USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 254 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0.602 F(o=-2,f=0.6) USER MOD Single : A 14 GLN :FLIP amide:sc= -1.39 F(o=-2.9!,f=-1.4) USER MOD Single : A 18 GLN : amide:sc= -0.888! C(o=-0.89!,f=-7.9!) USER MOD Single : A 19 SER OG : rot 76:sc= 0.235 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.0341 F(o=-0.62,f=-0.034) USER MOD Single : A 27 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.031) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 35 GLN : amide:sc= -0.0379 X(o=-0.038,f=-0.038) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N TYR A 7 1.030 0.484 -4.582 1.00 0.00 N ATOM 94 CA TYR A 7 1.243 -0.736 -5.307 1.00 0.00 C ATOM 95 C TYR A 7 2.383 -1.501 -4.695 1.00 0.00 C ATOM 96 O TYR A 7 2.286 -2.704 -4.507 1.00 0.00 O ATOM 97 CB TYR A 7 1.491 -0.474 -6.802 1.00 0.00 C ATOM 98 CG TYR A 7 1.590 -1.740 -7.629 1.00 0.00 C ATOM 99 CD1 TYR A 7 0.462 -2.516 -7.871 1.00 0.00 C ATOM 100 CD2 TYR A 7 2.801 -2.162 -8.164 1.00 0.00 C ATOM 101 CE1 TYR A 7 0.534 -3.672 -8.616 1.00 0.00 C ATOM 102 CE2 TYR A 7 2.880 -3.323 -8.916 1.00 0.00 C ATOM 103 CZ TYR A 7 1.740 -4.073 -9.136 1.00 0.00 C ATOM 104 OH TYR A 7 1.812 -5.235 -9.879 1.00 0.00 O ATOM 0 HA TYR A 7 0.337 -1.337 -5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.683 0.144 -7.193 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.412 0.097 -6.915 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.490 -2.206 -7.466 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.692 -1.577 -7.991 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.354 -4.261 -8.791 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.827 -3.640 -9.328 1.00 0.00 H new ATOM 0 HH TYR A 7 2.735 -5.377 -10.175 1.00 0.00 H new ATOM 114 N LYS A 8 3.444 -0.800 -4.331 1.00 0.00 N ATOM 115 CA LYS A 8 4.585 -1.455 -3.733 1.00 0.00 C ATOM 116 C LYS A 8 4.189 -2.058 -2.391 1.00 0.00 C ATOM 117 O LYS A 8 4.565 -3.184 -2.066 1.00 0.00 O ATOM 118 CB LYS A 8 5.746 -0.501 -3.545 1.00 0.00 C ATOM 119 CG LYS A 8 6.244 0.178 -4.810 1.00 0.00 C ATOM 120 CD LYS A 8 7.611 0.825 -4.581 1.00 0.00 C ATOM 121 CE LYS A 8 7.619 1.763 -3.374 1.00 0.00 C ATOM 122 NZ LYS A 8 8.959 2.329 -3.130 1.00 0.00 N ATOM 0 H LYS A 8 3.535 0.210 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 8 4.910 -2.244 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.450 0.269 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.575 -1.048 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.313 -0.552 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.527 0.936 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.359 0.045 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.900 1.382 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.907 2.572 -3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.287 1.220 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.924 2.960 -2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.634 1.558 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.265 2.868 -3.965 1.00 0.00 H new ATOM 136 N ARG A 9 3.379 -1.307 -1.643 1.00 0.00 N ATOM 137 CA ARG A 9 2.861 -1.753 -0.351 1.00 0.00 C ATOM 138 C ARG A 9 1.967 -2.980 -0.525 1.00 0.00 C ATOM 139 O ARG A 9 1.851 -3.810 0.379 1.00 0.00 O ATOM 140 CB ARG A 9 2.106 -0.622 0.355 1.00 0.00 C ATOM 141 CG ARG A 9 2.983 0.572 0.704 1.00 0.00 C ATOM 142 CD ARG A 9 2.175 1.716 1.298 1.00 0.00 C ATOM 143 NE ARG A 9 1.564 1.375 2.593 1.00 0.00 N ATOM 144 CZ ARG A 9 0.671 2.143 3.246 1.00 0.00 C ATOM 145 NH1 ARG A 9 0.251 3.286 2.709 1.00 0.00 N ATOM 146 NH2 ARG A 9 0.205 1.762 4.428 1.00 0.00 N ATOM 0 H ARG A 9 3.065 -0.376 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 9 3.707 -2.034 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.289 -0.287 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.657 -1.011 1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.751 0.263 1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.498 0.918 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.822 2.584 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.391 2.003 0.597 1.00 0.00 H new ATOM 0 HE ARG A 9 1.837 0.493 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.606 3.583 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.425 3.865 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.523 0.886 4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.471 2.345 4.921 1.00 0.00 H new ATOM 160 N LEU A 10 1.357 -3.101 -1.695 1.00 0.00 N ATOM 161 CA LEU A 10 0.569 -4.262 -2.020 1.00 0.00 C ATOM 162 C LEU A 10 1.445 -5.512 -2.031 1.00 0.00 C ATOM 163 O LEU A 10 1.086 -6.520 -1.420 1.00 0.00 O ATOM 164 CB LEU A 10 -0.174 -4.091 -3.351 1.00 0.00 C ATOM 165 CG LEU A 10 -0.923 -5.322 -3.860 1.00 0.00 C ATOM 166 CD1 LEU A 10 -1.926 -5.816 -2.834 1.00 0.00 C ATOM 167 CD2 LEU A 10 -1.593 -5.036 -5.188 1.00 0.00 C ATOM 0 H LEU A 10 1.398 -2.399 -2.434 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.190 -4.380 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.887 -3.274 -3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.546 -3.788 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.194 -6.117 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.444 -6.692 -3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.405 -6.082 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.651 -5.029 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.119 -5.927 -5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.304 -4.218 -5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.839 -4.756 -5.923 1.00 0.00 H new ATOM 179 N GLN A 11 2.597 -5.455 -2.707 1.00 0.00 N ATOM 180 CA GLN A 11 3.522 -6.607 -2.670 1.00 0.00 C ATOM 181 C GLN A 11 4.006 -6.879 -1.261 1.00 0.00 C ATOM 182 O GLN A 11 4.097 -8.036 -0.853 1.00 0.00 O ATOM 183 CB GLN A 11 4.722 -6.520 -3.638 1.00 0.00 C ATOM 184 CG GLN A 11 4.371 -6.764 -5.103 1.00 0.00 C ATOM 185 CD GLN A 11 3.679 -5.606 -5.758 1.00 0.00 C ATOM 186 OE1 GLN A 11 4.117 -4.428 -5.473 1.00 0.00 O flip ATOM 187 NE2 GLN A 11 2.821 -5.788 -6.606 1.00 0.00 N flip ATOM 0 H GLN A 11 2.909 -4.661 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 11 2.921 -7.444 -3.025 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.177 -5.534 -3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.474 -7.247 -3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.284 -6.989 -5.654 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.732 -7.644 -5.173 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.496 -6.733 -6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.429 -4.995 -7.113 1.00 0.00 H new ATOM 196 N GLU A 12 4.269 -5.809 -0.511 1.00 0.00 N ATOM 197 CA GLU A 12 4.695 -5.916 0.883 1.00 0.00 C ATOM 198 C GLU A 12 3.683 -6.739 1.673 1.00 0.00 C ATOM 199 O GLU A 12 4.042 -7.732 2.323 1.00 0.00 O ATOM 200 CB GLU A 12 4.821 -4.528 1.524 1.00 0.00 C ATOM 201 CG GLU A 12 5.788 -3.594 0.825 1.00 0.00 C ATOM 202 CD GLU A 12 7.202 -4.091 0.840 1.00 0.00 C ATOM 203 OE1 GLU A 12 7.955 -3.725 1.742 1.00 0.00 O ATOM 204 OE2 GLU A 12 7.594 -4.837 -0.060 1.00 0.00 O ATOM 0 H GLU A 12 4.193 -4.850 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 12 5.669 -6.405 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.836 -4.061 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.138 -4.648 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.469 -3.457 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.748 -2.615 1.303 1.00 0.00 H new ATOM 211 N CYS A 13 2.423 -6.350 1.552 1.00 0.00 N ATOM 212 CA CYS A 13 1.319 -6.991 2.243 1.00 0.00 C ATOM 213 C CYS A 13 1.193 -8.456 1.817 1.00 0.00 C ATOM 214 O CYS A 13 1.129 -9.360 2.661 1.00 0.00 O ATOM 215 CB CYS A 13 0.010 -6.239 1.947 1.00 0.00 C ATOM 216 SG CYS A 13 -1.386 -6.661 3.051 1.00 0.00 S ATOM 0 H CYS A 13 2.136 -5.569 0.962 1.00 0.00 H new ATOM 0 HA CYS A 13 1.515 -6.961 3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.199 -5.168 2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.285 -6.443 0.918 1.00 0.00 H new ATOM 221 N GLN A 14 1.232 -8.689 0.509 1.00 0.00 N ATOM 222 CA GLN A 14 1.061 -10.024 -0.043 1.00 0.00 C ATOM 223 C GLN A 14 2.179 -10.969 0.379 1.00 0.00 C ATOM 224 O GLN A 14 1.905 -12.082 0.803 1.00 0.00 O ATOM 225 CB GLN A 14 0.922 -9.984 -1.557 1.00 0.00 C ATOM 226 CG GLN A 14 -0.296 -9.227 -2.038 1.00 0.00 C ATOM 227 CD GLN A 14 -0.390 -9.184 -3.541 1.00 0.00 C ATOM 228 OE1 GLN A 14 0.269 -8.230 -4.128 1.00 0.00 O flip ATOM 229 NE2 GLN A 14 -1.028 -10.024 -4.168 1.00 0.00 N flip ATOM 0 H GLN A 14 1.382 -7.963 -0.191 1.00 0.00 H new ATOM 0 HA GLN A 14 0.133 -10.419 0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.815 -9.526 -1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.877 -11.005 -1.936 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.194 -9.695 -1.634 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.264 -8.209 -1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.532 -10.758 -3.670 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.054 -9.989 -5.187 1.00 0.00 H new ATOM 238 N ARG A 15 3.431 -10.509 0.311 1.00 0.00 N ATOM 239 CA ARG A 15 4.572 -11.331 0.728 1.00 0.00 C ATOM 240 C ARG A 15 4.480 -11.701 2.202 1.00 0.00 C ATOM 241 O ARG A 15 4.910 -12.785 2.605 1.00 0.00 O ATOM 242 CB ARG A 15 5.903 -10.649 0.416 1.00 0.00 C ATOM 243 CG ARG A 15 6.226 -10.568 -1.069 1.00 0.00 C ATOM 244 CD ARG A 15 6.482 -11.952 -1.672 1.00 0.00 C ATOM 245 NE ARG A 15 7.668 -12.602 -1.076 1.00 0.00 N ATOM 246 CZ ARG A 15 8.009 -13.900 -1.207 1.00 0.00 C ATOM 247 NH1 ARG A 15 7.168 -14.770 -1.759 1.00 0.00 N ATOM 248 NH2 ARG A 15 9.166 -14.331 -0.713 1.00 0.00 N ATOM 0 H ARG A 15 3.680 -9.579 -0.026 1.00 0.00 H new ATOM 0 HA ARG A 15 4.532 -12.253 0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.888 -9.640 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.703 -11.189 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.400 -10.090 -1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.104 -9.939 -1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.606 -12.583 -1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.622 -11.859 -2.749 1.00 0.00 H new ATOM 0 HE ARG A 15 8.285 -12.015 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.255 -14.458 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.436 -15.750 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.791 -13.681 -0.237 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.428 -15.312 -0.810 1.00 0.00 H new ATOM 262 N ARG A 16 3.883 -10.824 2.994 1.00 0.00 N ATOM 263 CA ARG A 16 3.665 -11.113 4.397 1.00 0.00 C ATOM 264 C ARG A 16 2.638 -12.199 4.532 1.00 0.00 C ATOM 265 O ARG A 16 2.829 -13.144 5.281 1.00 0.00 O ATOM 266 CB ARG A 16 3.240 -9.879 5.184 1.00 0.00 C ATOM 267 CG ARG A 16 4.309 -8.817 5.309 1.00 0.00 C ATOM 268 CD ARG A 16 5.523 -9.335 6.056 1.00 0.00 C ATOM 269 NE ARG A 16 5.187 -9.820 7.402 1.00 0.00 N ATOM 270 CZ ARG A 16 6.037 -9.873 8.423 1.00 0.00 C ATOM 271 NH1 ARG A 16 7.306 -9.507 8.263 1.00 0.00 N ATOM 272 NH2 ARG A 16 5.615 -10.302 9.601 1.00 0.00 N ATOM 0 H ARG A 16 3.544 -9.912 2.689 1.00 0.00 H new ATOM 0 HA ARG A 16 4.613 -11.446 4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.365 -9.441 4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.934 -10.188 6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.608 -8.481 4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.903 -7.950 5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.980 -10.143 5.485 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.265 -8.540 6.134 1.00 0.00 H new ATOM 0 HE ARG A 16 4.232 -10.139 7.565 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.632 -9.183 7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.952 -9.550 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.644 -10.589 9.721 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.261 -10.346 10.389 1.00 0.00 H new ATOM 286 N CYS A 17 1.576 -12.081 3.776 1.00 0.00 N ATOM 287 CA CYS A 17 0.537 -13.085 3.760 1.00 0.00 C ATOM 288 C CYS A 17 1.075 -14.438 3.328 1.00 0.00 C ATOM 289 O CYS A 17 0.679 -15.445 3.854 1.00 0.00 O ATOM 290 CB CYS A 17 -0.614 -12.668 2.858 1.00 0.00 C ATOM 291 SG CYS A 17 -1.551 -11.231 3.456 1.00 0.00 S ATOM 0 H CYS A 17 1.405 -11.290 3.155 1.00 0.00 H new ATOM 0 HA CYS A 17 0.165 -13.177 4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.220 -12.443 1.867 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.296 -13.511 2.746 1.00 0.00 H new ATOM 296 N GLN A 18 1.993 -14.445 2.393 1.00 0.00 N ATOM 297 CA GLN A 18 2.570 -15.684 1.899 1.00 0.00 C ATOM 298 C GLN A 18 3.430 -16.374 2.959 1.00 0.00 C ATOM 299 O GLN A 18 3.489 -17.597 3.015 1.00 0.00 O ATOM 300 CB GLN A 18 3.371 -15.433 0.629 1.00 0.00 C ATOM 301 CG GLN A 18 2.543 -14.817 -0.480 1.00 0.00 C ATOM 302 CD GLN A 18 3.325 -14.601 -1.752 1.00 0.00 C ATOM 303 OE1 GLN A 18 4.522 -14.384 -1.724 1.00 0.00 O ATOM 304 NE2 GLN A 18 2.663 -14.643 -2.859 1.00 0.00 N ATOM 0 H GLN A 18 2.363 -13.603 1.952 1.00 0.00 H new ATOM 0 HA GLN A 18 1.747 -16.358 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.209 -14.774 0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.793 -16.375 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.690 -15.462 -0.690 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.144 -13.862 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.660 -14.827 -2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.143 -14.492 -3.746 1.00 0.00 H new ATOM 313 N SER A 19 4.072 -15.594 3.798 1.00 0.00 N ATOM 314 CA SER A 19 4.902 -16.147 4.838 1.00 0.00 C ATOM 315 C SER A 19 4.084 -16.482 6.098 1.00 0.00 C ATOM 316 O SER A 19 4.208 -17.576 6.661 1.00 0.00 O ATOM 317 CB SER A 19 6.018 -15.166 5.174 1.00 0.00 C ATOM 318 OG SER A 19 6.767 -14.837 4.007 1.00 0.00 O ATOM 0 H SER A 19 4.034 -14.575 3.779 1.00 0.00 H new ATOM 0 HA SER A 19 5.333 -17.079 4.473 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.594 -14.260 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.678 -15.601 5.925 1.00 0.00 H new ATOM 0 HG SER A 19 6.256 -14.208 3.457 1.00 0.00 H new ATOM 324 N GLU A 20 3.252 -15.551 6.526 1.00 0.00 N ATOM 325 CA GLU A 20 2.502 -15.702 7.753 1.00 0.00 C ATOM 326 C GLU A 20 1.255 -16.561 7.587 1.00 0.00 C ATOM 327 O GLU A 20 0.796 -17.191 8.550 1.00 0.00 O ATOM 328 CB GLU A 20 2.139 -14.329 8.313 1.00 0.00 C ATOM 329 CG GLU A 20 3.353 -13.450 8.557 1.00 0.00 C ATOM 330 CD GLU A 20 3.013 -12.119 9.174 1.00 0.00 C ATOM 331 OE1 GLU A 20 2.805 -12.047 10.413 1.00 0.00 O ATOM 332 OE2 GLU A 20 2.988 -11.102 8.457 1.00 0.00 O ATOM 0 H GLU A 20 3.079 -14.674 6.034 1.00 0.00 H new ATOM 0 HA GLU A 20 3.145 -16.228 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.466 -13.826 7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.595 -14.456 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.049 -13.977 9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.867 -13.283 7.611 1.00 0.00 H new ATOM 339 N GLN A 21 0.721 -16.623 6.389 1.00 0.00 N ATOM 340 CA GLN A 21 -0.485 -17.377 6.148 1.00 0.00 C ATOM 341 C GLN A 21 -0.192 -18.438 5.092 1.00 0.00 C ATOM 342 O GLN A 21 0.876 -18.417 4.462 1.00 0.00 O ATOM 343 CB GLN A 21 -1.612 -16.454 5.633 1.00 0.00 C ATOM 344 CG GLN A 21 -1.807 -15.160 6.423 1.00 0.00 C ATOM 345 CD GLN A 21 -2.217 -15.358 7.864 1.00 0.00 C ATOM 346 OE1 GLN A 21 -2.902 -16.324 8.216 1.00 0.00 O ATOM 347 NE2 GLN A 21 -1.807 -14.447 8.703 1.00 0.00 N ATOM 0 H GLN A 21 1.104 -16.159 5.566 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.810 -17.838 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.404 -16.198 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.549 -17.011 5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.877 -14.591 6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.564 -14.555 5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.243 -13.665 8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.051 -14.517 9.691 1.00 0.00 H new ATOM 356 N GLN A 22 -1.102 -19.368 4.924 1.00 0.00 N ATOM 357 CA GLN A 22 -0.999 -20.380 3.896 1.00 0.00 C ATOM 358 C GLN A 22 -2.369 -20.867 3.508 1.00 0.00 C ATOM 359 O GLN A 22 -3.344 -20.632 4.235 1.00 0.00 O ATOM 360 CB GLN A 22 -0.139 -21.563 4.338 1.00 0.00 C ATOM 361 CG GLN A 22 -0.563 -22.197 5.647 1.00 0.00 C ATOM 362 CD GLN A 22 0.232 -23.427 5.969 1.00 0.00 C ATOM 363 OE1 GLN A 22 1.283 -23.354 6.601 1.00 0.00 O ATOM 364 NE2 GLN A 22 -0.249 -24.561 5.550 1.00 0.00 N ATOM 0 H GLN A 22 -1.940 -19.445 5.500 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.514 -19.919 3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.161 -22.323 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.895 -21.230 4.429 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.448 -21.472 6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.621 -22.454 5.597 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.125 -24.582 5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.250 -25.429 5.744 1.00 0.00 H new ATOM 373 N GLY A 23 -2.439 -21.492 2.350 1.00 0.00 N ATOM 374 CA GLY A 23 -3.661 -22.085 1.849 1.00 0.00 C ATOM 375 C GLY A 23 -4.810 -21.110 1.752 1.00 0.00 C ATOM 376 O GLY A 23 -4.684 -20.037 1.158 1.00 0.00 O ATOM 0 H GLY A 23 -1.641 -21.603 1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.471 -22.510 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.949 -22.909 2.501 1.00 0.00 H new ATOM 380 N GLN A 24 -5.904 -21.455 2.391 1.00 0.00 N ATOM 381 CA GLN A 24 -7.117 -20.658 2.366 1.00 0.00 C ATOM 382 C GLN A 24 -6.923 -19.376 3.149 1.00 0.00 C ATOM 383 O GLN A 24 -7.443 -18.325 2.775 1.00 0.00 O ATOM 384 CB GLN A 24 -8.281 -21.451 2.945 1.00 0.00 C ATOM 385 CG GLN A 24 -8.545 -22.768 2.232 1.00 0.00 C ATOM 386 CD GLN A 24 -8.922 -22.622 0.765 1.00 0.00 C ATOM 387 OE1 GLN A 24 -9.598 -21.559 0.417 1.00 0.00 O flip ATOM 388 NE2 GLN A 24 -8.619 -23.491 -0.052 1.00 0.00 N flip ATOM 0 H GLN A 24 -5.981 -22.305 2.950 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.343 -20.405 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.083 -21.653 3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.182 -20.839 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.655 -23.392 2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.347 -23.294 2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.091 -24.311 0.247 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.896 -23.392 -1.029 1.00 0.00 H new ATOM 397 N ARG A 25 -6.124 -19.457 4.205 1.00 0.00 N ATOM 398 CA ARG A 25 -5.827 -18.303 5.034 1.00 0.00 C ATOM 399 C ARG A 25 -5.038 -17.288 4.226 1.00 0.00 C ATOM 400 O ARG A 25 -5.184 -16.074 4.394 1.00 0.00 O ATOM 401 CB ARG A 25 -5.051 -18.723 6.257 1.00 0.00 C ATOM 402 CG ARG A 25 -5.794 -19.724 7.113 1.00 0.00 C ATOM 403 CD ARG A 25 -5.013 -20.004 8.348 1.00 0.00 C ATOM 404 NE ARG A 25 -5.614 -21.029 9.201 1.00 0.00 N ATOM 405 CZ ARG A 25 -5.053 -21.510 10.320 1.00 0.00 C ATOM 406 NH1 ARG A 25 -3.914 -20.994 10.774 1.00 0.00 N ATOM 407 NH2 ARG A 25 -5.639 -22.494 10.989 1.00 0.00 N ATOM 0 H ARG A 25 -5.668 -20.318 4.507 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.761 -17.847 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.099 -19.154 5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.821 -17.841 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.778 -19.335 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.954 -20.647 6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.008 -20.319 8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.910 -19.082 8.920 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.522 -21.404 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.464 -20.230 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.491 -21.363 11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.518 -22.887 10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.210 -22.858 11.840 1.00 0.00 H new ATOM 421 N LEU A 26 -4.218 -17.799 3.318 1.00 0.00 N ATOM 422 CA LEU A 26 -3.472 -16.965 2.404 1.00 0.00 C ATOM 423 C LEU A 26 -4.413 -16.307 1.426 1.00 0.00 C ATOM 424 O LEU A 26 -4.321 -15.108 1.215 1.00 0.00 O ATOM 425 CB LEU A 26 -2.385 -17.764 1.671 1.00 0.00 C ATOM 426 CG LEU A 26 -1.680 -17.074 0.487 1.00 0.00 C ATOM 427 CD1 LEU A 26 -1.064 -15.753 0.900 1.00 0.00 C ATOM 428 CD2 LEU A 26 -0.626 -17.986 -0.105 1.00 0.00 C ATOM 0 H LEU A 26 -4.056 -18.799 3.199 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.966 -16.191 2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.624 -18.046 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.834 -18.688 1.305 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.434 -16.866 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.576 -15.295 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.844 -15.088 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.329 -15.924 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.138 -17.484 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.115 -18.228 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.096 -18.904 -0.458 1.00 0.00 H new ATOM 440 N GLN A 27 -5.340 -17.094 0.877 1.00 0.00 N ATOM 441 CA GLN A 27 -6.332 -16.612 -0.100 1.00 0.00 C ATOM 442 C GLN A 27 -7.090 -15.406 0.449 1.00 0.00 C ATOM 443 O GLN A 27 -7.261 -14.395 -0.246 1.00 0.00 O ATOM 444 CB GLN A 27 -7.334 -17.715 -0.455 1.00 0.00 C ATOM 445 CG GLN A 27 -6.721 -18.967 -1.058 1.00 0.00 C ATOM 446 CD GLN A 27 -6.020 -18.714 -2.372 1.00 0.00 C ATOM 447 OE1 GLN A 27 -4.826 -18.416 -2.415 1.00 0.00 O ATOM 448 NE2 GLN A 27 -6.736 -18.853 -3.449 1.00 0.00 N ATOM 0 H GLN A 27 -5.429 -18.087 1.094 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.789 -16.320 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.880 -17.993 0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.063 -17.311 -1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.009 -19.392 -0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.504 -19.710 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.723 -19.101 -3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.311 -18.714 -4.366 1.00 0.00 H new ATOM 457 N GLU A 28 -7.524 -15.511 1.696 1.00 0.00 N ATOM 458 CA GLU A 28 -8.222 -14.430 2.358 1.00 0.00 C ATOM 459 C GLU A 28 -7.283 -13.251 2.610 1.00 0.00 C ATOM 460 O GLU A 28 -7.623 -12.104 2.323 1.00 0.00 O ATOM 461 CB GLU A 28 -8.798 -14.911 3.684 1.00 0.00 C ATOM 462 CG GLU A 28 -9.752 -16.084 3.563 1.00 0.00 C ATOM 463 CD GLU A 28 -10.953 -15.781 2.709 1.00 0.00 C ATOM 464 OE1 GLU A 28 -11.035 -16.292 1.579 1.00 0.00 O ATOM 465 OE2 GLU A 28 -11.847 -15.024 3.153 1.00 0.00 O ATOM 0 H GLU A 28 -7.401 -16.345 2.271 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.032 -14.102 1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.976 -15.193 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.320 -14.082 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.219 -16.936 3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.086 -16.378 4.558 1.00 0.00 H new ATOM 472 N CYS A 29 -6.094 -13.547 3.117 1.00 0.00 N ATOM 473 CA CYS A 29 -5.119 -12.517 3.467 1.00 0.00 C ATOM 474 C CYS A 29 -4.726 -11.687 2.239 1.00 0.00 C ATOM 475 O CYS A 29 -4.787 -10.449 2.273 1.00 0.00 O ATOM 476 CB CYS A 29 -3.879 -13.148 4.111 1.00 0.00 C ATOM 477 SG CYS A 29 -2.740 -11.965 4.935 1.00 0.00 S ATOM 0 H CYS A 29 -5.777 -14.500 3.297 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.583 -11.846 4.190 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.205 -13.885 4.845 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.324 -13.687 3.343 1.00 0.00 H new ATOM 482 N GLN A 30 -4.368 -12.363 1.146 1.00 0.00 N ATOM 483 CA GLN A 30 -3.978 -11.674 -0.085 1.00 0.00 C ATOM 484 C GLN A 30 -5.139 -10.870 -0.652 1.00 0.00 C ATOM 485 O GLN A 30 -4.938 -9.757 -1.140 1.00 0.00 O ATOM 486 CB GLN A 30 -3.391 -12.637 -1.134 1.00 0.00 C ATOM 487 CG GLN A 30 -4.302 -13.797 -1.506 1.00 0.00 C ATOM 488 CD GLN A 30 -3.719 -14.742 -2.536 1.00 0.00 C ATOM 489 OE1 GLN A 30 -2.426 -14.844 -2.582 1.00 0.00 O flip ATOM 490 NE2 GLN A 30 -4.444 -15.371 -3.298 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.340 -13.381 1.088 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.182 -10.977 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.157 -12.072 -2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.451 -13.037 -0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.538 -14.362 -0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.242 -13.398 -1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.457 -15.270 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.034 -15.996 -3.993 1.00 0.00 H new ATOM 499 N GLN A 31 -6.358 -11.417 -0.530 1.00 0.00 N ATOM 500 CA GLN A 31 -7.575 -10.739 -0.971 1.00 0.00 C ATOM 501 C GLN A 31 -7.707 -9.404 -0.265 1.00 0.00 C ATOM 502 O GLN A 31 -7.943 -8.374 -0.901 1.00 0.00 O ATOM 503 CB GLN A 31 -8.804 -11.600 -0.664 1.00 0.00 C ATOM 504 CG GLN A 31 -10.134 -10.923 -0.962 1.00 0.00 C ATOM 505 CD GLN A 31 -11.319 -11.795 -0.616 1.00 0.00 C ATOM 506 OE1 GLN A 31 -11.252 -13.022 -0.694 1.00 0.00 O ATOM 507 NE2 GLN A 31 -12.396 -11.183 -0.193 1.00 0.00 N ATOM 0 H GLN A 31 -6.522 -12.338 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.512 -10.577 -2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.741 -12.521 -1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.781 -11.882 0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.197 -9.991 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.176 -10.662 -2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.417 -10.165 -0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.215 -11.725 0.085 1.00 0.00 H new ATOM 516 N ARG A 32 -7.515 -9.430 1.045 1.00 0.00 N ATOM 517 CA ARG A 32 -7.607 -8.240 1.870 1.00 0.00 C ATOM 518 C ARG A 32 -6.563 -7.216 1.459 1.00 0.00 C ATOM 519 O ARG A 32 -6.869 -6.036 1.342 1.00 0.00 O ATOM 520 CB ARG A 32 -7.474 -8.581 3.351 1.00 0.00 C ATOM 521 CG ARG A 32 -8.546 -9.526 3.865 1.00 0.00 C ATOM 522 CD ARG A 32 -8.427 -9.765 5.361 1.00 0.00 C ATOM 523 NE ARG A 32 -7.103 -10.277 5.759 1.00 0.00 N ATOM 524 CZ ARG A 32 -6.895 -11.223 6.692 1.00 0.00 C ATOM 525 NH1 ARG A 32 -7.919 -11.916 7.196 1.00 0.00 N ATOM 526 NH2 ARG A 32 -5.660 -11.501 7.088 1.00 0.00 N ATOM 0 H ARG A 32 -7.291 -10.279 1.564 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.594 -7.805 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.496 -9.029 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.509 -7.658 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.530 -9.114 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.472 -10.478 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.623 -8.832 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.193 -10.475 5.672 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.285 -9.885 5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.869 -11.730 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.752 -12.632 7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.870 -10.998 6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.501 -12.218 7.796 1.00 0.00 H new ATOM 540 N CYS A 33 -5.349 -7.679 1.181 1.00 0.00 N ATOM 541 CA CYS A 33 -4.281 -6.790 0.719 1.00 0.00 C ATOM 542 C CYS A 33 -4.653 -6.158 -0.622 1.00 0.00 C ATOM 543 O CYS A 33 -4.396 -4.974 -0.865 1.00 0.00 O ATOM 544 CB CYS A 33 -2.954 -7.537 0.595 1.00 0.00 C ATOM 545 SG CYS A 33 -2.329 -8.224 2.157 1.00 0.00 S ATOM 0 H CYS A 33 -5.078 -8.659 1.266 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.161 -6.002 1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.074 -8.349 -0.122 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.206 -6.858 0.186 1.00 0.00 H new ATOM 550 N GLN A 34 -5.285 -6.945 -1.478 1.00 0.00 N ATOM 551 CA GLN A 34 -5.738 -6.473 -2.771 1.00 0.00 C ATOM 552 C GLN A 34 -6.838 -5.422 -2.621 1.00 0.00 C ATOM 553 O GLN A 34 -6.937 -4.489 -3.428 1.00 0.00 O ATOM 554 CB GLN A 34 -6.189 -7.651 -3.630 1.00 0.00 C ATOM 555 CG GLN A 34 -5.030 -8.522 -4.098 1.00 0.00 C ATOM 556 CD GLN A 34 -5.472 -9.799 -4.781 1.00 0.00 C ATOM 557 OE1 GLN A 34 -5.630 -10.834 -4.141 1.00 0.00 O ATOM 558 NE2 GLN A 34 -5.669 -9.747 -6.063 1.00 0.00 N ATOM 0 H GLN A 34 -5.497 -7.926 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.905 -5.987 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.889 -8.262 -3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.728 -7.275 -4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.409 -7.948 -4.785 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.407 -8.775 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.529 -8.870 -6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.964 -10.583 -6.568 1.00 0.00 H new ATOM 567 N GLN A 35 -7.643 -5.559 -1.586 1.00 0.00 N ATOM 568 CA GLN A 35 -8.674 -4.571 -1.301 1.00 0.00 C ATOM 569 C GLN A 35 -8.016 -3.307 -0.746 1.00 0.00 C ATOM 570 O GLN A 35 -8.384 -2.195 -1.113 1.00 0.00 O ATOM 571 CB GLN A 35 -9.712 -5.102 -0.310 1.00 0.00 C ATOM 572 CG GLN A 35 -10.350 -6.432 -0.691 1.00 0.00 C ATOM 573 CD GLN A 35 -10.975 -6.458 -2.076 1.00 0.00 C ATOM 574 OE1 GLN A 35 -12.152 -6.132 -2.247 1.00 0.00 O ATOM 575 NE2 GLN A 35 -10.228 -6.898 -3.052 1.00 0.00 N ATOM 0 H GLN A 35 -7.607 -6.339 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.198 -4.344 -2.229 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.238 -5.211 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.500 -4.357 -0.200 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.592 -7.214 -0.634 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.117 -6.677 0.044 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.258 -7.159 -2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.614 -6.981 -3.992 1.00 0.00 H new ATOM 584 N GLU A 36 -7.015 -3.502 0.121 1.00 0.00 N ATOM 585 CA GLU A 36 -6.207 -2.411 0.688 1.00 0.00 C ATOM 586 C GLU A 36 -5.631 -1.538 -0.403 1.00 0.00 C ATOM 587 O GLU A 36 -5.661 -0.308 -0.304 1.00 0.00 O ATOM 588 CB GLU A 36 -5.074 -2.972 1.534 1.00 0.00 C ATOM 589 CG GLU A 36 -5.507 -3.498 2.878 1.00 0.00 C ATOM 590 CD GLU A 36 -5.948 -2.393 3.797 1.00 0.00 C ATOM 591 OE1 GLU A 36 -5.110 -1.893 4.579 1.00 0.00 O ATOM 592 OE2 GLU A 36 -7.119 -1.999 3.765 1.00 0.00 O ATOM 0 H GLU A 36 -6.740 -4.427 0.452 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.862 -1.806 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.587 -3.776 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.328 -2.192 1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.324 -4.207 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.683 -4.044 3.337 1.00 0.00 H new ATOM 599 N TYR A 37 -5.124 -2.183 -1.440 1.00 0.00 N ATOM 600 CA TYR A 37 -4.596 -1.502 -2.611 1.00 0.00 C ATOM 601 C TYR A 37 -5.654 -0.592 -3.239 1.00 0.00 C ATOM 602 O TYR A 37 -5.388 0.569 -3.518 1.00 0.00 O ATOM 603 CB TYR A 37 -4.067 -2.520 -3.640 1.00 0.00 C ATOM 604 CG TYR A 37 -3.657 -1.905 -4.966 1.00 0.00 C ATOM 605 CD1 TYR A 37 -4.416 -2.117 -6.112 1.00 0.00 C ATOM 606 CD2 TYR A 37 -2.537 -1.091 -5.066 1.00 0.00 C ATOM 607 CE1 TYR A 37 -4.073 -1.539 -7.314 1.00 0.00 C ATOM 608 CE2 TYR A 37 -2.184 -0.513 -6.270 1.00 0.00 C ATOM 609 CZ TYR A 37 -2.956 -0.738 -7.389 1.00 0.00 C ATOM 610 OH TYR A 37 -2.623 -0.141 -8.588 1.00 0.00 O ATOM 0 H TYR A 37 -5.067 -3.200 -1.494 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.763 -0.876 -2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.210 -3.040 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.837 -3.270 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.291 -2.747 -6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.933 -0.907 -4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.677 -1.713 -8.192 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.306 0.113 -6.334 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.809 0.392 -8.473 1.00 0.00 H new