 0.00 C ATOM 1016 CD1 PHE A 122 0.576 0.664 -1.167 1.00 0.00 C ATOM 1017 CD2 PHE A 122 2.430 -0.261 -2.430 1.00 0.00 C ATOM 1018 CE1 PHE A 122 0.425 1.669 -2.133 1.00 0.00 C ATOM 1019 CE2 PHE A 122 2.276 0.746 -3.390 1.00 0.00 C ATOM 1020 CZ PHE A 122 1.273 1.709 -3.243 1.00 0.00 C ATOM 0 H PHE A 122 2.803 0.533 0.803 1.00 0.00 H new ATOM 0 HA PHE A 122 0.307 -0.651 1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 122 2.804 -1.738 -0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 122 1.165 -2.280 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.080 0.635 -0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.203 -1.005 -2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.349 2.414 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 122 2.933 0.779 -4.246 1.00 0.00 H new ATOM 0 HZ PHE A 122 1.154 2.483 -3.987 1.00 0.00 H new ATOM 1030 N HIS A 123 2.767 -2.595 2.189 1.00 0.00 N ATOM 1031 CA HIS A 123 3.069 -3.702 3.089 1.00 0.00 C ATOM 1032 C HIS A 123 2.352 -3.538 4.426 1.00 0.00 C ATOM 1033 O HIS A 123 1.807 -4.497 4.971 1.00 0.00 O ATOM 1034 CB HIS A 123 4.577 -3.766 3.329 1.00 0.00 C ATOM 1035 CG HIS A 123 4.885 -4.852 4.324 1.00 0.00 C ATOM 1036 ND1 HIS A 123 4.520 -6.171 4.113 1.00 0.00 N ATOM 1037 CD2 HIS A 123 5.523 -4.828 5.540 1.00 0.00 C ATOM 1038 CE1 HIS A 123 4.936 -6.882 5.177 1.00 0.00 C ATOM 1039 NE2 HIS A 123 5.554 -6.111 6.076 1.00 0.00 N ATOM 0 H HIS A 123 3.568 -2.243 1.665 1.00 0.00 H new ATOM 0 HA HIS A 123 2.722 -4.625 2.624 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.097 -3.961 2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 123 4.937 -2.806 3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.937 -3.947 6.008 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.788 -7.946 5.290 1.00 0.00 H new ATOM 0 HE2 HIS A 123 5.961 -6.401 6.965 1.00 0.00 H new ATOM 1047 N ARG A 124 2.375 -2.320 4.956 1.00 0.00 N ATOM 1048 CA ARG A 124 1.741 -2.044 6.241 1.00 0.00 C ATOM 1049 C ARG A 124 0.225 -2.220 6.171 1.00 0.00 C ATOM 1050 O ARG A 124 -0.338 -3.078 6.851 1.00 0.00 O ATOM 1051 CB ARG A 124 2.065 -0.615 6.682 1.00 0.00 C ATOM 1052 CG ARG A 124 3.518 -0.543 7.161 1.00 0.00 C ATOM 1053 CD ARG A 124 3.894 0.914 7.432 1.00 0.00 C ATOM 1054 NE ARG A 124 2.944 1.516 8.361 1.00 0.00 N ATOM 1055 CZ ARG A 124 3.176 2.706 8.905 1.00 0.00 C ATOM 1056 NH1 ARG A 124 4.269 3.356 8.614 1.00 0.00 N ATOM 1057 NH2 ARG A 124 2.310 3.225 9.734 1.00 0.00 N ATOM 0 H ARG A 124 2.822 -1.513 4.520 1.00 0.00 H new ATOM 0 HA ARG A 124 2.134 -2.758 6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 124 1.910 0.076 5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 124 1.392 -0.309 7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.643 -1.137 8.067 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.182 -0.967 6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 124 4.901 0.966 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.904 1.474 6.497 1.00 0.00 H new ATOM 0 HE ARG A 124 2.087 1.015 8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.947 2.951 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 124 4.446 4.269 9.032 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.456 2.717 9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 124 2.488 4.138 10.152 1.00 0.00 H new ATOM 1071 N ARG A 125 -0.430 -1.394 5.363 1.00 0.00 N ATOM 1072 CA ARG A 125 -1.884 -1.463 5.240 1.00 0.00 C ATOM 1073 C ARG A 125 -2.330 -2.835 4.738 1.00 0.00 C ATOM 1074 O ARG A 125 -3.497 -3.201 4.876 1.00 0.00 O ATOM 1075 CB ARG A 125 -2.394 -0.359 4.304 1.00 0.00 C ATOM 1076 CG ARG A 125 -2.143 -0.745 2.846 1.00 0.00 C ATOM 1077 CD ARG A 125 -2.210 0.507 1.967 1.00 0.00 C ATOM 1078 NE ARG A 125 -1.260 1.508 2.442 1.00 0.00 N ATOM 1079 CZ ARG A 125 -1.457 2.805 2.220 1.00 0.00 C ATOM 1080 NH1 ARG A 125 -2.510 3.203 1.561 1.00 0.00 N ATOM 1081 NH2 ARG A 125 -0.595 3.680 2.663 1.00 0.00 N ATOM 0 H ARG A 125 0.014 -0.677 4.789 1.00 0.00 H new ATOM 0 HA ARG A 125 -2.314 -1.311 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -3.460 -0.198 4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.891 0.581 4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.167 -1.220 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.886 -1.472 2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.988 0.246 0.932 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.220 0.917 1.982 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.430 1.208 2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.184 2.520 1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -2.660 4.198 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.228 3.369 3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.745 4.675 2.493 1.00 0.00 H new ATOM 1095 N LEU A 126 -1.398 -3.597 4.171 1.00 0.00 N ATOM 1096 CA LEU A 126 -1.723 -4.931 3.675 1.00 0.00 C ATOM 1097 C LEU A 126 -1.856 -5.895 4.847 1.00 0.00 C ATOM 1098 O LEU A 126 -2.905 -6.507 5.044 1.00 0.00 O ATOM 1099 CB LEU A 126 -0.624 -5.430 2.715 1.00 0.00 C ATOM 1100 CG LEU A 126 -1.081 -5.323 1.250 1.00 0.00 C ATOM 1101 CD1 LEU A 126 -2.373 -6.127 1.033 1.00 0.00 C ATOM 1102 CD2 LEU A 126 -1.317 -3.851 0.887 1.00 0.00 C ATOM 0 H LEU A 126 -0.425 -3.319 4.045 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.667 -4.884 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.284 -4.844 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.376 -6.466 2.948 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.302 -5.733 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.684 -6.042 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.194 -7.175 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.158 -5.735 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.641 -3.780 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.087 -3.435 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.391 -3.291 1.018 1.00 0.00 H new ATOM 1114 N LYS A 127 -0.787 -6.018 5.626 1.00 0.00 N ATOM 1115 CA LYS A 127 -0.798 -6.902 6.781 1.00 0.00 C ATOM 1116 C LYS A 127 -1.988 -6.581 7.675 1.00 0.00 C ATOM 1117 O LYS A 127 -2.760 -7.468 8.045 1.00 0.00 O ATOM 1118 CB LYS A 127 0.498 -6.736 7.576 1.00 0.00 C ATOM 1119 CG LYS A 127 1.663 -7.380 6.814 1.00 0.00 C ATOM 1120 CD LYS A 127 1.765 -8.869 7.175 1.00 0.00 C ATOM 1121 CE LYS A 127 2.575 -9.035 8.465 1.00 0.00 C ATOM 1122 NZ LYS A 127 2.738 -10.486 8.765 1.00 0.00 N ATOM 0 H LYS A 127 0.091 -5.520 5.479 1.00 0.00 H new ATOM 0 HA LYS A 127 -0.880 -7.932 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.701 -5.678 7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.394 -7.198 8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.513 -7.267 5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.595 -6.872 7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.768 -9.291 7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 127 2.241 -9.418 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 127 3.552 -8.563 8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 127 2.069 -8.536 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 3.288 -10.600 9.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 1.802 -10.923 8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 3.238 -10.949 7.979 1.00 0.00 H new ATOM 1136 N VAL A 128 -2.132 -5.305 8.014 1.00 0.00 N ATOM 1137 CA VAL A 128 -3.234 -4.870 8.862 1.00 0.00 C ATOM 1138 C VAL A 128 -4.572 -5.191 8.202 1.00 0.00 C ATOM 1139 O VAL A 128 -5.500 -5.668 8.858 1.00 0.00 O ATOM 1140 CB VAL A 128 -3.137 -3.366 9.117 1.00 0.00 C ATOM 1141 CG1 VAL A 128 -4.224 -2.941 10.105 1.00 0.00 C ATOM 1142 CG2 VAL A 128 -1.761 -3.037 9.702 1.00 0.00 C ATOM 0 H VAL A 128 -1.504 -4.558 7.717 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.170 -5.402 9.811 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.273 -2.830 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -4.153 -1.868 10.285 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.204 -3.175 9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.091 -3.476 11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.690 -1.965 9.884 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -1.627 -3.574 10.641 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -0.985 -3.337 8.998 1.00 0.00 H new ATOM 1152 N TYR A 129 -4.662 -4.933 6.901 1.00 0.00 N ATOM 1153 CA TYR A 129 -5.890 -5.203 6.162 1.00 0.00 C ATOM 1154 C TYR A 129 -6.216 -6.693 6.208 1.00 0.00 C ATOM 1155 O TYR A 129 -7.377 -7.082 6.331 1.00 0.00 O ATOM 1156 CB TYR A 129 -5.729 -4.750 4.708 1.00 0.00 C ATOM 1157 CG TYR A 129 -6.821 -5.353 3.854 1.00 0.00 C ATOM 1158 CD1 TYR A 129 -8.165 -5.092 4.148 1.00 0.00 C ATOM 1159 CD2 TYR A 129 -6.490 -6.176 2.769 1.00 0.00 C ATOM 1160 CE1 TYR A 129 -9.176 -5.652 3.358 1.00 0.00 C ATOM 1161 CE2 TYR A 129 -7.500 -6.734 1.979 1.00 0.00 C ATOM 1162 CZ TYR A 129 -8.843 -6.473 2.274 1.00 0.00 C ATOM 1163 OH TYR A 129 -9.840 -7.025 1.495 1.00 0.00 O ATOM 0 H TYR A 129 -3.906 -4.540 6.340 1.00 0.00 H new ATOM 0 HA TYR A 129 -6.709 -4.650 6.622 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -5.770 -3.662 4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -4.752 -5.052 4.330 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -8.422 -4.459 4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -5.454 -6.379 2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -10.213 -5.451 3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -7.244 -7.366 1.142 1.00 0.00 H new ATOM 0 HH TYR A 129 -9.454 -7.362 0.660 1.00 0.00 H new ATOM 1173 N HIS A 130 -5.181 -7.520 6.113 1.00 0.00 N ATOM 1174 CA HIS A 130 -5.366 -8.965 6.147 1.00 0.00 C ATOM 1175 C HIS A 130 -5.729 -9.421 7.557 1.00 0.00 C ATOM 1176 O HIS A 130 -6.380 -10.449 7.740 1.00 0.00 O ATOM 1177 CB HIS A 130 -4.081 -9.666 5.698 1.00 0.00 C ATOM 1178 CG HIS A 130 -3.921 -9.516 4.210 1.00 0.00 C ATOM 1179 ND1 HIS A 130 -4.937 -9.829 3.321 1.00 0.00 N ATOM 1180 CD2 HIS A 130 -2.868 -9.088 3.440 1.00 0.00 C ATOM 1181 CE1 HIS A 130 -4.479 -9.587 2.080 1.00 0.00 C ATOM 1182 NE2 HIS A 130 -3.223 -9.134 2.095 1.00 0.00 N ATOM 0 H HIS A 130 -4.212 -7.217 6.013 1.00 0.00 H new ATOM 0 HA HIS A 130 -6.178 -9.227 5.469 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -3.221 -9.236 6.212 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -4.118 -10.722 5.966 1.00 0.00 H new ATOM 0 HD1 HIS A 130 -5.864 -10.179 3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -1.910 -8.765 3.820 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -5.057 -9.740 1.181 1.00 0.00 H new ATOM 1190 N ALA A 131 -5.309 -8.643 8.549 1.00 0.00 N ATOM 1191 CA ALA A 131 -5.598 -8.973 9.940 1.00 0.00 C ATOM 1192 C ALA A 131 -7.036 -8.608 10.280 1.00 0.00 C ATOM 1193 O ALA A 131 -7.803 -9.442 10.762 1.00 0.00 O ATOM 1194 CB ALA A 131 -4.643 -8.218 10.867 1.00 0.00 C ATOM 0 H ALA A 131 -4.772 -7.786 8.418 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.461 -10.045 10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -4.866 -8.471 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.615 -8.500 10.638 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.766 -7.145 10.721 1.00 0.00 H new ATOM 1200 N TRP A 132 -7.397 -7.358 10.021 1.00 0.00 N ATOM 1201 CA TRP A 132 -8.749 -6.891 10.297 1.00 0.00 C ATOM 1202 C TRP A 132 -9.758 -7.695 9.479 1.00 0.00 C ATOM 1203 O TRP A 132 -10.866 -7.969 9.939 1.00 0.00 O ATOM 1204 CB TRP A 132 -8.861 -5.400 9.957 1.00 0.00 C ATOM 1205 CG TRP A 132 -10.296 -5.025 9.765 1.00 0.00 C ATOM 1206 CD1 TRP A 132 -11.093 -4.477 10.711 1.00 0.00 C ATOM 1207 CD2 TRP A 132 -11.113 -5.165 8.569 1.00 0.00 C ATOM 1208 NE1 TRP A 132 -12.351 -4.271 10.169 1.00 0.00 N ATOM 1209 CE2 TRP A 132 -12.411 -4.678 8.850 1.00 0.00 C ATOM 1210 CE3 TRP A 132 -10.854 -5.660 7.279 1.00 0.00 C ATOM 1211 CZ2 TRP A 132 -13.419 -4.685 7.885 1.00 0.00 C ATOM 1212 CZ3 TRP A 132 -11.865 -5.668 6.304 1.00 0.00 C ATOM 1213 CH2 TRP A 132 -13.145 -5.182 6.607 1.00 0.00 C ATOM 0 H TRP A 132 -6.777 -6.653 9.623 1.00 0.00 H new ATOM 0 HA TRP A 132 -8.967 -7.031 11.356 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -8.424 -4.802 10.757 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -8.295 -5.182 9.051 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -10.797 -4.239 11.722 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -13.136 -3.868 10.681 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -9.871 -6.037 7.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -14.403 -4.309 8.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -11.655 -6.050 5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -13.919 -5.192 5.854 1.00 0.00 H new ATOM 1224 N LYS A 133 -9.364 -8.074 8.267 1.00 0.00 N ATOM 1225 CA LYS A 133 -10.239 -8.851 7.397 1.00 0.00 C ATOM 1226 C LYS A 133 -10.360 -10.282 7.907 1.00 0.00 C ATOM 1227 O LYS A 133 -11.446 -10.863 7.910 1.00 0.00 O ATOM 1228 CB LYS A 133 -9.683 -8.860 5.972 1.00 0.00 C ATOM 1229 CG LYS A 133 -10.702 -9.500 5.021 1.00 0.00 C ATOM 1230 CD LYS A 133 -10.471 -8.981 3.602 1.00 0.00 C ATOM 1231 CE LYS A 133 -9.067 -9.371 3.135 1.00 0.00 C ATOM 1232 NZ LYS A 133 -8.858 -10.830 3.356 1.00 0.00 N ATOM 0 H LYS A 133 -8.451 -7.857 7.867 1.00 0.00 H new ATOM 0 HA LYS A 133 -11.227 -8.391 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.462 -7.842 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.745 -9.414 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -10.604 -10.585 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -11.716 -9.265 5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -11.218 -9.396 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -10.586 -7.897 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -8.943 -9.131 2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -8.318 -8.798 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -8.046 -11.154 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -8.672 -11.005 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -9.710 -11.351 3.065 1.00 0.00 H new ATOM 1246 N SER A 134 -9.237 -10.845 8.342 1.00 0.00 N ATOM 1247 CA SER A 134 -9.227 -12.209 8.858 1.00 0.00 C ATOM 1248 C SER A 134 -10.029 -12.295 10.150 1.00 0.00 C ATOM 1249 O SER A 134 -10.561 -13.349 10.495 1.00 0.00 O ATOM 1250 CB SER A 134 -7.790 -12.650 9.128 1.00 0.00 C ATOM 1251 OG SER A 134 -7.788 -14.001 9.570 1.00 0.00 O ATOM 0 H SER A 134 -8.328 -10.382 8.348 1.00 0.00 H new ATOM 0 HA SER A 134 -9.679 -12.864 8.113 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.191 -12.551 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.336 -12.008 9.883 1.00 0.00 H new ATOM 0 HG SER A 134 -6.867 -14.287 9.743 1.00 0.00 H new ATOM 1257 N LYS A 135 -10.101 -11.176 10.861 1.00 0.00 N ATOM 1258 CA LYS A 135 -10.831 -11.124 12.123 1.00 0.00 C ATOM 1259 C LYS A 135 -12.288 -10.744 11.887 1.00 0.00 C ATOM 1260 O LYS A 135 -13.184 -11.218 12.587 1.00 0.00 O ATOM 1261 CB LYS A 135 -10.172 -10.102 13.050 1.00 0.00 C ATOM 1262 CG LYS A 135 -8.885 -10.690 13.630 1.00 0.00 C ATOM 1263 CD LYS A 135 -8.101 -9.598 14.363 1.00 0.00 C ATOM 1264 CE LYS A 135 -6.659 -10.060 14.579 1.00 0.00 C ATOM 1265 NZ LYS A 135 -5.956 -9.094 15.471 1.00 0.00 N ATOM 0 H LYS A 135 -9.665 -10.296 10.587 1.00 0.00 H new ATOM 0 HA LYS A 135 -10.803 -12.111 12.586 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -9.950 -9.187 12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -10.856 -9.832 13.855 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -9.123 -11.503 14.316 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -8.276 -11.114 12.832 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -8.115 -8.675 13.784 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -8.571 -9.380 15.322 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.647 -11.056 15.022 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -6.141 -10.131 13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -4.975 -9.408 15.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -5.956 -8.152 15.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -6.446 -9.048 16.387 1.00 0.00 H new