USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 305 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0247 USER MOD Single : A 25 THR OG1 : rot -51:sc= 0.86 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 3:sc= -3.72! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 -2.097 -13.097 -1.234 1.00 0.00 N ATOM 76 CA VAL A 6 -1.296 -12.197 -0.369 1.00 0.00 C ATOM 77 C VAL A 6 -1.338 -10.750 -0.863 1.00 0.00 C ATOM 78 O VAL A 6 -1.508 -9.815 -0.080 1.00 0.00 O ATOM 79 CB VAL A 6 0.171 -12.665 -0.231 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.092 -12.381 -1.430 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.836 -12.027 0.993 1.00 0.00 C ATOM 0 HA VAL A 6 -1.757 -12.241 0.618 1.00 0.00 H new ATOM 0 HB VAL A 6 0.071 -13.747 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.093 -12.754 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.700 -12.880 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.136 -11.307 -1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.867 -12.372 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.823 -10.942 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.291 -12.312 1.893 1.00 0.00 H new ATOM 91 N LYS A 7 -1.249 -10.576 -2.183 1.00 0.00 N ATOM 92 CA LYS A 7 -1.364 -9.271 -2.827 1.00 0.00 C ATOM 93 C LYS A 7 -2.765 -8.695 -2.588 1.00 0.00 C ATOM 94 O LYS A 7 -2.854 -7.561 -2.143 1.00 0.00 O ATOM 95 CB LYS A 7 -1.030 -9.367 -4.323 1.00 0.00 C ATOM 96 CG LYS A 7 0.451 -9.714 -4.588 1.00 0.00 C ATOM 97 CD LYS A 7 0.641 -10.415 -5.951 1.00 0.00 C ATOM 98 CE LYS A 7 1.440 -11.725 -5.856 1.00 0.00 C ATOM 99 NZ LYS A 7 2.903 -11.512 -5.900 1.00 0.00 N ATOM 0 H LYS A 7 -1.094 -11.343 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.639 -8.589 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.663 -10.125 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.267 -8.418 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.048 -8.803 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.821 -10.360 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.337 -10.625 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.151 -9.735 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.180 -12.237 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.149 -12.382 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.389 -12.429 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.160 -11.049 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.190 -10.908 -5.103 1.00 0.00 H new ATOM 113 N ASP A 8 -3.847 -9.466 -2.780 1.00 0.00 N ATOM 114 CA ASP A 8 -5.240 -9.047 -2.494 1.00 0.00 C ATOM 115 C ASP A 8 -5.440 -8.525 -1.062 1.00 0.00 C ATOM 116 O ASP A 8 -6.055 -7.477 -0.858 1.00 0.00 O ATOM 117 CB ASP A 8 -6.210 -10.206 -2.804 1.00 0.00 C ATOM 118 CG ASP A 8 -6.830 -10.126 -4.218 1.00 0.00 C ATOM 119 OD1 ASP A 8 -6.087 -10.184 -5.226 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.076 -10.006 -4.318 1.00 0.00 O ATOM 0 H ASP A 8 -3.784 -10.416 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.460 -8.203 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.679 -11.152 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.010 -10.208 -2.064 1.00 0.00 H new ATOM 125 N MET A 9 -4.875 -9.221 -0.077 1.00 0.00 N ATOM 126 CA MET A 9 -4.841 -8.766 1.323 1.00 0.00 C ATOM 127 C MET A 9 -4.135 -7.411 1.510 1.00 0.00 C ATOM 128 O MET A 9 -4.679 -6.509 2.156 1.00 0.00 O ATOM 129 CB MET A 9 -4.180 -9.832 2.208 1.00 0.00 C ATOM 130 CG MET A 9 -5.242 -10.702 2.875 1.00 0.00 C ATOM 131 SD MET A 9 -4.558 -12.083 3.828 1.00 0.00 S ATOM 132 CE MET A 9 -5.971 -12.406 4.912 1.00 0.00 C ATOM 0 H MET A 9 -4.423 -10.124 -0.223 1.00 0.00 H new ATOM 0 HA MET A 9 -5.878 -8.619 1.626 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.517 -10.453 1.606 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.564 -9.352 2.968 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.846 -10.080 3.536 1.00 0.00 H new ATOM 0 HG3 MET A 9 -5.910 -11.096 2.109 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.735 -13.235 5.580 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.188 -11.515 5.502 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.842 -12.663 4.308 1.00 0.00 H new ATOM 142 N GLU A 10 -2.950 -7.226 0.920 1.00 0.00 N ATOM 143 CA GLU A 10 -2.220 -5.944 0.946 1.00 0.00 C ATOM 144 C GLU A 10 -2.928 -4.826 0.171 1.00 0.00 C ATOM 145 O GLU A 10 -2.942 -3.688 0.622 1.00 0.00 O ATOM 146 CB GLU A 10 -0.792 -6.126 0.423 1.00 0.00 C ATOM 147 CG GLU A 10 0.280 -6.148 1.516 1.00 0.00 C ATOM 148 CD GLU A 10 0.123 -7.308 2.492 1.00 0.00 C ATOM 149 OE1 GLU A 10 0.731 -8.373 2.252 1.00 0.00 O ATOM 150 OE2 GLU A 10 -0.542 -7.124 3.538 1.00 0.00 O ATOM 0 H GLU A 10 -2.464 -7.962 0.407 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.191 -5.632 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.740 -7.058 -0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.567 -5.319 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.263 -6.206 1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.244 -5.210 2.069 1.00 0.00 H new ATOM 157 N ILE A 11 -3.595 -5.121 -0.941 1.00 0.00 N ATOM 158 CA ILE A 11 -4.410 -4.177 -1.720 1.00 0.00 C ATOM 159 C ILE A 11 -5.588 -3.633 -0.880 1.00 0.00 C ATOM 160 O ILE A 11 -5.847 -2.429 -0.856 1.00 0.00 O ATOM 161 CB ILE A 11 -4.909 -4.909 -2.992 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.747 -5.192 -3.971 1.00 0.00 C ATOM 163 CG2 ILE A 11 -6.022 -4.114 -3.703 1.00 0.00 C ATOM 164 CD1 ILE A 11 -4.027 -6.356 -4.939 1.00 0.00 C ATOM 0 H ILE A 11 -3.586 -6.058 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.810 -3.313 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.326 -5.862 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.542 -4.291 -4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.847 -5.415 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.347 -4.657 -4.590 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.867 -3.986 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.640 -3.136 -3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.169 -6.497 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.202 -7.269 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.909 -6.127 -5.538 1.00 0.00 H new ATOM 176 N ALA A 12 -6.293 -4.501 -0.150 1.00 0.00 N ATOM 177 CA ALA A 12 -7.318 -4.083 0.815 1.00 0.00 C ATOM 178 C ALA A 12 -6.752 -3.150 1.914 1.00 0.00 C ATOM 179 O ALA A 12 -7.365 -2.142 2.288 1.00 0.00 O ATOM 180 CB ALA A 12 -7.957 -5.334 1.421 1.00 0.00 C ATOM 0 H ALA A 12 -6.171 -5.512 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.073 -3.498 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.721 -5.040 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.413 -5.929 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.192 -5.925 1.925 1.00 0.00 H new ATOM 186 N ARG A 13 -5.536 -3.442 2.384 1.00 0.00 N ATOM 187 CA ARG A 13 -4.785 -2.542 3.255 1.00 0.00 C ATOM 188 C ARG A 13 -4.597 -1.148 2.609 1.00 0.00 C ATOM 189 O ARG A 13 -4.938 -0.161 3.256 1.00 0.00 O ATOM 190 CB ARG A 13 -3.474 -3.228 3.688 1.00 0.00 C ATOM 191 CG ARG A 13 -3.552 -3.885 5.074 1.00 0.00 C ATOM 192 CD ARG A 13 -3.470 -2.892 6.248 1.00 0.00 C ATOM 193 NE ARG A 13 -2.182 -3.001 6.962 1.00 0.00 N ATOM 194 CZ ARG A 13 -1.903 -2.537 8.171 1.00 0.00 C ATOM 195 NH1 ARG A 13 -2.741 -1.796 8.845 1.00 0.00 N ATOM 196 NH2 ARG A 13 -0.758 -2.810 8.734 1.00 0.00 N ATOM 0 H ARG A 13 -5.047 -4.311 2.169 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.353 -2.343 4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.210 -3.986 2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.671 -2.491 3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.486 -4.442 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.742 -4.608 5.167 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.595 -1.875 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.289 -3.080 6.942 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.428 -3.484 6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.647 -1.556 8.443 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.490 -1.458 9.774 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.072 -3.383 8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.549 -2.450 9.665 1.00 0.00 H new ATOM 210 N LEU A 14 -4.195 -1.033 1.331 1.00 0.00 N ATOM 211 CA LEU A 14 -4.148 0.236 0.581 1.00 0.00 C ATOM 212 C LEU A 14 -5.461 1.032 0.580 1.00 0.00 C ATOM 213 O LEU A 14 -5.445 2.252 0.761 1.00 0.00 O ATOM 214 CB LEU A 14 -3.679 0.020 -0.871 1.00 0.00 C ATOM 215 CG LEU A 14 -2.159 0.044 -0.984 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.515 -1.273 -0.575 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.744 0.526 -2.364 1.00 0.00 C ATOM 0 H LEU A 14 -3.888 -1.834 0.780 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.420 0.839 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.056 -0.935 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.103 0.795 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.775 0.764 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.432 -1.196 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.768 -1.495 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.883 -2.073 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.656 0.539 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.148 -0.147 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.130 1.532 -2.529 1.00 0.00 H new ATOM 229 N MET A 15 -6.600 0.364 0.404 1.00 0.00 N ATOM 230 CA MET A 15 -7.910 1.021 0.490 1.00 0.00 C ATOM 231 C MET A 15 -8.132 1.758 1.820 1.00 0.00 C ATOM 232 O MET A 15 -8.737 2.836 1.823 1.00 0.00 O ATOM 233 CB MET A 15 -9.020 -0.011 0.266 1.00 0.00 C ATOM 234 CG MET A 15 -10.380 0.675 0.125 1.00 0.00 C ATOM 235 SD MET A 15 -11.710 -0.440 -0.391 1.00 0.00 S ATOM 236 CE MET A 15 -12.346 0.535 -1.776 1.00 0.00 C ATOM 0 H MET A 15 -6.645 -0.634 0.200 1.00 0.00 H new ATOM 0 HA MET A 15 -7.938 1.780 -0.292 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.806 -0.592 -0.631 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.046 -0.711 1.101 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.648 1.129 1.079 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.295 1.484 -0.600 1.00 0.00 H new ATOM 0 HE1 MET A 15 -13.184 0.011 -2.236 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.681 1.507 -1.413 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.557 0.676 -2.515 1.00 0.00 H new ATOM 246 N SER A 16 -7.613 1.221 2.928 1.00 0.00 N ATOM 247 CA SER A 16 -7.677 1.914 4.231 1.00 0.00 C ATOM 248 C SER A 16 -7.064 3.336 4.186 1.00 0.00 C ATOM 249 O SER A 16 -7.689 4.314 4.609 1.00 0.00 O ATOM 250 CB SER A 16 -7.014 1.060 5.320 1.00 0.00 C ATOM 251 OG SER A 16 -7.559 1.374 6.590 1.00 0.00 O ATOM 0 H SER A 16 -7.145 0.315 2.956 1.00 0.00 H new ATOM 0 HA SER A 16 -8.731 2.044 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.164 0.002 5.104 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.938 1.235 5.325 1.00 0.00 H new ATOM 0 HG SER A 16 -7.129 0.822 7.276 1.00 0.00 H new ATOM 257 N LEU A 17 -5.861 3.469 3.607 1.00 0.00 N ATOM 258 CA LEU A 17 -5.163 4.755 3.430 1.00 0.00 C ATOM 259 C LEU A 17 -5.827 5.692 2.401 1.00 0.00 C ATOM 260 O LEU A 17 -5.768 6.913 2.577 1.00 0.00 O ATOM 261 CB LEU A 17 -3.679 4.551 3.057 1.00 0.00 C ATOM 262 CG LEU A 17 -2.928 3.631 4.032 1.00 0.00 C ATOM 263 CD1 LEU A 17 -3.144 2.165 3.718 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.453 3.960 4.069 1.00 0.00 C ATOM 0 H LEU A 17 -5.336 2.674 3.242 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.233 5.244 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.618 4.131 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.182 5.521 3.028 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.345 3.814 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.594 1.555 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.207 1.932 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.787 1.952 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.949 3.292 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.027 3.833 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.318 4.992 4.392 1.00 0.00 H new ATOM 276 N GLY A 18 -6.464 5.161 1.344 1.00 0.00 N ATOM 277 CA GLY A 18 -7.191 5.960 0.350 1.00 0.00 C ATOM 278 C GLY A 18 -6.444 6.082 -0.983 1.00 0.00 C ATOM 279 O GLY A 18 -5.884 7.138 -1.288 1.00 0.00 O ATOM 0 H GLY A 18 -6.488 4.159 1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.167 5.509 0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.369 6.957 0.753 1.00 0.00 H new ATOM 283 N LEU A 19 -6.413 4.998 -1.764 1.00 0.00 N ATOM 284 CA LEU A 19 -5.717 4.883 -3.058 1.00 0.00 C ATOM 285 C LEU A 19 -6.669 4.349 -4.167 1.00 0.00 C ATOM 286 O LEU A 19 -7.835 4.043 -3.907 1.00 0.00 O ATOM 287 CB LEU A 19 -4.468 3.986 -2.848 1.00 0.00 C ATOM 288 CG LEU A 19 -3.343 4.687 -2.048 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.647 3.779 -1.042 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.270 5.248 -2.985 1.00 0.00 C ATOM 0 H LEU A 19 -6.892 4.136 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.392 5.863 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.765 3.077 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.079 3.682 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.847 5.484 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.872 4.340 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.376 3.410 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.195 2.936 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.492 5.735 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.832 4.435 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.721 5.974 -3.662 1.00 0.00 H new ATOM 302 N SER A 20 -6.160 4.300 -5.403 1.00 0.00 N ATOM 303 CA SER A 20 -6.839 3.785 -6.610 1.00 0.00 C ATOM 304 C SER A 20 -7.299 2.300 -6.488 1.00 0.00 C ATOM 305 O SER A 20 -7.374 1.722 -5.400 1.00 0.00 O ATOM 306 CB SER A 20 -5.927 3.975 -7.837 1.00 0.00 C ATOM 307 OG SER A 20 -5.246 5.223 -7.804 1.00 0.00 O ATOM 0 H SER A 20 -5.217 4.633 -5.605 1.00 0.00 H new ATOM 0 HA SER A 20 -7.754 4.366 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.199 3.165 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.524 3.911 -8.747 1.00 0.00 H new ATOM 0 HG SER A 20 -4.677 5.306 -8.597 1.00 0.00 H new ATOM 313 N ILE A 21 -7.563 1.639 -7.620 1.00 0.00 N ATOM 314 CA ILE A 21 -7.856 0.198 -7.697 1.00 0.00 C ATOM 315 C ILE A 21 -6.657 -0.537 -8.321 1.00 0.00 C ATOM 316 O ILE A 21 -5.642 -0.698 -7.654 1.00 0.00 O ATOM 317 CB ILE A 21 -9.232 -0.014 -8.378 1.00 0.00 C ATOM 318 CG1 ILE A 21 -9.662 -1.499 -8.308 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.323 0.598 -9.800 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.003 -1.801 -8.993 1.00 0.00 C ATOM 0 H ILE A 21 -7.580 2.099 -8.530 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.968 -0.255 -6.712 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.964 0.554 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.886 -2.112 -8.767 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.726 -1.798 -7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.314 0.411 -10.214 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.150 1.673 -9.745 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.569 0.141 -10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.229 -2.863 -8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.793 -1.218 -8.520 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.940 -1.537 -10.049 1.00 0.00 H new ATOM 332 N GLU A 22 -6.726 -0.929 -9.595 1.00 0.00 N ATOM 333 CA GLU A 22 -5.684 -1.667 -10.338 1.00 0.00 C ATOM 334 C GLU A 22 -4.332 -0.962 -10.297 1.00 0.00 C ATOM 335 O GLU A 22 -3.320 -1.594 -10.006 1.00 0.00 O ATOM 336 CB GLU A 22 -6.123 -1.888 -11.790 1.00 0.00 C ATOM 337 CG GLU A 22 -7.343 -2.810 -11.881 1.00 0.00 C ATOM 338 CD GLU A 22 -7.930 -2.795 -13.287 1.00 0.00 C ATOM 339 OE1 GLU A 22 -7.196 -3.104 -14.253 1.00 0.00 O ATOM 340 OE2 GLU A 22 -9.136 -2.487 -13.422 1.00 0.00 O ATOM 0 H GLU A 22 -7.546 -0.735 -10.170 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.560 -2.631 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.358 -0.928 -12.249 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.298 -2.319 -12.358 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.057 -3.827 -11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.099 -2.492 -11.163 1.00 0.00 H new ATOM 347 N GLU A 23 -4.297 0.363 -10.482 1.00 0.00 N ATOM 348 CA GLU A 23 -3.067 1.153 -10.271 1.00 0.00 C ATOM 349 C GLU A 23 -2.565 1.111 -8.830 1.00 0.00 C ATOM 350 O GLU A 23 -1.395 0.824 -8.628 1.00 0.00 O ATOM 351 CB GLU A 23 -3.274 2.606 -10.711 1.00 0.00 C ATOM 352 CG GLU A 23 -1.961 3.343 -10.962 1.00 0.00 C ATOM 353 CD GLU A 23 -1.392 2.976 -12.328 1.00 0.00 C ATOM 354 OE1 GLU A 23 -1.793 3.617 -13.325 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.535 2.068 -12.401 1.00 0.00 O ATOM 0 H GLU A 23 -5.103 0.915 -10.777 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.298 0.689 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.874 2.623 -11.621 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.841 3.135 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.126 4.419 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.242 3.091 -10.183 1.00 0.00 H new ATOM 362 N ALA A 24 -3.437 1.345 -7.840 1.00 0.00 N ATOM 363 CA ALA A 24 -3.067 1.167 -6.429 1.00 0.00 C ATOM 364 C ALA A 24 -2.414 -0.199 -6.172 1.00 0.00 C ATOM 365 O ALA A 24 -1.415 -0.238 -5.477 1.00 0.00 O ATOM 366 CB ALA A 24 -4.238 1.334 -5.472 1.00 0.00 C ATOM 0 H ALA A 24 -4.397 1.656 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.348 1.962 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.894 1.190 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.654 2.336 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.006 0.596 -5.704 1.00 0.00 H new ATOM 372 N THR A 25 -2.923 -1.283 -6.773 1.00 0.00 N ATOM 373 CA THR A 25 -2.342 -2.621 -6.633 1.00 0.00 C ATOM 374 C THR A 25 -0.916 -2.695 -7.198 1.00 0.00 C ATOM 375 O THR A 25 0.022 -3.109 -6.515 1.00 0.00 O ATOM 376 CB THR A 25 -3.210 -3.764 -7.203 1.00 0.00 C ATOM 377 OG1 THR A 25 -3.038 -4.059 -8.575 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.710 -3.604 -6.962 1.00 0.00 C ATOM 0 H THR A 25 -3.750 -1.255 -7.370 1.00 0.00 H new ATOM 0 HA THR A 25 -2.303 -2.782 -5.556 1.00 0.00 H new ATOM 0 HB THR A 25 -2.819 -4.599 -6.621 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.113 -3.234 -9.099 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.241 -4.451 -7.396 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.904 -3.564 -5.890 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.057 -2.682 -7.428 1.00 0.00 H new ATOM 386 N GLU A 26 -0.725 -2.255 -8.445 1.00 0.00 N ATOM 387 CA GLU A 26 0.594 -2.203 -9.101 1.00 0.00 C ATOM 388 C GLU A 26 1.575 -1.310 -8.344 1.00 0.00 C ATOM 389 O GLU A 26 2.637 -1.781 -7.943 1.00 0.00 O ATOM 390 CB GLU A 26 0.457 -1.757 -10.564 1.00 0.00 C ATOM 391 CG GLU A 26 0.775 -2.926 -11.487 1.00 0.00 C ATOM 392 CD GLU A 26 0.674 -2.484 -12.938 1.00 0.00 C ATOM 393 OE1 GLU A 26 1.665 -1.923 -13.458 1.00 0.00 O ATOM 394 OE2 GLU A 26 -0.384 -2.722 -13.564 1.00 0.00 O ATOM 0 H GLU A 26 -1.486 -1.921 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 26 1.005 -3.213 -9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.555 -1.397 -10.752 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.133 -0.926 -10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.778 -3.300 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.083 -3.747 -11.299 1.00 0.00 H new ATOM 401 N PHE A 27 1.198 -0.058 -8.080 1.00 0.00 N ATOM 402 CA PHE A 27 1.930 0.885 -7.233 1.00 0.00 C ATOM 403 C PHE A 27 2.362 0.265 -5.896 1.00 0.00 C ATOM 404 O PHE A 27 3.550 0.205 -5.620 1.00 0.00 O ATOM 405 CB PHE A 27 1.054 2.132 -7.017 1.00 0.00 C ATOM 406 CG PHE A 27 1.817 3.372 -6.606 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.604 4.019 -7.579 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.735 3.904 -5.300 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.313 5.185 -7.257 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.394 5.109 -5.005 1.00 0.00 C ATOM 411 CZ PHE A 27 3.193 5.744 -5.972 1.00 0.00 C ATOM 0 H PHE A 27 0.342 0.342 -8.465 1.00 0.00 H new ATOM 0 HA PHE A 27 2.854 1.164 -7.740 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.512 2.343 -7.939 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.309 1.909 -6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.662 3.615 -8.579 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.171 3.389 -4.536 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.949 5.653 -7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.286 5.552 -4.026 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.713 6.659 -5.729 1.00 0.00 H new ATOM 421 N TYR A 28 1.400 -0.266 -5.137 1.00 0.00 N ATOM 422 CA TYR A 28 1.635 -0.992 -3.877 1.00 0.00 C ATOM 423 C TYR A 28 2.871 -1.889 -3.954 1.00 0.00 C ATOM 424 O TYR A 28 3.776 -1.728 -3.137 1.00 0.00 O ATOM 425 CB TYR A 28 0.404 -1.796 -3.421 1.00 0.00 C ATOM 426 CG TYR A 28 0.597 -3.226 -2.957 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.384 -3.486 -1.831 1.00 0.00 C ATOM 428 CD2 TYR A 28 -0.020 -4.295 -3.635 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.657 -4.808 -1.463 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.265 -5.622 -3.272 1.00 0.00 C ATOM 431 CZ TYR A 28 1.142 -5.881 -2.207 1.00 0.00 C ATOM 432 OH TYR A 28 1.432 -7.167 -1.866 1.00 0.00 O ATOM 0 H TYR A 28 0.412 -0.204 -5.383 1.00 0.00 H new ATOM 0 HA TYR A 28 1.822 -0.229 -3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.067 -1.245 -2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.306 -1.810 -4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.780 -2.669 -1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.715 -4.094 -4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.271 -5.005 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.189 -6.440 -3.811 1.00 0.00 H new ATOM 0 HH TYR A 28 1.574 -7.225 -0.898 1.00 0.00 H new ATOM 442 N GLU A 29 2.919 -2.756 -4.973 1.00 0.00 N ATOM 443 CA GLU A 29 3.997 -3.738 -5.192 1.00 0.00 C ATOM 444 C GLU A 29 5.330 -3.117 -5.660 1.00 0.00 C ATOM 445 O GLU A 29 6.396 -3.563 -5.239 1.00 0.00 O ATOM 446 CB GLU A 29 3.551 -4.807 -6.206 1.00 0.00 C ATOM 447 CG GLU A 29 3.282 -6.172 -5.562 1.00 0.00 C ATOM 448 CD GLU A 29 3.633 -7.282 -6.542 1.00 0.00 C ATOM 449 OE1 GLU A 29 4.819 -7.673 -6.595 1.00 0.00 O ATOM 450 OE2 GLU A 29 2.725 -7.771 -7.248 1.00 0.00 O ATOM 0 H GLU A 29 2.193 -2.798 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 29 4.185 -4.186 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.647 -4.466 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.320 -4.918 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.872 -6.278 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.234 -6.248 -5.273 1.00 0.00 H new ATOM 457 N ASN A 30 5.295 -2.091 -6.518 1.00 0.00 N ATOM 458 CA ASN A 30 6.475 -1.371 -7.065 1.00 0.00 C ATOM 459 C ASN A 30 7.174 -0.394 -6.086 1.00 0.00 C ATOM 460 O ASN A 30 8.382 -0.164 -6.126 1.00 0.00 O ATOM 461 CB ASN A 30 5.988 -0.562 -8.287 1.00 0.00 C ATOM 462 CG ASN A 30 6.571 -1.096 -9.574 1.00 0.00 C ATOM 463 OD1 ASN A 30 7.353 -0.432 -10.247 1.00 0.00 O ATOM 464 ND2 ASN A 30 6.233 -2.316 -9.943 1.00 0.00 N ATOM 0 H ASN A 30 4.414 -1.717 -6.871 1.00 0.00 H new ATOM 0 HA ASN A 30 7.221 -2.130 -7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.900 -0.597 -8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.268 0.485 -8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.623 -2.717 -10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.582 -2.859 -9.375 1.00 0.00 H new ATOM 471 N ASP A 31 6.333 0.150 -5.214 1.00 0.00 N ATOM 472 CA ASP A 31 6.732 0.922 -4.036 1.00 0.00 C ATOM 473 C ASP A 31 7.480 -0.042 -3.091 1.00 0.00 C ATOM 474 O ASP A 31 8.685 0.086 -2.900 1.00 0.00 O ATOM 475 CB ASP A 31 5.509 1.611 -3.399 1.00 0.00 C ATOM 476 CG ASP A 31 5.128 2.934 -4.103 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.043 2.981 -5.352 1.00 0.00 O ATOM 478 OD2 ASP A 31 4.974 3.953 -3.383 1.00 0.00 O ATOM 0 H ASP A 31 5.321 0.065 -5.308 1.00 0.00 H new ATOM 0 HA ASP A 31 7.406 1.739 -4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.658 0.931 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.718 1.812 -2.348 1.00 0.00 H new ATOM 483 N VAL A 32 6.677 -0.945 -2.653 1.00 0.00 N ATOM 484 CA VAL A 32 6.968 -1.950 -1.529 1.00 0.00 C ATOM 485 C VAL A 32 5.838 -2.905 -1.101 1.00 0.00 C ATOM 486 O VAL A 32 5.271 -3.638 -1.906 1.00 0.00 O ATOM 487 CB VAL A 32 7.538 -1.121 -0.351 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.422 -0.201 0.180 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.337 -1.935 0.687 1.00 0.00 C ATOM 0 H VAL A 32 5.742 -1.062 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 32 7.678 -2.678 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 32 8.337 -0.472 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.804 0.392 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.089 0.464 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.583 -0.807 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.696 -1.270 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.694 -2.699 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.187 -2.412 0.199 1.00 0.00 H new ATOM 499 N THR A 33 5.621 -3.006 0.212 1.00 0.00 N ATOM 500 CA THR A 33 4.594 -3.810 0.868 1.00 0.00 C ATOM 501 C THR A 33 3.426 -2.995 1.447 1.00 0.00 C ATOM 502 O THR A 33 2.296 -3.346 1.133 1.00 0.00 O ATOM 503 CB THR A 33 5.252 -4.612 2.008 1.00 0.00 C ATOM 504 OG1 THR A 33 6.380 -5.334 1.541 1.00 0.00 O ATOM 505 CG2 THR A 33 4.330 -5.639 2.669 1.00 0.00 C ATOM 0 H THR A 33 6.194 -2.496 0.885 1.00 0.00 H new ATOM 0 HA THR A 33 4.167 -4.455 0.100 1.00 0.00 H new ATOM 0 HB THR A 33 5.522 -3.852 2.741 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.780 -5.833 2.284 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.872 -6.158 3.460 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.465 -5.130 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.996 -6.361 1.924 1.00 0.00 H new ATOM 513 N TYR A 34 3.533 -1.953 2.299 1.00 0.00 N ATOM 514 CA TYR A 34 2.360 -1.281 2.910 1.00 0.00 C ATOM 515 C TYR A 34 2.840 -0.084 3.789 1.00 0.00 C ATOM 516 O TYR A 34 2.509 1.072 3.565 1.00 0.00 O ATOM 517 CB TYR A 34 1.575 -2.237 3.827 1.00 0.00 C ATOM 518 CG TYR A 34 0.569 -1.492 4.680 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.661 -1.131 4.126 1.00 0.00 C ATOM 520 CD2 TYR A 34 0.903 -1.056 5.974 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.584 -0.412 4.900 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.023 -0.236 6.702 1.00 0.00 C ATOM 523 CZ TYR A 34 -1.231 0.085 6.163 1.00 0.00 C ATOM 524 OH TYR A 34 -2.108 0.862 6.856 1.00 0.00 O ATOM 0 H TYR A 34 4.428 -1.554 2.583 1.00 0.00 H new ATOM 0 HA TYR A 34 1.718 -0.946 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.058 -2.981 3.221 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.270 -2.777 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.900 -1.403 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.844 -1.354 6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.579 -0.239 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.311 0.144 7.671 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.709 1.122 7.712 1.00 0.00 H new ATOM 534 N GLU A 35 3.710 -0.443 4.745 1.00 0.00 N ATOM 535 CA GLU A 35 4.267 0.444 5.808 1.00 0.00 C ATOM 536 C GLU A 35 5.409 1.314 5.309 1.00 0.00 C ATOM 537 O GLU A 35 5.501 2.480 5.683 1.00 0.00 O ATOM 538 CB GLU A 35 4.683 -0.292 7.090 1.00 0.00 C ATOM 539 CG GLU A 35 3.679 -0.069 8.226 1.00 0.00 C ATOM 540 CD GLU A 35 3.693 -1.251 9.182 1.00 0.00 C ATOM 541 OE1 GLU A 35 4.698 -1.418 9.909 1.00 0.00 O ATOM 542 OE2 GLU A 35 2.694 -2.004 9.212 1.00 0.00 O ATOM 0 H GLU A 35 4.067 -1.396 4.812 1.00 0.00 H new ATOM 0 HA GLU A 35 3.430 1.090 6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.769 -1.359 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.669 0.052 7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.926 0.846 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.678 0.063 7.815 1.00 0.00 H new ATOM 549 N ARG A 36 6.229 0.776 4.406 1.00 0.00 N ATOM 550 CA ARG A 36 7.233 1.570 3.691 1.00 0.00 C ATOM 551 C ARG A 36 6.554 2.617 2.786 1.00 0.00 C ATOM 552 O ARG A 36 6.841 3.803 2.931 1.00 0.00 O ATOM 553 CB ARG A 36 8.151 0.654 2.871 1.00 0.00 C ATOM 554 CG ARG A 36 9.417 0.153 3.575 1.00 0.00 C ATOM 555 CD ARG A 36 9.213 -1.201 4.264 1.00 0.00 C ATOM 556 NE ARG A 36 10.494 -1.707 4.785 1.00 0.00 N ATOM 557 CZ ARG A 36 10.803 -1.998 6.038 1.00 0.00 C ATOM 558 NH1 ARG A 36 9.938 -1.909 7.012 1.00 0.00 N ATOM 559 NH2 ARG A 36 12.011 -2.387 6.334 1.00 0.00 N ATOM 0 H ARG A 36 6.219 -0.211 4.150 1.00 0.00 H new ATOM 0 HA ARG A 36 7.842 2.101 4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.572 -0.212 2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.450 1.188 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.223 0.068 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.732 0.889 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.496 -1.098 5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.792 -1.916 3.558 1.00 0.00 H new ATOM 0 HE ARG A 36 11.233 -1.851 4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.983 -1.606 6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.217 -2.143 7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.715 -2.466 5.601 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.252 -2.612 7.299 1.00 0.00 H new ATOM 573 N TYR A 37 5.630 2.237 1.879 1.00 0.00 N ATOM 574 CA TYR A 37 5.012 3.210 0.961 1.00 0.00 C ATOM 575 C TYR A 37 4.248 4.249 1.771 1.00 0.00 C ATOM 576 O TYR A 37 4.451 5.432 1.558 1.00 0.00 O ATOM 577 CB TYR A 37 4.134 2.582 -0.148 1.00 0.00 C ATOM 578 CG TYR A 37 2.647 2.458 0.133 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.855 3.622 0.148 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.070 1.213 0.434 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.527 3.570 0.578 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.730 1.157 0.847 1.00 0.00 C ATOM 583 CZ TYR A 37 -0.025 2.337 0.942 1.00 0.00 C ATOM 584 OH TYR A 37 -1.301 2.314 1.375 1.00 0.00 O ATOM 0 H TYR A 37 5.301 1.278 1.765 1.00 0.00 H new ATOM 0 HA TYR A 37 5.823 3.689 0.414 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.259 3.175 -1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.522 1.586 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.277 4.562 -0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.652 0.307 0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.067 4.471 0.629 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.280 0.206 1.092 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.681 3.216 1.322 1.00 0.00 H new ATOM 594 N LEU A 38 3.437 3.800 2.731 1.00 0.00 N ATOM 595 CA LEU A 38 2.716 4.689 3.643 1.00 0.00 C ATOM 596 C LEU A 38 3.625 5.797 4.201 1.00 0.00 C ATOM 597 O LEU A 38 3.237 6.959 4.186 1.00 0.00 O ATOM 598 CB LEU A 38 2.091 3.863 4.782 1.00 0.00 C ATOM 599 CG LEU A 38 1.648 4.676 6.016 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.779 5.893 5.695 1.00 0.00 C ATOM 601 CD2 LEU A 38 0.932 3.802 7.035 1.00 0.00 C ATOM 0 H LEU A 38 3.262 2.809 2.898 1.00 0.00 H new ATOM 0 HA LEU A 38 1.923 5.184 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.226 3.328 4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.812 3.111 5.102 1.00 0.00 H new ATOM 0 HG LEU A 38 2.579 5.055 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.514 6.405 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.332 6.575 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.129 5.568 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.635 4.409 7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.046 3.361 6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.601 3.009 7.368 1.00 0.00 H new ATOM 613 N GLU A 39 4.844 5.434 4.612 1.00 0.00 N ATOM 614 CA GLU A 39 5.841 6.394 5.126 1.00 0.00 C ATOM 615 C GLU A 39 6.380 7.349 4.056 1.00 0.00 C ATOM 616 O GLU A 39 6.526 8.545 4.316 1.00 0.00 O ATOM 617 CB GLU A 39 7.025 5.700 5.824 1.00 0.00 C ATOM 618 CG GLU A 39 7.145 6.153 7.280 1.00 0.00 C ATOM 619 CD GLU A 39 8.572 5.983 7.778 1.00 0.00 C ATOM 620 OE1 GLU A 39 9.428 6.822 7.418 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.832 5.035 8.552 1.00 0.00 O ATOM 0 H GLU A 39 5.173 4.468 4.600 1.00 0.00 H new ATOM 0 HA GLU A 39 5.291 6.984 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.891 4.619 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.949 5.926 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.846 7.197 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.465 5.573 7.904 1.00 0.00 H new ATOM 628 N ILE A 40 6.654 6.856 2.846 1.00 0.00 N ATOM 629 CA ILE A 40 7.204 7.641 1.726 1.00 0.00 C ATOM 630 C ILE A 40 6.146 8.626 1.173 1.00 0.00 C ATOM 631 O ILE A 40 6.398 9.825 1.069 1.00 0.00 O ATOM 632 CB ILE A 40 7.700 6.643 0.641 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.847 5.732 1.157 1.00 0.00 C ATOM 634 CG2 ILE A 40 8.184 7.372 -0.627 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.019 4.435 0.349 1.00 0.00 C ATOM 0 H ILE A 40 6.498 5.877 2.607 1.00 0.00 H new ATOM 0 HA ILE A 40 8.042 8.252 2.061 1.00 0.00 H new ATOM 0 HB ILE A 40 6.838 6.022 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.782 6.291 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.655 5.477 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.522 6.640 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.364 7.955 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.009 8.038 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.838 3.851 0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.098 3.853 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.243 4.680 -0.689 1.00 0.00 H new ATOM 647 N LEU A 41 4.935 8.145 0.885 1.00 0.00 N ATOM 648 CA LEU A 41 3.742 8.905 0.488 1.00 0.00 C ATOM 649 C LEU A 41 3.354 9.949 1.562 1.00 0.00 C ATOM 650 O LEU A 41 3.085 11.101 1.253 1.00 0.00 O ATOM 651 CB LEU A 41 2.596 7.893 0.219 1.00 0.00 C ATOM 652 CG LEU A 41 2.566 7.232 -1.182 1.00 0.00 C ATOM 653 CD1 LEU A 41 1.981 8.188 -2.218 1.00 0.00 C ATOM 654 CD2 LEU A 41 3.925 6.740 -1.673 1.00 0.00 C ATOM 0 H LEU A 41 4.746 7.143 0.925 1.00 0.00 H new ATOM 0 HA LEU A 41 3.945 9.473 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.658 7.102 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.646 8.405 0.374 1.00 0.00 H new ATOM 0 HG LEU A 41 1.932 6.353 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.969 7.704 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.963 8.455 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.592 9.089 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.815 6.291 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.617 7.580 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.316 5.997 -0.978 1.00 0.00 H new ATOM 666 N LYS A 42 3.349 9.530 2.828 1.00 0.00 N ATOM 667 CA LYS A 42 3.139 10.473 3.954 1.00 0.00 C ATOM 668 C LYS A 42 4.127 11.661 3.916 1.00 0.00 C ATOM 669 O LYS A 42 3.767 12.780 4.287 1.00 0.00 O ATOM 670 CB LYS A 42 3.225 9.852 5.352 1.00 0.00 C ATOM 671 CG LYS A 42 1.823 9.602 5.913 1.00 0.00 C ATOM 672 CD LYS A 42 1.892 9.257 7.412 1.00 0.00 C ATOM 673 CE LYS A 42 1.606 10.517 8.241 1.00 0.00 C ATOM 674 NZ LYS A 42 1.784 10.296 9.689 1.00 0.00 N ATOM 0 H LYS A 42 3.485 8.559 3.109 1.00 0.00 H new ATOM 0 HA LYS A 42 2.113 10.807 3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.778 8.914 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.777 10.515 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.204 10.487 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.348 8.786 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.167 8.479 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.877 8.861 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.268 11.320 7.916 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.585 10.849 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.579 11.177 10.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.134 9.549 10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.765 10.006 9.878 1.00 0.00 H new