USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 405 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 32 THR OG1 : rot -81:sc= 0.729 USER MOD Set 1.2: A 61 TYR OH : rot 153:sc= 1.13 USER MOD Set 2.1: A 18 TYR OH : rot 30:sc= 0.562 USER MOD Set 2.2: A 43 TYR OH : rot -177:sc= 0.627 USER MOD Set 3.1: A 36 TYR OH : rot 180:sc= 0.452 USER MOD Set 3.2: A 41 GLN : amide:sc= 0.291 X(o=0.74,f=0.32) USER MOD Set 4.1: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -113:sc= 1.2 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0715 USER MOD Single : A 31 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.076) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc=-0.00495 K(o=-0.0049,f=-0.93) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0026 USER MOD Single : A 45 ASN : amide:sc= -0.763 K(o=-0.76,f=-3.3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0374 K(o=-0.037,f=-0.66) USER MOD Single : A 50 GLN : amide:sc= 0.328 K(o=0.33,f=-0.32) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 12.579 8.381 1.368 1.00 0.00 N ATOM 135 CA TYR A 10 13.120 7.146 0.814 1.00 0.00 C ATOM 136 C TYR A 10 13.544 7.384 -0.643 1.00 0.00 C ATOM 137 O TYR A 10 13.117 8.383 -1.243 1.00 0.00 O ATOM 138 CB TYR A 10 12.041 6.055 0.899 1.00 0.00 C ATOM 139 CG TYR A 10 11.872 5.500 2.296 1.00 0.00 C ATOM 140 CD1 TYR A 10 10.997 6.131 3.197 1.00 0.00 C ATOM 141 CD2 TYR A 10 12.627 4.386 2.708 1.00 0.00 C ATOM 142 CE1 TYR A 10 10.883 5.661 4.514 1.00 0.00 C ATOM 143 CE2 TYR A 10 12.548 3.930 4.036 1.00 0.00 C ATOM 144 CZ TYR A 10 11.680 4.577 4.944 1.00 0.00 C ATOM 145 OH TYR A 10 11.602 4.160 6.233 1.00 0.00 O ATOM 0 HA TYR A 10 13.996 6.825 1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.090 6.465 0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 10 12.299 5.243 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.411 6.979 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.269 3.880 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.188 6.127 5.197 1.00 0.00 H new ATOM 0 HE2 TYR A 10 13.147 3.091 4.360 1.00 0.00 H new ATOM 0 HH TYR A 10 12.211 3.405 6.370 1.00 0.00 H new ATOM 155 N PRO A 11 14.343 6.468 -1.222 1.00 0.00 N ATOM 156 CA PRO A 11 14.506 6.334 -2.666 1.00 0.00 C ATOM 157 C PRO A 11 13.195 5.835 -3.296 1.00 0.00 C ATOM 158 O PRO A 11 12.183 5.690 -2.613 1.00 0.00 O ATOM 159 CB PRO A 11 15.648 5.324 -2.835 1.00 0.00 C ATOM 160 CG PRO A 11 15.439 4.397 -1.642 1.00 0.00 C ATOM 161 CD PRO A 11 15.043 5.378 -0.546 1.00 0.00 C ATOM 0 HA PRO A 11 14.738 7.276 -3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.581 4.789 -3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.625 5.806 -2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.659 3.659 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.345 3.846 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.401 4.900 0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.921 5.747 -0.015 1.00 0.00 H new ATOM 169 N VAL A 12 13.204 5.568 -4.601 1.00 0.00 N ATOM 170 CA VAL A 12 12.037 5.208 -5.392 1.00 0.00 C ATOM 171 C VAL A 12 12.250 3.777 -5.922 1.00 0.00 C ATOM 172 O VAL A 12 12.854 3.610 -6.989 1.00 0.00 O ATOM 173 CB VAL A 12 11.758 6.290 -6.456 1.00 0.00 C ATOM 174 CG1 VAL A 12 10.410 6.041 -7.139 1.00 0.00 C ATOM 175 CG2 VAL A 12 11.699 7.700 -5.836 1.00 0.00 C ATOM 0 H VAL A 12 14.060 5.599 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 12 11.121 5.184 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 12 12.577 6.233 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.232 6.815 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.423 5.065 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.615 6.066 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.501 8.433 -6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.903 7.738 -5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.652 7.928 -5.358 1.00 0.00 H new ATOM 185 N PRO A 13 11.892 2.737 -5.145 1.00 0.00 N ATOM 186 CA PRO A 13 12.080 1.326 -5.499 1.00 0.00 C ATOM 187 C PRO A 13 11.095 0.879 -6.580 1.00 0.00 C ATOM 188 O PRO A 13 10.180 1.621 -6.939 1.00 0.00 O ATOM 189 CB PRO A 13 11.824 0.562 -4.196 1.00 0.00 C ATOM 190 CG PRO A 13 10.718 1.410 -3.577 1.00 0.00 C ATOM 191 CD PRO A 13 11.182 2.824 -3.877 1.00 0.00 C ATOM 0 HA PRO A 13 13.075 1.145 -5.907 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.505 -0.465 -4.375 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.711 0.515 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.746 1.198 -4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.622 1.233 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 13 10.337 3.509 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.833 3.200 -3.087 1.00 0.00 H new ATOM 199 N ASP A 14 11.244 -0.357 -7.055 1.00 0.00 N ATOM 200 CA ASP A 14 10.492 -0.945 -8.140 1.00 0.00 C ATOM 201 C ASP A 14 10.207 -2.419 -7.868 1.00 0.00 C ATOM 202 O ASP A 14 11.108 -3.192 -7.555 1.00 0.00 O ATOM 203 CB ASP A 14 11.280 -0.829 -9.444 1.00 0.00 C ATOM 204 CG ASP A 14 12.799 -0.676 -9.410 1.00 0.00 C ATOM 205 OD1 ASP A 14 13.484 -1.252 -8.532 1.00 0.00 O ATOM 206 OD2 ASP A 14 13.295 -0.007 -10.349 1.00 0.00 O ATOM 0 H ASP A 14 11.932 -1.002 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 14 9.547 -0.408 -8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.057 -1.716 -10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.881 0.027 -9.988 1.00 0.00 H new ATOM 211 N VAL A 15 8.958 -2.853 -8.044 1.00 0.00 N ATOM 212 CA VAL A 15 8.572 -4.245 -7.823 1.00 0.00 C ATOM 213 C VAL A 15 9.270 -5.211 -8.792 1.00 0.00 C ATOM 214 O VAL A 15 9.476 -6.377 -8.439 1.00 0.00 O ATOM 215 CB VAL A 15 7.032 -4.372 -7.811 1.00 0.00 C ATOM 216 CG1 VAL A 15 6.366 -3.884 -9.106 1.00 0.00 C ATOM 217 CG2 VAL A 15 6.553 -5.794 -7.499 1.00 0.00 C ATOM 0 H VAL A 15 8.190 -2.252 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 15 8.925 -4.552 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 15 6.719 -3.712 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.285 -4.003 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.605 -2.832 -9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.734 -4.470 -9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.463 -5.820 -7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.936 -6.481 -8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.918 -6.094 -6.517 1.00 0.00 H new ATOM 227 N SER A 16 9.680 -4.778 -9.993 1.00 0.00 N ATOM 228 CA SER A 16 10.369 -5.685 -10.914 1.00 0.00 C ATOM 229 C SER A 16 11.802 -6.039 -10.473 1.00 0.00 C ATOM 230 O SER A 16 12.453 -6.828 -11.165 1.00 0.00 O ATOM 231 CB SER A 16 10.269 -5.210 -12.366 1.00 0.00 C ATOM 232 OG SER A 16 10.893 -3.967 -12.597 1.00 0.00 O ATOM 0 H SER A 16 9.550 -3.828 -10.341 1.00 0.00 H new ATOM 0 HA SER A 16 9.834 -6.634 -10.869 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.719 -5.960 -13.017 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.218 -5.137 -12.644 1.00 0.00 H new ATOM 0 HG SER A 16 10.795 -3.722 -13.541 1.00 0.00 H new ATOM 238 N THR A 17 12.272 -5.522 -9.328 1.00 0.00 N ATOM 239 CA THR A 17 13.536 -5.899 -8.711 1.00 0.00 C ATOM 240 C THR A 17 13.328 -6.671 -7.391 1.00 0.00 C ATOM 241 O THR A 17 14.304 -7.029 -6.734 1.00 0.00 O ATOM 242 CB THR A 17 14.437 -4.656 -8.550 1.00 0.00 C ATOM 243 OG1 THR A 17 13.929 -3.766 -7.576 1.00 0.00 O ATOM 244 CG2 THR A 17 14.641 -3.895 -9.870 1.00 0.00 C ATOM 0 H THR A 17 11.765 -4.813 -8.798 1.00 0.00 H new ATOM 0 HA THR A 17 14.053 -6.595 -9.372 1.00 0.00 H new ATOM 0 HB THR A 17 15.404 -5.037 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.643 -2.935 -8.010 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.282 -3.031 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.110 -4.554 -10.601 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.676 -3.560 -10.250 1.00 0.00 H new ATOM 252 N TYR A 18 12.082 -6.942 -6.976 1.00 0.00 N ATOM 253 CA TYR A 18 11.751 -7.646 -5.728 1.00 0.00 C ATOM 254 C TYR A 18 12.147 -9.129 -5.785 1.00 0.00 C ATOM 255 O TYR A 18 12.520 -9.636 -6.845 1.00 0.00 O ATOM 256 CB TYR A 18 10.268 -7.400 -5.395 1.00 0.00 C ATOM 257 CG TYR A 18 9.914 -6.012 -4.894 1.00 0.00 C ATOM 258 CD1 TYR A 18 10.865 -4.980 -4.832 1.00 0.00 C ATOM 259 CD2 TYR A 18 8.609 -5.771 -4.438 1.00 0.00 C ATOM 260 CE1 TYR A 18 10.496 -3.699 -4.397 1.00 0.00 C ATOM 261 CE2 TYR A 18 8.222 -4.488 -4.013 1.00 0.00 C ATOM 262 CZ TYR A 18 9.173 -3.445 -3.987 1.00 0.00 C ATOM 263 OH TYR A 18 8.834 -2.212 -3.529 1.00 0.00 O ATOM 0 H TYR A 18 11.257 -6.671 -7.511 1.00 0.00 H new ATOM 0 HA TYR A 18 12.342 -7.244 -4.905 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.678 -7.602 -6.289 1.00 0.00 H new ATOM 0 HB3 TYR A 18 9.962 -8.125 -4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 18 11.887 -5.174 -5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.894 -6.580 -4.413 1.00 0.00 H new ATOM 0 HE1 TYR A 18 11.228 -2.905 -4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.203 -4.301 -3.708 1.00 0.00 H new ATOM 0 HH TYR A 18 9.396 -1.536 -3.962 1.00 0.00 H new ATOM 273 N GLN A 19 12.041 -9.846 -4.658 1.00 0.00 N ATOM 274 CA GLN A 19 12.357 -11.284 -4.534 1.00 0.00 C ATOM 275 C GLN A 19 11.157 -12.176 -4.178 1.00 0.00 C ATOM 276 O GLN A 19 10.678 -12.119 -3.047 1.00 0.00 O ATOM 277 CB GLN A 19 13.436 -11.466 -3.459 1.00 0.00 C ATOM 278 CG GLN A 19 14.820 -10.972 -3.872 1.00 0.00 C ATOM 279 CD GLN A 19 15.830 -12.105 -4.001 1.00 0.00 C ATOM 280 OE1 GLN A 19 15.824 -12.855 -4.977 1.00 0.00 O ATOM 281 NE2 GLN A 19 16.722 -12.236 -3.036 1.00 0.00 N ATOM 0 H GLN A 19 11.725 -9.434 -3.780 1.00 0.00 H new ATOM 0 HA GLN A 19 12.695 -11.603 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.128 -10.937 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 19 13.502 -12.523 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.745 -10.446 -4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.179 -10.251 -3.137 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.706 -11.602 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.427 -12.971 -3.089 1.00 0.00 H new ATOM 290 N TYR A 20 10.579 -12.887 -5.155 1.00 0.00 N ATOM 291 CA TYR A 20 9.381 -13.691 -4.946 1.00 0.00 C ATOM 292 C TYR A 20 9.633 -14.832 -3.958 1.00 0.00 C ATOM 293 O TYR A 20 10.724 -15.408 -3.957 1.00 0.00 O ATOM 294 CB TYR A 20 8.957 -14.238 -6.310 1.00 0.00 C ATOM 295 CG TYR A 20 7.652 -14.997 -6.309 1.00 0.00 C ATOM 296 CD1 TYR A 20 6.466 -14.316 -5.994 1.00 0.00 C ATOM 297 CD2 TYR A 20 7.614 -16.363 -6.643 1.00 0.00 C ATOM 298 CE1 TYR A 20 5.231 -14.972 -6.074 1.00 0.00 C ATOM 299 CE2 TYR A 20 6.380 -17.035 -6.705 1.00 0.00 C ATOM 300 CZ TYR A 20 5.182 -16.334 -6.441 1.00 0.00 C ATOM 301 OH TYR A 20 3.974 -16.949 -6.540 1.00 0.00 O ATOM 0 H TYR A 20 10.934 -12.917 -6.111 1.00 0.00 H new ATOM 0 HA TYR A 20 8.592 -13.077 -4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.877 -13.407 -7.010 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.743 -14.895 -6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.506 -13.281 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.531 -16.895 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.319 -14.437 -5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.348 -18.085 -6.954 1.00 0.00 H new ATOM 0 HH TYR A 20 4.104 -17.884 -6.802 1.00 0.00 H new ATOM 311 N ASP A 21 8.613 -15.217 -3.182 1.00 0.00 N ATOM 312 CA ASP A 21 8.696 -16.342 -2.240 1.00 0.00 C ATOM 313 C ASP A 21 7.586 -17.338 -2.530 1.00 0.00 C ATOM 314 O ASP A 21 6.512 -17.288 -1.932 1.00 0.00 O ATOM 315 CB ASP A 21 8.670 -15.895 -0.764 1.00 0.00 C ATOM 316 CG ASP A 21 9.533 -16.772 0.151 1.00 0.00 C ATOM 317 OD1 ASP A 21 10.185 -17.730 -0.327 1.00 0.00 O ATOM 318 OD2 ASP A 21 9.549 -16.509 1.374 1.00 0.00 O ATOM 0 H ASP A 21 7.703 -14.756 -3.189 1.00 0.00 H new ATOM 0 HA ASP A 21 9.663 -16.823 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.015 -14.863 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.641 -15.910 -0.405 1.00 0.00 H new ATOM 323 N GLU A 22 7.815 -18.240 -3.477 1.00 0.00 N ATOM 324 CA GLU A 22 6.807 -19.166 -3.995 1.00 0.00 C ATOM 325 C GLU A 22 6.190 -20.106 -2.954 1.00 0.00 C ATOM 326 O GLU A 22 5.116 -20.656 -3.186 1.00 0.00 O ATOM 327 CB GLU A 22 7.391 -20.013 -5.119 1.00 0.00 C ATOM 328 CG GLU A 22 8.771 -20.632 -4.938 1.00 0.00 C ATOM 329 CD GLU A 22 8.689 -22.158 -4.935 1.00 0.00 C ATOM 330 OE1 GLU A 22 8.187 -22.750 -5.917 1.00 0.00 O ATOM 331 OE2 GLU A 22 9.057 -22.788 -3.917 1.00 0.00 O ATOM 0 H GLU A 22 8.728 -18.353 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 22 6.003 -18.521 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.690 -20.824 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.424 -19.393 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.430 -20.301 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.209 -20.286 -4.002 1.00 0.00 H new ATOM 338 N THR A 23 6.849 -20.300 -1.816 1.00 0.00 N ATOM 339 CA THR A 23 6.242 -20.927 -0.643 1.00 0.00 C ATOM 340 C THR A 23 4.887 -20.276 -0.332 1.00 0.00 C ATOM 341 O THR A 23 3.914 -21.012 -0.134 1.00 0.00 O ATOM 342 CB THR A 23 7.219 -20.946 0.552 1.00 0.00 C ATOM 343 OG1 THR A 23 6.618 -21.496 1.708 1.00 0.00 O ATOM 344 CG2 THR A 23 7.774 -19.566 0.893 1.00 0.00 C ATOM 0 H THR A 23 7.822 -20.027 -1.679 1.00 0.00 H new ATOM 0 HA THR A 23 6.036 -21.975 -0.860 1.00 0.00 H new ATOM 0 HB THR A 23 8.049 -21.577 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.264 -21.494 2.445 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.454 -19.647 1.741 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.312 -19.168 0.033 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.953 -18.897 1.149 1.00 0.00 H new ATOM 352 N SER A 24 4.793 -18.937 -0.318 1.00 0.00 N ATOM 353 CA SER A 24 3.577 -18.271 0.148 1.00 0.00 C ATOM 354 C SER A 24 3.040 -17.200 -0.810 1.00 0.00 C ATOM 355 O SER A 24 1.899 -16.767 -0.635 1.00 0.00 O ATOM 356 CB SER A 24 3.809 -17.781 1.579 1.00 0.00 C ATOM 357 OG SER A 24 3.932 -18.899 2.448 1.00 0.00 O ATOM 0 H SER A 24 5.535 -18.306 -0.620 1.00 0.00 H new ATOM 0 HA SER A 24 2.763 -18.995 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.711 -17.171 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.980 -17.149 1.897 1.00 0.00 H new ATOM 0 HG SER A 24 4.082 -18.586 3.364 1.00 0.00 H new ATOM 363 N GLY A 25 3.777 -16.846 -1.868 1.00 0.00 N ATOM 364 CA GLY A 25 3.208 -16.266 -3.081 1.00 0.00 C ATOM 365 C GLY A 25 3.272 -14.742 -3.136 1.00 0.00 C ATOM 366 O GLY A 25 2.563 -14.133 -3.936 1.00 0.00 O ATOM 0 H GLY A 25 4.790 -16.956 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.734 -16.672 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.167 -16.578 -3.166 1.00 0.00 H new ATOM 370 N TYR A 26 4.069 -14.112 -2.274 1.00 0.00 N ATOM 371 CA TYR A 26 4.175 -12.656 -2.177 1.00 0.00 C ATOM 372 C TYR A 26 5.550 -12.221 -2.687 1.00 0.00 C ATOM 373 O TYR A 26 6.412 -13.069 -2.937 1.00 0.00 O ATOM 374 CB TYR A 26 3.917 -12.220 -0.729 1.00 0.00 C ATOM 375 CG TYR A 26 2.444 -12.184 -0.356 1.00 0.00 C ATOM 376 CD1 TYR A 26 1.698 -13.377 -0.311 1.00 0.00 C ATOM 377 CD2 TYR A 26 1.798 -10.957 -0.111 1.00 0.00 C ATOM 378 CE1 TYR A 26 0.336 -13.364 0.021 1.00 0.00 C ATOM 379 CE2 TYR A 26 0.427 -10.929 0.203 1.00 0.00 C ATOM 380 CZ TYR A 26 -0.305 -12.134 0.279 1.00 0.00 C ATOM 381 OH TYR A 26 -1.621 -12.112 0.626 1.00 0.00 O ATOM 0 H TYR A 26 4.669 -14.606 -1.613 1.00 0.00 H new ATOM 0 HA TYR A 26 3.423 -12.169 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.437 -12.901 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.346 -11.230 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.182 -14.316 -0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.357 -10.034 -0.164 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.219 -14.289 0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.066 -9.986 0.386 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.906 -11.185 0.769 1.00 0.00 H new ATOM 391 N TYR A 27 5.753 -10.909 -2.829 1.00 0.00 N ATOM 392 CA TYR A 27 6.959 -10.313 -3.391 1.00 0.00 C ATOM 393 C TYR A 27 7.687 -9.549 -2.285 1.00 0.00 C ATOM 394 O TYR A 27 7.087 -8.672 -1.667 1.00 0.00 O ATOM 395 CB TYR A 27 6.604 -9.399 -4.588 1.00 0.00 C ATOM 396 CG TYR A 27 6.267 -10.164 -5.869 1.00 0.00 C ATOM 397 CD1 TYR A 27 5.045 -10.854 -6.000 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.218 -10.276 -6.902 1.00 0.00 C ATOM 399 CE1 TYR A 27 4.779 -11.635 -7.146 1.00 0.00 C ATOM 400 CE2 TYR A 27 7.025 -11.162 -7.969 1.00 0.00 C ATOM 401 CZ TYR A 27 5.786 -11.818 -8.125 1.00 0.00 C ATOM 402 OH TYR A 27 5.574 -12.578 -9.235 1.00 0.00 O ATOM 0 H TYR A 27 5.060 -10.215 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 27 7.621 -11.090 -3.773 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.755 -8.773 -4.316 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.443 -8.731 -4.785 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.305 -10.785 -5.216 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.111 -9.669 -6.871 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.809 -12.092 -7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.824 -11.343 -8.672 1.00 0.00 H new ATOM 0 HH TYR A 27 6.383 -12.582 -9.788 1.00 0.00 H new ATOM 412 N TYR A 28 8.942 -9.883 -1.990 1.00 0.00 N ATOM 413 CA TYR A 28 9.735 -9.269 -0.919 1.00 0.00 C ATOM 414 C TYR A 28 10.531 -8.074 -1.452 1.00 0.00 C ATOM 415 O TYR A 28 11.102 -8.168 -2.537 1.00 0.00 O ATOM 416 CB TYR A 28 10.696 -10.319 -0.355 1.00 0.00 C ATOM 417 CG TYR A 28 11.585 -9.838 0.770 1.00 0.00 C ATOM 418 CD1 TYR A 28 11.025 -9.510 2.015 1.00 0.00 C ATOM 419 CD2 TYR A 28 12.976 -9.747 0.583 1.00 0.00 C ATOM 420 CE1 TYR A 28 11.857 -9.175 3.094 1.00 0.00 C ATOM 421 CE2 TYR A 28 13.815 -9.387 1.649 1.00 0.00 C ATOM 422 CZ TYR A 28 13.255 -9.125 2.918 1.00 0.00 C ATOM 423 OH TYR A 28 14.054 -8.804 3.970 1.00 0.00 O ATOM 0 H TYR A 28 9.451 -10.605 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 28 9.066 -8.912 -0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.113 -11.168 0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.327 -10.684 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.953 -9.516 2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 28 13.401 -9.956 -0.388 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.426 -8.955 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.882 -9.311 1.499 1.00 0.00 H new ATOM 0 HH TYR A 28 14.991 -8.814 3.684 1.00 0.00 H new ATOM 433 N ASP A 29 10.599 -6.974 -0.700 1.00 0.00 N ATOM 434 CA ASP A 29 11.320 -5.735 -1.034 1.00 0.00 C ATOM 435 C ASP A 29 12.685 -5.665 -0.350 1.00 0.00 C ATOM 436 O ASP A 29 12.767 -5.104 0.745 1.00 0.00 O ATOM 437 CB ASP A 29 10.543 -4.451 -0.710 1.00 0.00 C ATOM 438 CG ASP A 29 11.358 -3.188 -1.051 1.00 0.00 C ATOM 439 OD1 ASP A 29 12.256 -3.279 -1.924 1.00 0.00 O ATOM 440 OD2 ASP A 29 11.098 -2.118 -0.447 1.00 0.00 O ATOM 0 H ASP A 29 10.131 -6.916 0.204 1.00 0.00 H new ATOM 0 HA ASP A 29 11.446 -5.784 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.607 -4.442 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.283 -4.441 0.348 1.00 0.00 H new ATOM 445 N PRO A 30 13.766 -6.213 -0.919 1.00 0.00 N ATOM 446 CA PRO A 30 15.092 -6.134 -0.316 1.00 0.00 C ATOM 447 C PRO A 30 15.617 -4.704 -0.137 1.00 0.00 C ATOM 448 O PRO A 30 16.618 -4.514 0.561 1.00 0.00 O ATOM 449 CB PRO A 30 16.014 -6.923 -1.240 1.00 0.00 C ATOM 450 CG PRO A 30 15.306 -6.898 -2.592 1.00 0.00 C ATOM 451 CD PRO A 30 13.829 -6.836 -2.227 1.00 0.00 C ATOM 0 HA PRO A 30 15.050 -6.538 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 30 17.002 -6.467 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 30 16.155 -7.943 -0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.608 -6.035 -3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.536 -7.786 -3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.269 -6.257 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.390 -7.834 -2.206 1.00 0.00 H new ATOM 459 N GLN A 31 14.986 -3.687 -0.731 1.00 0.00 N ATOM 460 CA GLN A 31 15.377 -2.306 -0.478 1.00 0.00 C ATOM 461 C GLN A 31 15.134 -1.953 0.997 1.00 0.00 C ATOM 462 O GLN A 31 15.872 -1.136 1.544 1.00 0.00 O ATOM 463 CB GLN A 31 14.628 -1.326 -1.406 1.00 0.00 C ATOM 464 CG GLN A 31 15.467 -0.136 -1.898 1.00 0.00 C ATOM 465 CD GLN A 31 16.046 0.759 -0.803 1.00 0.00 C ATOM 466 OE1 GLN A 31 15.344 1.493 -0.109 1.00 0.00 O ATOM 467 NE2 GLN A 31 17.359 0.747 -0.646 1.00 0.00 N ATOM 0 H GLN A 31 14.210 -3.797 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 31 16.441 -2.209 -0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.261 -1.877 -2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.755 -0.943 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.289 -0.519 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.848 0.476 -2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.936 0.136 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.795 1.348 0.053 1.00 0.00 H new ATOM 476 N THR A 32 14.148 -2.572 1.655 1.00 0.00 N ATOM 477 CA THR A 32 13.753 -2.223 3.016 1.00 0.00 C ATOM 478 C THR A 32 13.569 -3.449 3.914 1.00 0.00 C ATOM 479 O THR A 32 14.031 -3.442 5.059 1.00 0.00 O ATOM 480 CB THR A 32 12.474 -1.377 2.967 1.00 0.00 C ATOM 481 OG1 THR A 32 11.455 -2.021 2.215 1.00 0.00 O ATOM 482 CG2 THR A 32 12.744 0.043 2.449 1.00 0.00 C ATOM 0 H THR A 32 13.601 -3.333 1.252 1.00 0.00 H new ATOM 0 HA THR A 32 14.562 -1.645 3.463 1.00 0.00 H new ATOM 0 HB THR A 32 12.115 -1.279 3.992 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.607 -1.866 1.259 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.811 0.607 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.456 0.541 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.156 -0.010 1.441 1.00 0.00 H new ATOM 490 N GLY A 33 12.940 -4.507 3.401 1.00 0.00 N ATOM 491 CA GLY A 33 12.665 -5.754 4.104 1.00 0.00 C ATOM 492 C GLY A 33 11.164 -5.981 4.322 1.00 0.00 C ATOM 493 O GLY A 33 10.760 -6.730 5.220 1.00 0.00 O ATOM 0 H GLY A 33 12.594 -4.515 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.077 -6.588 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.172 -5.744 5.069 1.00 0.00 H new ATOM 497 N LEU A 34 10.330 -5.290 3.543 1.00 0.00 N ATOM 498 CA LEU A 34 8.871 -5.359 3.557 1.00 0.00 C ATOM 499 C LEU A 34 8.401 -6.391 2.519 1.00 0.00 C ATOM 500 O LEU A 34 9.219 -6.924 1.770 1.00 0.00 O ATOM 501 CB LEU A 34 8.323 -3.955 3.232 1.00 0.00 C ATOM 502 CG LEU A 34 8.730 -2.868 4.261 1.00 0.00 C ATOM 503 CD1 LEU A 34 8.620 -1.455 3.669 1.00 0.00 C ATOM 504 CD2 LEU A 34 7.864 -2.972 5.518 1.00 0.00 C ATOM 0 H LEU A 34 10.676 -4.630 2.846 1.00 0.00 H new ATOM 0 HA LEU A 34 8.503 -5.672 4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.676 -3.657 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.235 -4.003 3.180 1.00 0.00 H new ATOM 0 HG LEU A 34 9.773 -3.043 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.913 -0.722 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.277 -1.371 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.591 -1.268 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.162 -2.202 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.816 -2.833 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.995 -3.955 5.970 1.00 0.00 H new ATOM 516 N TYR A 35 7.095 -6.650 2.440 1.00 0.00 N ATOM 517 CA TYR A 35 6.472 -7.490 1.413 1.00 0.00 C ATOM 518 C TYR A 35 5.412 -6.700 0.641 1.00 0.00 C ATOM 519 O TYR A 35 4.987 -5.644 1.106 1.00 0.00 O ATOM 520 CB TYR A 35 5.848 -8.730 2.062 1.00 0.00 C ATOM 521 CG TYR A 35 6.858 -9.791 2.432 1.00 0.00 C ATOM 522 CD1 TYR A 35 7.537 -9.743 3.663 1.00 0.00 C ATOM 523 CD2 TYR A 35 7.118 -10.837 1.531 1.00 0.00 C ATOM 524 CE1 TYR A 35 8.468 -10.743 4.001 1.00 0.00 C ATOM 525 CE2 TYR A 35 8.032 -11.849 1.865 1.00 0.00 C ATOM 526 CZ TYR A 35 8.714 -11.810 3.104 1.00 0.00 C ATOM 527 OH TYR A 35 9.575 -12.813 3.438 1.00 0.00 O ATOM 0 H TYR A 35 6.422 -6.271 3.106 1.00 0.00 H new ATOM 0 HA TYR A 35 7.240 -7.808 0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.306 -8.427 2.958 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.117 -9.159 1.377 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.343 -8.935 4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.612 -10.863 0.577 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.994 -10.696 4.943 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.215 -12.659 1.175 1.00 0.00 H new ATOM 0 HH TYR A 35 9.622 -13.461 2.705 1.00 0.00 H new ATOM 537 N TYR A 36 4.980 -7.229 -0.504 1.00 0.00 N ATOM 538 CA TYR A 36 4.049 -6.674 -1.481 1.00 0.00 C ATOM 539 C TYR A 36 3.274 -7.830 -2.125 1.00 0.00 C ATOM 540 O TYR A 36 3.759 -8.970 -2.151 1.00 0.00 O ATOM 541 CB TYR A 36 4.875 -5.928 -2.546 1.00 0.00 C ATOM 542 CG TYR A 36 4.108 -5.342 -3.717 1.00 0.00 C ATOM 543 CD1 TYR A 36 3.534 -4.064 -3.604 1.00 0.00 C ATOM 544 CD2 TYR A 36 3.988 -6.061 -4.924 1.00 0.00 C ATOM 545 CE1 TYR A 36 2.868 -3.489 -4.699 1.00 0.00 C ATOM 546 CE2 TYR A 36 3.283 -5.507 -6.008 1.00 0.00 C ATOM 547 CZ TYR A 36 2.729 -4.216 -5.902 1.00 0.00 C ATOM 548 OH TYR A 36 2.062 -3.666 -6.950 1.00 0.00 O ATOM 0 H TYR A 36 5.308 -8.149 -0.797 1.00 0.00 H new ATOM 0 HA TYR A 36 3.343 -5.988 -1.014 1.00 0.00 H new ATOM 0 HB2 TYR A 36 5.414 -5.119 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.623 -6.616 -2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.605 -3.522 -2.672 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.438 -7.038 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.462 -2.491 -4.621 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.166 -6.071 -6.921 1.00 0.00 H new ATOM 0 HH TYR A 36 2.057 -4.295 -7.701 1.00 0.00 H new ATOM 558 N ASP A 37 2.118 -7.547 -2.729 1.00 0.00 N ATOM 559 CA ASP A 37 1.273 -8.528 -3.413 1.00 0.00 C ATOM 560 C ASP A 37 0.955 -7.966 -4.808 1.00 0.00 C ATOM 561 O ASP A 37 0.747 -6.763 -4.954 1.00 0.00 O ATOM 562 CB ASP A 37 -0.002 -8.686 -2.576 1.00 0.00 C ATOM 563 CG ASP A 37 -1.070 -9.665 -3.086 1.00 0.00 C ATOM 564 OD1 ASP A 37 -1.451 -9.596 -4.276 1.00 0.00 O ATOM 565 OD2 ASP A 37 -1.613 -10.426 -2.247 1.00 0.00 O ATOM 0 H ASP A 37 1.733 -6.603 -2.757 1.00 0.00 H new ATOM 0 HA ASP A 37 1.754 -9.500 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.291 -9.000 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.465 -7.704 -2.480 1.00 0.00 H new ATOM 570 N PRO A 38 0.872 -8.796 -5.858 1.00 0.00 N ATOM 571 CA PRO A 38 0.577 -8.325 -7.207 1.00 0.00 C ATOM 572 C PRO A 38 -0.818 -7.694 -7.338 1.00 0.00 C ATOM 573 O PRO A 38 -0.961 -6.637 -7.967 1.00 0.00 O ATOM 574 CB PRO A 38 0.763 -9.549 -8.111 1.00 0.00 C ATOM 575 CG PRO A 38 0.615 -10.741 -7.164 1.00 0.00 C ATOM 576 CD PRO A 38 1.144 -10.221 -5.844 1.00 0.00 C ATOM 0 HA PRO A 38 1.245 -7.512 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.016 -9.575 -8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.740 -9.543 -8.594 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.424 -11.059 -7.081 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.185 -11.602 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.650 -10.708 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.212 -10.417 -5.743 1.00 0.00 H new ATOM 584 N ASN A 39 -1.837 -8.307 -6.732 1.00 0.00 N ATOM 585 CA ASN A 39 -3.191 -7.801 -6.690 1.00 0.00 C ATOM 586 C ASN A 39 -3.275 -6.650 -5.699 1.00 0.00 C ATOM 587 O ASN A 39 -3.936 -5.650 -5.988 1.00 0.00 O ATOM 588 CB ASN A 39 -4.139 -8.915 -6.237 1.00 0.00 C ATOM 589 CG ASN A 39 -4.435 -9.950 -7.314 1.00 0.00 C ATOM 590 OD1 ASN A 39 -4.362 -9.672 -8.507 1.00 0.00 O ATOM 591 ND2 ASN A 39 -4.777 -11.160 -6.915 1.00 0.00 N ATOM 0 H ASN A 39 -1.729 -9.196 -6.245 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.475 -7.454 -7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.706 -9.418 -5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.077 -8.469 -5.908 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.986 -11.884 -7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.832 -11.372 -5.919 1.00 0.00 H new ATOM 598 N SER A 40 -2.639 -6.803 -4.533 1.00 0.00 N ATOM 599 CA SER A 40 -2.773 -5.883 -3.412 1.00 0.00 C ATOM 600 C SER A 40 -1.525 -5.011 -3.330 1.00 0.00 C ATOM 601 O SER A 40 -0.532 -5.384 -2.713 1.00 0.00 O ATOM 602 CB SER A 40 -3.060 -6.621 -2.089 1.00 0.00 C ATOM 603 OG SER A 40 -4.143 -7.529 -2.204 1.00 0.00 O ATOM 0 H SER A 40 -2.009 -7.583 -4.344 1.00 0.00 H new ATOM 0 HA SER A 40 -3.637 -5.241 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.167 -7.162 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.281 -5.892 -1.309 1.00 0.00 H new ATOM 0 HG SER A 40 -4.289 -7.975 -1.344 1.00 0.00 H new ATOM 609 N GLN A 41 -1.597 -3.797 -3.877 1.00 0.00 N ATOM 610 CA GLN A 41 -0.520 -2.821 -3.742 1.00 0.00 C ATOM 611 C GLN A 41 -0.239 -2.505 -2.260 1.00 0.00 C ATOM 612 O GLN A 41 0.805 -1.942 -1.942 1.00 0.00 O ATOM 613 CB GLN A 41 -0.829 -1.549 -4.541 1.00 0.00 C ATOM 614 CG GLN A 41 -0.600 -1.693 -6.047 1.00 0.00 C ATOM 615 CD GLN A 41 -1.468 -2.766 -6.690 1.00 0.00 C ATOM 616 OE1 GLN A 41 -2.675 -2.590 -6.836 1.00 0.00 O ATOM 617 NE2 GLN A 41 -0.889 -3.904 -7.024 1.00 0.00 N ATOM 0 H GLN A 41 -2.395 -3.467 -4.420 1.00 0.00 H new ATOM 0 HA GLN A 41 0.387 -3.259 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.867 -1.265 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.208 -0.736 -4.165 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.799 -0.737 -6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.449 -1.929 -6.227 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.115 -4.023 -6.892 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.446 -4.664 -7.414 1.00 0.00 H new ATOM 626 N TYR A 42 -1.153 -2.863 -1.352 1.00 0.00 N ATOM 627 CA TYR A 42 -0.980 -2.833 0.087 1.00 0.00 C ATOM 628 C TYR A 42 0.161 -3.774 0.490 1.00 0.00 C ATOM 629 O TYR A 42 0.019 -5.002 0.476 1.00 0.00 O ATOM 630 CB TYR A 42 -2.296 -3.199 0.788 1.00 0.00 C ATOM 631 CG TYR A 42 -3.498 -2.359 0.385 1.00 0.00 C ATOM 632 CD1 TYR A 42 -3.455 -0.960 0.516 1.00 0.00 C ATOM 633 CD2 TYR A 42 -4.665 -2.972 -0.109 1.00 0.00 C ATOM 634 CE1 TYR A 42 -4.573 -0.180 0.177 1.00 0.00 C ATOM 635 CE2 TYR A 42 -5.785 -2.197 -0.463 1.00 0.00 C ATOM 636 CZ TYR A 42 -5.744 -0.791 -0.327 1.00 0.00 C ATOM 637 OH TYR A 42 -6.829 -0.027 -0.648 1.00 0.00 O ATOM 0 H TYR A 42 -2.077 -3.197 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 42 -0.712 -1.825 0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.519 -4.246 0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.153 -3.108 1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.557 -0.482 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.701 -4.046 -0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.538 0.892 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.676 -2.677 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.548 -0.604 -0.981 1.00 0.00 H new ATOM 647 N TYR A 43 1.300 -3.179 0.839 1.00 0.00 N ATOM 648 CA TYR A 43 2.469 -3.869 1.350 1.00 0.00 C ATOM 649 C TYR A 43 2.187 -4.446 2.735 1.00 0.00 C ATOM 650 O TYR A 43 1.246 -4.038 3.423 1.00 0.00 O ATOM 651 CB TYR A 43 3.647 -2.895 1.481 1.00 0.00 C ATOM 652 CG TYR A 43 4.317 -2.413 0.210 1.00 0.00 C ATOM 653 CD1 TYR A 43 3.639 -1.542 -0.659 1.00 0.00 C ATOM 654 CD2 TYR A 43 5.653 -2.768 -0.064 1.00 0.00 C ATOM 655 CE1 TYR A 43 4.250 -1.090 -1.837 1.00 0.00 C ATOM 656 CE2 TYR A 43 6.286 -2.288 -1.223 1.00 0.00 C ATOM 657 CZ TYR A 43 5.575 -1.467 -2.129 1.00 0.00 C ATOM 658 OH TYR A 43 6.143 -1.037 -3.285 1.00 0.00 O ATOM 0 H TYR A 43 1.433 -2.170 0.769 1.00 0.00 H new ATOM 0 HA TYR A 43 2.712 -4.669 0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.297 -2.019 2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.408 -3.372 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.638 -1.218 -0.417 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.191 -3.410 0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.706 -0.454 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.316 -2.546 -1.422 1.00 0.00 H new ATOM 0 HH TYR A 43 7.043 -1.417 -3.369 1.00 0.00 H new ATOM 668 N TYR A 44 3.096 -5.299 3.197 1.00 0.00 N ATOM 669 CA TYR A 44 3.083 -5.909 4.508 1.00 0.00 C ATOM 670 C TYR A 44 4.386 -5.595 5.229 1.00 0.00 C ATOM 671 O TYR A 44 5.491 -5.882 4.762 1.00 0.00 O ATOM 672 CB TYR A 44 2.794 -7.397 4.375 1.00 0.00 C ATOM 673 CG TYR A 44 2.926 -8.161 5.668 1.00 0.00 C ATOM 674 CD1 TYR A 44 1.948 -8.009 6.667 1.00 0.00 C ATOM 675 CD2 TYR A 44 4.036 -8.998 5.881 1.00 0.00 C ATOM 676 CE1 TYR A 44 2.060 -8.714 7.874 1.00 0.00 C ATOM 677 CE2 TYR A 44 4.157 -9.703 7.086 1.00 0.00 C ATOM 678 CZ TYR A 44 3.163 -9.572 8.081 1.00 0.00 C ATOM 679 OH TYR A 44 3.263 -10.270 9.244 1.00 0.00 O ATOM 0 H TYR A 44 3.896 -5.593 2.636 1.00 0.00 H new ATOM 0 HA TYR A 44 2.284 -5.495 5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.783 -7.528 3.988 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.475 -7.825 3.640 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.109 -7.348 6.504 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.793 -9.097 5.118 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.308 -8.602 8.641 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.009 -10.345 7.254 1.00 0.00 H new ATOM 0 HH TYR A 44 4.078 -10.815 9.230 1.00 0.00 H new ATOM 689 N ASN A 45 4.220 -4.953 6.377 1.00 0.00 N ATOM 690 CA ASN A 45 5.222 -4.629 7.364 1.00 0.00 C ATOM 691 C ASN A 45 5.379 -5.809 8.305 1.00 0.00 C ATOM 692 O ASN A 45 4.714 -5.864 9.341 1.00 0.00 O ATOM 693 CB ASN A 45 4.792 -3.371 8.114 1.00 0.00 C ATOM 694 CG ASN A 45 5.751 -3.048 9.240 1.00 0.00 C ATOM 695 OD1 ASN A 45 6.949 -3.239 9.123 1.00 0.00 O ATOM 696 ND2 ASN A 45 5.236 -2.572 10.355 1.00 0.00 N ATOM 0 H ASN A 45 3.298 -4.620 6.659 1.00 0.00 H new ATOM 0 HA ASN A 45 6.185 -4.433 6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.744 -2.531 7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.789 -3.510 8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.843 -2.355 11.145 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.230 -2.421 10.428 1.00 0.00 H new ATOM 703 N ALA A 46 6.262 -6.741 7.947 1.00 0.00 N ATOM 704 CA ALA A 46 6.604 -7.890 8.781 1.00 0.00 C ATOM 705 C ALA A 46 7.000 -7.467 10.198 1.00 0.00 C ATOM 706 O ALA A 46 6.632 -8.153 11.153 1.00 0.00 O ATOM 707 CB ALA A 46 7.733 -8.701 8.136 1.00 0.00 C ATOM 0 H ALA A 46 6.765 -6.718 7.060 1.00 0.00 H new ATOM 0 HA ALA A 46 5.714 -8.514 8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.976 -9.554 8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.412 -9.056 7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.615 -8.070 8.022 1.00 0.00 H new ATOM 713 N GLN A 47 7.690 -6.329 10.337 1.00 0.00 N ATOM 714 CA GLN A 47 8.190 -5.771 11.581 1.00 0.00 C ATOM 715 C GLN A 47 7.118 -5.751 12.679 1.00 0.00 C ATOM 716 O GLN A 47 7.316 -6.362 13.730 1.00 0.00 O ATOM 717 CB GLN A 47 8.739 -4.363 11.290 1.00 0.00 C ATOM 718 CG GLN A 47 10.049 -4.118 12.023 1.00 0.00 C ATOM 719 CD GLN A 47 10.460 -2.645 11.966 1.00 0.00 C ATOM 720 OE1 GLN A 47 9.732 -1.761 12.417 1.00 0.00 O ATOM 721 NE2 GLN A 47 11.613 -2.328 11.407 1.00 0.00 N ATOM 0 H GLN A 47 7.923 -5.746 9.533 1.00 0.00 H new ATOM 0 HA GLN A 47 8.989 -6.404 11.966 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.892 -4.245 10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.006 -3.615 11.591 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.948 -4.428 13.063 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.834 -4.733 11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.217 -3.060 11.033 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.900 -1.351 11.349 1.00 0.00 H new ATOM 730 N SER A 48 5.980 -5.098 12.418 1.00 0.00 N ATOM 731 CA SER A 48 4.845 -4.986 13.337 1.00 0.00 C ATOM 732 C SER A 48 3.631 -5.774 12.833 1.00 0.00 C ATOM 733 O SER A 48 2.508 -5.505 13.256 1.00 0.00 O ATOM 734 CB SER A 48 4.515 -3.502 13.596 1.00 0.00 C ATOM 735 OG SER A 48 4.852 -3.165 14.920 1.00 0.00 O ATOM 0 H SER A 48 5.820 -4.618 11.532 1.00 0.00 H new ATOM 0 HA SER A 48 5.124 -5.435 14.290 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.065 -2.870 12.899 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.454 -3.320 13.423 1.00 0.00 H new ATOM 0 HG SER A 48 4.643 -2.221 15.081 1.00 0.00 H new ATOM 741 N GLN A 49 3.831 -6.719 11.911 1.00 0.00 N ATOM 742 CA GLN A 49 2.787 -7.514 11.268 1.00 0.00 C ATOM 743 C GLN A 49 1.621 -6.649 10.743 1.00 0.00 C ATOM 744 O GLN A 49 0.460 -7.065 10.789 1.00 0.00 O ATOM 745 CB GLN A 49 2.349 -8.655 12.210 1.00 0.00 C ATOM 746 CG GLN A 49 3.503 -9.630 12.530 1.00 0.00 C ATOM 747 CD GLN A 49 3.203 -11.108 12.250 1.00 0.00 C ATOM 748 OE1 GLN A 49 2.064 -11.559 12.214 1.00 0.00 O ATOM 749 NE2 GLN A 49 4.227 -11.907 12.001 1.00 0.00 N ATOM 0 H GLN A 49 4.765 -6.960 11.580 1.00 0.00 H new ATOM 0 HA GLN A 49 3.197 -7.975 10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.968 -8.230 13.139 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.528 -9.206 11.751 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.377 -9.337 11.949 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.768 -9.522 13.582 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.178 -11.540 12.029 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.065 -12.890 11.781 1.00 0.00 H new ATOM 758 N GLN A 50 1.912 -5.430 10.279 1.00 0.00 N ATOM 759 CA GLN A 50 0.961 -4.409 9.853 1.00 0.00 C ATOM 760 C GLN A 50 0.938 -4.284 8.328 1.00 0.00 C ATOM 761 O GLN A 50 1.750 -4.918 7.657 1.00 0.00 O ATOM 762 CB GLN A 50 1.331 -3.094 10.570 1.00 0.00 C ATOM 763 CG GLN A 50 0.138 -2.440 11.284 1.00 0.00 C ATOM 764 CD GLN A 50 -0.647 -3.358 12.222 1.00 0.00 C ATOM 765 OE1 GLN A 50 -1.871 -3.281 12.307 1.00 0.00 O ATOM 766 NE2 GLN A 50 0.019 -4.245 12.944 1.00 0.00 N ATOM 0 H GLN A 50 2.878 -5.114 10.187 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.057 -4.681 10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.118 -3.293 11.298 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.740 -2.393 9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.502 -1.588 11.858 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.545 -2.049 10.530 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.035 -4.304 12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.483 -4.869 13.575 1.00 0.00 H new ATOM 775 N TYR A 51 0.039 -3.470 7.776 1.00 0.00 N ATOM 776 CA TYR A 51 -0.082 -3.255 6.335 1.00 0.00 C ATOM 777 C TYR A 51 0.282 -1.807 6.033 1.00 0.00 C ATOM 778 O TYR A 51 -0.011 -0.911 6.825 1.00 0.00 O ATOM 779 CB TYR A 51 -1.499 -3.576 5.842 1.00 0.00 C ATOM 780 CG TYR A 51 -1.775 -5.038 5.522 1.00 0.00 C ATOM 781 CD1 TYR A 51 -1.504 -6.045 6.468 1.00 0.00 C ATOM 782 CD2 TYR A 51 -2.341 -5.391 4.280 1.00 0.00 C ATOM 783 CE1 TYR A 51 -1.828 -7.382 6.199 1.00 0.00 C ATOM 784 CE2 TYR A 51 -2.673 -6.727 4.003 1.00 0.00 C ATOM 785 CZ TYR A 51 -2.446 -7.719 4.978 1.00 0.00 C ATOM 786 OH TYR A 51 -2.862 -8.994 4.766 1.00 0.00 O ATOM 0 H TYR A 51 -0.634 -2.935 8.324 1.00 0.00 H new ATOM 0 HA TYR A 51 0.597 -3.926 5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.210 -3.250 6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.694 -2.985 4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.042 -5.785 7.409 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.520 -4.629 3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.605 -8.151 6.924 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.100 -6.993 3.047 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.268 -9.062 3.877 1.00 0.00 H new ATOM 796 N LEU A 52 0.888 -1.558 4.876 1.00 0.00 N ATOM 797 CA LEU A 52 1.392 -0.254 4.460 1.00 0.00 C ATOM 798 C LEU A 52 1.040 -0.034 2.983 1.00 0.00 C ATOM 799 O LEU A 52 0.516 -0.934 2.328 1.00 0.00 O ATOM 800 CB LEU A 52 2.916 -0.159 4.686 1.00 0.00 C ATOM 801 CG LEU A 52 3.454 -0.389 6.112 1.00 0.00 C ATOM 802 CD1 LEU A 52 4.981 -0.313 6.079 1.00 0.00 C ATOM 803 CD2 LEU A 52 2.995 0.613 7.170 1.00 0.00 C ATOM 0 H LEU A 52 1.047 -2.285 4.178 1.00 0.00 H new ATOM 0 HA LEU A 52 0.925 0.526 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.396 -0.883 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.240 0.830 4.363 1.00 0.00 H new ATOM 0 HG LEU A 52 3.057 -1.362 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.375 -0.474 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.369 -1.080 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.289 0.670 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.435 0.353 8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.314 1.615 6.884 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.908 0.587 7.249 1.00 0.00 H new ATOM 815 N TYR A 53 1.321 1.145 2.442 1.00 0.00 N ATOM 816 CA TYR A 53 1.332 1.444 1.021 1.00 0.00 C ATOM 817 C TYR A 53 2.532 2.349 0.740 1.00 0.00 C ATOM 818 O TYR A 53 2.899 3.192 1.571 1.00 0.00 O ATOM 819 CB TYR A 53 0.006 2.068 0.567 1.00 0.00 C ATOM 820 CG TYR A 53 -0.282 3.493 1.009 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.533 3.811 2.357 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.373 4.504 0.036 1.00 0.00 C ATOM 823 CE1 TYR A 53 -0.912 5.111 2.726 1.00 0.00 C ATOM 824 CE2 TYR A 53 -0.782 5.798 0.389 1.00 0.00 C ATOM 825 CZ TYR A 53 -1.062 6.107 1.736 1.00 0.00 C ATOM 826 OH TYR A 53 -1.478 7.356 2.073 1.00 0.00 O ATOM 0 H TYR A 53 1.559 1.956 3.013 1.00 0.00 H new ATOM 0 HA TYR A 53 1.433 0.525 0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.024 2.040 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.805 1.434 0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.433 3.048 3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.126 4.282 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.089 5.349 3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.883 6.558 -0.371 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.525 7.913 1.268 1.00 0.00 H new ATOM 836 N TRP A 54 3.170 2.141 -0.413 1.00 0.00 N ATOM 837 CA TRP A 54 4.283 2.957 -0.853 1.00 0.00 C ATOM 838 C TRP A 54 3.659 4.156 -1.549 1.00 0.00 C ATOM 839 O TRP A 54 3.175 4.045 -2.679 1.00 0.00 O ATOM 840 CB TRP A 54 5.251 2.166 -1.746 1.00 0.00 C ATOM 841 CG TRP A 54 6.206 3.026 -2.502 1.00 0.00 C ATOM 842 CD1 TRP A 54 6.235 3.159 -3.845 1.00 0.00 C ATOM 843 CD2 TRP A 54 7.236 3.914 -1.989 1.00 0.00 C ATOM 844 NE1 TRP A 54 7.192 4.082 -4.194 1.00 0.00 N ATOM 845 CE2 TRP A 54 7.815 4.611 -3.088 1.00 0.00 C ATOM 846 CE3 TRP A 54 7.748 4.184 -0.707 1.00 0.00 C ATOM 847 CZ2 TRP A 54 8.823 5.566 -2.920 1.00 0.00 C ATOM 848 CZ3 TRP A 54 8.794 5.103 -0.530 1.00 0.00 C ATOM 849 CH2 TRP A 54 9.320 5.805 -1.630 1.00 0.00 C ATOM 0 H TRP A 54 2.922 1.397 -1.065 1.00 0.00 H new ATOM 0 HA TRP A 54 4.905 3.285 -0.020 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.815 1.469 -1.127 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.674 1.570 -2.453 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.604 2.623 -4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.413 4.342 -5.155 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.331 3.678 0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 9.212 6.110 -3.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.198 5.272 0.457 1.00 0.00 H new ATOM 0 HH2 TRP A 54 10.108 6.529 -1.481 1.00 0.00 H new ATOM 860 N ASP A 55 3.595 5.288 -0.851 1.00 0.00 N ATOM 861 CA ASP A 55 2.997 6.494 -1.381 1.00 0.00 C ATOM 862 C ASP A 55 4.080 7.259 -2.113 1.00 0.00 C ATOM 863 O ASP A 55 4.766 8.108 -1.533 1.00 0.00 O ATOM 864 CB ASP A 55 2.345 7.337 -0.285 1.00 0.00 C ATOM 865 CG ASP A 55 1.474 8.450 -0.871 1.00 0.00 C ATOM 866 OD1 ASP A 55 1.358 8.558 -2.116 1.00 0.00 O ATOM 867 OD2 ASP A 55 0.834 9.154 -0.055 1.00 0.00 O ATOM 0 H ASP A 55 3.958 5.387 0.097 1.00 0.00 H new ATOM 0 HA ASP A 55 2.192 6.238 -2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.736 6.697 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.118 7.774 0.347 1.00 0.00 H new ATOM 872 N GLY A 56 4.271 6.937 -3.392 1.00 0.00 N ATOM 873 CA GLY A 56 5.230 7.605 -4.249 1.00 0.00 C ATOM 874 C GLY A 56 4.964 9.108 -4.359 1.00 0.00 C ATOM 875 O GLY A 56 5.892 9.841 -4.694 1.00 0.00 O ATOM 0 H GLY A 56 3.753 6.194 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.235 7.444 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.198 7.159 -5.243 1.00 0.00 H new ATOM 879 N GLU A 57 3.768 9.607 -4.003 1.00 0.00 N ATOM 880 CA GLU A 57 3.537 11.058 -3.988 1.00 0.00 C ATOM 881 C GLU A 57 4.315 11.732 -2.858 1.00 0.00 C ATOM 882 O GLU A 57 4.580 12.929 -2.919 1.00 0.00 O ATOM 883 CB GLU A 57 2.058 11.415 -3.812 1.00 0.00 C ATOM 884 CG GLU A 57 1.179 10.936 -4.969 1.00 0.00 C ATOM 885 CD GLU A 57 -0.069 11.806 -5.108 1.00 0.00 C ATOM 886 OE1 GLU A 57 -1.104 11.555 -4.441 1.00 0.00 O ATOM 887 OE2 GLU A 57 -0.061 12.755 -5.922 1.00 0.00 O ATOM 0 H GLU A 57 2.965 9.041 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 57 3.881 11.418 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.694 10.977 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.961 12.496 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.749 10.961 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.887 9.899 -4.803 1.00 0.00 H new ATOM 894 N ARG A 58 4.689 10.991 -1.818 1.00 0.00 N ATOM 895 CA ARG A 58 5.426 11.482 -0.657 1.00 0.00 C ATOM 896 C ARG A 58 6.759 10.756 -0.497 1.00 0.00 C ATOM 897 O ARG A 58 7.539 11.085 0.395 1.00 0.00 O ATOM 898 CB ARG A 58 4.531 11.306 0.573 1.00 0.00 C ATOM 899 CG ARG A 58 3.292 12.204 0.504 1.00 0.00 C ATOM 900 CD ARG A 58 2.371 11.902 1.686 1.00 0.00 C ATOM 901 NE ARG A 58 1.962 13.111 2.416 1.00 0.00 N ATOM 902 CZ ARG A 58 0.899 13.173 3.222 1.00 0.00 C ATOM 903 NH1 ARG A 58 0.121 12.119 3.406 1.00 0.00 N ATOM 904 NH2 ARG A 58 0.634 14.284 3.891 1.00 0.00 N ATOM 0 H ARG A 58 4.479 9.995 -1.759 1.00 0.00 H new ATOM 0 HA ARG A 58 5.671 12.536 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.221 10.264 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.100 11.539 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.589 13.253 0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.762 12.038 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.483 11.384 1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.879 11.224 2.372 1.00 0.00 H new ATOM 0 HE ARG A 58 2.525 13.954 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.329 11.242 2.929 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.687 12.183 4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.243 15.097 3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.179 14.328 4.506 1.00 0.00 H new ATOM 918 N ARG A 59 7.031 9.777 -1.365 1.00 0.00 N ATOM 919 CA ARG A 59 8.171 8.869 -1.324 1.00 0.00 C ATOM 920 C ARG A 59 8.387 8.356 0.095 1.00 0.00 C ATOM 921 O ARG A 59 9.463 8.520 0.676 1.00 0.00 O ATOM 922 CB ARG A 59 9.435 9.489 -1.944 1.00 0.00 C ATOM 923 CG ARG A 59 9.261 9.923 -3.406 1.00 0.00 C ATOM 924 CD ARG A 59 8.674 11.333 -3.513 1.00 0.00 C ATOM 925 NE ARG A 59 8.994 11.930 -4.814 1.00 0.00 N ATOM 926 CZ ARG A 59 9.369 13.192 -5.039 1.00 0.00 C ATOM 927 NH1 ARG A 59 9.262 14.117 -4.089 1.00 0.00 N ATOM 928 NH2 ARG A 59 9.877 13.519 -6.218 1.00 0.00 N ATOM 0 H ARG A 59 6.422 9.590 -2.161 1.00 0.00 H new ATOM 0 HA ARG A 59 7.944 8.006 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.732 10.354 -1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.249 8.767 -1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.226 9.891 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.608 9.217 -3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.593 11.293 -3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.069 11.959 -2.713 1.00 0.00 H new ATOM 0 HE ARG A 59 8.923 11.320 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.889 13.867 -3.173 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.553 15.077 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.979 12.810 -6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.166 14.480 -6.400 1.00 0.00 H new ATOM 942 N THR A 60 7.354 7.751 0.673 1.00 0.00 N ATOM 943 CA THR A 60 7.452 7.154 1.989 1.00 0.00 C ATOM 944 C THR A 60 6.504 5.956 2.060 1.00 0.00 C ATOM 945 O THR A 60 5.512 5.894 1.330 1.00 0.00 O ATOM 946 CB THR A 60 7.229 8.263 3.037 1.00 0.00 C ATOM 947 OG1 THR A 60 7.694 7.891 4.320 1.00 0.00 O ATOM 948 CG2 THR A 60 5.779 8.739 3.129 1.00 0.00 C ATOM 0 H THR A 60 6.434 7.664 0.241 1.00 0.00 H new ATOM 0 HA THR A 60 8.438 6.742 2.205 1.00 0.00 H new ATOM 0 HB THR A 60 7.824 9.103 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.534 8.624 4.951 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.699 9.519 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.465 9.137 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.138 7.901 3.402 1.00 0.00 H new ATOM 956 N TYR A 61 6.830 4.994 2.922 1.00 0.00 N ATOM 957 CA TYR A 61 6.018 3.822 3.204 1.00 0.00 C ATOM 958 C TYR A 61 5.154 4.183 4.409 1.00 0.00 C ATOM 959 O TYR A 61 5.686 4.453 5.491 1.00 0.00 O ATOM 960 CB TYR A 61 6.920 2.611 3.510 1.00 0.00 C ATOM 961 CG TYR A 61 7.904 2.158 2.436 1.00 0.00 C ATOM 962 CD1 TYR A 61 9.171 2.760 2.304 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.595 1.050 1.629 1.00 0.00 C ATOM 964 CE1 TYR A 61 10.111 2.232 1.396 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.537 0.494 0.750 1.00 0.00 C ATOM 966 CZ TYR A 61 9.819 1.068 0.648 1.00 0.00 C ATOM 967 OH TYR A 61 10.769 0.523 -0.161 1.00 0.00 O ATOM 0 H TYR A 61 7.697 5.014 3.459 1.00 0.00 H new ATOM 0 HA TYR A 61 5.398 3.546 2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.491 2.839 4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.274 1.766 3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.422 3.626 2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.608 0.615 1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.065 2.722 1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.280 -0.370 0.155 1.00 0.00 H new ATOM 0 HH TYR A 61 10.601 -0.437 -0.261 1.00 0.00 H new ATOM 977 N VAL A 62 3.841 4.229 4.228 1.00 0.00 N ATOM 978 CA VAL A 62 2.862 4.722 5.199 1.00 0.00 C ATOM 979 C VAL A 62 1.798 3.659 5.464 1.00 0.00 C ATOM 980 O VAL A 62 1.590 2.807 4.609 1.00 0.00 O ATOM 981 CB VAL A 62 2.238 6.047 4.705 1.00 0.00 C ATOM 982 CG1 VAL A 62 2.961 7.246 5.325 1.00 0.00 C ATOM 983 CG2 VAL A 62 2.251 6.227 3.177 1.00 0.00 C ATOM 0 H VAL A 62 3.405 3.910 3.363 1.00 0.00 H new ATOM 0 HA VAL A 62 3.366 4.927 6.143 1.00 0.00 H new ATOM 0 HB VAL A 62 1.196 5.997 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.508 8.170 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.878 7.199 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.013 7.223 5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.794 7.183 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.280 6.208 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.688 5.418 2.711 1.00 0.00 H new ATOM 993 N PRO A 63 1.122 3.655 6.623 1.00 0.00 N ATOM 994 CA PRO A 63 0.114 2.653 6.933 1.00 0.00 C ATOM 995 C PRO A 63 -1.105 2.829 6.037 1.00 0.00 C ATOM 996 O PRO A 63 -1.639 3.933 5.924 1.00 0.00 O ATOM 997 CB PRO A 63 -0.207 2.824 8.417 1.00 0.00 C ATOM 998 CG PRO A 63 0.134 4.287 8.682 1.00 0.00 C ATOM 999 CD PRO A 63 1.310 4.554 7.746 1.00 0.00 C ATOM 0 HA PRO A 63 0.466 1.639 6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.254 2.610 8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.388 2.153 9.037 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.710 4.942 8.463 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.405 4.454 9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.323 5.594 7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.260 4.365 8.246 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.553 1.734 5.418 1.00 0.00 N ATOM 1008 CA ALA A 64 -2.738 1.724 4.559 1.00 0.00 C ATOM 1009 C ALA A 64 -3.994 1.267 5.292 1.00 0.00 C ATOM 1010 O ALA A 64 -5.027 0.967 4.692 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.473 0.857 3.336 1.00 0.00 C ATOM 0 H ALA A 64 -1.100 0.824 5.500 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.928 2.750 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.356 0.850 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.626 1.260 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.247 -0.161 3.654 1.00 0.00 H new