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 36 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 41 GLN : amide:sc= 0.0564 X(o=0.056,f=0.18) USER MOD Set 2.1: A 18 TYR OH : rot -80:sc= 0.8 USER MOD Set 2.2: A 43 TYR OH : rot 180:sc= 1.1 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 -59:sc= 1.28 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 20 TYR OH : rot -33:sc= -0.0265 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : 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 USER MOD Single : A 31 GLN : amide:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 32 THR OG1 : rot -150:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 40 SER OG : rot 71:sc= 1.29 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.64) USER MOD Single : A 47 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.6 K(o=0.6,f=-0.25) 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= 0.0102 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0192 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 15.250 5.258 2.075 1.00 0.00 N ATOM 135 CA TYR A 10 15.129 3.819 1.874 1.00 0.00 C ATOM 136 C TYR A 10 15.950 3.348 0.664 1.00 0.00 C ATOM 137 O TYR A 10 16.310 4.169 -0.188 1.00 0.00 O ATOM 138 CB TYR A 10 13.640 3.501 1.686 1.00 0.00 C ATOM 139 CG TYR A 10 12.901 3.346 2.998 1.00 0.00 C ATOM 140 CD1 TYR A 10 12.459 4.478 3.708 1.00 0.00 C ATOM 141 CD2 TYR A 10 12.717 2.059 3.538 1.00 0.00 C ATOM 142 CE1 TYR A 10 11.873 4.329 4.977 1.00 0.00 C ATOM 143 CE2 TYR A 10 12.139 1.899 4.805 1.00 0.00 C ATOM 144 CZ TYR A 10 11.747 3.038 5.537 1.00 0.00 C ATOM 145 OH TYR A 10 11.251 2.878 6.789 1.00 0.00 O ATOM 0 HA TYR A 10 15.525 3.289 2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 10 13.174 4.296 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 10 13.540 2.583 1.108 1.00 0.00 H new ATOM 0 HD1 TYR A 10 12.570 5.462 3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.023 1.191 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.522 5.194 5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 10 11.995 0.911 5.217 1.00 0.00 H new ATOM 0 HH TYR A 10 11.233 1.924 7.014 1.00 0.00 H new ATOM 155 N PRO A 11 16.199 2.028 0.542 1.00 0.00 N ATOM 156 CA PRO A 11 16.685 1.403 -0.684 1.00 0.00 C ATOM 157 C PRO A 11 15.618 1.512 -1.783 1.00 0.00 C ATOM 158 O PRO A 11 14.471 1.872 -1.505 1.00 0.00 O ATOM 159 CB PRO A 11 17.001 -0.049 -0.308 1.00 0.00 C ATOM 160 CG PRO A 11 16.015 -0.334 0.819 1.00 0.00 C ATOM 161 CD PRO A 11 15.921 1.008 1.541 1.00 0.00 C ATOM 0 HA PRO A 11 17.575 1.888 -1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.857 -0.725 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 11 18.034 -0.165 0.020 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.046 -0.655 0.436 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.374 -1.123 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.931 1.148 1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.638 1.060 2.360 1.00 0.00 H new ATOM 169 N VAL A 12 15.984 1.171 -3.019 1.00 0.00 N ATOM 170 CA VAL A 12 15.187 1.389 -4.227 1.00 0.00 C ATOM 171 C VAL A 12 14.679 0.029 -4.729 1.00 0.00 C ATOM 172 O VAL A 12 15.396 -0.628 -5.489 1.00 0.00 O ATOM 173 CB VAL A 12 16.015 2.156 -5.282 1.00 0.00 C ATOM 174 CG1 VAL A 12 15.165 2.488 -6.515 1.00 0.00 C ATOM 175 CG2 VAL A 12 16.599 3.455 -4.706 1.00 0.00 C ATOM 0 H VAL A 12 16.877 0.718 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 12 14.318 2.012 -4.014 1.00 0.00 H new ATOM 0 HB VAL A 12 16.836 1.502 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.773 3.028 -7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.798 1.565 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.319 3.108 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 12 17.175 3.968 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.788 4.101 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 12 17.249 3.219 -3.863 1.00 0.00 H new ATOM 185 N PRO A 13 13.539 -0.482 -4.238 1.00 0.00 N ATOM 186 CA PRO A 13 13.085 -1.812 -4.592 1.00 0.00 C ATOM 187 C PRO A 13 12.496 -1.815 -6.009 1.00 0.00 C ATOM 188 O PRO A 13 12.174 -0.764 -6.575 1.00 0.00 O ATOM 189 CB PRO A 13 12.037 -2.137 -3.531 1.00 0.00 C ATOM 190 CG PRO A 13 11.365 -0.783 -3.297 1.00 0.00 C ATOM 191 CD PRO A 13 12.541 0.185 -3.417 1.00 0.00 C ATOM 0 HA PRO A 13 13.884 -2.553 -4.609 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.327 -2.887 -3.880 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.491 -2.527 -2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.592 -0.579 -4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.890 -0.728 -2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.227 1.123 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.946 0.428 -2.435 1.00 0.00 H new ATOM 199 N ASP A 14 12.295 -3.011 -6.557 1.00 0.00 N ATOM 200 CA ASP A 14 11.631 -3.238 -7.832 1.00 0.00 C ATOM 201 C ASP A 14 10.802 -4.508 -7.685 1.00 0.00 C ATOM 202 O ASP A 14 11.338 -5.533 -7.247 1.00 0.00 O ATOM 203 CB ASP A 14 12.668 -3.399 -8.954 1.00 0.00 C ATOM 204 CG ASP A 14 12.042 -3.486 -10.345 1.00 0.00 C ATOM 205 OD1 ASP A 14 10.822 -3.719 -10.480 1.00 0.00 O ATOM 206 OD2 ASP A 14 12.784 -3.350 -11.343 1.00 0.00 O ATOM 0 H ASP A 14 12.601 -3.875 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 14 10.996 -2.392 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.358 -2.556 -8.926 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.256 -4.298 -8.770 1.00 0.00 H new ATOM 211 N VAL A 15 9.520 -4.452 -8.054 1.00 0.00 N ATOM 212 CA VAL A 15 8.607 -5.592 -8.058 1.00 0.00 C ATOM 213 C VAL A 15 9.166 -6.773 -8.862 1.00 0.00 C ATOM 214 O VAL A 15 8.878 -7.923 -8.527 1.00 0.00 O ATOM 215 CB VAL A 15 7.200 -5.138 -8.511 1.00 0.00 C ATOM 216 CG1 VAL A 15 7.176 -4.585 -9.944 1.00 0.00 C ATOM 217 CG2 VAL A 15 6.163 -6.260 -8.379 1.00 0.00 C ATOM 0 H VAL A 15 9.079 -3.587 -8.367 1.00 0.00 H new ATOM 0 HA VAL A 15 8.508 -5.972 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 15 6.934 -4.326 -7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.160 -4.284 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.838 -3.722 -10.012 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.512 -5.356 -10.637 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.190 -5.896 -8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.462 -7.107 -8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.099 -6.576 -7.338 1.00 0.00 H new ATOM 227 N SER A 16 10.063 -6.519 -9.823 1.00 0.00 N ATOM 228 CA SER A 16 10.846 -7.520 -10.547 1.00 0.00 C ATOM 229 C SER A 16 11.452 -8.577 -9.612 1.00 0.00 C ATOM 230 O SER A 16 11.644 -9.725 -10.020 1.00 0.00 O ATOM 231 CB SER A 16 11.953 -6.737 -11.272 1.00 0.00 C ATOM 232 OG SER A 16 12.812 -7.518 -12.073 1.00 0.00 O ATOM 0 H SER A 16 10.269 -5.568 -10.128 1.00 0.00 H new ATOM 0 HA SER A 16 10.212 -8.073 -11.239 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.488 -5.977 -11.900 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.552 -6.213 -10.528 1.00 0.00 H new ATOM 0 HG SER A 16 13.481 -6.940 -12.495 1.00 0.00 H new ATOM 238 N THR A 17 11.745 -8.204 -8.365 1.00 0.00 N ATOM 239 CA THR A 17 12.476 -9.007 -7.403 1.00 0.00 C ATOM 240 C THR A 17 11.589 -9.520 -6.255 1.00 0.00 C ATOM 241 O THR A 17 12.100 -10.137 -5.316 1.00 0.00 O ATOM 242 CB THR A 17 13.674 -8.178 -6.903 1.00 0.00 C ATOM 243 OG1 THR A 17 13.288 -7.033 -6.155 1.00 0.00 O ATOM 244 CG2 THR A 17 14.585 -7.693 -8.035 1.00 0.00 C ATOM 0 H THR A 17 11.465 -7.298 -7.990 1.00 0.00 H new ATOM 0 HA THR A 17 12.837 -9.913 -7.890 1.00 0.00 H new ATOM 0 HB THR A 17 14.216 -8.874 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.724 -6.455 -6.710 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.409 -7.115 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.982 -8.552 -8.576 1.00 0.00 H new ATOM 0 HG23 THR A 17 14.013 -7.066 -8.719 1.00 0.00 H new ATOM 252 N TYR A 18 10.283 -9.235 -6.270 1.00 0.00 N ATOM 253 CA TYR A 18 9.362 -9.655 -5.220 1.00 0.00 C ATOM 254 C TYR A 18 9.008 -11.132 -5.375 1.00 0.00 C ATOM 255 O TYR A 18 9.429 -11.806 -6.322 1.00 0.00 O ATOM 256 CB TYR A 18 8.119 -8.753 -5.224 1.00 0.00 C ATOM 257 CG TYR A 18 8.346 -7.310 -4.809 1.00 0.00 C ATOM 258 CD1 TYR A 18 9.592 -6.851 -4.337 1.00 0.00 C ATOM 259 CD2 TYR A 18 7.273 -6.411 -4.901 1.00 0.00 C ATOM 260 CE1 TYR A 18 9.777 -5.496 -4.030 1.00 0.00 C ATOM 261 CE2 TYR A 18 7.451 -5.044 -4.632 1.00 0.00 C ATOM 262 CZ TYR A 18 8.711 -4.579 -4.195 1.00 0.00 C ATOM 263 OH TYR A 18 8.911 -3.266 -3.899 1.00 0.00 O ATOM 0 H TYR A 18 9.837 -8.703 -7.017 1.00 0.00 H new ATOM 0 HA TYR A 18 9.845 -9.546 -4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 18 7.692 -8.760 -6.227 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.375 -9.190 -4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 18 10.408 -7.547 -4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.296 -6.775 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.734 -5.151 -3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.630 -4.353 -4.758 1.00 0.00 H new ATOM 0 HH TYR A 18 8.846 -3.135 -2.930 1.00 0.00 H new ATOM 273 N GLN A 19 8.248 -11.646 -4.418 1.00 0.00 N ATOM 274 CA GLN A 19 7.852 -13.042 -4.319 1.00 0.00 C ATOM 275 C GLN A 19 6.339 -13.097 -4.445 1.00 0.00 C ATOM 276 O GLN A 19 5.634 -12.657 -3.545 1.00 0.00 O ATOM 277 CB GLN A 19 8.331 -13.605 -2.973 1.00 0.00 C ATOM 278 CG GLN A 19 9.858 -13.767 -2.928 1.00 0.00 C ATOM 279 CD GLN A 19 10.381 -14.235 -1.570 1.00 0.00 C ATOM 280 OE1 GLN A 19 9.661 -14.787 -0.736 1.00 0.00 O ATOM 281 NE2 GLN A 19 11.659 -14.012 -1.318 1.00 0.00 N ATOM 0 H GLN A 19 7.875 -11.077 -3.658 1.00 0.00 H new ATOM 0 HA GLN A 19 8.299 -13.647 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.013 -12.942 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.858 -14.571 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.162 -14.482 -3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.324 -12.814 -3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.244 -13.554 -2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.060 -14.298 -0.425 1.00 0.00 H new ATOM 290 N TYR A 20 5.831 -13.560 -5.581 1.00 0.00 N ATOM 291 CA TYR A 20 4.399 -13.721 -5.760 1.00 0.00 C ATOM 292 C TYR A 20 3.878 -14.813 -4.822 1.00 0.00 C ATOM 293 O TYR A 20 4.552 -15.820 -4.591 1.00 0.00 O ATOM 294 CB TYR A 20 4.137 -14.064 -7.221 1.00 0.00 C ATOM 295 CG TYR A 20 2.683 -14.009 -7.630 1.00 0.00 C ATOM 296 CD1 TYR A 20 2.051 -12.757 -7.731 1.00 0.00 C ATOM 297 CD2 TYR A 20 1.969 -15.184 -7.930 1.00 0.00 C ATOM 298 CE1 TYR A 20 0.713 -12.666 -8.141 1.00 0.00 C ATOM 299 CE2 TYR A 20 0.626 -15.098 -8.336 1.00 0.00 C ATOM 300 CZ TYR A 20 -0.015 -13.841 -8.423 1.00 0.00 C ATOM 301 OH TYR A 20 -1.329 -13.770 -8.772 1.00 0.00 O ATOM 0 H TYR A 20 6.391 -13.829 -6.389 1.00 0.00 H new ATOM 0 HA TYR A 20 3.872 -12.800 -5.512 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.704 -13.377 -7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.519 -15.065 -7.419 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.600 -11.859 -7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.451 -16.147 -7.849 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.241 -11.700 -8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.081 -15.997 -8.583 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.751 -13.017 -8.308 1.00 0.00 H new ATOM 311 N ASP A 21 2.645 -14.660 -4.349 1.00 0.00 N ATOM 312 CA ASP A 21 1.942 -15.617 -3.500 1.00 0.00 C ATOM 313 C ASP A 21 0.527 -15.752 -4.049 1.00 0.00 C ATOM 314 O ASP A 21 -0.395 -15.056 -3.622 1.00 0.00 O ATOM 315 CB ASP A 21 1.965 -15.220 -2.006 1.00 0.00 C ATOM 316 CG ASP A 21 2.571 -16.307 -1.113 1.00 0.00 C ATOM 317 OD1 ASP A 21 2.291 -17.506 -1.328 1.00 0.00 O ATOM 318 OD2 ASP A 21 3.299 -15.982 -0.153 1.00 0.00 O ATOM 0 H ASP A 21 2.085 -13.832 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 21 2.448 -16.582 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.536 -14.299 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.948 -15.009 -1.675 1.00 0.00 H new ATOM 323 N GLU A 22 0.368 -16.642 -5.027 1.00 0.00 N ATOM 324 CA GLU A 22 -0.881 -16.977 -5.720 1.00 0.00 C ATOM 325 C GLU A 22 -2.048 -17.280 -4.772 1.00 0.00 C ATOM 326 O GLU A 22 -3.191 -16.964 -5.091 1.00 0.00 O ATOM 327 CB GLU A 22 -0.669 -18.172 -6.668 1.00 0.00 C ATOM 328 CG GLU A 22 0.335 -19.197 -6.140 1.00 0.00 C ATOM 329 CD GLU A 22 0.211 -20.530 -6.855 1.00 0.00 C ATOM 330 OE1 GLU A 22 0.795 -20.665 -7.953 1.00 0.00 O ATOM 331 OE2 GLU A 22 -0.415 -21.438 -6.269 1.00 0.00 O ATOM 0 H GLU A 22 1.156 -17.184 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.153 -16.087 -6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.626 -18.666 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.326 -17.803 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.347 -18.811 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.178 -19.342 -5.071 1.00 0.00 H new ATOM 338 N THR A 23 -1.762 -17.848 -3.601 1.00 0.00 N ATOM 339 CA THR A 23 -2.741 -18.189 -2.574 1.00 0.00 C ATOM 340 C THR A 23 -3.505 -16.958 -2.057 1.00 0.00 C ATOM 341 O THR A 23 -4.602 -17.118 -1.519 1.00 0.00 O ATOM 342 CB THR A 23 -2.034 -19.012 -1.479 1.00 0.00 C ATOM 343 OG1 THR A 23 -2.875 -19.379 -0.401 1.00 0.00 O ATOM 344 CG2 THR A 23 -0.791 -18.329 -0.909 1.00 0.00 C ATOM 0 H THR A 23 -0.808 -18.091 -3.334 1.00 0.00 H new ATOM 0 HA THR A 23 -3.528 -18.811 -3.000 1.00 0.00 H new ATOM 0 HB THR A 23 -1.734 -19.915 -2.010 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.361 -19.898 0.252 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.345 -18.965 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.069 -18.162 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.071 -17.373 -0.468 1.00 0.00 H new ATOM 352 N SER A 24 -2.990 -15.742 -2.265 1.00 0.00 N ATOM 353 CA SER A 24 -3.831 -14.548 -2.334 1.00 0.00 C ATOM 354 C SER A 24 -3.917 -14.064 -3.784 1.00 0.00 C ATOM 355 O SER A 24 -5.005 -13.839 -4.311 1.00 0.00 O ATOM 356 CB SER A 24 -3.276 -13.459 -1.416 1.00 0.00 C ATOM 357 OG SER A 24 -3.415 -13.825 -0.054 1.00 0.00 O ATOM 0 H SER A 24 -1.994 -15.561 -2.388 1.00 0.00 H new ATOM 0 HA SER A 24 -4.837 -14.790 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.224 -13.287 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.800 -12.521 -1.600 1.00 0.00 H new ATOM 0 HG SER A 24 -3.052 -13.114 0.514 1.00 0.00 H new ATOM 363 N GLY A 25 -2.770 -13.918 -4.446 1.00 0.00 N ATOM 364 CA GLY A 25 -2.627 -13.320 -5.762 1.00 0.00 C ATOM 365 C GLY A 25 -1.771 -12.062 -5.728 1.00 0.00 C ATOM 366 O GLY A 25 -1.752 -11.331 -6.714 1.00 0.00 O ATOM 0 H GLY A 25 -1.879 -14.229 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.179 -14.044 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.613 -13.077 -6.159 1.00 0.00 H new ATOM 370 N TYR A 26 -1.114 -11.769 -4.608 1.00 0.00 N ATOM 371 CA TYR A 26 -0.339 -10.553 -4.407 1.00 0.00 C ATOM 372 C TYR A 26 1.140 -10.892 -4.475 1.00 0.00 C ATOM 373 O TYR A 26 1.531 -12.061 -4.446 1.00 0.00 O ATOM 374 CB TYR A 26 -0.715 -9.934 -3.044 1.00 0.00 C ATOM 375 CG TYR A 26 -1.833 -8.904 -3.122 1.00 0.00 C ATOM 376 CD1 TYR A 26 -2.955 -9.126 -3.946 1.00 0.00 C ATOM 377 CD2 TYR A 26 -1.735 -7.691 -2.413 1.00 0.00 C ATOM 378 CE1 TYR A 26 -3.930 -8.133 -4.110 1.00 0.00 C ATOM 379 CE2 TYR A 26 -2.731 -6.704 -2.542 1.00 0.00 C ATOM 380 CZ TYR A 26 -3.823 -6.915 -3.416 1.00 0.00 C ATOM 381 OH TYR A 26 -4.770 -5.960 -3.615 1.00 0.00 O ATOM 0 H TYR A 26 -1.107 -12.388 -3.797 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.559 -9.822 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.016 -10.731 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.169 -9.464 -2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.064 -10.072 -4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.889 -7.516 -1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.766 -8.304 -4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.661 -5.788 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.563 -5.175 -3.067 1.00 0.00 H new ATOM 391 N TYR A 27 1.955 -9.852 -4.537 1.00 0.00 N ATOM 392 CA TYR A 27 3.390 -9.938 -4.355 1.00 0.00 C ATOM 393 C TYR A 27 3.684 -9.667 -2.891 1.00 0.00 C ATOM 394 O TYR A 27 2.959 -8.909 -2.249 1.00 0.00 O ATOM 395 CB TYR A 27 4.089 -8.927 -5.264 1.00 0.00 C ATOM 396 CG TYR A 27 3.936 -9.266 -6.732 1.00 0.00 C ATOM 397 CD1 TYR A 27 2.814 -8.811 -7.452 1.00 0.00 C ATOM 398 CD2 TYR A 27 4.880 -10.103 -7.356 1.00 0.00 C ATOM 399 CE1 TYR A 27 2.641 -9.187 -8.795 1.00 0.00 C ATOM 400 CE2 TYR A 27 4.704 -10.489 -8.694 1.00 0.00 C ATOM 401 CZ TYR A 27 3.581 -10.029 -9.417 1.00 0.00 C ATOM 402 OH TYR A 27 3.355 -10.427 -10.694 1.00 0.00 O ATOM 0 H TYR A 27 1.627 -8.904 -4.720 1.00 0.00 H new ATOM 0 HA TYR A 27 3.763 -10.926 -4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.680 -7.933 -5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.149 -8.888 -5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.087 -8.173 -6.972 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.742 -10.449 -6.804 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.786 -8.829 -9.350 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.426 -11.136 -9.170 1.00 0.00 H new ATOM 0 HH TYR A 27 4.089 -11.004 -10.992 1.00 0.00 H new ATOM 412 N TYR A 28 4.724 -10.312 -2.383 1.00 0.00 N ATOM 413 CA TYR A 28 5.308 -10.101 -1.082 1.00 0.00 C ATOM 414 C TYR A 28 6.686 -9.497 -1.305 1.00 0.00 C ATOM 415 O TYR A 28 7.463 -9.972 -2.146 1.00 0.00 O ATOM 416 CB TYR A 28 5.426 -11.436 -0.338 1.00 0.00 C ATOM 417 CG TYR A 28 6.257 -11.341 0.926 1.00 0.00 C ATOM 418 CD1 TYR A 28 5.989 -10.333 1.873 1.00 0.00 C ATOM 419 CD2 TYR A 28 7.352 -12.205 1.110 1.00 0.00 C ATOM 420 CE1 TYR A 28 6.803 -10.203 3.010 1.00 0.00 C ATOM 421 CE2 TYR A 28 8.170 -12.075 2.243 1.00 0.00 C ATOM 422 CZ TYR A 28 7.884 -11.088 3.212 1.00 0.00 C ATOM 423 OH TYR A 28 8.633 -11.018 4.347 1.00 0.00 O ATOM 0 H TYR A 28 5.207 -11.041 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 28 4.689 -9.437 -0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.428 -11.793 -0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.870 -12.177 -1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.157 -9.660 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 28 7.564 -12.970 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.602 -9.425 3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.019 -12.730 2.374 1.00 0.00 H new ATOM 0 HH TYR A 28 9.334 -11.703 4.319 1.00 0.00 H new ATOM 433 N ASP A 29 7.001 -8.481 -0.511 1.00 0.00 N ATOM 434 CA ASP A 29 8.062 -7.540 -0.744 1.00 0.00 C ATOM 435 C ASP A 29 9.055 -7.619 0.419 1.00 0.00 C ATOM 436 O ASP A 29 9.078 -6.741 1.286 1.00 0.00 O ATOM 437 CB ASP A 29 7.507 -6.125 -1.012 1.00 0.00 C ATOM 438 CG ASP A 29 6.096 -5.993 -1.608 1.00 0.00 C ATOM 439 OD1 ASP A 29 5.658 -6.849 -2.411 1.00 0.00 O ATOM 440 OD2 ASP A 29 5.457 -4.981 -1.262 1.00 0.00 O ATOM 0 H ASP A 29 6.492 -8.292 0.352 1.00 0.00 H new ATOM 0 HA ASP A 29 8.608 -7.796 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.521 -5.579 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.200 -5.619 -1.684 1.00 0.00 H new ATOM 445 N PRO A 30 9.938 -8.636 0.471 1.00 0.00 N ATOM 446 CA PRO A 30 10.873 -8.819 1.582 1.00 0.00 C ATOM 447 C PRO A 30 11.872 -7.669 1.733 1.00 0.00 C ATOM 448 O PRO A 30 12.557 -7.576 2.754 1.00 0.00 O ATOM 449 CB PRO A 30 11.623 -10.122 1.300 1.00 0.00 C ATOM 450 CG PRO A 30 11.431 -10.357 -0.197 1.00 0.00 C ATOM 451 CD PRO A 30 10.079 -9.715 -0.493 1.00 0.00 C ATOM 0 HA PRO A 30 10.315 -8.846 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.679 -10.036 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.219 -10.947 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.229 -9.897 -0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.431 -11.420 -0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.041 -9.336 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.271 -10.439 -0.391 1.00 0.00 H new ATOM 459 N GLN A 31 11.964 -6.780 0.739 1.00 0.00 N ATOM 460 CA GLN A 31 12.782 -5.583 0.803 1.00 0.00 C ATOM 461 C GLN A 31 12.303 -4.645 1.920 1.00 0.00 C ATOM 462 O GLN A 31 13.084 -3.801 2.364 1.00 0.00 O ATOM 463 CB GLN A 31 12.736 -4.860 -0.557 1.00 0.00 C ATOM 464 CG GLN A 31 13.606 -5.522 -1.641 1.00 0.00 C ATOM 465 CD GLN A 31 15.084 -5.160 -1.483 1.00 0.00 C ATOM 466 OE1 GLN A 31 15.542 -4.148 -2.009 1.00 0.00 O ATOM 467 NE2 GLN A 31 15.848 -5.946 -0.742 1.00 0.00 N ATOM 0 H GLN A 31 11.461 -6.881 -0.143 1.00 0.00 H new ATOM 0 HA GLN A 31 13.808 -5.872 1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.703 -4.824 -0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.063 -3.829 -0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.489 -6.605 -1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.259 -5.210 -2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.453 -6.783 -0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.832 -5.715 -0.601 1.00 0.00 H new ATOM 476 N THR A 32 11.057 -4.793 2.381 1.00 0.00 N ATOM 477 CA THR A 32 10.488 -3.993 3.455 1.00 0.00 C ATOM 478 C THR A 32 9.584 -4.784 4.403 1.00 0.00 C ATOM 479 O THR A 32 9.400 -4.361 5.548 1.00 0.00 O ATOM 480 CB THR A 32 9.692 -2.833 2.848 1.00 0.00 C ATOM 481 OG1 THR A 32 8.927 -3.259 1.736 1.00 0.00 O ATOM 482 CG2 THR A 32 10.618 -1.685 2.449 1.00 0.00 C ATOM 0 H THR A 32 10.409 -5.486 2.007 1.00 0.00 H new ATOM 0 HA THR A 32 11.325 -3.633 4.054 1.00 0.00 H new ATOM 0 HB THR A 32 9.004 -2.472 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.826 -2.516 1.105 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.029 -0.874 2.021 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.148 -1.322 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.339 -2.038 1.712 1.00 0.00 H new ATOM 490 N GLY A 33 9.015 -5.905 3.958 1.00 0.00 N ATOM 491 CA GLY A 33 7.931 -6.562 4.662 1.00 0.00 C ATOM 492 C GLY A 33 6.612 -5.839 4.379 1.00 0.00 C ATOM 493 O GLY A 33 5.822 -5.572 5.291 1.00 0.00 O ATOM 0 H GLY A 33 9.298 -6.377 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.860 -7.603 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.131 -6.566 5.733 1.00 0.00 H new ATOM 497 N LEU A 34 6.387 -5.471 3.118 1.00 0.00 N ATOM 498 CA LEU A 34 5.090 -5.049 2.593 1.00 0.00 C ATOM 499 C LEU A 34 4.602 -6.117 1.611 1.00 0.00 C ATOM 500 O LEU A 34 5.287 -7.120 1.391 1.00 0.00 O ATOM 501 CB LEU A 34 5.198 -3.674 1.910 1.00 0.00 C ATOM 502 CG LEU A 34 5.771 -2.558 2.802 1.00 0.00 C ATOM 503 CD1 LEU A 34 6.094 -1.325 1.958 1.00 0.00 C ATOM 504 CD2 LEU A 34 4.789 -2.170 3.909 1.00 0.00 C ATOM 0 H LEU A 34 7.124 -5.458 2.413 1.00 0.00 H new ATOM 0 HA LEU A 34 4.373 -4.945 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.826 -3.771 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.208 -3.375 1.567 1.00 0.00 H new ATOM 0 HG LEU A 34 6.682 -2.938 3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.499 -0.541 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.829 -1.587 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.185 -0.966 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.224 -1.380 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.860 -1.814 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.582 -3.039 4.533 1.00 0.00 H new ATOM 516 N TYR A 35 3.413 -5.910 1.055 1.00 0.00 N ATOM 517 CA TYR A 35 2.896 -6.633 -0.093 1.00 0.00 C ATOM 518 C TYR A 35 2.541 -5.603 -1.167 1.00 0.00 C ATOM 519 O TYR A 35 2.163 -4.476 -0.834 1.00 0.00 O ATOM 520 CB TYR A 35 1.642 -7.421 0.313 1.00 0.00 C ATOM 521 CG TYR A 35 1.928 -8.679 1.099 1.00 0.00 C ATOM 522 CD1 TYR A 35 2.328 -8.608 2.444 1.00 0.00 C ATOM 523 CD2 TYR A 35 1.836 -9.926 0.461 1.00 0.00 C ATOM 524 CE1 TYR A 35 2.694 -9.776 3.129 1.00 0.00 C ATOM 525 CE2 TYR A 35 2.203 -11.097 1.134 1.00 0.00 C ATOM 526 CZ TYR A 35 2.665 -11.024 2.467 1.00 0.00 C ATOM 527 OH TYR A 35 3.094 -12.132 3.133 1.00 0.00 O ATOM 0 H TYR A 35 2.762 -5.208 1.407 1.00 0.00 H new ATOM 0 HA TYR A 35 3.637 -7.337 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.997 -6.774 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.086 -7.686 -0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.354 -7.654 2.950 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.479 -9.982 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.998 -9.721 4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.133 -12.053 0.636 1.00 0.00 H new ATOM 0 HH TYR A 35 3.014 -12.916 2.550 1.00 0.00 H new ATOM 537 N TYR A 36 2.545 -6.004 -2.433 1.00 0.00 N ATOM 538 CA TYR A 36 2.270 -5.158 -3.588 1.00 0.00 C ATOM 539 C TYR A 36 1.243 -5.851 -4.493 1.00 0.00 C ATOM 540 O TYR A 36 1.139 -7.083 -4.496 1.00 0.00 O ATOM 541 CB TYR A 36 3.610 -4.895 -4.289 1.00 0.00 C ATOM 542 CG TYR A 36 3.507 -4.280 -5.667 1.00 0.00 C ATOM 543 CD1 TYR A 36 3.345 -5.116 -6.785 1.00 0.00 C ATOM 544 CD2 TYR A 36 3.562 -2.886 -5.834 1.00 0.00 C ATOM 545 CE1 TYR A 36 3.240 -4.568 -8.071 1.00 0.00 C ATOM 546 CE2 TYR A 36 3.514 -2.327 -7.127 1.00 0.00 C ATOM 547 CZ TYR A 36 3.359 -3.176 -8.251 1.00 0.00 C ATOM 548 OH TYR A 36 3.324 -2.676 -9.518 1.00 0.00 O ATOM 0 H TYR A 36 2.749 -6.969 -2.694 1.00 0.00 H new ATOM 0 HA TYR A 36 1.833 -4.200 -3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.208 -4.237 -3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 36 4.151 -5.838 -4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.301 -6.187 -6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.641 -2.242 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.068 -5.211 -8.921 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.595 -1.258 -7.260 1.00 0.00 H new ATOM 0 HH TYR A 36 2.769 -3.254 -10.083 1.00 0.00 H new ATOM 558 N ASP A 37 0.510 -5.077 -5.302 1.00 0.00 N ATOM 559 CA ASP A 37 -0.440 -5.602 -6.287 1.00 0.00 C ATOM 560 C ASP A 37 -0.150 -5.013 -7.676 1.00 0.00 C ATOM 561 O ASP A 37 0.200 -3.834 -7.797 1.00 0.00 O ATOM 562 CB ASP A 37 -1.863 -5.236 -5.873 1.00 0.00 C ATOM 563 CG ASP A 37 -2.923 -5.709 -6.872 1.00 0.00 C ATOM 564 OD1 ASP A 37 -3.261 -6.910 -6.911 1.00 0.00 O ATOM 565 OD2 ASP A 37 -3.371 -4.864 -7.681 1.00 0.00 O ATOM 0 H ASP A 37 0.561 -4.058 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.335 -6.686 -6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.074 -5.672 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.935 -4.154 -5.762 1.00 0.00 H new ATOM 570 N PRO A 38 -0.326 -5.787 -8.757 1.00 0.00 N ATOM 571 CA PRO A 38 -0.012 -5.341 -10.111 1.00 0.00 C ATOM 572 C PRO A 38 -1.024 -4.340 -10.685 1.00 0.00 C ATOM 573 O PRO A 38 -0.632 -3.453 -11.455 1.00 0.00 O ATOM 574 CB PRO A 38 0.063 -6.625 -10.949 1.00 0.00 C ATOM 575 CG PRO A 38 -0.834 -7.593 -10.174 1.00 0.00 C ATOM 576 CD PRO A 38 -0.556 -7.218 -8.738 1.00 0.00 C ATOM 0 HA PRO A 38 0.925 -4.785 -10.120 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.298 -6.466 -11.965 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.085 -6.997 -11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.886 -7.465 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.580 -8.633 -10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.398 -7.473 -8.094 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.313 -7.751 -8.353 1.00 0.00 H new ATOM 584 N ASN A 39 -2.307 -4.422 -10.318 1.00 0.00 N ATOM 585 CA ASN A 39 -3.279 -3.385 -10.660 1.00 0.00 C ATOM 586 C ASN A 39 -3.070 -2.162 -9.770 1.00 0.00 C ATOM 587 O ASN A 39 -3.348 -1.042 -10.193 1.00 0.00 O ATOM 588 CB ASN A 39 -4.716 -3.911 -10.488 1.00 0.00 C ATOM 589 CG ASN A 39 -5.283 -4.430 -11.795 1.00 0.00 C ATOM 590 OD1 ASN A 39 -5.519 -3.662 -12.721 1.00 0.00 O ATOM 591 ND2 ASN A 39 -5.463 -5.730 -11.933 1.00 0.00 N ATOM 0 H ASN A 39 -2.695 -5.199 -9.783 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.131 -3.104 -11.703 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.725 -4.709 -9.745 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.353 -3.113 -10.107 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.802 -6.107 -12.818 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.263 -6.358 -11.155 1.00 0.00 H new ATOM 598 N SER A 40 -2.581 -2.374 -8.548 1.00 0.00 N ATOM 599 CA SER A 40 -2.738 -1.446 -7.440 1.00 0.00 C ATOM 600 C SER A 40 -1.381 -1.179 -6.791 1.00 0.00 C ATOM 601 O SER A 40 -0.979 -1.840 -5.838 1.00 0.00 O ATOM 602 CB SER A 40 -3.785 -1.979 -6.444 1.00 0.00 C ATOM 603 OG SER A 40 -4.797 -2.758 -7.069 1.00 0.00 O ATOM 0 H SER A 40 -2.056 -3.213 -8.301 1.00 0.00 H new ATOM 0 HA SER A 40 -3.112 -0.490 -7.805 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.285 -2.583 -5.687 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.248 -1.139 -5.927 1.00 0.00 H new ATOM 0 HG SER A 40 -4.420 -3.616 -7.355 1.00 0.00 H new ATOM 609 N GLN A 41 -0.668 -0.164 -7.278 1.00 0.00 N ATOM 610 CA GLN A 41 0.674 0.207 -6.814 1.00 0.00 C ATOM 611 C GLN A 41 0.679 0.770 -5.370 1.00 0.00 C ATOM 612 O GLN A 41 1.686 1.317 -4.914 1.00 0.00 O ATOM 613 CB GLN A 41 1.315 1.170 -7.823 1.00 0.00 C ATOM 614 CG GLN A 41 1.797 0.502 -9.121 1.00 0.00 C ATOM 615 CD GLN A 41 0.739 -0.218 -9.961 1.00 0.00 C ATOM 616 OE1 GLN A 41 0.130 0.349 -10.868 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.508 -1.498 -9.721 1.00 0.00 N ATOM 0 H GLN A 41 -1.013 0.439 -8.024 1.00 0.00 H new ATOM 0 HA GLN A 41 1.279 -0.698 -6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.593 1.946 -8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.162 1.665 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.263 1.266 -9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.574 -0.218 -8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.009 -1.975 -8.971 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.171 -2.008 -10.286 1.00 0.00 H new ATOM 626 N TYR A 42 -0.439 0.672 -4.651 1.00 0.00 N ATOM 627 CA TYR A 42 -0.584 0.953 -3.235 1.00 0.00 C ATOM 628 C TYR A 42 -0.108 -0.290 -2.483 1.00 0.00 C ATOM 629 O TYR A 42 -0.745 -1.346 -2.562 1.00 0.00 O ATOM 630 CB TYR A 42 -2.058 1.277 -2.931 1.00 0.00 C ATOM 631 CG TYR A 42 -2.620 2.361 -3.822 1.00 0.00 C ATOM 632 CD1 TYR A 42 -2.244 3.696 -3.610 1.00 0.00 C ATOM 633 CD2 TYR A 42 -3.464 2.033 -4.898 1.00 0.00 C ATOM 634 CE1 TYR A 42 -2.751 4.718 -4.424 1.00 0.00 C ATOM 635 CE2 TYR A 42 -3.933 3.044 -5.752 1.00 0.00 C ATOM 636 CZ TYR A 42 -3.589 4.392 -5.513 1.00 0.00 C ATOM 637 OH TYR A 42 -4.076 5.364 -6.328 1.00 0.00 O ATOM 0 H TYR A 42 -1.318 0.375 -5.074 1.00 0.00 H new ATOM 0 HA TYR A 42 0.007 1.815 -2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.655 0.372 -3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.149 1.587 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.558 3.938 -2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.751 1.006 -5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.502 5.749 -4.220 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.559 2.789 -6.594 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.633 4.958 -7.024 1.00 0.00 H new ATOM 647 N TYR A 43 1.002 -0.186 -1.759 1.00 0.00 N ATOM 648 CA TYR A 43 1.609 -1.288 -1.027 1.00 0.00 C ATOM 649 C TYR A 43 0.858 -1.560 0.279 1.00 0.00 C ATOM 650 O TYR A 43 0.730 -0.675 1.128 1.00 0.00 O ATOM 651 CB TYR A 43 3.046 -0.938 -0.670 1.00 0.00 C ATOM 652 CG TYR A 43 4.061 -1.020 -1.800 1.00 0.00 C ATOM 653 CD1 TYR A 43 4.064 -0.130 -2.897 1.00 0.00 C ATOM 654 CD2 TYR A 43 5.084 -1.970 -1.692 1.00 0.00 C ATOM 655 CE1 TYR A 43 5.113 -0.164 -3.838 1.00 0.00 C ATOM 656 CE2 TYR A 43 6.101 -2.050 -2.649 1.00 0.00 C ATOM 657 CZ TYR A 43 6.131 -1.142 -3.727 1.00 0.00 C ATOM 658 OH TYR A 43 7.143 -1.225 -4.638 1.00 0.00 O ATOM 0 H TYR A 43 1.516 0.690 -1.664 1.00 0.00 H new ATOM 0 HA TYR A 43 1.569 -2.171 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.062 0.075 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.371 -1.602 0.131 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.259 0.580 -3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.088 -2.653 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.140 0.555 -4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.865 -2.809 -2.562 1.00 0.00 H new ATOM 0 HH TYR A 43 7.745 -1.958 -4.392 1.00 0.00 H new ATOM 668 N TYR A 44 0.410 -2.798 0.460 1.00 0.00 N ATOM 669 CA TYR A 44 -0.303 -3.265 1.634 1.00 0.00 C ATOM 670 C TYR A 44 0.699 -3.488 2.769 1.00 0.00 C ATOM 671 O TYR A 44 1.622 -4.301 2.685 1.00 0.00 O ATOM 672 CB TYR A 44 -1.098 -4.523 1.274 1.00 0.00 C ATOM 673 CG TYR A 44 -1.870 -5.146 2.408 1.00 0.00 C ATOM 674 CD1 TYR A 44 -3.070 -4.543 2.818 1.00 0.00 C ATOM 675 CD2 TYR A 44 -1.384 -6.286 3.067 1.00 0.00 C ATOM 676 CE1 TYR A 44 -3.842 -5.118 3.848 1.00 0.00 C ATOM 677 CE2 TYR A 44 -2.127 -6.860 4.110 1.00 0.00 C ATOM 678 CZ TYR A 44 -3.367 -6.289 4.477 1.00 0.00 C ATOM 679 OH TYR A 44 -4.032 -6.759 5.552 1.00 0.00 O ATOM 0 H TYR A 44 0.541 -3.530 -0.238 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.023 -2.524 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.796 -4.275 0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.408 -5.266 0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.404 -3.633 2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.440 -6.720 2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.778 -4.672 4.150 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.754 -7.731 4.628 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.592 -7.571 5.880 1.00 0.00 H new ATOM 689 N ASN A 45 0.518 -2.752 3.858 1.00 0.00 N ATOM 690 CA ASN A 45 1.367 -2.776 5.048 1.00 0.00 C ATOM 691 C ASN A 45 0.842 -3.805 6.024 1.00 0.00 C ATOM 692 O ASN A 45 0.059 -3.485 6.924 1.00 0.00 O ATOM 693 CB ASN A 45 1.447 -1.409 5.721 1.00 0.00 C ATOM 694 CG ASN A 45 2.221 -1.471 7.024 1.00 0.00 C ATOM 695 OD1 ASN A 45 3.295 -2.060 7.089 1.00 0.00 O ATOM 696 ND2 ASN A 45 1.700 -0.881 8.087 1.00 0.00 N ATOM 0 H ASN A 45 -0.256 -2.093 3.942 1.00 0.00 H new ATOM 0 HA ASN A 45 2.376 -3.043 4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.925 -0.699 5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.440 -1.038 5.913 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.192 -0.911 8.980 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.806 -0.396 8.014 1.00 0.00 H new ATOM 703 N ALA A 46 1.227 -5.058 5.821 1.00 0.00 N ATOM 704 CA ALA A 46 0.714 -6.191 6.581 1.00 0.00 C ATOM 705 C ALA A 46 0.827 -6.035 8.107 1.00 0.00 C ATOM 706 O ALA A 46 -0.008 -6.578 8.828 1.00 0.00 O ATOM 707 CB ALA A 46 1.462 -7.436 6.108 1.00 0.00 C ATOM 0 H ALA A 46 1.914 -5.320 5.114 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.357 -6.266 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.103 -8.307 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.288 -7.582 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.530 -7.309 6.287 1.00 0.00 H new ATOM 713 N GLN A 47 1.792 -5.234 8.580 1.00 0.00 N ATOM 714 CA GLN A 47 2.037 -4.928 9.984 1.00 0.00 C ATOM 715 C GLN A 47 0.735 -4.436 10.624 1.00 0.00 C ATOM 716 O GLN A 47 0.134 -5.131 11.450 1.00 0.00 O ATOM 717 CB GLN A 47 3.190 -3.892 10.089 1.00 0.00 C ATOM 718 CG GLN A 47 4.295 -4.381 11.035 1.00 0.00 C ATOM 719 CD GLN A 47 5.524 -3.458 11.147 1.00 0.00 C ATOM 720 OE1 GLN A 47 6.578 -3.865 11.629 1.00 0.00 O ATOM 721 NE2 GLN A 47 5.451 -2.187 10.782 1.00 0.00 N ATOM 0 H GLN A 47 2.450 -4.763 7.959 1.00 0.00 H new ATOM 0 HA GLN A 47 2.352 -5.817 10.530 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.610 -3.710 9.100 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.796 -2.941 10.448 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.868 -4.511 12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.628 -5.363 10.700 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.589 -1.821 10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.257 -1.574 10.904 1.00 0.00 H new ATOM 730 N SER A 48 0.262 -3.271 10.174 1.00 0.00 N ATOM 731 CA SER A 48 -0.850 -2.539 10.764 1.00 0.00 C ATOM 732 C SER A 48 -2.058 -2.511 9.823 1.00 0.00 C ATOM 733 O SER A 48 -2.869 -1.597 9.906 1.00 0.00 O ATOM 734 CB SER A 48 -0.395 -1.133 11.144 1.00 0.00 C ATOM 735 OG SER A 48 0.764 -1.190 11.970 1.00 0.00 O ATOM 0 H SER A 48 0.659 -2.800 9.361 1.00 0.00 H new ATOM 0 HA SER A 48 -1.171 -3.053 11.670 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.179 -0.558 10.243 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.197 -0.614 11.668 1.00 0.00 H new ATOM 0 HG SER A 48 1.044 -0.280 12.204 1.00 0.00 H new ATOM 741 N GLN A 49 -2.163 -3.460 8.883 1.00 0.00 N ATOM 742 CA GLN A 49 -3.224 -3.584 7.875 1.00 0.00 C ATOM 743 C GLN A 49 -3.582 -2.236 7.190 1.00 0.00 C ATOM 744 O GLN A 49 -4.747 -1.993 6.859 1.00 0.00 O ATOM 745 CB GLN A 49 -4.413 -4.453 8.320 1.00 0.00 C ATOM 746 CG GLN A 49 -4.779 -4.212 9.768 1.00 0.00 C ATOM 747 CD GLN A 49 -6.147 -4.745 10.151 1.00 0.00 C ATOM 748 OE1 GLN A 49 -7.155 -4.111 9.833 1.00 0.00 O ATOM 749 NE2 GLN A 49 -6.196 -5.862 10.862 1.00 0.00 N ATOM 0 H GLN A 49 -1.470 -4.204 8.801 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.797 -4.172 7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.275 -4.240 7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.166 -5.505 8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.027 -4.677 10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.748 -3.141 9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.334 -6.352 11.101 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.095 -6.231 11.170 1.00 0.00 H new ATOM 758 N GLN A 50 -2.584 -1.357 6.997 1.00 0.00 N ATOM 759 CA GLN A 50 -2.691 -0.044 6.353 1.00 0.00 C ATOM 760 C GLN A 50 -2.276 -0.085 4.880 1.00 0.00 C ATOM 761 O GLN A 50 -1.406 -0.850 4.482 1.00 0.00 O ATOM 762 CB GLN A 50 -1.805 0.979 7.096 1.00 0.00 C ATOM 763 CG GLN A 50 -2.276 1.431 8.485 1.00 0.00 C ATOM 764 CD GLN A 50 -3.792 1.577 8.589 1.00 0.00 C ATOM 765 OE1 GLN A 50 -4.385 2.637 8.388 1.00 0.00 O ATOM 766 NE2 GLN A 50 -4.453 0.477 8.872 1.00 0.00 N ATOM 0 H GLN A 50 -1.632 -1.557 7.304 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.739 0.252 6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.808 0.551 7.199 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.709 1.864 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.935 0.711 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.808 2.385 8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.948 -0.394 9.036 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.471 0.494 8.928 1.00 0.00 H new ATOM 775 N TYR A 51 -2.819 0.813 4.064 1.00 0.00 N ATOM 776 CA TYR A 51 -2.380 0.965 2.669 1.00 0.00 C ATOM 777 C TYR A 51 -1.351 2.083 2.599 1.00 0.00 C ATOM 778 O TYR A 51 -1.535 3.111 3.259 1.00 0.00 O ATOM 779 CB TYR A 51 -3.569 1.309 1.759 1.00 0.00 C ATOM 780 CG TYR A 51 -4.501 0.185 1.313 1.00 0.00 C ATOM 781 CD1 TYR A 51 -4.788 -0.928 2.132 1.00 0.00 C ATOM 782 CD2 TYR A 51 -5.086 0.256 0.030 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.686 -1.920 1.700 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.023 -0.710 -0.389 1.00 0.00 C ATOM 785 CZ TYR A 51 -6.359 -1.784 0.465 1.00 0.00 C ATOM 786 OH TYR A 51 -7.249 -2.739 0.079 1.00 0.00 O ATOM 0 H TYR A 51 -3.566 1.451 4.340 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.945 0.025 2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.174 2.055 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.172 1.784 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.314 -1.018 3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.812 1.059 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.862 -2.790 2.315 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.484 -0.629 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.628 -2.500 -0.793 1.00 0.00 H new ATOM 796 N LEU A 52 -0.293 1.907 1.801 1.00 0.00 N ATOM 797 CA LEU A 52 0.844 2.816 1.640 1.00 0.00 C ATOM 798 C LEU A 52 1.124 3.056 0.157 1.00 0.00 C ATOM 799 O LEU A 52 0.527 2.403 -0.694 1.00 0.00 O ATOM 800 CB LEU A 52 2.118 2.279 2.318 1.00 0.00 C ATOM 801 CG LEU A 52 1.973 1.807 3.774 1.00 0.00 C ATOM 802 CD1 LEU A 52 3.342 1.273 4.186 1.00 0.00 C ATOM 803 CD2 LEU A 52 1.523 2.890 4.762 1.00 0.00 C ATOM 0 H LEU A 52 -0.203 1.076 1.216 1.00 0.00 H new ATOM 0 HA LEU A 52 0.574 3.754 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.495 1.446 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.877 3.061 2.287 1.00 0.00 H new ATOM 0 HG LEU A 52 1.183 1.057 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.300 0.922 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.622 0.447 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.083 2.068 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.449 2.462 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.250 3.702 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.550 3.276 4.460 1.00 0.00 H new ATOM 815 N TYR A 53 2.055 3.952 -0.173 1.00 0.00 N ATOM 816 CA TYR A 53 2.601 4.106 -1.514 1.00 0.00 C ATOM 817 C TYR A 53 4.094 4.450 -1.446 1.00 0.00 C ATOM 818 O TYR A 53 4.554 5.072 -0.479 1.00 0.00 O ATOM 819 CB TYR A 53 1.763 5.117 -2.313 1.00 0.00 C ATOM 820 CG TYR A 53 1.736 6.570 -1.862 1.00 0.00 C ATOM 821 CD1 TYR A 53 0.945 6.988 -0.771 1.00 0.00 C ATOM 822 CD2 TYR A 53 2.402 7.537 -2.638 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.778 8.357 -0.498 1.00 0.00 C ATOM 824 CE2 TYR A 53 2.225 8.905 -2.381 1.00 0.00 C ATOM 825 CZ TYR A 53 1.378 9.321 -1.335 1.00 0.00 C ATOM 826 OH TYR A 53 1.147 10.641 -1.114 1.00 0.00 O ATOM 0 H TYR A 53 2.456 4.603 0.502 1.00 0.00 H new ATOM 0 HA TYR A 53 2.536 3.162 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.119 5.098 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.734 4.756 -2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.465 6.252 -0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.055 7.223 -3.439 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.191 8.670 0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.738 9.639 -2.985 1.00 0.00 H new ATOM 0 HH TYR A 53 1.634 11.174 -1.777 1.00 0.00 H new ATOM 836 N TRP A 54 4.847 4.011 -2.465 1.00 0.00 N ATOM 837 CA TRP A 54 6.295 4.167 -2.558 1.00 0.00 C ATOM 838 C TRP A 54 6.504 5.449 -3.339 1.00 0.00 C ATOM 839 O TRP A 54 6.479 5.443 -4.574 1.00 0.00 O ATOM 840 CB TRP A 54 6.981 2.957 -3.236 1.00 0.00 C ATOM 841 CG TRP A 54 8.415 3.182 -3.632 1.00 0.00 C ATOM 842 CD1 TRP A 54 8.876 3.224 -4.904 1.00 0.00 C ATOM 843 CD2 TRP A 54 9.565 3.500 -2.790 1.00 0.00 C ATOM 844 NE1 TRP A 54 10.220 3.541 -4.907 1.00 0.00 N ATOM 845 CE2 TRP A 54 10.701 3.713 -3.628 1.00 0.00 C ATOM 846 CE3 TRP A 54 9.761 3.665 -1.404 1.00 0.00 C ATOM 847 CZ2 TRP A 54 11.966 4.045 -3.118 1.00 0.00 C ATOM 848 CZ3 TRP A 54 11.027 3.979 -0.877 1.00 0.00 C ATOM 849 CH2 TRP A 54 12.133 4.160 -1.729 1.00 0.00 C ATOM 0 H TRP A 54 4.448 3.524 -3.268 1.00 0.00 H new ATOM 0 HA TRP A 54 6.752 4.215 -1.569 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.936 2.105 -2.557 1.00 0.00 H new ATOM 0 HB3 TRP A 54 6.412 2.686 -4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.281 3.037 -5.786 1.00 0.00 H new ATOM 0 HE1 TRP A 54 10.786 3.636 -5.751 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.923 3.548 -0.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.799 4.210 -3.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 11.152 4.082 0.191 1.00 0.00 H new ATOM 0 HH2 TRP A 54 13.105 4.386 -1.316 1.00 0.00 H new ATOM 860 N ASP A 55 6.639 6.569 -2.636 1.00 0.00 N ATOM 861 CA ASP A 55 6.793 7.849 -3.290 1.00 0.00 C ATOM 862 C ASP A 55 8.269 8.068 -3.560 1.00 0.00 C ATOM 863 O ASP A 55 9.027 8.500 -2.684 1.00 0.00 O ATOM 864 CB ASP A 55 6.189 8.994 -2.484 1.00 0.00 C ATOM 865 CG ASP A 55 6.307 10.297 -3.277 1.00 0.00 C ATOM 866 OD1 ASP A 55 6.444 10.246 -4.520 1.00 0.00 O ATOM 867 OD2 ASP A 55 6.191 11.369 -2.650 1.00 0.00 O ATOM 0 H ASP A 55 6.644 6.609 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 55 6.242 7.837 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.142 8.784 -2.263 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.704 9.090 -1.528 1.00 0.00 H new ATOM 872 N GLY A 56 8.687 7.742 -4.781 1.00 0.00 N ATOM 873 CA GLY A 56 10.053 7.904 -5.234 1.00 0.00 C ATOM 874 C GLY A 56 10.529 9.356 -5.166 1.00 0.00 C ATOM 875 O GLY A 56 11.740 9.577 -5.185 1.00 0.00 O ATOM 0 H GLY A 56 8.068 7.351 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.709 7.282 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.136 7.546 -6.260 1.00 0.00 H new ATOM 879 N GLU A 57 9.639 10.346 -5.023 1.00 0.00 N ATOM 880 CA GLU A 57 10.063 11.734 -4.855 1.00 0.00 C ATOM 881 C GLU A 57 10.779 11.906 -3.516 1.00 0.00 C ATOM 882 O GLU A 57 11.734 12.676 -3.404 1.00 0.00 O ATOM 883 CB GLU A 57 8.872 12.694 -4.937 1.00 0.00 C ATOM 884 CG GLU A 57 8.142 12.554 -6.276 1.00 0.00 C ATOM 885 CD GLU A 57 7.311 13.784 -6.606 1.00 0.00 C ATOM 886 OE1 GLU A 57 7.901 14.697 -7.232 1.00 0.00 O ATOM 887 OE2 GLU A 57 6.091 13.765 -6.319 1.00 0.00 O ATOM 0 H GLU A 57 8.628 10.209 -5.021 1.00 0.00 H new ATOM 0 HA GLU A 57 10.750 11.976 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.180 12.491 -4.119 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.219 13.720 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.870 12.385 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.495 11.677 -6.246 1.00 0.00 H new ATOM 894 N ARG A 58 10.337 11.174 -2.496 1.00 0.00 N ATOM 895 CA ARG A 58 10.839 11.234 -1.132 1.00 0.00 C ATOM 896 C ARG A 58 11.624 9.968 -0.767 1.00 0.00 C ATOM 897 O ARG A 58 12.210 9.920 0.309 1.00 0.00 O ATOM 898 CB ARG A 58 9.618 11.447 -0.223 1.00 0.00 C ATOM 899 CG ARG A 58 8.963 12.825 -0.424 1.00 0.00 C ATOM 900 CD ARG A 58 7.544 12.826 0.152 1.00 0.00 C ATOM 901 NE ARG A 58 7.137 14.064 0.838 1.00 0.00 N ATOM 902 CZ ARG A 58 6.002 14.169 1.548 1.00 0.00 C ATOM 903 NH1 ARG A 58 5.184 13.131 1.705 1.00 0.00 N ATOM 904 NH2 ARG A 58 5.690 15.305 2.162 1.00 0.00 N ATOM 0 H ARG A 58 9.585 10.493 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 58 11.546 12.054 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.883 10.667 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.922 11.342 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.562 13.595 0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.932 13.070 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.842 12.633 -0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.455 11.997 0.854 1.00 0.00 H new ATOM 0 HE ARG A 58 7.746 14.880 0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.414 12.232 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.327 13.235 2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.315 16.108 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.825 15.374 2.699 1.00 0.00 H new ATOM 918 N ARG A 59 11.670 8.960 -1.650 1.00 0.00 N ATOM 919 CA ARG A 59 12.274 7.642 -1.434 1.00 0.00 C ATOM 920 C ARG A 59 11.887 7.105 -0.060 1.00 0.00 C ATOM 921 O ARG A 59 12.738 6.683 0.729 1.00 0.00 O ATOM 922 CB ARG A 59 13.808 7.716 -1.611 1.00 0.00 C ATOM 923 CG ARG A 59 14.240 8.084 -3.031 1.00 0.00 C ATOM 924 CD ARG A 59 15.766 8.257 -3.139 1.00 0.00 C ATOM 925 NE ARG A 59 16.228 9.613 -2.764 1.00 0.00 N ATOM 926 CZ ARG A 59 17.502 10.029 -2.802 1.00 0.00 C ATOM 927 NH1 ARG A 59 18.504 9.168 -2.950 1.00 0.00 N ATOM 928 NH2 ARG A 59 17.798 11.316 -2.713 1.00 0.00 N ATOM 0 H ARG A 59 11.265 9.049 -2.582 1.00 0.00 H new ATOM 0 HA ARG A 59 11.892 6.946 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 59 14.211 8.451 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.244 6.753 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.913 7.308 -3.723 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.747 9.008 -3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 59 16.254 7.524 -2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 59 16.078 8.044 -4.162 1.00 0.00 H new ATOM 0 HE ARG A 59 15.523 10.282 -2.453 1.00 0.00 H new ATOM 0 HH11 ARG A 59 18.310 8.170 -3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 59 19.466 9.505 -2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.053 12.005 -2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.772 11.619 -2.743 1.00 0.00 H new ATOM 942 N THR A 60 10.596 7.154 0.240 1.00 0.00 N ATOM 943 CA THR A 60 10.069 6.737 1.517 1.00 0.00 C ATOM 944 C THR A 60 8.678 6.148 1.309 1.00 0.00 C ATOM 945 O THR A 60 8.158 6.124 0.189 1.00 0.00 O ATOM 946 CB THR A 60 10.097 7.938 2.464 1.00 0.00 C ATOM 947 OG1 THR A 60 10.043 7.443 3.777 1.00 0.00 O ATOM 948 CG2 THR A 60 8.957 8.942 2.259 1.00 0.00 C ATOM 0 H THR A 60 9.884 7.489 -0.409 1.00 0.00 H new ATOM 0 HA THR A 60 10.672 5.953 1.976 1.00 0.00 H new ATOM 0 HB THR A 60 11.013 8.490 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.061 8.191 4.410 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.059 9.759 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.000 9.340 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.000 8.443 2.412 1.00 0.00 H new ATOM 956 N TYR A 61 8.078 5.697 2.404 1.00 0.00 N ATOM 957 CA TYR A 61 6.741 5.139 2.421 1.00 0.00 C ATOM 958 C TYR A 61 5.830 6.118 3.134 1.00 0.00 C ATOM 959 O TYR A 61 6.167 6.644 4.205 1.00 0.00 O ATOM 960 CB TYR A 61 6.763 3.760 3.082 1.00 0.00 C ATOM 961 CG TYR A 61 7.614 2.772 2.306 1.00 0.00 C ATOM 962 CD1 TYR A 61 9.013 2.701 2.462 1.00 0.00 C ATOM 963 CD2 TYR A 61 6.985 1.973 1.345 1.00 0.00 C ATOM 964 CE1 TYR A 61 9.768 1.864 1.620 1.00 0.00 C ATOM 965 CE2 TYR A 61 7.731 1.131 0.503 1.00 0.00 C ATOM 966 CZ TYR A 61 9.131 1.082 0.630 1.00 0.00 C ATOM 967 OH TYR A 61 9.851 0.271 -0.191 1.00 0.00 O ATOM 0 H TYR A 61 8.521 5.712 3.322 1.00 0.00 H new ATOM 0 HA TYR A 61 6.360 4.992 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.148 3.851 4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.745 3.379 3.160 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.504 3.287 3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.910 2.004 1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.841 1.819 1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.232 0.524 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 61 9.246 -0.191 -0.808 1.00 0.00 H new ATOM 977 N VAL A 62 4.697 6.389 2.503 1.00 0.00 N ATOM 978 CA VAL A 62 3.624 7.227 3.007 1.00 0.00 C ATOM 979 C VAL A 62 2.317 6.437 2.964 1.00 0.00 C ATOM 980 O VAL A 62 2.189 5.548 2.122 1.00 0.00 O ATOM 981 CB VAL A 62 3.544 8.513 2.167 1.00 0.00 C ATOM 982 CG1 VAL A 62 4.431 9.598 2.777 1.00 0.00 C ATOM 983 CG2 VAL A 62 3.933 8.315 0.692 1.00 0.00 C ATOM 0 H VAL A 62 4.493 6.010 1.578 1.00 0.00 H new ATOM 0 HA VAL A 62 3.813 7.517 4.041 1.00 0.00 H new ATOM 0 HB VAL A 62 2.497 8.815 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.366 10.503 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.096 9.814 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.464 9.252 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.852 9.265 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.959 7.952 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.264 7.587 0.234 1.00 0.00 H new ATOM 993 N PRO A 63 1.325 6.756 3.809 1.00 0.00 N ATOM 994 CA PRO A 63 0.051 6.057 3.819 1.00 0.00 C ATOM 995 C PRO A 63 -0.819 6.478 2.629 1.00 0.00 C ATOM 996 O PRO A 63 -1.124 7.658 2.454 1.00 0.00 O ATOM 997 CB PRO A 63 -0.569 6.379 5.177 1.00 0.00 C ATOM 998 CG PRO A 63 -0.010 7.756 5.518 1.00 0.00 C ATOM 999 CD PRO A 63 1.382 7.733 4.886 1.00 0.00 C ATOM 0 HA PRO A 63 0.159 4.979 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.658 6.391 5.126 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.293 5.639 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.627 8.555 5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.039 7.915 6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.652 8.718 4.504 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.138 7.458 5.621 1.00 0.00 H new ATOM 1007 N ALA A 64 -1.250 5.506 1.820 1.00 0.00 N ATOM 1008 CA ALA A 64 -2.296 5.675 0.820 1.00 0.00 C ATOM 1009 C ALA A 64 -3.666 5.459 1.475 1.00 0.00 C ATOM 1010 O ALA A 64 -4.482 4.633 1.052 1.00 0.00 O ATOM 1011 CB ALA A 64 -2.097 4.752 -0.378 1.00 0.00 C ATOM 0 H ALA A 64 -0.870 4.560 1.847 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.243 6.693 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.900 4.912 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.138 4.969 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.111 3.714 -0.044 1.00 0.00 H new