USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 912 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 SER OG : rot 180:sc= -0.0794 USER MOD Set 1.2: A 105 ASN : amide:sc= -11.7! C(o=-12!,f=-15!) USER MOD Single : A 8 MET CE :methyl -170:sc= -1.27 (180deg=-1.85) USER MOD Single : A 16 SER OG : rot -108:sc= 0.167 USER MOD Single : A 19 CYS SG : rot 180:sc= -1.77 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 165:sc= -0.838 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 147:sc= -1.49! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.101 K(o=0.1,f=-1.8!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -129:sc= 0.594 (180deg=-0.0119) USER MOD Single : A 65 ASN : amide:sc= -2.72! C(o=-2.7!,f=-3.2!) USER MOD Single : A 67 LYS NZ :NH3+ -116:sc= -8.43! (180deg=-16!) USER MOD Single : A 77 TYR OH : rot 148:sc= -0.381 USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000687) USER MOD Single : A 85 CYS SG : rot 150:sc= -1.91 USER MOD Single : A 90 LYS NZ :NH3+ -138:sc= -0.948 (180deg=-1.64!) USER MOD Single : A 91 THR OG1 : rot 80:sc= -3.55! USER MOD Single : A 94 SER OG : rot 180:sc= -0.567 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -147:sc= -0.336 (180deg=-1.31!) USER MOD Single : A 125 SER OG : rot 180:sc= -0.021 USER MOD ----------------------------------------------------------------- ATOM 102 N MET A 8 -3.613 7.034 -11.420 1.00 0.00 N ATOM 103 CA MET A 8 -2.538 7.462 -10.526 1.00 0.00 C ATOM 104 C MET A 8 -1.788 6.270 -9.939 1.00 0.00 C ATOM 105 O MET A 8 -2.148 5.760 -8.879 1.00 0.00 O ATOM 106 CB MET A 8 -3.091 8.341 -9.396 1.00 0.00 C ATOM 107 CG MET A 8 -2.311 9.627 -9.190 1.00 0.00 C ATOM 108 SD MET A 8 -1.257 9.582 -7.728 1.00 0.00 S ATOM 109 CE MET A 8 0.192 10.444 -8.329 1.00 0.00 C ATOM 0 HA MET A 8 -1.835 8.046 -11.120 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.130 8.587 -9.614 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.086 7.770 -8.467 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.696 9.818 -10.069 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.009 10.459 -9.103 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.001 10.345 -7.605 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.502 10.014 -9.281 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.044 11.499 -8.467 1.00 0.00 H new ATOM 119 N ARG A 9 -0.738 5.834 -10.631 1.00 0.00 N ATOM 120 CA ARG A 9 0.062 4.704 -10.164 1.00 0.00 C ATOM 121 C ARG A 9 1.371 5.162 -9.529 1.00 0.00 C ATOM 122 O ARG A 9 1.985 6.136 -9.965 1.00 0.00 O ATOM 123 CB ARG A 9 0.334 3.727 -11.316 1.00 0.00 C ATOM 124 CG ARG A 9 1.534 4.096 -12.180 1.00 0.00 C ATOM 125 CD ARG A 9 2.766 3.292 -11.795 1.00 0.00 C ATOM 126 NE ARG A 9 3.508 2.834 -12.967 1.00 0.00 N ATOM 127 CZ ARG A 9 3.056 1.918 -13.820 1.00 0.00 C ATOM 128 NH1 ARG A 9 1.865 1.361 -13.637 1.00 0.00 N ATOM 129 NH2 ARG A 9 3.796 1.557 -14.860 1.00 0.00 N ATOM 0 H ARG A 9 -0.423 6.242 -11.511 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.513 4.189 -9.394 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.491 2.731 -10.903 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.552 3.674 -11.949 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.296 3.920 -13.229 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.745 5.160 -12.076 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.417 3.903 -11.170 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.465 2.432 -11.197 1.00 0.00 H new ATOM 0 HE ARG A 9 4.427 3.240 -13.142 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.291 1.635 -12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.524 0.659 -14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.712 1.982 -15.006 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.449 0.855 -15.514 1.00 0.00 H new ATOM 143 N LEU A 10 1.797 4.430 -8.501 1.00 0.00 N ATOM 144 CA LEU A 10 3.044 4.731 -7.803 1.00 0.00 C ATOM 145 C LEU A 10 3.962 3.515 -7.828 1.00 0.00 C ATOM 146 O LEU A 10 3.525 2.401 -8.115 1.00 0.00 O ATOM 147 CB LEU A 10 2.803 5.170 -6.343 1.00 0.00 C ATOM 148 CG LEU A 10 1.345 5.184 -5.865 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.278 5.228 -4.341 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.608 6.374 -6.455 1.00 0.00 C ATOM 0 H LEU A 10 1.295 3.622 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 10 3.515 5.563 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.370 4.507 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.214 6.172 -6.216 1.00 0.00 H new ATOM 0 HG LEU A 10 0.864 4.267 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.236 5.237 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.775 4.350 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.775 6.129 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.425 6.371 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.095 7.297 -6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.625 6.309 -7.543 1.00 0.00 H new ATOM 162 N ARG A 11 5.234 3.735 -7.527 1.00 0.00 N ATOM 163 CA ARG A 11 6.212 2.657 -7.515 1.00 0.00 C ATOM 164 C ARG A 11 6.719 2.406 -6.096 1.00 0.00 C ATOM 165 O ARG A 11 6.864 3.338 -5.305 1.00 0.00 O ATOM 166 CB ARG A 11 7.381 2.999 -8.442 1.00 0.00 C ATOM 167 CG ARG A 11 7.714 1.897 -9.436 1.00 0.00 C ATOM 168 CD ARG A 11 8.084 0.601 -8.732 1.00 0.00 C ATOM 169 NE ARG A 11 9.217 -0.063 -9.370 1.00 0.00 N ATOM 170 CZ ARG A 11 10.457 0.421 -9.369 1.00 0.00 C ATOM 171 NH1 ARG A 11 10.727 1.573 -8.766 1.00 0.00 N ATOM 172 NH2 ARG A 11 11.431 -0.247 -9.972 1.00 0.00 N ATOM 0 H ARG A 11 5.613 4.651 -7.288 1.00 0.00 H new ATOM 0 HA ARG A 11 5.730 1.747 -7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.144 3.911 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.263 3.210 -7.838 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.859 1.725 -10.090 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.541 2.216 -10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.326 0.811 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.224 -0.069 -8.731 1.00 0.00 H new ATOM 0 HE ARG A 11 9.048 -0.950 -9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.982 2.092 -8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.679 1.939 -8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.230 -1.132 -10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.381 0.125 -9.971 1.00 0.00 H new ATOM 186 N ILE A 12 6.990 1.143 -5.780 1.00 0.00 N ATOM 187 CA ILE A 12 7.484 0.774 -4.460 1.00 0.00 C ATOM 188 C ILE A 12 8.464 -0.391 -4.582 1.00 0.00 C ATOM 189 O ILE A 12 8.065 -1.540 -4.772 1.00 0.00 O ATOM 190 CB ILE A 12 6.311 0.431 -3.498 1.00 0.00 C ATOM 191 CG1 ILE A 12 5.989 1.644 -2.624 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.618 -0.779 -2.624 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.627 1.570 -1.966 1.00 0.00 C ATOM 0 H ILE A 12 6.875 0.358 -6.421 1.00 0.00 H new ATOM 0 HA ILE A 12 8.011 1.626 -4.031 1.00 0.00 H new ATOM 0 HB ILE A 12 5.446 0.176 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.752 1.738 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.040 2.546 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.770 -0.980 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.802 -1.648 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.502 -0.577 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.466 2.463 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.855 1.507 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.578 0.687 -1.329 1.00 0.00 H new ATOM 205 N ARG A 13 9.754 -0.076 -4.497 1.00 0.00 N ATOM 206 CA ARG A 13 10.796 -1.095 -4.625 1.00 0.00 C ATOM 207 C ARG A 13 11.332 -1.535 -3.265 1.00 0.00 C ATOM 208 O ARG A 13 11.260 -0.801 -2.280 1.00 0.00 O ATOM 209 CB ARG A 13 11.949 -0.591 -5.500 1.00 0.00 C ATOM 210 CG ARG A 13 12.569 0.712 -5.015 1.00 0.00 C ATOM 211 CD ARG A 13 13.215 1.479 -6.158 1.00 0.00 C ATOM 212 NE ARG A 13 14.367 0.769 -6.711 1.00 0.00 N ATOM 213 CZ ARG A 13 15.289 1.341 -7.481 1.00 0.00 C ATOM 214 NH1 ARG A 13 15.200 2.629 -7.791 1.00 0.00 N ATOM 215 NH2 ARG A 13 16.304 0.624 -7.944 1.00 0.00 N ATOM 0 H ARG A 13 10.103 0.870 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 13 10.337 -1.960 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.723 -1.357 -5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.585 -0.452 -6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.802 1.330 -4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.316 0.499 -4.250 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.479 1.645 -6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.530 2.461 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 13 14.470 -0.222 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.422 3.186 -7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.910 3.062 -8.382 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.378 -0.366 -7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 13 17.011 1.063 -8.534 1.00 0.00 H new ATOM 229 N PHE A 14 11.883 -2.745 -3.239 1.00 0.00 N ATOM 230 CA PHE A 14 12.457 -3.325 -2.033 1.00 0.00 C ATOM 231 C PHE A 14 13.791 -3.980 -2.369 1.00 0.00 C ATOM 232 O PHE A 14 13.931 -4.621 -3.412 1.00 0.00 O ATOM 233 CB PHE A 14 11.506 -4.360 -1.421 1.00 0.00 C ATOM 234 CG PHE A 14 10.665 -3.825 -0.296 1.00 0.00 C ATOM 235 CD1 PHE A 14 9.832 -2.734 -0.495 1.00 0.00 C ATOM 236 CD2 PHE A 14 10.703 -4.413 0.962 1.00 0.00 C ATOM 237 CE1 PHE A 14 9.054 -2.241 0.534 1.00 0.00 C ATOM 238 CE2 PHE A 14 9.928 -3.921 1.995 1.00 0.00 C ATOM 239 CZ PHE A 14 9.103 -2.834 1.780 1.00 0.00 C ATOM 0 H PHE A 14 11.943 -3.351 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 14 12.613 -2.531 -1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.849 -4.742 -2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.090 -5.204 -1.055 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.791 -2.264 -1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.345 -5.264 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.408 -1.392 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.967 -4.386 2.969 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.497 -2.448 2.586 1.00 0.00 H new ATOM 249 N GLU A 15 14.773 -3.803 -1.495 1.00 0.00 N ATOM 250 CA GLU A 15 16.108 -4.364 -1.707 1.00 0.00 C ATOM 251 C GLU A 15 16.060 -5.808 -2.209 1.00 0.00 C ATOM 252 O GLU A 15 16.969 -6.260 -2.903 1.00 0.00 O ATOM 253 CB GLU A 15 16.932 -4.312 -0.413 1.00 0.00 C ATOM 254 CG GLU A 15 17.894 -3.137 -0.332 1.00 0.00 C ATOM 255 CD GLU A 15 17.338 -1.866 -0.949 1.00 0.00 C ATOM 256 OE1 GLU A 15 16.183 -1.512 -0.636 1.00 0.00 O ATOM 257 OE2 GLU A 15 18.060 -1.227 -1.743 1.00 0.00 O ATOM 0 H GLU A 15 14.673 -3.274 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 15 16.581 -3.751 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.251 -4.268 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.499 -5.238 -0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.140 -2.949 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.824 -3.401 -0.836 1.00 0.00 H new ATOM 264 N SER A 16 15.012 -6.533 -1.838 1.00 0.00 N ATOM 265 CA SER A 16 14.880 -7.930 -2.243 1.00 0.00 C ATOM 266 C SER A 16 13.548 -8.203 -2.935 1.00 0.00 C ATOM 267 O SER A 16 13.097 -9.348 -2.985 1.00 0.00 O ATOM 268 CB SER A 16 15.021 -8.842 -1.023 1.00 0.00 C ATOM 269 OG SER A 16 13.837 -8.841 -0.245 1.00 0.00 O ATOM 0 H SER A 16 14.246 -6.182 -1.262 1.00 0.00 H new ATOM 0 HA SER A 16 15.675 -8.139 -2.959 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.245 -9.858 -1.349 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.861 -8.511 -0.413 1.00 0.00 H new ATOM 0 HG SER A 16 13.994 -8.351 0.589 1.00 0.00 H new ATOM 275 N ALA A 17 12.916 -7.162 -3.474 1.00 0.00 N ATOM 276 CA ALA A 17 11.633 -7.345 -4.161 1.00 0.00 C ATOM 277 C ALA A 17 11.116 -6.049 -4.780 1.00 0.00 C ATOM 278 O ALA A 17 11.432 -4.956 -4.313 1.00 0.00 O ATOM 279 CB ALA A 17 10.593 -7.922 -3.203 1.00 0.00 C ATOM 0 H ALA A 17 13.259 -6.202 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 17 11.804 -8.049 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.647 -8.052 -3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.937 -8.887 -2.831 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.452 -7.240 -2.365 1.00 0.00 H new ATOM 285 N GLU A 18 10.314 -6.183 -5.839 1.00 0.00 N ATOM 286 CA GLU A 18 9.746 -5.019 -6.529 1.00 0.00 C ATOM 287 C GLU A 18 8.301 -5.276 -6.956 1.00 0.00 C ATOM 288 O GLU A 18 7.936 -6.402 -7.295 1.00 0.00 O ATOM 289 CB GLU A 18 10.595 -4.661 -7.750 1.00 0.00 C ATOM 290 CG GLU A 18 10.857 -5.837 -8.675 1.00 0.00 C ATOM 291 CD GLU A 18 11.769 -5.477 -9.831 1.00 0.00 C ATOM 292 OE1 GLU A 18 11.379 -4.620 -10.650 1.00 0.00 O ATOM 293 OE2 GLU A 18 12.875 -6.052 -9.916 1.00 0.00 O ATOM 0 H GLU A 18 10.043 -7.082 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 18 9.750 -4.182 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.094 -3.872 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.549 -4.256 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.304 -6.651 -8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.909 -6.205 -9.066 1.00 0.00 H new ATOM 300 N CYS A 19 7.478 -4.221 -6.941 1.00 0.00 N ATOM 301 CA CYS A 19 6.068 -4.347 -7.333 1.00 0.00 C ATOM 302 C CYS A 19 5.446 -2.975 -7.609 1.00 0.00 C ATOM 303 O CYS A 19 5.832 -1.978 -6.998 1.00 0.00 O ATOM 304 CB CYS A 19 5.252 -5.078 -6.247 1.00 0.00 C ATOM 305 SG CYS A 19 6.135 -5.379 -4.694 1.00 0.00 S ATOM 0 H CYS A 19 7.759 -3.280 -6.665 1.00 0.00 H new ATOM 0 HA CYS A 19 6.039 -4.936 -8.250 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.358 -4.493 -6.031 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.918 -6.035 -6.648 1.00 0.00 H new ATOM 0 HG CYS A 19 5.350 -5.995 -3.861 1.00 0.00 H new ATOM 311 N GLU A 20 4.477 -2.930 -8.529 1.00 0.00 N ATOM 312 CA GLU A 20 3.807 -1.679 -8.872 1.00 0.00 C ATOM 313 C GLU A 20 2.344 -1.719 -8.440 1.00 0.00 C ATOM 314 O GLU A 20 1.760 -2.794 -8.299 1.00 0.00 O ATOM 315 CB GLU A 20 3.904 -1.409 -10.378 1.00 0.00 C ATOM 316 CG GLU A 20 5.198 -1.900 -11.003 1.00 0.00 C ATOM 317 CD GLU A 20 5.469 -1.268 -12.356 1.00 0.00 C ATOM 318 OE1 GLU A 20 4.941 -0.166 -12.611 1.00 0.00 O ATOM 319 OE2 GLU A 20 6.209 -1.877 -13.157 1.00 0.00 O ATOM 0 H GLU A 20 4.143 -3.744 -9.046 1.00 0.00 H new ATOM 0 HA GLU A 20 4.307 -0.869 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.063 -1.889 -10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.810 -0.337 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.028 -1.681 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.155 -2.983 -11.114 1.00 0.00 H new ATOM 326 N VAL A 21 1.759 -0.547 -8.223 1.00 0.00 N ATOM 327 CA VAL A 21 0.365 -0.455 -7.798 1.00 0.00 C ATOM 328 C VAL A 21 -0.278 0.844 -8.286 1.00 0.00 C ATOM 329 O VAL A 21 0.359 1.898 -8.299 1.00 0.00 O ATOM 330 CB VAL A 21 0.235 -0.576 -6.251 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.600 -0.781 -5.612 1.00 0.00 C ATOM 332 CG2 VAL A 21 -0.463 0.634 -5.640 1.00 0.00 C ATOM 0 H VAL A 21 2.227 0.353 -8.334 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.167 -1.292 -8.251 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.385 -1.449 -6.046 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.487 -0.863 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.050 -1.695 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.243 0.068 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.532 0.507 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.108 1.535 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.465 0.726 -6.059 1.00 0.00 H new ATOM 342 N GLU A 22 -1.544 0.756 -8.679 1.00 0.00 N ATOM 343 CA GLU A 22 -2.285 1.918 -9.158 1.00 0.00 C ATOM 344 C GLU A 22 -3.189 2.453 -8.054 1.00 0.00 C ATOM 345 O GLU A 22 -3.195 1.918 -6.947 1.00 0.00 O ATOM 346 CB GLU A 22 -3.121 1.550 -10.385 1.00 0.00 C ATOM 347 CG GLU A 22 -2.300 1.398 -11.656 1.00 0.00 C ATOM 348 CD GLU A 22 -2.810 0.284 -12.550 1.00 0.00 C ATOM 349 OE1 GLU A 22 -3.326 -0.719 -12.013 1.00 0.00 O ATOM 350 OE2 GLU A 22 -2.694 0.416 -13.786 1.00 0.00 O ATOM 0 H GLU A 22 -2.081 -0.111 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.572 2.692 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.648 0.616 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.879 2.317 -10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.315 2.338 -12.208 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.261 1.200 -11.392 1.00 0.00 H new ATOM 357 N LEU A 23 -3.952 3.504 -8.348 1.00 0.00 N ATOM 358 CA LEU A 23 -4.847 4.074 -7.350 1.00 0.00 C ATOM 359 C LEU A 23 -6.067 4.719 -8.001 1.00 0.00 C ATOM 360 O LEU A 23 -5.996 5.226 -9.119 1.00 0.00 O ATOM 361 CB LEU A 23 -4.092 5.086 -6.470 1.00 0.00 C ATOM 362 CG LEU A 23 -4.932 6.207 -5.837 1.00 0.00 C ATOM 363 CD1 LEU A 23 -5.727 5.688 -4.645 1.00 0.00 C ATOM 364 CD2 LEU A 23 -4.030 7.355 -5.411 1.00 0.00 C ATOM 0 H LEU A 23 -3.968 3.970 -9.255 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.206 3.264 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.596 4.538 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.310 5.546 -7.074 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.640 6.568 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.312 6.501 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.397 4.893 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.042 5.298 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.633 8.145 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.304 6.996 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.506 7.748 -6.282 1.00 0.00 H new ATOM 376 N TYR A 24 -7.183 4.693 -7.280 1.00 0.00 N ATOM 377 CA TYR A 24 -8.428 5.275 -7.770 1.00 0.00 C ATOM 378 C TYR A 24 -8.995 6.271 -6.758 1.00 0.00 C ATOM 379 O TYR A 24 -8.815 6.116 -5.550 1.00 0.00 O ATOM 380 CB TYR A 24 -9.454 4.175 -8.081 1.00 0.00 C ATOM 381 CG TYR A 24 -8.962 3.150 -9.080 1.00 0.00 C ATOM 382 CD1 TYR A 24 -8.139 3.519 -10.137 1.00 0.00 C ATOM 383 CD2 TYR A 24 -9.323 1.815 -8.966 1.00 0.00 C ATOM 384 CE1 TYR A 24 -7.689 2.585 -11.051 1.00 0.00 C ATOM 385 CE2 TYR A 24 -8.878 0.874 -9.876 1.00 0.00 C ATOM 386 CZ TYR A 24 -8.061 1.264 -10.916 1.00 0.00 C ATOM 387 OH TYR A 24 -7.616 0.332 -11.824 1.00 0.00 O ATOM 0 H TYR A 24 -7.251 4.274 -6.352 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.213 5.813 -8.693 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.721 3.667 -7.154 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.364 4.637 -8.465 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.846 4.553 -10.246 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.963 1.506 -8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.049 2.888 -11.867 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.169 -0.161 -9.773 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.968 -0.551 -11.586 1.00 0.00 H new ATOM 397 N GLU A 25 -9.668 7.302 -7.264 1.00 0.00 N ATOM 398 CA GLU A 25 -10.251 8.347 -6.413 1.00 0.00 C ATOM 399 C GLU A 25 -11.249 7.796 -5.387 1.00 0.00 C ATOM 400 O GLU A 25 -11.702 8.534 -4.513 1.00 0.00 O ATOM 401 CB GLU A 25 -10.939 9.418 -7.263 1.00 0.00 C ATOM 402 CG GLU A 25 -10.002 10.171 -8.197 1.00 0.00 C ATOM 403 CD GLU A 25 -10.635 10.466 -9.542 1.00 0.00 C ATOM 404 OE1 GLU A 25 -10.675 9.552 -10.394 1.00 0.00 O ATOM 405 OE2 GLU A 25 -11.094 11.610 -9.745 1.00 0.00 O ATOM 0 H GLU A 25 -9.826 7.440 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.419 8.786 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.723 8.947 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.426 10.134 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.702 11.108 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.095 9.585 -8.347 1.00 0.00 H new ATOM 412 N GLU A 26 -11.606 6.517 -5.496 1.00 0.00 N ATOM 413 CA GLU A 26 -12.568 5.911 -4.574 1.00 0.00 C ATOM 414 C GLU A 26 -12.264 6.280 -3.120 1.00 0.00 C ATOM 415 O GLU A 26 -13.168 6.343 -2.287 1.00 0.00 O ATOM 416 CB GLU A 26 -12.576 4.388 -4.740 1.00 0.00 C ATOM 417 CG GLU A 26 -11.356 3.696 -4.149 1.00 0.00 C ATOM 418 CD GLU A 26 -11.262 2.237 -4.552 1.00 0.00 C ATOM 419 OE1 GLU A 26 -12.100 1.438 -4.083 1.00 0.00 O ATOM 420 OE2 GLU A 26 -10.351 1.894 -5.334 1.00 0.00 O ATOM 0 H GLU A 26 -11.246 5.883 -6.209 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.554 6.304 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.473 3.986 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.639 4.149 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.455 4.217 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.393 3.767 -3.062 1.00 0.00 H new ATOM 427 N TRP A 27 -10.995 6.547 -2.825 1.00 0.00 N ATOM 428 CA TRP A 27 -10.597 6.932 -1.477 1.00 0.00 C ATOM 429 C TRP A 27 -10.869 8.421 -1.270 1.00 0.00 C ATOM 430 O TRP A 27 -11.603 8.800 -0.355 1.00 0.00 O ATOM 431 CB TRP A 27 -9.115 6.610 -1.239 1.00 0.00 C ATOM 432 CG TRP A 27 -8.568 7.168 0.040 1.00 0.00 C ATOM 433 CD1 TRP A 27 -9.281 7.614 1.115 1.00 0.00 C ATOM 434 CD2 TRP A 27 -7.187 7.333 0.377 1.00 0.00 C ATOM 435 NE1 TRP A 27 -8.427 8.048 2.100 1.00 0.00 N ATOM 436 CE2 TRP A 27 -7.136 7.886 1.670 1.00 0.00 C ATOM 437 CE3 TRP A 27 -5.988 7.066 -0.289 1.00 0.00 C ATOM 438 CZ2 TRP A 27 -5.932 8.176 2.308 1.00 0.00 C ATOM 439 CZ3 TRP A 27 -4.795 7.355 0.344 1.00 0.00 C ATOM 440 CH2 TRP A 27 -4.775 7.904 1.632 1.00 0.00 C ATOM 0 H TRP A 27 -10.229 6.504 -3.498 1.00 0.00 H new ATOM 0 HA TRP A 27 -11.182 6.362 -0.755 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.985 5.528 -1.236 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.531 6.999 -2.073 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -10.359 7.624 1.182 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.708 8.429 3.004 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.994 6.641 -1.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.913 8.600 3.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.863 7.154 -0.163 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.826 8.117 2.101 1.00 0.00 H new ATOM 451 N ALA A 28 -10.294 9.256 -2.142 1.00 0.00 N ATOM 452 CA ALA A 28 -10.486 10.710 -2.084 1.00 0.00 C ATOM 453 C ALA A 28 -9.315 11.455 -2.727 1.00 0.00 C ATOM 454 O ALA A 28 -8.190 11.396 -2.230 1.00 0.00 O ATOM 455 CB ALA A 28 -10.675 11.192 -0.649 1.00 0.00 C ATOM 0 H ALA A 28 -9.687 8.947 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.392 10.930 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.814 12.273 -0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.552 10.711 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.794 10.937 -0.060 1.00 0.00 H new ATOM 461 N PRO A 29 -9.558 12.172 -3.844 1.00 0.00 N ATOM 462 CA PRO A 29 -8.513 12.924 -4.540 1.00 0.00 C ATOM 463 C PRO A 29 -7.654 13.751 -3.580 1.00 0.00 C ATOM 464 O PRO A 29 -6.452 13.915 -3.795 1.00 0.00 O ATOM 465 CB PRO A 29 -9.277 13.853 -5.497 1.00 0.00 C ATOM 466 CG PRO A 29 -10.736 13.579 -5.297 1.00 0.00 C ATOM 467 CD PRO A 29 -10.861 12.298 -4.512 1.00 0.00 C ATOM 0 HA PRO A 29 -7.822 12.253 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.048 14.898 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.987 13.665 -6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -11.209 14.402 -4.762 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.243 13.489 -6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.677 12.348 -3.792 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.062 11.447 -5.163 1.00 0.00 H new ATOM 475 N GLU A 30 -8.281 14.276 -2.531 1.00 0.00 N ATOM 476 CA GLU A 30 -7.579 15.093 -1.545 1.00 0.00 C ATOM 477 C GLU A 30 -6.433 14.324 -0.894 1.00 0.00 C ATOM 478 O GLU A 30 -5.293 14.791 -0.878 1.00 0.00 O ATOM 479 CB GLU A 30 -8.553 15.582 -0.471 1.00 0.00 C ATOM 480 CG GLU A 30 -9.431 16.736 -0.925 1.00 0.00 C ATOM 481 CD GLU A 30 -10.815 16.285 -1.348 1.00 0.00 C ATOM 482 OE1 GLU A 30 -10.909 15.403 -2.227 1.00 0.00 O ATOM 483 OE2 GLU A 30 -11.804 16.815 -0.801 1.00 0.00 O ATOM 0 H GLU A 30 -9.275 14.150 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.157 15.951 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.189 14.752 -0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.987 15.891 0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.521 17.460 -0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.949 17.248 -1.758 1.00 0.00 H new ATOM 490 N THR A 31 -6.737 13.148 -0.354 1.00 0.00 N ATOM 491 CA THR A 31 -5.711 12.326 0.300 1.00 0.00 C ATOM 492 C THR A 31 -4.650 11.894 -0.707 1.00 0.00 C ATOM 493 O THR A 31 -3.453 11.974 -0.434 1.00 0.00 O ATOM 494 CB THR A 31 -6.341 11.095 0.970 1.00 0.00 C ATOM 495 OG1 THR A 31 -7.711 10.980 0.627 1.00 0.00 O ATOM 496 CG2 THR A 31 -6.249 11.112 2.485 1.00 0.00 C ATOM 0 H THR A 31 -7.673 12.742 -0.353 1.00 0.00 H new ATOM 0 HA THR A 31 -5.235 12.931 1.072 1.00 0.00 H new ATOM 0 HB THR A 31 -5.765 10.247 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.031 10.082 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.714 10.212 2.888 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.202 11.145 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.765 11.991 2.871 1.00 0.00 H new ATOM 504 N VAL A 32 -5.097 11.446 -1.878 1.00 0.00 N ATOM 505 CA VAL A 32 -4.188 11.011 -2.934 1.00 0.00 C ATOM 506 C VAL A 32 -3.064 12.026 -3.154 1.00 0.00 C ATOM 507 O VAL A 32 -1.965 11.669 -3.577 1.00 0.00 O ATOM 508 CB VAL A 32 -4.944 10.804 -4.263 1.00 0.00 C ATOM 509 CG1 VAL A 32 -4.004 10.319 -5.356 1.00 0.00 C ATOM 510 CG2 VAL A 32 -6.097 9.830 -4.071 1.00 0.00 C ATOM 0 H VAL A 32 -6.086 11.375 -2.119 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.755 10.064 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.352 11.765 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.563 10.181 -6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.217 11.057 -5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.557 9.371 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.620 9.695 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.709 8.870 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.788 10.227 -3.328 1.00 0.00 H new ATOM 520 N ARG A 33 -3.354 13.292 -2.867 1.00 0.00 N ATOM 521 CA ARG A 33 -2.373 14.362 -3.038 1.00 0.00 C ATOM 522 C ARG A 33 -1.144 14.140 -2.157 1.00 0.00 C ATOM 523 O ARG A 33 -0.017 14.405 -2.576 1.00 0.00 O ATOM 524 CB ARG A 33 -3.007 15.720 -2.720 1.00 0.00 C ATOM 525 CG ARG A 33 -2.276 16.903 -3.337 1.00 0.00 C ATOM 526 CD ARG A 33 -2.794 18.225 -2.791 1.00 0.00 C ATOM 527 NE ARG A 33 -2.055 19.366 -3.324 1.00 0.00 N ATOM 528 CZ ARG A 33 -0.873 19.767 -2.862 1.00 0.00 C ATOM 529 NH1 ARG A 33 -0.289 19.120 -1.861 1.00 0.00 N ATOM 530 NH2 ARG A 33 -0.272 20.818 -3.403 1.00 0.00 N ATOM 0 H ARG A 33 -4.259 13.603 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.049 14.351 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.039 15.719 -3.072 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.040 15.850 -1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.208 16.818 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.398 16.883 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.850 18.330 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.720 18.222 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.470 19.887 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.746 18.310 -1.441 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.617 19.432 -1.511 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.716 21.319 -4.173 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.634 21.126 -3.049 1.00 0.00 H new ATOM 544 N ALA A 34 -1.363 13.653 -0.937 1.00 0.00 N ATOM 545 CA ALA A 34 -0.264 13.402 -0.009 1.00 0.00 C ATOM 546 C ALA A 34 0.653 12.303 -0.529 1.00 0.00 C ATOM 547 O ALA A 34 1.875 12.452 -0.528 1.00 0.00 O ATOM 548 CB ALA A 34 -0.800 13.042 1.366 1.00 0.00 C ATOM 0 H ALA A 34 -2.287 13.426 -0.570 1.00 0.00 H new ATOM 0 HA ALA A 34 0.322 14.317 0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.033 12.858 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.404 13.865 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.414 12.144 1.294 1.00 0.00 H new ATOM 554 N ILE A 35 0.060 11.205 -0.981 1.00 0.00 N ATOM 555 CA ILE A 35 0.842 10.089 -1.514 1.00 0.00 C ATOM 556 C ILE A 35 1.756 10.589 -2.635 1.00 0.00 C ATOM 557 O ILE A 35 2.962 10.344 -2.620 1.00 0.00 O ATOM 558 CB ILE A 35 -0.037 8.941 -2.073 1.00 0.00 C ATOM 559 CG1 ILE A 35 -1.482 9.042 -1.580 1.00 0.00 C ATOM 560 CG2 ILE A 35 0.558 7.594 -1.691 1.00 0.00 C ATOM 561 CD1 ILE A 35 -1.615 8.973 -0.073 1.00 0.00 C ATOM 0 H ILE A 35 -0.950 11.061 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 35 1.419 9.690 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.053 9.033 -3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.912 9.980 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.066 8.236 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.067 6.794 -2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.563 7.509 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.605 7.512 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.666 9.051 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.215 8.024 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.059 9.794 0.379 1.00 0.00 H new ATOM 573 N ALA A 36 1.171 11.307 -3.605 1.00 0.00 N ATOM 574 CA ALA A 36 1.938 11.854 -4.718 1.00 0.00 C ATOM 575 C ALA A 36 2.962 12.860 -4.212 1.00 0.00 C ATOM 576 O ALA A 36 4.007 13.058 -4.823 1.00 0.00 O ATOM 577 CB ALA A 36 1.013 12.500 -5.737 1.00 0.00 C ATOM 0 H ALA A 36 0.174 11.518 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 36 2.469 11.037 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.603 12.903 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.317 11.754 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.455 13.307 -5.262 1.00 0.00 H new ATOM 583 N ASP A 37 2.663 13.496 -3.087 1.00 0.00 N ATOM 584 CA ASP A 37 3.586 14.468 -2.509 1.00 0.00 C ATOM 585 C ASP A 37 4.807 13.762 -1.910 1.00 0.00 C ATOM 586 O ASP A 37 5.881 14.352 -1.787 1.00 0.00 O ATOM 587 CB ASP A 37 2.885 15.303 -1.436 1.00 0.00 C ATOM 588 CG ASP A 37 3.558 16.642 -1.215 1.00 0.00 C ATOM 589 OD1 ASP A 37 3.630 17.437 -2.176 1.00 0.00 O ATOM 590 OD2 ASP A 37 4.013 16.898 -0.081 1.00 0.00 O ATOM 0 H ASP A 37 1.800 13.360 -2.561 1.00 0.00 H new ATOM 0 HA ASP A 37 3.922 15.132 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.847 15.465 -1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.871 14.747 -0.498 1.00 0.00 H new ATOM 595 N ALA A 38 4.626 12.497 -1.530 1.00 0.00 N ATOM 596 CA ALA A 38 5.684 11.697 -0.934 1.00 0.00 C ATOM 597 C ALA A 38 6.395 10.820 -1.970 1.00 0.00 C ATOM 598 O ALA A 38 6.585 9.622 -1.756 1.00 0.00 O ATOM 599 CB ALA A 38 5.093 10.838 0.172 1.00 0.00 C ATOM 0 H ALA A 38 3.739 12.002 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 38 6.434 12.372 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.880 10.235 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.646 11.480 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.328 10.183 -0.245 1.00 0.00 H new ATOM 605 N LEU A 39 6.804 11.426 -3.083 1.00 0.00 N ATOM 606 CA LEU A 39 7.517 10.702 -4.144 1.00 0.00 C ATOM 607 C LEU A 39 8.848 10.147 -3.588 1.00 0.00 C ATOM 608 O LEU A 39 8.957 9.999 -2.373 1.00 0.00 O ATOM 609 CB LEU A 39 7.695 11.607 -5.371 1.00 0.00 C ATOM 610 CG LEU A 39 6.392 12.167 -5.966 1.00 0.00 C ATOM 611 CD1 LEU A 39 6.611 12.584 -7.412 1.00 0.00 C ATOM 612 CD2 LEU A 39 5.260 11.141 -5.880 1.00 0.00 C ATOM 0 H LEU A 39 6.656 12.416 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 39 6.934 9.844 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.339 12.443 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.217 11.044 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 39 6.103 13.041 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.681 12.979 -7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.382 13.353 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.927 11.720 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.352 11.565 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.538 10.245 -6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.082 10.882 -4.836 1.00 0.00 H new ATOM 624 N PRO A 40 9.879 9.789 -4.418 1.00 0.00 N ATOM 625 CA PRO A 40 11.134 9.229 -3.906 1.00 0.00 C ATOM 626 C PRO A 40 11.498 9.702 -2.501 1.00 0.00 C ATOM 627 O PRO A 40 11.905 10.845 -2.296 1.00 0.00 O ATOM 628 CB PRO A 40 12.149 9.716 -4.927 1.00 0.00 C ATOM 629 CG PRO A 40 11.404 9.702 -6.223 1.00 0.00 C ATOM 630 CD PRO A 40 9.932 9.869 -5.896 1.00 0.00 C ATOM 0 HA PRO A 40 11.080 8.146 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.508 10.716 -4.685 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.022 9.064 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.747 10.507 -6.873 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.576 8.767 -6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.549 10.823 -6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.330 9.088 -6.359 1.00 0.00 H new ATOM 638 N ILE A 41 11.349 8.794 -1.543 1.00 0.00 N ATOM 639 CA ILE A 41 11.657 9.071 -0.146 1.00 0.00 C ATOM 640 C ILE A 41 12.107 7.785 0.545 1.00 0.00 C ATOM 641 O ILE A 41 11.693 6.693 0.159 1.00 0.00 O ATOM 642 CB ILE A 41 10.439 9.676 0.596 1.00 0.00 C ATOM 643 CG1 ILE A 41 10.211 11.126 0.147 1.00 0.00 C ATOM 644 CG2 ILE A 41 10.637 9.624 2.106 1.00 0.00 C ATOM 645 CD1 ILE A 41 9.066 11.815 0.864 1.00 0.00 C ATOM 0 H ILE A 41 11.012 7.847 -1.713 1.00 0.00 H new ATOM 0 HA ILE A 41 12.462 9.805 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 41 9.561 9.081 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.126 11.696 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.016 11.138 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.767 10.055 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.758 8.588 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.527 10.192 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.966 12.835 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.140 11.270 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.267 11.836 1.935 1.00 0.00 H new ATOM 657 N LYS A 42 12.965 7.912 1.551 1.00 0.00 N ATOM 658 CA LYS A 42 13.473 6.744 2.265 1.00 0.00 C ATOM 659 C LYS A 42 12.534 6.316 3.389 1.00 0.00 C ATOM 660 O LYS A 42 12.027 7.146 4.146 1.00 0.00 O ATOM 661 CB LYS A 42 14.866 7.027 2.826 1.00 0.00 C ATOM 662 CG LYS A 42 15.975 6.280 2.099 1.00 0.00 C ATOM 663 CD LYS A 42 17.196 7.161 1.884 1.00 0.00 C ATOM 664 CE LYS A 42 18.269 6.891 2.926 1.00 0.00 C ATOM 665 NZ LYS A 42 19.561 7.537 2.573 1.00 0.00 N ATOM 0 H LYS A 42 13.322 8.805 1.890 1.00 0.00 H new ATOM 0 HA LYS A 42 13.533 5.924 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 42 15.062 8.098 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.886 6.755 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.258 5.399 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.606 5.927 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.602 6.985 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 42 16.901 8.210 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.933 7.257 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.416 5.816 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.266 7.329 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.895 7.169 1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.427 8.566 2.503 1.00 0.00 H new ATOM 679 N SER A 43 12.318 5.008 3.494 1.00 0.00 N ATOM 680 CA SER A 43 11.453 4.439 4.522 1.00 0.00 C ATOM 681 C SER A 43 11.976 3.076 4.966 1.00 0.00 C ATOM 682 O SER A 43 12.586 2.352 4.180 1.00 0.00 O ATOM 683 CB SER A 43 10.015 4.314 4.011 1.00 0.00 C ATOM 684 OG SER A 43 9.797 3.074 3.367 1.00 0.00 O ATOM 0 H SER A 43 12.736 4.316 2.872 1.00 0.00 H new ATOM 0 HA SER A 43 11.457 5.111 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.321 4.418 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.803 5.127 3.317 1.00 0.00 H new ATOM 0 HG SER A 43 8.872 2.787 3.515 1.00 0.00 H new ATOM 690 N THR A 44 11.740 2.729 6.229 1.00 0.00 N ATOM 691 CA THR A 44 12.199 1.444 6.761 1.00 0.00 C ATOM 692 C THR A 44 11.041 0.452 6.825 1.00 0.00 C ATOM 693 O THR A 44 9.990 0.741 7.395 1.00 0.00 O ATOM 694 CB THR A 44 12.813 1.627 8.152 1.00 0.00 C ATOM 695 OG1 THR A 44 13.146 2.985 8.380 1.00 0.00 O ATOM 696 CG2 THR A 44 14.067 0.805 8.367 1.00 0.00 C ATOM 0 H THR A 44 11.239 3.312 6.899 1.00 0.00 H new ATOM 0 HA THR A 44 12.964 1.049 6.092 1.00 0.00 H new ATOM 0 HB THR A 44 12.049 1.285 8.850 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.535 3.081 9.274 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.450 0.982 9.372 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.833 -0.253 8.249 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.821 1.094 7.635 1.00 0.00 H new ATOM 704 N ALA A 45 11.238 -0.707 6.206 1.00 0.00 N ATOM 705 CA ALA A 45 10.209 -1.739 6.156 1.00 0.00 C ATOM 706 C ALA A 45 10.194 -2.618 7.402 1.00 0.00 C ATOM 707 O ALA A 45 11.236 -3.070 7.879 1.00 0.00 O ATOM 708 CB ALA A 45 10.398 -2.603 4.916 1.00 0.00 C ATOM 0 H ALA A 45 12.105 -0.956 5.730 1.00 0.00 H new ATOM 0 HA ALA A 45 9.247 -1.228 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.625 -3.371 4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.325 -1.981 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.379 -3.077 4.949 1.00 0.00 H new ATOM 714 N ASN A 46 8.989 -2.878 7.900 1.00 0.00 N ATOM 715 CA ASN A 46 8.796 -3.730 9.067 1.00 0.00 C ATOM 716 C ASN A 46 8.180 -5.059 8.620 1.00 0.00 C ATOM 717 O ASN A 46 7.160 -5.065 7.928 1.00 0.00 O ATOM 718 CB ASN A 46 7.885 -3.040 10.084 1.00 0.00 C ATOM 719 CG ASN A 46 8.572 -1.877 10.775 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.730 -1.571 10.495 1.00 0.00 O ATOM 721 ND2 ASN A 46 7.858 -1.225 11.684 1.00 0.00 N ATOM 0 H ASN A 46 8.124 -2.506 7.508 1.00 0.00 H new ATOM 0 HA ASN A 46 9.759 -3.917 9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.987 -2.682 9.580 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.563 -3.765 10.831 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.267 -0.435 12.183 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.900 -1.514 11.884 1.00 0.00 H new ATOM 728 N ARG A 47 8.805 -6.183 8.971 1.00 0.00 N ATOM 729 CA ARG A 47 8.300 -7.483 8.545 1.00 0.00 C ATOM 730 C ARG A 47 7.222 -8.036 9.479 1.00 0.00 C ATOM 731 O ARG A 47 7.358 -7.996 10.702 1.00 0.00 O ATOM 732 CB ARG A 47 9.461 -8.466 8.423 1.00 0.00 C ATOM 733 CG ARG A 47 10.062 -8.488 7.028 1.00 0.00 C ATOM 734 CD ARG A 47 10.305 -9.901 6.538 1.00 0.00 C ATOM 735 NE ARG A 47 10.768 -10.789 7.603 1.00 0.00 N ATOM 736 CZ ARG A 47 10.799 -12.116 7.500 1.00 0.00 C ATOM 737 NH1 ARG A 47 10.396 -12.712 6.385 1.00 0.00 N ATOM 738 NH2 ARG A 47 11.236 -12.849 8.514 1.00 0.00 N ATOM 0 H ARG A 47 9.650 -6.218 9.541 1.00 0.00 H new ATOM 0 HA ARG A 47 7.825 -7.348 7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.234 -8.201 9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.114 -9.467 8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.394 -7.974 6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.003 -7.938 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.384 -10.298 6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.044 -9.883 5.737 1.00 0.00 H new ATOM 0 HE ARG A 47 11.086 -10.367 8.476 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.060 -12.153 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.422 -13.729 6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.548 -12.396 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.260 -13.866 8.435 1.00 0.00 H new ATOM 752 N TRP A 48 6.149 -8.561 8.878 1.00 0.00 N ATOM 753 CA TRP A 48 5.033 -9.138 9.623 1.00 0.00 C ATOM 754 C TRP A 48 4.367 -10.235 8.795 1.00 0.00 C ATOM 755 O TRP A 48 4.370 -10.170 7.567 1.00 0.00 O ATOM 756 CB TRP A 48 4.009 -8.061 9.995 1.00 0.00 C ATOM 757 CG TRP A 48 2.869 -8.584 10.815 1.00 0.00 C ATOM 758 CD1 TRP A 48 1.802 -9.307 10.368 1.00 0.00 C ATOM 759 CD2 TRP A 48 2.682 -8.421 12.227 1.00 0.00 C ATOM 760 NE1 TRP A 48 0.963 -9.606 11.414 1.00 0.00 N ATOM 761 CE2 TRP A 48 1.482 -9.073 12.565 1.00 0.00 C ATOM 762 CE3 TRP A 48 3.414 -7.789 13.237 1.00 0.00 C ATOM 763 CZ2 TRP A 48 0.996 -9.111 13.871 1.00 0.00 C ATOM 764 CZ3 TRP A 48 2.930 -7.826 14.531 1.00 0.00 C ATOM 765 CH2 TRP A 48 1.732 -8.484 14.838 1.00 0.00 C ATOM 0 H TRP A 48 6.033 -8.596 7.865 1.00 0.00 H new ATOM 0 HA TRP A 48 5.421 -9.571 10.545 1.00 0.00 H new ATOM 0 HB2 TRP A 48 4.511 -7.268 10.548 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.616 -7.613 9.082 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.640 -9.601 9.342 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.095 -10.138 11.345 1.00 0.00 H new ATOM 0 HE3 TRP A 48 4.340 -7.282 13.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.072 -9.617 14.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.485 -7.339 15.319 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.382 -8.496 15.860 1.00 0.00 H new ATOM 776 N GLY A 49 3.815 -11.247 9.469 1.00 0.00 N ATOM 777 CA GLY A 49 3.163 -12.355 8.781 1.00 0.00 C ATOM 778 C GLY A 49 2.480 -11.953 7.486 1.00 0.00 C ATOM 779 O GLY A 49 1.393 -11.376 7.500 1.00 0.00 O ATOM 0 H GLY A 49 3.808 -11.319 10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.905 -13.125 8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.425 -12.801 9.448 1.00 0.00 H new ATOM 783 N ASP A 50 3.124 -12.264 6.362 1.00 0.00 N ATOM 784 CA ASP A 50 2.584 -11.945 5.040 1.00 0.00 C ATOM 785 C ASP A 50 2.021 -10.524 4.994 1.00 0.00 C ATOM 786 O ASP A 50 1.075 -10.244 4.256 1.00 0.00 O ATOM 787 CB ASP A 50 1.498 -12.949 4.644 1.00 0.00 C ATOM 788 CG ASP A 50 1.740 -14.334 5.216 1.00 0.00 C ATOM 789 OD1 ASP A 50 2.917 -14.684 5.446 1.00 0.00 O ATOM 790 OD2 ASP A 50 0.754 -15.069 5.431 1.00 0.00 O ATOM 0 H ASP A 50 4.026 -12.740 6.340 1.00 0.00 H new ATOM 0 HA ASP A 50 3.406 -12.009 4.327 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.530 -12.584 4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.448 -13.013 3.557 1.00 0.00 H new ATOM 795 N GLU A 51 2.610 -9.636 5.784 1.00 0.00 N ATOM 796 CA GLU A 51 2.177 -8.244 5.836 1.00 0.00 C ATOM 797 C GLU A 51 3.377 -7.322 6.025 1.00 0.00 C ATOM 798 O GLU A 51 4.322 -7.660 6.736 1.00 0.00 O ATOM 799 CB GLU A 51 1.174 -8.040 6.972 1.00 0.00 C ATOM 800 CG GLU A 51 0.070 -7.051 6.639 1.00 0.00 C ATOM 801 CD GLU A 51 0.438 -5.624 6.996 1.00 0.00 C ATOM 802 OE1 GLU A 51 1.643 -5.346 7.164 1.00 0.00 O ATOM 803 OE2 GLU A 51 -0.479 -4.784 7.104 1.00 0.00 O ATOM 0 H GLU A 51 3.392 -9.855 6.401 1.00 0.00 H new ATOM 0 HA GLU A 51 1.691 -7.998 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.725 -9.000 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.706 -7.693 7.857 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.155 -7.109 5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.838 -7.332 7.172 1.00 0.00 H new ATOM 810 N ILE A 52 3.341 -6.160 5.379 1.00 0.00 N ATOM 811 CA ILE A 52 4.436 -5.205 5.480 1.00 0.00 C ATOM 812 C ILE A 52 3.915 -3.771 5.577 1.00 0.00 C ATOM 813 O ILE A 52 3.164 -3.317 4.717 1.00 0.00 O ATOM 814 CB ILE A 52 5.408 -5.345 4.273 1.00 0.00 C ATOM 815 CG1 ILE A 52 6.834 -5.609 4.765 1.00 0.00 C ATOM 816 CG2 ILE A 52 5.383 -4.111 3.374 1.00 0.00 C ATOM 817 CD1 ILE A 52 7.081 -7.037 5.210 1.00 0.00 C ATOM 0 H ILE A 52 2.569 -5.860 4.784 1.00 0.00 H new ATOM 0 HA ILE A 52 4.984 -5.430 6.395 1.00 0.00 H new ATOM 0 HB ILE A 52 5.069 -6.194 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.534 -5.362 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.050 -4.938 5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.076 -4.251 2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.375 -3.965 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.680 -3.235 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.114 -7.141 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.408 -7.284 6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.899 -7.715 4.376 1.00 0.00 H new ATOM 829 N TYR A 53 4.328 -3.062 6.622 1.00 0.00 N ATOM 830 CA TYR A 53 3.909 -1.676 6.818 1.00 0.00 C ATOM 831 C TYR A 53 5.102 -0.797 7.180 1.00 0.00 C ATOM 832 O TYR A 53 5.858 -1.104 8.102 1.00 0.00 O ATOM 833 CB TYR A 53 2.828 -1.576 7.901 1.00 0.00 C ATOM 834 CG TYR A 53 3.251 -2.110 9.253 1.00 0.00 C ATOM 835 CD1 TYR A 53 4.024 -1.343 10.119 1.00 0.00 C ATOM 836 CD2 TYR A 53 2.873 -3.381 9.666 1.00 0.00 C ATOM 837 CE1 TYR A 53 4.407 -1.830 11.354 1.00 0.00 C ATOM 838 CE2 TYR A 53 3.253 -3.874 10.900 1.00 0.00 C ATOM 839 CZ TYR A 53 4.020 -3.094 11.740 1.00 0.00 C ATOM 840 OH TYR A 53 4.400 -3.583 12.968 1.00 0.00 O ATOM 0 H TYR A 53 4.951 -3.422 7.345 1.00 0.00 H new ATOM 0 HA TYR A 53 3.487 -1.320 5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.536 -0.532 8.011 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.945 -2.121 7.568 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.330 -0.351 9.821 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.272 -3.995 9.012 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.008 -1.222 12.014 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.951 -4.865 11.205 1.00 0.00 H new ATOM 0 HH TYR A 53 4.043 -4.488 13.084 1.00 0.00 H new ATOM 850 N PHE A 54 5.264 0.296 6.442 1.00 0.00 N ATOM 851 CA PHE A 54 6.364 1.224 6.672 1.00 0.00 C ATOM 852 C PHE A 54 5.870 2.669 6.680 1.00 0.00 C ATOM 853 O PHE A 54 4.946 3.020 5.947 1.00 0.00 O ATOM 854 CB PHE A 54 7.446 1.045 5.595 1.00 0.00 C ATOM 855 CG PHE A 54 7.017 1.456 4.207 1.00 0.00 C ATOM 856 CD1 PHE A 54 6.753 2.787 3.907 1.00 0.00 C ATOM 857 CD2 PHE A 54 6.875 0.512 3.202 1.00 0.00 C ATOM 858 CE1 PHE A 54 6.358 3.161 2.638 1.00 0.00 C ATOM 859 CE2 PHE A 54 6.481 0.883 1.930 1.00 0.00 C ATOM 860 CZ PHE A 54 6.220 2.210 1.649 1.00 0.00 C ATOM 0 H PHE A 54 4.644 0.561 5.676 1.00 0.00 H new ATOM 0 HA PHE A 54 6.793 1.003 7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.323 1.627 5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.751 -0.001 5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.858 3.538 4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.075 -0.528 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.157 4.199 2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.377 0.136 1.157 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.909 2.502 0.657 1.00 0.00 H new ATOM 870 N THR A 55 6.502 3.507 7.497 1.00 0.00 N ATOM 871 CA THR A 55 6.131 4.918 7.577 1.00 0.00 C ATOM 872 C THR A 55 7.009 5.741 6.635 1.00 0.00 C ATOM 873 O THR A 55 8.181 5.425 6.440 1.00 0.00 O ATOM 874 CB THR A 55 6.277 5.429 9.012 1.00 0.00 C ATOM 875 OG1 THR A 55 6.311 4.349 9.929 1.00 0.00 O ATOM 876 CG2 THR A 55 5.154 6.351 9.435 1.00 0.00 C ATOM 0 H THR A 55 7.270 3.236 8.111 1.00 0.00 H new ATOM 0 HA THR A 55 5.089 5.023 7.276 1.00 0.00 H new ATOM 0 HB THR A 55 7.212 5.989 9.025 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.406 4.697 10.840 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.318 6.677 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.130 7.220 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.204 5.821 9.370 1.00 0.00 H new ATOM 884 N THR A 56 6.439 6.787 6.039 1.00 0.00 N ATOM 885 CA THR A 56 7.189 7.629 5.109 1.00 0.00 C ATOM 886 C THR A 56 7.278 9.076 5.589 1.00 0.00 C ATOM 887 O THR A 56 7.770 9.943 4.867 1.00 0.00 O ATOM 888 CB THR A 56 6.553 7.579 3.719 1.00 0.00 C ATOM 889 OG1 THR A 56 5.354 6.826 3.738 1.00 0.00 O ATOM 890 CG2 THR A 56 7.460 6.971 2.672 1.00 0.00 C ATOM 0 H THR A 56 5.469 7.070 6.182 1.00 0.00 H new ATOM 0 HA THR A 56 8.204 7.234 5.060 1.00 0.00 H new ATOM 0 HB THR A 56 6.359 8.618 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.964 6.809 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.950 6.965 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.374 7.561 2.595 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.710 5.949 2.957 1.00 0.00 H new ATOM 898 N GLN A 57 6.805 9.331 6.805 1.00 0.00 N ATOM 899 CA GLN A 57 6.833 10.677 7.387 1.00 0.00 C ATOM 900 C GLN A 57 5.649 11.525 6.919 1.00 0.00 C ATOM 901 O GLN A 57 5.430 12.621 7.435 1.00 0.00 O ATOM 902 CB GLN A 57 8.156 11.399 7.072 1.00 0.00 C ATOM 903 CG GLN A 57 9.379 10.499 7.150 1.00 0.00 C ATOM 904 CD GLN A 57 10.344 10.916 8.244 1.00 0.00 C ATOM 905 OE1 GLN A 57 11.264 11.699 8.011 1.00 0.00 O ATOM 906 NE2 GLN A 57 10.134 10.394 9.447 1.00 0.00 N ATOM 0 H GLN A 57 6.395 8.622 7.413 1.00 0.00 H new ATOM 0 HA GLN A 57 6.754 10.551 8.467 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.096 11.829 6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.281 12.228 7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.059 9.472 7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.896 10.512 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.358 9.748 9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.748 10.639 10.223 1.00 0.00 H new ATOM 915 N VAL A 58 4.876 11.022 5.956 1.00 0.00 N ATOM 916 CA VAL A 58 3.716 11.759 5.465 1.00 0.00 C ATOM 917 C VAL A 58 2.513 11.498 6.364 1.00 0.00 C ATOM 918 O VAL A 58 2.043 10.366 6.473 1.00 0.00 O ATOM 919 CB VAL A 58 3.370 11.394 4.003 1.00 0.00 C ATOM 920 CG1 VAL A 58 3.020 9.919 3.864 1.00 0.00 C ATOM 921 CG2 VAL A 58 2.230 12.266 3.492 1.00 0.00 C ATOM 0 H VAL A 58 5.030 10.119 5.507 1.00 0.00 H new ATOM 0 HA VAL A 58 3.969 12.819 5.488 1.00 0.00 H new ATOM 0 HB VAL A 58 4.255 11.582 3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.782 9.698 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.869 9.312 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.158 9.689 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.999 11.996 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.348 12.113 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.526 13.314 3.535 1.00 0.00 H new ATOM 931 N ALA A 59 2.032 12.547 7.026 1.00 0.00 N ATOM 932 CA ALA A 59 0.895 12.407 7.931 1.00 0.00 C ATOM 933 C ALA A 59 -0.404 12.887 7.296 1.00 0.00 C ATOM 934 O ALA A 59 -0.735 14.070 7.347 1.00 0.00 O ATOM 935 CB ALA A 59 1.145 13.148 9.242 1.00 0.00 C ATOM 0 H ALA A 59 2.407 13.493 6.954 1.00 0.00 H new ATOM 0 HA ALA A 59 0.788 11.343 8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.283 13.028 9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.031 12.739 9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.300 14.207 9.037 1.00 0.00 H new ATOM 941 N VAL A 60 -1.142 11.950 6.715 1.00 0.00 N ATOM 942 CA VAL A 60 -2.421 12.255 6.086 1.00 0.00 C ATOM 943 C VAL A 60 -3.527 11.404 6.707 1.00 0.00 C ATOM 944 O VAL A 60 -3.599 10.200 6.465 1.00 0.00 O ATOM 945 CB VAL A 60 -2.367 12.007 4.560 1.00 0.00 C ATOM 946 CG1 VAL A 60 -1.895 10.587 4.257 1.00 0.00 C ATOM 947 CG2 VAL A 60 -3.720 12.274 3.912 1.00 0.00 C ATOM 0 H VAL A 60 -0.875 10.967 6.666 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.635 13.310 6.255 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.646 12.705 4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.865 10.436 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.898 10.439 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.584 9.871 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.652 12.092 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.468 11.611 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.009 13.311 4.086 1.00 0.00 H new ATOM 957 N GLU A 61 -4.378 12.028 7.522 1.00 0.00 N ATOM 958 CA GLU A 61 -5.460 11.300 8.178 1.00 0.00 C ATOM 959 C GLU A 61 -6.793 12.030 8.043 1.00 0.00 C ATOM 960 O GLU A 61 -6.871 13.246 8.216 1.00 0.00 O ATOM 961 CB GLU A 61 -5.125 11.090 9.658 1.00 0.00 C ATOM 962 CG GLU A 61 -4.936 9.630 10.035 1.00 0.00 C ATOM 963 CD GLU A 61 -4.886 9.417 11.535 1.00 0.00 C ATOM 964 OE1 GLU A 61 -4.312 10.276 12.238 1.00 0.00 O ATOM 965 OE2 GLU A 61 -5.420 8.392 12.006 1.00 0.00 O ATOM 0 H GLU A 61 -4.339 13.024 7.741 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.559 10.333 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.215 11.640 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.924 11.514 10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.752 9.042 9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.013 9.260 9.588 1.00 0.00 H new ATOM 972 N LYS A 62 -7.840 11.268 7.739 1.00 0.00 N ATOM 973 CA LYS A 62 -9.180 11.825 7.587 1.00 0.00 C ATOM 974 C LYS A 62 -10.225 10.718 7.727 1.00 0.00 C ATOM 975 O LYS A 62 -9.900 9.536 7.603 1.00 0.00 O ATOM 976 CB LYS A 62 -9.315 12.516 6.225 1.00 0.00 C ATOM 977 CG LYS A 62 -10.704 13.071 5.941 1.00 0.00 C ATOM 978 CD LYS A 62 -10.649 14.224 4.951 1.00 0.00 C ATOM 979 CE LYS A 62 -10.764 13.735 3.517 1.00 0.00 C ATOM 980 NZ LYS A 62 -12.176 13.731 3.041 1.00 0.00 N ATOM 0 H LYS A 62 -7.785 10.260 7.593 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.346 12.565 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.593 13.330 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.053 11.805 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.340 12.279 5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.159 13.410 6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.456 14.925 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.713 14.768 5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.164 14.372 2.867 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.353 12.728 3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.402 12.802 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.813 13.921 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.300 14.467 2.317 1.00 0.00 H new ATOM 994 N GLU A 63 -11.477 11.090 7.987 1.00 0.00 N ATOM 995 CA GLU A 63 -12.541 10.104 8.142 1.00 0.00 C ATOM 996 C GLU A 63 -13.309 9.921 6.839 1.00 0.00 C ATOM 997 O GLU A 63 -14.225 10.684 6.529 1.00 0.00 O ATOM 998 CB GLU A 63 -13.490 10.516 9.267 1.00 0.00 C ATOM 999 CG GLU A 63 -14.811 9.760 9.277 1.00 0.00 C ATOM 1000 CD GLU A 63 -15.220 9.319 10.669 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -15.555 10.194 11.495 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -15.205 8.098 10.934 1.00 0.00 O ATOM 0 H GLU A 63 -11.777 12.059 8.094 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.083 9.150 8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.990 10.363 10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.696 11.583 9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.592 10.394 8.857 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.730 8.885 8.632 1.00 0.00 H new ATOM 1009 N GLU A 64 -12.925 8.902 6.082 1.00 0.00 N ATOM 1010 CA GLU A 64 -13.573 8.607 4.809 1.00 0.00 C ATOM 1011 C GLU A 64 -13.105 7.256 4.258 1.00 0.00 C ATOM 1012 O GLU A 64 -11.970 6.845 4.496 1.00 0.00 O ATOM 1013 CB GLU A 64 -13.273 9.723 3.801 1.00 0.00 C ATOM 1014 CG GLU A 64 -13.618 9.367 2.362 1.00 0.00 C ATOM 1015 CD GLU A 64 -14.250 10.523 1.610 1.00 0.00 C ATOM 1016 OE1 GLU A 64 -13.790 11.671 1.792 1.00 0.00 O ATOM 1017 OE2 GLU A 64 -15.201 10.280 0.839 1.00 0.00 O ATOM 0 H GLU A 64 -12.167 8.265 6.327 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.649 8.552 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.829 10.616 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.214 9.975 3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.713 9.052 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.301 8.518 2.356 1.00 0.00 H new ATOM 1024 N ASN A 65 -13.976 6.574 3.510 1.00 0.00 N ATOM 1025 CA ASN A 65 -13.632 5.285 2.922 1.00 0.00 C ATOM 1026 C ASN A 65 -13.352 4.243 4.005 1.00 0.00 C ATOM 1027 O ASN A 65 -14.223 3.445 4.350 1.00 0.00 O ATOM 1028 CB ASN A 65 -12.412 5.432 2.002 1.00 0.00 C ATOM 1029 CG ASN A 65 -12.060 4.142 1.293 1.00 0.00 C ATOM 1030 OD1 ASN A 65 -12.740 3.127 1.449 1.00 0.00 O ATOM 1031 ND2 ASN A 65 -10.992 4.174 0.507 1.00 0.00 N ATOM 0 H ASN A 65 -14.921 6.895 3.300 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.484 4.943 2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.611 6.207 1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.556 5.765 2.590 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.705 3.335 0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.458 5.037 0.407 1.00 0.00 H new ATOM 1038 N SER A 66 -12.131 4.272 4.536 1.00 0.00 N ATOM 1039 CA SER A 66 -11.697 3.350 5.593 1.00 0.00 C ATOM 1040 C SER A 66 -12.404 1.988 5.518 1.00 0.00 C ATOM 1041 O SER A 66 -13.382 1.758 6.230 1.00 0.00 O ATOM 1042 CB SER A 66 -11.953 3.979 6.963 1.00 0.00 C ATOM 1043 OG SER A 66 -10.873 4.810 7.352 1.00 0.00 O ATOM 0 H SER A 66 -11.411 4.935 4.248 1.00 0.00 H new ATOM 0 HA SER A 66 -10.631 3.174 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.873 4.563 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.098 3.194 7.706 1.00 0.00 H new ATOM 0 HG SER A 66 -11.061 5.202 8.230 1.00 0.00 H new ATOM 1049 N LYS A 67 -11.898 1.077 4.681 1.00 0.00 N ATOM 1050 CA LYS A 67 -12.501 -0.261 4.573 1.00 0.00 C ATOM 1051 C LYS A 67 -11.700 -1.267 5.397 1.00 0.00 C ATOM 1052 O LYS A 67 -10.527 -1.040 5.692 1.00 0.00 O ATOM 1053 CB LYS A 67 -12.618 -0.741 3.111 1.00 0.00 C ATOM 1054 CG LYS A 67 -11.337 -0.643 2.296 1.00 0.00 C ATOM 1055 CD LYS A 67 -10.399 -1.807 2.577 1.00 0.00 C ATOM 1056 CE LYS A 67 -9.025 -1.574 1.977 1.00 0.00 C ATOM 1057 NZ LYS A 67 -8.069 -2.662 2.330 1.00 0.00 N ATOM 0 H LYS A 67 -11.090 1.233 4.079 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.514 -0.190 4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.952 -1.779 3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.392 -0.157 2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.582 -0.622 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.831 0.295 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.307 -1.949 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.824 -2.724 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.110 -1.504 0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.633 -0.619 2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.298 -2.272 2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.567 -3.401 2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.674 -3.073 1.460 1.00 0.00 H new ATOM 1071 N ASP A 68 -12.340 -2.368 5.787 1.00 0.00 N ATOM 1072 CA ASP A 68 -11.669 -3.387 6.599 1.00 0.00 C ATOM 1073 C ASP A 68 -11.647 -4.761 5.925 1.00 0.00 C ATOM 1074 O ASP A 68 -11.050 -5.698 6.453 1.00 0.00 O ATOM 1075 CB ASP A 68 -12.350 -3.497 7.965 1.00 0.00 C ATOM 1076 CG ASP A 68 -13.855 -3.650 7.851 1.00 0.00 C ATOM 1077 OD1 ASP A 68 -14.316 -4.267 6.869 1.00 0.00 O ATOM 1078 OD2 ASP A 68 -14.571 -3.151 8.744 1.00 0.00 O ATOM 0 H ASP A 68 -13.312 -2.578 5.558 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.634 -3.067 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.941 -4.351 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.122 -2.609 8.554 1.00 0.00 H new ATOM 1083 N VAL A 69 -12.290 -4.890 4.766 1.00 0.00 N ATOM 1084 CA VAL A 69 -12.314 -6.171 4.062 1.00 0.00 C ATOM 1085 C VAL A 69 -11.862 -6.018 2.610 1.00 0.00 C ATOM 1086 O VAL A 69 -12.197 -5.037 1.948 1.00 0.00 O ATOM 1087 CB VAL A 69 -13.714 -6.823 4.103 1.00 0.00 C ATOM 1088 CG1 VAL A 69 -14.666 -6.163 3.113 1.00 0.00 C ATOM 1089 CG2 VAL A 69 -13.612 -8.317 3.837 1.00 0.00 C ATOM 0 H VAL A 69 -12.794 -4.136 4.300 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.614 -6.824 4.583 1.00 0.00 H new ATOM 0 HB VAL A 69 -14.123 -6.674 5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -15.641 -6.646 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -14.770 -5.106 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -14.268 -6.264 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.607 -8.761 3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.173 -8.482 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.983 -8.780 4.597 1.00 0.00 H new ATOM 1099 N VAL A 70 -11.104 -7.000 2.124 1.00 0.00 N ATOM 1100 CA VAL A 70 -10.609 -6.973 0.745 1.00 0.00 C ATOM 1101 C VAL A 70 -10.232 -8.371 0.255 1.00 0.00 C ATOM 1102 O VAL A 70 -9.967 -9.268 1.053 1.00 0.00 O ATOM 1103 CB VAL A 70 -9.392 -6.033 0.593 1.00 0.00 C ATOM 1104 CG1 VAL A 70 -9.783 -4.602 0.923 1.00 0.00 C ATOM 1105 CG2 VAL A 70 -8.217 -6.477 1.461 1.00 0.00 C ATOM 0 H VAL A 70 -10.820 -7.820 2.659 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.426 -6.592 0.132 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.068 -6.083 -0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.915 -3.953 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.571 -4.274 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.144 -4.551 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.383 -5.789 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.518 -6.478 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.910 -7.482 1.171 1.00 0.00 H new ATOM 1115 N GLU A 71 -10.220 -8.551 -1.069 1.00 0.00 N ATOM 1116 CA GLU A 71 -9.885 -9.849 -1.663 1.00 0.00 C ATOM 1117 C GLU A 71 -8.414 -9.932 -2.058 1.00 0.00 C ATOM 1118 O GLU A 71 -7.781 -8.931 -2.381 1.00 0.00 O ATOM 1119 CB GLU A 71 -10.766 -10.144 -2.885 1.00 0.00 C ATOM 1120 CG GLU A 71 -12.193 -9.657 -2.732 1.00 0.00 C ATOM 1121 CD GLU A 71 -12.920 -9.552 -4.059 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -12.672 -10.400 -4.941 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -13.738 -8.620 -4.214 1.00 0.00 O ATOM 0 H GLU A 71 -10.437 -7.820 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.076 -10.601 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.323 -9.676 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.775 -11.219 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.737 -10.338 -2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.190 -8.681 -2.246 1.00 0.00 H new ATOM 1130 N LEU A 72 -7.887 -11.148 -2.021 1.00 0.00 N ATOM 1131 CA LEU A 72 -6.488 -11.414 -2.368 1.00 0.00 C ATOM 1132 C LEU A 72 -6.065 -10.682 -3.645 1.00 0.00 C ATOM 1133 O LEU A 72 -6.700 -10.833 -4.690 1.00 0.00 O ATOM 1134 CB LEU A 72 -6.285 -12.926 -2.559 1.00 0.00 C ATOM 1135 CG LEU A 72 -4.877 -13.374 -2.976 1.00 0.00 C ATOM 1136 CD1 LEU A 72 -4.100 -13.878 -1.769 1.00 0.00 C ATOM 1137 CD2 LEU A 72 -4.961 -14.460 -4.039 1.00 0.00 C ATOM 0 H LEU A 72 -8.412 -11.980 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.868 -11.047 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.541 -13.427 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.992 -13.274 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.351 -12.516 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.104 -14.192 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.014 -13.079 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.624 -14.725 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.955 -14.768 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.504 -15.318 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.485 -14.073 -4.913 1.00 0.00 H new ATOM 1149 N GLY A 73 -4.975 -9.914 -3.569 1.00 0.00 N ATOM 1150 CA GLY A 73 -4.487 -9.211 -4.751 1.00 0.00 C ATOM 1151 C GLY A 73 -4.610 -7.695 -4.683 1.00 0.00 C ATOM 1152 O GLY A 73 -3.845 -6.988 -5.341 1.00 0.00 O ATOM 0 H GLY A 73 -4.427 -9.767 -2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.440 -9.471 -4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.036 -9.568 -5.622 1.00 0.00 H new ATOM 1156 N ASP A 74 -5.569 -7.184 -3.919 1.00 0.00 N ATOM 1157 CA ASP A 74 -5.761 -5.739 -3.824 1.00 0.00 C ATOM 1158 C ASP A 74 -4.806 -5.103 -2.818 1.00 0.00 C ATOM 1159 O ASP A 74 -4.311 -5.762 -1.905 1.00 0.00 O ATOM 1160 CB ASP A 74 -7.211 -5.403 -3.461 1.00 0.00 C ATOM 1161 CG ASP A 74 -7.762 -6.291 -2.369 1.00 0.00 C ATOM 1162 OD1 ASP A 74 -7.045 -6.523 -1.372 1.00 0.00 O ATOM 1163 OD2 ASP A 74 -8.914 -6.756 -2.508 1.00 0.00 O ATOM 0 H ASP A 74 -6.219 -7.739 -3.362 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.538 -5.322 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.269 -4.363 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.835 -5.498 -4.350 1.00 0.00 H new ATOM 1168 N VAL A 75 -4.554 -3.811 -3.007 1.00 0.00 N ATOM 1169 CA VAL A 75 -3.652 -3.054 -2.129 1.00 0.00 C ATOM 1170 C VAL A 75 -4.437 -1.992 -1.342 1.00 0.00 C ATOM 1171 O VAL A 75 -5.461 -1.507 -1.821 1.00 0.00 O ATOM 1172 CB VAL A 75 -2.536 -2.358 -2.950 1.00 0.00 C ATOM 1173 CG1 VAL A 75 -1.452 -1.777 -2.050 1.00 0.00 C ATOM 1174 CG2 VAL A 75 -1.930 -3.325 -3.958 1.00 0.00 C ATOM 0 H VAL A 75 -4.961 -3.260 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.195 -3.759 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.995 -1.530 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.688 -1.298 -2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.893 -1.040 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.998 -2.576 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.149 -2.818 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.501 -4.178 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.706 -3.672 -4.641 1.00 0.00 H new ATOM 1184 N ALA A 76 -3.968 -1.624 -0.140 1.00 0.00 N ATOM 1185 CA ALA A 76 -4.665 -0.617 0.658 1.00 0.00 C ATOM 1186 C ALA A 76 -3.711 0.137 1.578 1.00 0.00 C ATOM 1187 O ALA A 76 -2.671 -0.386 1.977 1.00 0.00 O ATOM 1188 CB ALA A 76 -5.790 -1.253 1.468 1.00 0.00 C ATOM 0 H ALA A 76 -3.125 -2.003 0.290 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.096 0.104 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.295 -0.485 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.505 -1.722 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.375 -2.007 2.137 1.00 0.00 H new ATOM 1194 N TYR A 77 -4.081 1.370 1.913 1.00 0.00 N ATOM 1195 CA TYR A 77 -3.271 2.206 2.790 1.00 0.00 C ATOM 1196 C TYR A 77 -3.886 2.261 4.186 1.00 0.00 C ATOM 1197 O TYR A 77 -5.085 2.493 4.337 1.00 0.00 O ATOM 1198 CB TYR A 77 -3.141 3.619 2.195 1.00 0.00 C ATOM 1199 CG TYR A 77 -3.142 4.739 3.214 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -2.016 5.000 3.981 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -4.262 5.538 3.399 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -2.006 6.022 4.907 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -4.260 6.564 4.324 1.00 0.00 C ATOM 1204 CZ TYR A 77 -3.129 6.803 5.075 1.00 0.00 C ATOM 1205 OH TYR A 77 -3.121 7.823 5.998 1.00 0.00 O ATOM 0 H TYR A 77 -4.941 1.813 1.588 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.275 1.772 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.217 3.672 1.619 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.962 3.781 1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.132 4.393 3.851 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.149 5.355 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.122 6.210 5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.140 7.176 4.458 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.695 8.553 5.684 1.00 0.00 H new ATOM 1215 N TRP A 78 -3.058 2.044 5.202 1.00 0.00 N ATOM 1216 CA TRP A 78 -3.532 2.069 6.583 1.00 0.00 C ATOM 1217 C TRP A 78 -3.796 3.500 7.045 1.00 0.00 C ATOM 1218 O TRP A 78 -2.860 4.273 7.252 1.00 0.00 O ATOM 1219 CB TRP A 78 -2.513 1.405 7.513 1.00 0.00 C ATOM 1220 CG TRP A 78 -3.101 0.968 8.820 1.00 0.00 C ATOM 1221 CD1 TRP A 78 -4.324 1.308 9.316 1.00 0.00 C ATOM 1222 CD2 TRP A 78 -2.493 0.116 9.798 1.00 0.00 C ATOM 1223 NE1 TRP A 78 -4.519 0.721 10.542 1.00 0.00 N ATOM 1224 CE2 TRP A 78 -3.409 -0.018 10.861 1.00 0.00 C ATOM 1225 CE3 TRP A 78 -1.267 -0.550 9.877 1.00 0.00 C ATOM 1226 CZ2 TRP A 78 -3.134 -0.787 11.987 1.00 0.00 C ATOM 1227 CZ3 TRP A 78 -0.995 -1.313 10.997 1.00 0.00 C ATOM 1228 CH2 TRP A 78 -1.925 -1.426 12.039 1.00 0.00 C ATOM 0 H TRP A 78 -2.062 1.850 5.098 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.468 1.512 6.624 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.081 0.540 7.009 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -1.697 2.102 7.704 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.037 1.947 8.817 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.353 0.819 11.121 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -0.545 -0.470 9.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -3.849 -0.877 12.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.050 -1.831 11.070 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -1.683 -2.030 12.901 1.00 0.00 H new ATOM 1239 N ILE A 79 -5.071 3.853 7.214 1.00 0.00 N ATOM 1240 CA ILE A 79 -5.426 5.195 7.657 1.00 0.00 C ATOM 1241 C ILE A 79 -4.919 5.436 9.083 1.00 0.00 C ATOM 1242 O ILE A 79 -3.986 6.217 9.273 1.00 0.00 O ATOM 1243 CB ILE A 79 -6.951 5.451 7.537 1.00 0.00 C ATOM 1244 CG1 ILE A 79 -7.291 5.854 6.094 1.00 0.00 C ATOM 1245 CG2 ILE A 79 -7.423 6.514 8.528 1.00 0.00 C ATOM 1246 CD1 ILE A 79 -8.288 6.990 5.972 1.00 0.00 C ATOM 0 H ILE A 79 -5.865 3.233 7.052 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.936 5.913 6.999 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.478 4.529 7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.371 6.140 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.687 4.983 5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.496 6.666 8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.209 6.184 9.545 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.901 7.451 8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.467 7.205 4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.226 6.704 6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.889 7.878 6.461 1.00 0.00 H new ATOM 1258 N PRO A 80 -5.492 4.767 10.109 1.00 0.00 N ATOM 1259 CA PRO A 80 -5.035 4.932 11.493 1.00 0.00 C ATOM 1260 C PRO A 80 -3.558 4.563 11.644 1.00 0.00 C ATOM 1261 O PRO A 80 -3.222 3.461 12.074 1.00 0.00 O ATOM 1262 CB PRO A 80 -5.906 3.959 12.295 1.00 0.00 C ATOM 1263 CG PRO A 80 -7.085 3.683 11.429 1.00 0.00 C ATOM 1264 CD PRO A 80 -6.602 3.799 10.012 1.00 0.00 C ATOM 0 HA PRO A 80 -5.124 5.965 11.829 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.363 3.042 12.524 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.210 4.396 13.246 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.486 2.688 11.623 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.887 4.394 11.626 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.265 2.839 9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.389 4.155 9.347 1.00 0.00 H new ATOM 1272 N GLY A 81 -2.685 5.493 11.274 1.00 0.00 N ATOM 1273 CA GLY A 81 -1.254 5.254 11.358 1.00 0.00 C ATOM 1274 C GLY A 81 -0.505 5.806 10.154 1.00 0.00 C ATOM 1275 O GLY A 81 0.726 5.843 10.150 1.00 0.00 O ATOM 0 H GLY A 81 -2.943 6.412 10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.864 5.712 12.267 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.071 4.182 11.437 1.00 0.00 H new ATOM 1279 N LYS A 82 -1.245 6.241 9.128 1.00 0.00 N ATOM 1280 CA LYS A 82 -0.633 6.804 7.914 1.00 0.00 C ATOM 1281 C LYS A 82 0.461 5.884 7.371 1.00 0.00 C ATOM 1282 O LYS A 82 1.510 6.348 6.922 1.00 0.00 O ATOM 1283 CB LYS A 82 -0.038 8.194 8.191 1.00 0.00 C ATOM 1284 CG LYS A 82 -0.661 8.937 9.369 1.00 0.00 C ATOM 1285 CD LYS A 82 0.255 8.911 10.580 1.00 0.00 C ATOM 1286 CE LYS A 82 -0.484 9.312 11.847 1.00 0.00 C ATOM 1287 NZ LYS A 82 -0.952 10.724 11.795 1.00 0.00 N ATOM 0 H LYS A 82 -2.265 6.215 9.111 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.422 6.896 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.031 8.086 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.148 8.805 7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.864 9.970 9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.618 8.483 9.624 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.671 7.911 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.094 9.588 10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.339 8.652 11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.172 9.179 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.436 10.962 12.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.136 11.356 11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.612 10.842 11.000 1.00 0.00 H new ATOM 1301 N ALA A 83 0.212 4.582 7.421 1.00 0.00 N ATOM 1302 CA ALA A 83 1.179 3.596 6.942 1.00 0.00 C ATOM 1303 C ALA A 83 0.607 2.740 5.808 1.00 0.00 C ATOM 1304 O ALA A 83 -0.530 2.278 5.882 1.00 0.00 O ATOM 1305 CB ALA A 83 1.623 2.713 8.103 1.00 0.00 C ATOM 0 H ALA A 83 -0.651 4.181 7.788 1.00 0.00 H new ATOM 0 HA ALA A 83 2.039 4.132 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.344 1.978 7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.085 3.330 8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.757 2.199 8.521 1.00 0.00 H new ATOM 1311 N ILE A 84 1.410 2.514 4.764 1.00 0.00 N ATOM 1312 CA ILE A 84 0.976 1.694 3.629 1.00 0.00 C ATOM 1313 C ILE A 84 1.281 0.222 3.901 1.00 0.00 C ATOM 1314 O ILE A 84 2.261 -0.094 4.573 1.00 0.00 O ATOM 1315 CB ILE A 84 1.658 2.099 2.299 1.00 0.00 C ATOM 1316 CG1 ILE A 84 2.218 3.528 2.365 1.00 0.00 C ATOM 1317 CG2 ILE A 84 0.676 1.963 1.143 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.698 4.057 1.026 1.00 0.00 C ATOM 0 H ILE A 84 2.357 2.884 4.681 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.096 1.857 3.522 1.00 0.00 H new ATOM 0 HB ILE A 84 2.498 1.424 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.447 4.193 2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.046 3.552 3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.167 2.250 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.340 0.929 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.182 2.612 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.080 5.070 1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.492 3.415 0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.868 4.066 0.320 1.00 0.00 H new ATOM 1330 N CYS A 85 0.437 -0.679 3.398 1.00 0.00 N ATOM 1331 CA CYS A 85 0.648 -2.112 3.628 1.00 0.00 C ATOM 1332 C CYS A 85 0.271 -2.969 2.409 1.00 0.00 C ATOM 1333 O CYS A 85 -0.778 -2.763 1.798 1.00 0.00 O ATOM 1334 CB CYS A 85 -0.156 -2.568 4.862 1.00 0.00 C ATOM 1335 SG CYS A 85 -0.410 -1.280 6.110 1.00 0.00 S ATOM 0 H CYS A 85 -0.385 -0.451 2.839 1.00 0.00 H new ATOM 0 HA CYS A 85 1.714 -2.257 3.803 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.128 -2.933 4.532 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.360 -3.409 5.326 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.532 -1.492 6.731 1.00 0.00 H new ATOM 1341 N LEU A 86 1.129 -3.947 2.077 1.00 0.00 N ATOM 1342 CA LEU A 86 0.879 -4.855 0.951 1.00 0.00 C ATOM 1343 C LEU A 86 0.020 -6.029 1.413 1.00 0.00 C ATOM 1344 O LEU A 86 -0.067 -6.303 2.610 1.00 0.00 O ATOM 1345 CB LEU A 86 2.206 -5.395 0.389 1.00 0.00 C ATOM 1346 CG LEU A 86 2.509 -5.043 -1.072 1.00 0.00 C ATOM 1347 CD1 LEU A 86 3.930 -4.518 -1.207 1.00 0.00 C ATOM 1348 CD2 LEU A 86 2.316 -6.261 -1.964 1.00 0.00 C ATOM 0 H LEU A 86 2.001 -4.127 2.574 1.00 0.00 H new ATOM 0 HA LEU A 86 0.359 -4.300 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.020 -5.019 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.205 -6.481 0.488 1.00 0.00 H new ATOM 0 HG LEU A 86 1.815 -4.264 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.130 -4.273 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.047 -3.624 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.633 -5.281 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.535 -5.993 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.989 -7.056 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.285 -6.607 -1.890 1.00 0.00 H new ATOM 1360 N PHE A 87 -0.617 -6.719 0.471 1.00 0.00 N ATOM 1361 CA PHE A 87 -1.462 -7.856 0.819 1.00 0.00 C ATOM 1362 C PHE A 87 -1.241 -9.037 -0.115 1.00 0.00 C ATOM 1363 O PHE A 87 -1.548 -8.973 -1.306 1.00 0.00 O ATOM 1364 CB PHE A 87 -2.932 -7.446 0.805 1.00 0.00 C ATOM 1365 CG PHE A 87 -3.213 -6.280 1.700 1.00 0.00 C ATOM 1366 CD1 PHE A 87 -3.080 -6.400 3.073 1.00 0.00 C ATOM 1367 CD2 PHE A 87 -3.593 -5.062 1.170 1.00 0.00 C ATOM 1368 CE1 PHE A 87 -3.319 -5.322 3.903 1.00 0.00 C ATOM 1369 CE2 PHE A 87 -3.835 -3.983 1.996 1.00 0.00 C ATOM 1370 CZ PHE A 87 -3.697 -4.112 3.363 1.00 0.00 C ATOM 0 H PHE A 87 -0.565 -6.514 -0.527 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.184 -8.173 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.226 -7.196 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.544 -8.293 1.115 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.786 -7.347 3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.702 -4.953 0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.210 -5.427 4.972 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.133 -3.036 1.572 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.885 -3.266 4.008 1.00 0.00 H new ATOM 1380 N PHE A 88 -0.722 -10.121 0.446 1.00 0.00 N ATOM 1381 CA PHE A 88 -0.470 -11.335 -0.309 1.00 0.00 C ATOM 1382 C PHE A 88 -0.594 -12.553 0.601 1.00 0.00 C ATOM 1383 O PHE A 88 0.094 -13.557 0.412 1.00 0.00 O ATOM 1384 CB PHE A 88 0.920 -11.288 -0.945 1.00 0.00 C ATOM 1385 CG PHE A 88 0.890 -11.247 -2.447 1.00 0.00 C ATOM 1386 CD1 PHE A 88 0.628 -10.062 -3.116 1.00 0.00 C ATOM 1387 CD2 PHE A 88 1.124 -12.393 -3.189 1.00 0.00 C ATOM 1388 CE1 PHE A 88 0.600 -10.021 -4.497 1.00 0.00 C ATOM 1389 CE2 PHE A 88 1.097 -12.359 -4.571 1.00 0.00 C ATOM 1390 CZ PHE A 88 0.835 -11.171 -5.225 1.00 0.00 C ATOM 0 H PHE A 88 -0.466 -10.181 1.432 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.212 -11.413 -1.104 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.450 -10.410 -0.576 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.487 -12.162 -0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.444 -9.160 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.330 -13.324 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.395 -9.091 -5.006 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.280 -13.260 -5.138 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.814 -11.141 -6.304 1.00 0.00 H new ATOM 1400 N GLY A 89 -1.474 -12.452 1.594 1.00 0.00 N ATOM 1401 CA GLY A 89 -1.674 -13.548 2.525 1.00 0.00 C ATOM 1402 C GLY A 89 -2.309 -13.099 3.830 1.00 0.00 C ATOM 1403 O GLY A 89 -3.040 -12.108 3.865 1.00 0.00 O ATOM 0 H GLY A 89 -2.052 -11.630 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.306 -14.304 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.714 -14.020 2.736 1.00 0.00 H new ATOM 1407 N LYS A 90 -2.039 -13.838 4.906 1.00 0.00 N ATOM 1408 CA LYS A 90 -2.594 -13.527 6.221 1.00 0.00 C ATOM 1409 C LYS A 90 -2.334 -12.080 6.629 1.00 0.00 C ATOM 1410 O LYS A 90 -1.817 -11.275 5.853 1.00 0.00 O ATOM 1411 CB LYS A 90 -2.019 -14.462 7.291 1.00 0.00 C ATOM 1412 CG LYS A 90 -0.584 -14.143 7.686 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.530 -13.307 8.956 1.00 0.00 C ATOM 1414 CE LYS A 90 0.310 -13.979 10.029 1.00 0.00 C ATOM 1415 NZ LYS A 90 0.735 -13.019 11.085 1.00 0.00 N ATOM 0 H LYS A 90 -1.436 -14.660 4.891 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.671 -13.673 6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.649 -14.412 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.065 -15.488 6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.032 -15.071 7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.092 -13.607 6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.115 -12.325 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.541 -13.147 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.261 -14.788 10.483 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.191 -14.429 9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.728 -13.197 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.637 -12.046 10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.137 -13.142 11.927 1.00 0.00 H new ATOM 1429 N THR A 91 -2.699 -11.778 7.868 1.00 0.00 N ATOM 1430 CA THR A 91 -2.523 -10.451 8.439 1.00 0.00 C ATOM 1431 C THR A 91 -2.547 -10.555 9.965 1.00 0.00 C ATOM 1432 O THR A 91 -2.618 -11.660 10.503 1.00 0.00 O ATOM 1433 CB THR A 91 -3.627 -9.513 7.940 1.00 0.00 C ATOM 1434 OG1 THR A 91 -4.553 -10.213 7.129 1.00 0.00 O ATOM 1435 CG2 THR A 91 -3.092 -8.352 7.126 1.00 0.00 C ATOM 0 H THR A 91 -3.127 -12.449 8.506 1.00 0.00 H new ATOM 0 HA THR A 91 -1.563 -10.039 8.126 1.00 0.00 H new ATOM 0 HB THR A 91 -4.107 -9.123 8.838 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.180 -10.705 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.921 -7.723 6.801 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.408 -7.763 7.738 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.562 -8.733 6.253 1.00 0.00 H new ATOM 1443 N PRO A 92 -2.485 -9.426 10.696 1.00 0.00 N ATOM 1444 CA PRO A 92 -2.499 -9.447 12.162 1.00 0.00 C ATOM 1445 C PRO A 92 -3.519 -10.433 12.733 1.00 0.00 C ATOM 1446 O PRO A 92 -3.359 -10.916 13.854 1.00 0.00 O ATOM 1447 CB PRO A 92 -2.869 -8.010 12.514 1.00 0.00 C ATOM 1448 CG PRO A 92 -2.273 -7.203 11.414 1.00 0.00 C ATOM 1449 CD PRO A 92 -2.392 -8.046 10.170 1.00 0.00 C ATOM 0 HA PRO A 92 -1.548 -9.777 12.580 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.950 -7.878 12.565 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.466 -7.721 13.485 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.799 -6.256 11.295 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.231 -6.964 11.626 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.273 -7.779 9.587 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.528 -7.923 9.517 1.00 0.00 H new ATOM 1457 N ILE A 93 -4.564 -10.732 11.961 1.00 0.00 N ATOM 1458 CA ILE A 93 -5.594 -11.664 12.409 1.00 0.00 C ATOM 1459 C ILE A 93 -6.096 -12.553 11.267 1.00 0.00 C ATOM 1460 O ILE A 93 -7.222 -12.392 10.795 1.00 0.00 O ATOM 1461 CB ILE A 93 -6.797 -10.918 13.021 1.00 0.00 C ATOM 1462 CG1 ILE A 93 -6.322 -9.875 14.033 1.00 0.00 C ATOM 1463 CG2 ILE A 93 -7.752 -11.904 13.678 1.00 0.00 C ATOM 1464 CD1 ILE A 93 -6.188 -8.485 13.450 1.00 0.00 C ATOM 0 H ILE A 93 -4.718 -10.345 11.030 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.128 -12.292 13.169 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.329 -10.402 12.221 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.023 -9.844 14.867 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.358 -10.185 14.437 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.596 -11.363 14.106 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.115 -12.611 12.932 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -7.230 -12.445 14.468 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.847 -7.797 14.224 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.465 -8.501 12.634 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.155 -8.155 13.071 1.00 0.00 H new ATOM 1476 N SER A 94 -5.264 -13.501 10.833 1.00 0.00 N ATOM 1477 CA SER A 94 -5.646 -14.417 9.761 1.00 0.00 C ATOM 1478 C SER A 94 -6.875 -15.228 10.166 1.00 0.00 C ATOM 1479 O SER A 94 -7.986 -14.971 9.703 1.00 0.00 O ATOM 1480 CB SER A 94 -4.491 -15.364 9.426 1.00 0.00 C ATOM 1481 OG SER A 94 -3.339 -15.064 10.194 1.00 0.00 O ATOM 0 H SER A 94 -4.327 -13.653 11.206 1.00 0.00 H new ATOM 0 HA SER A 94 -5.885 -13.825 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.797 -16.394 9.612 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.253 -15.289 8.365 1.00 0.00 H new ATOM 0 HG SER A 94 -2.619 -15.686 9.960 1.00 0.00 H new ATOM 1533 N ILE A 98 -8.743 -12.750 5.921 1.00 0.00 N ATOM 1534 CA ILE A 98 -7.651 -11.789 5.998 1.00 0.00 C ATOM 1535 C ILE A 98 -8.143 -10.439 6.506 1.00 0.00 C ATOM 1536 O ILE A 98 -8.857 -9.722 5.805 1.00 0.00 O ATOM 1537 CB ILE A 98 -6.976 -11.595 4.623 1.00 0.00 C ATOM 1538 CG1 ILE A 98 -6.383 -12.914 4.134 1.00 0.00 C ATOM 1539 CG2 ILE A 98 -5.891 -10.526 4.686 1.00 0.00 C ATOM 1540 CD1 ILE A 98 -5.853 -12.834 2.720 1.00 0.00 C ATOM 0 HA ILE A 98 -6.921 -12.193 6.699 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.739 -11.263 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.576 -13.213 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.146 -13.691 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.434 -10.413 3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.332 -9.578 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.130 -10.822 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.445 -13.802 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.663 -12.564 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.069 -12.079 2.668 1.00 0.00 H new ATOM 1552 N ARG A 99 -7.740 -10.091 7.722 1.00 0.00 N ATOM 1553 CA ARG A 99 -8.125 -8.818 8.312 1.00 0.00 C ATOM 1554 C ARG A 99 -6.914 -7.889 8.384 1.00 0.00 C ATOM 1555 O ARG A 99 -6.086 -8.005 9.287 1.00 0.00 O ATOM 1556 CB ARG A 99 -8.706 -9.034 9.712 1.00 0.00 C ATOM 1557 CG ARG A 99 -9.998 -8.271 9.959 1.00 0.00 C ATOM 1558 CD ARG A 99 -11.216 -9.159 9.755 1.00 0.00 C ATOM 1559 NE ARG A 99 -11.271 -10.246 10.729 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.365 -10.960 10.982 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -13.496 -10.706 10.337 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -12.328 -11.933 11.883 1.00 0.00 N ATOM 0 H ARG A 99 -7.148 -10.672 8.316 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.889 -8.358 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.888 -10.098 9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.967 -8.731 10.454 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.000 -7.876 10.975 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.052 -7.416 9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.121 -8.556 9.833 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.196 -9.575 8.748 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.421 -10.471 11.246 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.531 -9.960 9.643 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.331 -11.257 10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.461 -12.134 12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.166 -12.480 12.077 1.00 0.00 H new ATOM 1576 N PRO A 100 -6.789 -6.957 7.422 1.00 0.00 N ATOM 1577 CA PRO A 100 -5.665 -6.016 7.377 1.00 0.00 C ATOM 1578 C PRO A 100 -5.726 -4.973 8.486 1.00 0.00 C ATOM 1579 O PRO A 100 -4.695 -4.503 8.966 1.00 0.00 O ATOM 1580 CB PRO A 100 -5.815 -5.359 6.003 1.00 0.00 C ATOM 1581 CG PRO A 100 -7.268 -5.451 5.705 1.00 0.00 C ATOM 1582 CD PRO A 100 -7.722 -6.755 6.296 1.00 0.00 C ATOM 0 HA PRO A 100 -4.708 -6.516 7.524 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.478 -4.323 6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.221 -5.876 5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.811 -4.613 6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -7.450 -5.424 4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.757 -6.705 6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.662 -7.568 5.572 1.00 0.00 H new ATOM 1590 N ALA A 101 -6.939 -4.613 8.890 1.00 0.00 N ATOM 1591 CA ALA A 101 -7.127 -3.619 9.948 1.00 0.00 C ATOM 1592 C ALA A 101 -8.610 -3.366 10.196 1.00 0.00 C ATOM 1593 O ALA A 101 -9.460 -4.162 9.799 1.00 0.00 O ATOM 1594 CB ALA A 101 -6.416 -2.323 9.581 1.00 0.00 C ATOM 0 H ALA A 101 -7.805 -4.991 8.505 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.693 -4.007 10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.562 -1.590 10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.350 -2.515 9.456 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.826 -1.935 8.649 1.00 0.00 H new ATOM 1600 N SER A 102 -8.916 -2.255 10.860 1.00 0.00 N ATOM 1601 CA SER A 102 -10.298 -1.907 11.161 1.00 0.00 C ATOM 1602 C SER A 102 -10.756 -0.682 10.368 1.00 0.00 C ATOM 1603 O SER A 102 -11.926 -0.306 10.429 1.00 0.00 O ATOM 1604 CB SER A 102 -10.467 -1.647 12.662 1.00 0.00 C ATOM 1605 OG SER A 102 -9.293 -1.997 13.376 1.00 0.00 O ATOM 0 H SER A 102 -8.227 -1.583 11.198 1.00 0.00 H new ATOM 0 HA SER A 102 -10.921 -2.752 10.867 1.00 0.00 H new ATOM 0 HB2 SER A 102 -10.697 -0.595 12.828 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.312 -2.222 13.041 1.00 0.00 H new ATOM 0 HG SER A 102 -9.426 -1.820 14.331 1.00 0.00 H new ATOM 1611 N ALA A 103 -9.841 -0.054 9.628 1.00 0.00 N ATOM 1612 CA ALA A 103 -10.198 1.125 8.848 1.00 0.00 C ATOM 1613 C ALA A 103 -9.104 1.527 7.856 1.00 0.00 C ATOM 1614 O ALA A 103 -8.459 2.562 8.024 1.00 0.00 O ATOM 1615 CB ALA A 103 -10.502 2.285 9.784 1.00 0.00 C ATOM 0 H ALA A 103 -8.864 -0.338 9.554 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.083 0.873 8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.768 3.165 9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.333 2.018 10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.622 2.505 10.389 1.00 0.00 H new ATOM 1621 N VAL A 104 -8.908 0.722 6.814 1.00 0.00 N ATOM 1622 CA VAL A 104 -7.895 1.037 5.799 1.00 0.00 C ATOM 1623 C VAL A 104 -8.515 1.219 4.417 1.00 0.00 C ATOM 1624 O VAL A 104 -9.457 0.522 4.049 1.00 0.00 O ATOM 1625 CB VAL A 104 -6.768 -0.020 5.750 1.00 0.00 C ATOM 1626 CG1 VAL A 104 -6.183 -0.222 7.135 1.00 0.00 C ATOM 1627 CG2 VAL A 104 -7.267 -1.345 5.190 1.00 0.00 C ATOM 0 H VAL A 104 -9.426 -0.141 6.648 1.00 0.00 H new ATOM 0 HA VAL A 104 -7.448 1.985 6.099 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.991 0.350 5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.390 -0.968 7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.774 0.721 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.964 -0.564 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.448 -2.063 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.070 -1.727 5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.641 -1.194 4.177 1.00 0.00 H new ATOM 1637 N ASN A 105 -7.986 2.194 3.674 1.00 0.00 N ATOM 1638 CA ASN A 105 -8.484 2.524 2.336 1.00 0.00 C ATOM 1639 C ASN A 105 -7.875 1.640 1.255 1.00 0.00 C ATOM 1640 O ASN A 105 -6.736 1.195 1.372 1.00 0.00 O ATOM 1641 CB ASN A 105 -8.162 3.986 2.008 1.00 0.00 C ATOM 1642 CG ASN A 105 -8.339 4.905 3.199 1.00 0.00 C ATOM 1643 OD1 ASN A 105 -7.569 5.844 3.392 1.00 0.00 O ATOM 1644 ND2 ASN A 105 -9.355 4.633 4.006 1.00 0.00 N ATOM 0 H ASN A 105 -7.205 2.774 3.980 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.561 2.356 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.135 4.056 1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.806 4.322 1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -9.524 5.214 4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.968 3.843 3.806 1.00 0.00 H new ATOM 1651 N VAL A 106 -8.632 1.434 0.176 1.00 0.00 N ATOM 1652 CA VAL A 106 -8.155 0.649 -0.958 1.00 0.00 C ATOM 1653 C VAL A 106 -7.431 1.570 -1.931 1.00 0.00 C ATOM 1654 O VAL A 106 -8.059 2.244 -2.747 1.00 0.00 O ATOM 1655 CB VAL A 106 -9.291 -0.080 -1.720 1.00 0.00 C ATOM 1656 CG1 VAL A 106 -9.128 -1.587 -1.606 1.00 0.00 C ATOM 1657 CG2 VAL A 106 -10.669 0.359 -1.239 1.00 0.00 C ATOM 0 H VAL A 106 -9.577 1.801 0.066 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.490 -0.116 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.215 0.198 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.934 -2.082 -2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.170 -1.883 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.163 -1.878 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.437 -0.175 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.772 0.136 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.785 1.431 -1.397 1.00 0.00 H new ATOM 1667 N ILE A 107 -6.111 1.612 -1.824 1.00 0.00 N ATOM 1668 CA ILE A 107 -5.301 2.469 -2.674 1.00 0.00 C ATOM 1669 C ILE A 107 -5.025 1.841 -4.039 1.00 0.00 C ATOM 1670 O ILE A 107 -4.081 2.231 -4.724 1.00 0.00 O ATOM 1671 CB ILE A 107 -3.967 2.814 -1.984 1.00 0.00 C ATOM 1672 CG1 ILE A 107 -3.354 4.063 -2.625 1.00 0.00 C ATOM 1673 CG2 ILE A 107 -3.005 1.626 -2.043 1.00 0.00 C ATOM 1674 CD1 ILE A 107 -1.843 4.076 -2.627 1.00 0.00 C ATOM 0 H ILE A 107 -5.577 1.059 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 107 -5.875 3.381 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 107 -4.157 3.029 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.709 4.143 -3.653 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.714 4.945 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.069 1.891 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.452 0.770 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.807 1.369 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.488 4.993 -3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.477 4.030 -1.601 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.472 3.215 -3.184 1.00 0.00 H new ATOM 1686 N GLY A 108 -5.846 0.874 -4.432 1.00 0.00 N ATOM 1687 CA GLY A 108 -5.660 0.224 -5.715 1.00 0.00 C ATOM 1688 C GLY A 108 -5.272 -1.232 -5.577 1.00 0.00 C ATOM 1689 O GLY A 108 -5.660 -1.896 -4.615 1.00 0.00 O ATOM 0 H GLY A 108 -6.636 0.529 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.581 0.298 -6.293 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.888 0.750 -6.277 1.00 0.00 H new ATOM 1693 N ARG A 109 -4.507 -1.736 -6.542 1.00 0.00 N ATOM 1694 CA ARG A 109 -4.073 -3.127 -6.518 1.00 0.00 C ATOM 1695 C ARG A 109 -2.806 -3.324 -7.346 1.00 0.00 C ATOM 1696 O ARG A 109 -2.402 -2.443 -8.105 1.00 0.00 O ATOM 1697 CB ARG A 109 -5.179 -4.044 -7.046 1.00 0.00 C ATOM 1698 CG ARG A 109 -6.563 -3.726 -6.495 1.00 0.00 C ATOM 1699 CD ARG A 109 -7.605 -4.695 -7.027 1.00 0.00 C ATOM 1700 NE ARG A 109 -7.373 -6.062 -6.564 1.00 0.00 N ATOM 1701 CZ ARG A 109 -8.309 -7.008 -6.550 1.00 0.00 C ATOM 1702 NH1 ARG A 109 -9.538 -6.745 -6.973 1.00 0.00 N ATOM 1703 NH2 ARG A 109 -8.013 -8.225 -6.110 1.00 0.00 N ATOM 0 H ARG A 109 -4.177 -1.203 -7.347 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.855 -3.386 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -5.207 -3.973 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.929 -5.076 -6.800 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -6.543 -3.772 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -6.839 -2.707 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.596 -4.369 -6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.595 -4.675 -8.117 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.440 -6.305 -6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -9.772 -5.812 -7.312 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.249 -7.476 -6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.070 -8.434 -5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.729 -8.951 -6.099 1.00 0.00 H new ATOM 1717 N ILE A 110 -2.187 -4.491 -7.195 1.00 0.00 N ATOM 1718 CA ILE A 110 -0.971 -4.818 -7.929 1.00 0.00 C ATOM 1719 C ILE A 110 -1.310 -5.534 -9.236 1.00 0.00 C ATOM 1720 O ILE A 110 -1.803 -6.662 -9.222 1.00 0.00 O ATOM 1721 CB ILE A 110 -0.034 -5.719 -7.095 1.00 0.00 C ATOM 1722 CG1 ILE A 110 0.282 -5.066 -5.743 1.00 0.00 C ATOM 1723 CG2 ILE A 110 1.251 -6.003 -7.863 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -0.325 -5.783 -4.552 1.00 0.00 C ATOM 0 H ILE A 110 -2.510 -5.228 -6.568 1.00 0.00 H new ATOM 0 HA ILE A 110 -0.461 -3.879 -8.143 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.543 -6.665 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.364 -5.024 -5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.077 -4.037 -5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.901 -6.639 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.012 -6.509 -8.798 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.761 -5.064 -8.079 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -0.055 -5.259 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.410 -5.802 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.053 -6.804 -4.511 1.00 0.00 H new ATOM 1736 N VAL A 111 -1.046 -4.875 -10.358 1.00 0.00 N ATOM 1737 CA VAL A 111 -1.330 -5.463 -11.668 1.00 0.00 C ATOM 1738 C VAL A 111 -0.046 -5.882 -12.386 1.00 0.00 C ATOM 1739 O VAL A 111 0.377 -7.033 -12.284 1.00 0.00 O ATOM 1740 CB VAL A 111 -2.143 -4.508 -12.575 1.00 0.00 C ATOM 1741 CG1 VAL A 111 -3.630 -4.804 -12.461 1.00 0.00 C ATOM 1742 CG2 VAL A 111 -1.860 -3.050 -12.240 1.00 0.00 C ATOM 0 H VAL A 111 -0.639 -3.940 -10.391 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.935 -6.349 -11.477 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.831 -4.679 -13.605 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.187 -4.123 -13.105 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.821 -5.832 -12.768 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.950 -4.669 -11.428 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.447 -2.406 -12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.131 -2.856 -11.202 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.799 -2.843 -12.383 1.00 0.00 H new ATOM 1816 N LEU A 117 6.393 -10.014 -2.957 1.00 0.00 N ATOM 1817 CA LEU A 117 7.095 -9.199 -1.966 1.00 0.00 C ATOM 1818 C LEU A 117 6.932 -9.766 -0.559 1.00 0.00 C ATOM 1819 O LEU A 117 7.853 -9.695 0.255 1.00 0.00 O ATOM 1820 CB LEU A 117 6.593 -7.753 -2.006 1.00 0.00 C ATOM 1821 CG LEU A 117 7.213 -6.822 -0.955 1.00 0.00 C ATOM 1822 CD1 LEU A 117 7.463 -5.438 -1.531 1.00 0.00 C ATOM 1823 CD2 LEU A 117 6.323 -6.729 0.278 1.00 0.00 C ATOM 0 HA LEU A 117 8.155 -9.217 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.792 -7.342 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.511 -7.756 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 117 8.172 -7.247 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.903 -4.799 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.147 -5.514 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.519 -5.007 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 117 6.783 -6.064 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.347 -6.336 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.202 -7.720 0.715 1.00 0.00 H new ATOM 1835 N LYS A 118 5.756 -10.326 -0.275 1.00 0.00 N ATOM 1836 CA LYS A 118 5.477 -10.906 1.040 1.00 0.00 C ATOM 1837 C LYS A 118 6.658 -11.733 1.580 1.00 0.00 C ATOM 1838 O LYS A 118 6.757 -11.954 2.787 1.00 0.00 O ATOM 1839 CB LYS A 118 4.209 -11.770 0.995 1.00 0.00 C ATOM 1840 CG LYS A 118 4.080 -12.643 -0.248 1.00 0.00 C ATOM 1841 CD LYS A 118 4.244 -14.118 0.083 1.00 0.00 C ATOM 1842 CE LYS A 118 5.644 -14.615 -0.238 1.00 0.00 C ATOM 1843 NZ LYS A 118 6.031 -14.326 -1.646 1.00 0.00 N ATOM 0 H LYS A 118 4.982 -10.391 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 118 5.321 -10.072 1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.190 -12.411 1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.338 -11.117 1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 118 3.106 -12.479 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.832 -12.348 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.035 -14.279 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 118 3.514 -14.700 -0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.359 -14.145 0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.696 -15.689 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.650 -15.084 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.177 -14.274 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.537 -13.418 -1.688 1.00 0.00 H new ATOM 1857 N GLY A 119 7.552 -12.187 0.695 1.00 0.00 N ATOM 1858 CA GLY A 119 8.697 -12.968 1.132 1.00 0.00 C ATOM 1859 C GLY A 119 9.925 -12.109 1.376 1.00 0.00 C ATOM 1860 O GLY A 119 11.053 -12.539 1.141 1.00 0.00 O ATOM 0 H GLY A 119 7.501 -12.027 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 119 8.442 -13.501 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.928 -13.722 0.379 1.00 0.00 H new ATOM 1864 N VAL A 120 9.697 -10.891 1.856 1.00 0.00 N ATOM 1865 CA VAL A 120 10.782 -9.952 2.146 1.00 0.00 C ATOM 1866 C VAL A 120 11.570 -10.387 3.379 1.00 0.00 C ATOM 1867 O VAL A 120 11.036 -11.081 4.241 1.00 0.00 O ATOM 1868 CB VAL A 120 10.252 -8.524 2.391 1.00 0.00 C ATOM 1869 CG1 VAL A 120 9.805 -7.872 1.092 1.00 0.00 C ATOM 1870 CG2 VAL A 120 9.119 -8.539 3.407 1.00 0.00 C ATOM 0 H VAL A 120 8.765 -10.527 2.054 1.00 0.00 H new ATOM 0 HA VAL A 120 11.430 -9.951 1.270 1.00 0.00 H new ATOM 0 HB VAL A 120 11.069 -7.928 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 120 9.437 -6.867 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.649 -7.816 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.009 -8.465 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 120 8.759 -7.522 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.304 -9.158 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.482 -8.947 4.350 1.00 0.00 H new ATOM 1880 N ALA A 121 12.834 -9.970 3.466 1.00 0.00 N ATOM 1881 CA ALA A 121 13.669 -10.307 4.618 1.00 0.00 C ATOM 1882 C ALA A 121 13.359 -9.355 5.771 1.00 0.00 C ATOM 1883 O ALA A 121 12.996 -8.201 5.545 1.00 0.00 O ATOM 1884 CB ALA A 121 15.147 -10.251 4.257 1.00 0.00 C ATOM 0 H ALA A 121 13.299 -9.402 2.757 1.00 0.00 H new ATOM 0 HA ALA A 121 13.444 -11.328 4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 121 15.745 -10.506 5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 121 15.353 -10.962 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 121 15.402 -9.245 3.924 1.00 0.00 H new ATOM 1890 N ASP A 122 13.473 -9.841 7.004 1.00 0.00 N ATOM 1891 CA ASP A 122 13.168 -9.019 8.172 1.00 0.00 C ATOM 1892 C ASP A 122 13.985 -7.729 8.203 1.00 0.00 C ATOM 1893 O ASP A 122 15.213 -7.754 8.297 1.00 0.00 O ATOM 1894 CB ASP A 122 13.375 -9.806 9.466 1.00 0.00 C ATOM 1895 CG ASP A 122 14.840 -9.993 9.818 1.00 0.00 C ATOM 1896 OD1 ASP A 122 15.627 -10.343 8.912 1.00 0.00 O ATOM 1897 OD2 ASP A 122 15.199 -9.791 10.996 1.00 0.00 O ATOM 0 H ASP A 122 13.772 -10.792 7.220 1.00 0.00 H new ATOM 0 HA ASP A 122 12.117 -8.740 8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.874 -9.288 10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.902 -10.783 9.370 1.00 0.00 H new ATOM 1902 N GLY A 123 13.279 -6.603 8.150 1.00 0.00 N ATOM 1903 CA GLY A 123 13.927 -5.305 8.202 1.00 0.00 C ATOM 1904 C GLY A 123 14.811 -5.007 7.003 1.00 0.00 C ATOM 1905 O GLY A 123 15.949 -5.470 6.932 1.00 0.00 O ATOM 0 H GLY A 123 12.263 -6.567 8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.163 -4.532 8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.530 -5.247 9.108 1.00 0.00 H new ATOM 1909 N GLU A 124 14.293 -4.207 6.073 1.00 0.00 N ATOM 1910 CA GLU A 124 15.052 -3.817 4.886 1.00 0.00 C ATOM 1911 C GLU A 124 14.623 -2.432 4.409 1.00 0.00 C ATOM 1912 O GLU A 124 13.512 -1.983 4.688 1.00 0.00 O ATOM 1913 CB GLU A 124 14.899 -4.838 3.744 1.00 0.00 C ATOM 1914 CG GLU A 124 13.932 -5.985 4.021 1.00 0.00 C ATOM 1915 CD GLU A 124 14.149 -7.150 3.076 1.00 0.00 C ATOM 1916 OE1 GLU A 124 15.307 -7.602 2.948 1.00 0.00 O ATOM 1917 OE2 GLU A 124 13.167 -7.606 2.458 1.00 0.00 O ATOM 0 H GLU A 124 13.352 -3.816 6.118 1.00 0.00 H new ATOM 0 HA GLU A 124 16.104 -3.791 5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 124 14.566 -4.311 2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.880 -5.257 3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.057 -6.324 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.907 -5.626 3.925 1.00 0.00 H new ATOM 1924 N SER A 125 15.520 -1.754 3.699 1.00 0.00 N ATOM 1925 CA SER A 125 15.248 -0.413 3.190 1.00 0.00 C ATOM 1926 C SER A 125 13.980 -0.379 2.338 1.00 0.00 C ATOM 1927 O SER A 125 13.473 -1.418 1.912 1.00 0.00 O ATOM 1928 CB SER A 125 16.436 0.091 2.369 1.00 0.00 C ATOM 1929 OG SER A 125 16.316 1.477 2.095 1.00 0.00 O ATOM 0 H SER A 125 16.445 -2.113 3.462 1.00 0.00 H new ATOM 0 HA SER A 125 15.095 0.240 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 125 17.363 -0.097 2.911 1.00 0.00 H new ATOM 0 HB3 SER A 125 16.497 -0.464 1.433 1.00 0.00 H new ATOM 0 HG SER A 125 17.088 1.775 1.571 1.00 0.00 H new ATOM 1935 N VAL A 126 13.484 0.831 2.093 1.00 0.00 N ATOM 1936 CA VAL A 126 12.282 1.032 1.290 1.00 0.00 C ATOM 1937 C VAL A 126 12.246 2.452 0.723 1.00 0.00 C ATOM 1938 O VAL A 126 12.392 3.423 1.463 1.00 0.00 O ATOM 1939 CB VAL A 126 10.994 0.783 2.112 1.00 0.00 C ATOM 1940 CG1 VAL A 126 9.761 0.905 1.235 1.00 0.00 C ATOM 1941 CG2 VAL A 126 11.033 -0.578 2.784 1.00 0.00 C ATOM 0 H VAL A 126 13.901 1.694 2.443 1.00 0.00 H new ATOM 0 HA VAL A 126 12.319 0.309 0.475 1.00 0.00 H new ATOM 0 HB VAL A 126 10.941 1.546 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 126 8.869 0.726 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 126 9.716 1.907 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 126 9.812 0.170 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 126 10.117 -0.728 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 126 11.119 -1.356 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 126 11.891 -0.628 3.455 1.00 0.00 H new ATOM 1951 N VAL A 127 12.057 2.570 -0.590 1.00 0.00 N ATOM 1952 CA VAL A 127 12.010 3.881 -1.235 1.00 0.00 C ATOM 1953 C VAL A 127 10.737 4.048 -2.060 1.00 0.00 C ATOM 1954 O VAL A 127 10.585 3.440 -3.120 1.00 0.00 O ATOM 1955 CB VAL A 127 13.238 4.113 -2.144 1.00 0.00 C ATOM 1956 CG1 VAL A 127 14.518 4.160 -1.319 1.00 0.00 C ATOM 1957 CG2 VAL A 127 13.320 3.040 -3.219 1.00 0.00 C ATOM 0 H VAL A 127 11.935 1.780 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 127 12.019 4.622 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 127 13.122 5.077 -2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 127 15.370 4.324 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 127 14.456 4.974 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 127 14.645 3.215 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 127 14.191 3.221 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 127 13.409 2.060 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 127 12.418 3.068 -3.831 1.00 0.00 H new ATOM 1967 N VAL A 128 9.826 4.882 -1.565 1.00 0.00 N ATOM 1968 CA VAL A 128 8.560 5.141 -2.252 1.00 0.00 C ATOM 1969 C VAL A 128 8.751 6.200 -3.343 1.00 0.00 C ATOM 1970 O VAL A 128 9.302 7.268 -3.079 1.00 0.00 O ATOM 1971 CB VAL A 128 7.468 5.638 -1.273 1.00 0.00 C ATOM 1972 CG1 VAL A 128 6.110 5.037 -1.608 1.00 0.00 C ATOM 1973 CG2 VAL A 128 7.835 5.326 0.172 1.00 0.00 C ATOM 0 H VAL A 128 9.940 5.392 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 128 8.238 4.197 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 128 7.404 6.720 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.365 5.405 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.825 5.324 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.167 3.951 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 128 7.048 5.688 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 128 7.945 4.249 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.775 5.818 0.423 1.00 0.00 H new ATOM 1983 N GLU A 129 8.302 5.911 -4.566 1.00 0.00 N ATOM 1984 CA GLU A 129 8.441 6.857 -5.668 1.00 0.00 C ATOM 1985 C GLU A 129 7.353 6.648 -6.723 1.00 0.00 C ATOM 1986 O GLU A 129 7.142 5.531 -7.194 1.00 0.00 O ATOM 1987 CB GLU A 129 9.821 6.710 -6.312 1.00 0.00 C ATOM 1988 CG GLU A 129 10.175 5.276 -6.669 1.00 0.00 C ATOM 1989 CD GLU A 129 11.661 5.084 -6.900 1.00 0.00 C ATOM 1990 OE1 GLU A 129 12.129 5.362 -8.025 1.00 0.00 O ATOM 1991 OE2 GLU A 129 12.358 4.654 -5.956 1.00 0.00 O ATOM 0 H GLU A 129 7.842 5.035 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 129 8.332 7.863 -5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.859 7.320 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 129 10.575 7.103 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.847 4.614 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.630 4.984 -7.567 1.00 0.00 H new ATOM 1998 N ARG A 130 6.671 7.732 -7.095 1.00 0.00 N ATOM 1999 CA ARG A 130 5.613 7.665 -8.099 1.00 0.00 C ATOM 2000 C ARG A 130 6.208 7.550 -9.501 1.00 0.00 C ATOM 2001 O ARG A 130 6.456 8.556 -10.164 1.00 0.00 O ATOM 2002 CB ARG A 130 4.722 8.906 -8.009 1.00 0.00 C ATOM 2003 CG ARG A 130 3.599 8.940 -9.033 1.00 0.00 C ATOM 2004 CD ARG A 130 3.993 9.723 -10.276 1.00 0.00 C ATOM 2005 NE ARG A 130 4.065 8.872 -11.460 1.00 0.00 N ATOM 2006 CZ ARG A 130 3.013 8.254 -11.994 1.00 0.00 C ATOM 2007 NH1 ARG A 130 1.811 8.389 -11.451 1.00 0.00 N ATOM 2008 NH2 ARG A 130 3.165 7.502 -13.076 1.00 0.00 N ATOM 0 H ARG A 130 6.833 8.665 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 130 5.010 6.778 -7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 130 4.290 8.958 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.341 9.794 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 130 3.332 7.921 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 130 2.712 9.390 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 130 3.270 10.520 -10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 130 4.960 10.199 -10.113 1.00 0.00 H new ATOM 0 HE ARG A 130 4.974 8.743 -11.904 1.00 0.00 H new ATOM 0 HH11 ARG A 130 1.689 8.968 -10.620 1.00 0.00 H new ATOM 0 HH12 ARG A 130 1.009 7.914 -11.864 1.00 0.00 H new ATOM 0 HH21 ARG A 130 4.087 7.397 -13.499 1.00 0.00 H new ATOM 0 HH22 ARG A 130 2.360 7.029 -13.485 1.00 0.00 H new ATOM 2022 N ALA A 131 6.433 6.315 -9.943 1.00 0.00 N ATOM 2023 CA ALA A 131 6.998 6.057 -11.267 1.00 0.00 C ATOM 2024 C ALA A 131 8.153 7.007 -11.583 1.00 0.00 C ATOM 2025 O ALA A 131 8.436 7.215 -12.780 1.00 0.00 O ATOM 2026 CB ALA A 131 5.917 6.168 -12.327 1.00 0.00 C ATOM 2027 OXT ALA A 131 8.763 7.533 -10.628 1.00 0.00 O ATOM 0 H ALA A 131 6.232 5.474 -9.402 1.00 0.00 H new ATOM 0 HA ALA A 131 7.397 5.043 -11.267 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.349 5.974 -13.309 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.133 5.438 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.492 7.172 -12.309 1.00 0.00 H new