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 18 TYR OH : rot -30:sc= 2.1 USER MOD Set 1.2: A 43 TYR OH : rot -162:sc= 1.06 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0.386 USER MOD Set 2.2: A 41 GLN : amide:sc= 0.95 K(o=1.3,f=0.72) USER MOD Set 3.1: A 32 THR OG1 : rot -150:sc= -0.0783 USER MOD Set 3.2: A 61 TYR OH : rot -59:sc= 0.00515 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.05 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=-0.00205 USER MOD Single : A 31 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.11) USER MOD Single : A 35 TYR OH : rot -146:sc= 0.417 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 75:sc= 1.3 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= -0.0584 K(o=-0.058,f=-1.4) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,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=-0.068) USER MOD Single : A 50 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.44) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 138:sc= 0.622 USER MOD Single : A 60 THR OG1 : rot 42:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 134 N TYR A 10 9.311 7.708 1.621 1.00 0.00 N ATOM 135 CA TYR A 10 9.782 6.330 1.743 1.00 0.00 C ATOM 136 C TYR A 10 11.188 6.159 1.148 1.00 0.00 C ATOM 137 O TYR A 10 11.581 6.945 0.280 1.00 0.00 O ATOM 138 CB TYR A 10 8.783 5.388 1.062 1.00 0.00 C ATOM 139 CG TYR A 10 7.565 5.079 1.906 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.589 3.982 2.789 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.414 5.883 1.819 1.00 0.00 C ATOM 142 CE1 TYR A 10 6.463 3.674 3.570 1.00 0.00 C ATOM 143 CE2 TYR A 10 5.280 5.569 2.585 1.00 0.00 C ATOM 144 CZ TYR A 10 5.303 4.470 3.471 1.00 0.00 C ATOM 145 OH TYR A 10 4.212 4.167 4.225 1.00 0.00 O ATOM 0 HA TYR A 10 9.850 6.079 2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.459 5.835 0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.288 4.455 0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.478 3.374 2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.403 6.741 1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.485 2.830 4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.387 6.170 2.496 1.00 0.00 H new ATOM 0 HH TYR A 10 3.498 4.812 4.041 1.00 0.00 H new ATOM 155 N PRO A 11 11.942 5.126 1.567 1.00 0.00 N ATOM 156 CA PRO A 11 13.250 4.770 1.015 1.00 0.00 C ATOM 157 C PRO A 11 13.135 4.134 -0.380 1.00 0.00 C ATOM 158 O PRO A 11 12.047 4.035 -0.942 1.00 0.00 O ATOM 159 CB PRO A 11 13.857 3.807 2.041 1.00 0.00 C ATOM 160 CG PRO A 11 12.653 3.153 2.709 1.00 0.00 C ATOM 161 CD PRO A 11 11.584 4.227 2.656 1.00 0.00 C ATOM 0 HA PRO A 11 13.879 5.647 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.496 3.066 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.474 4.337 2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.342 2.252 2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.875 2.859 3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.602 3.786 2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.532 4.767 3.601 1.00 0.00 H new ATOM 169 N VAL A 12 14.252 3.723 -0.975 1.00 0.00 N ATOM 170 CA VAL A 12 14.374 3.167 -2.323 1.00 0.00 C ATOM 171 C VAL A 12 14.731 1.681 -2.211 1.00 0.00 C ATOM 172 O VAL A 12 15.912 1.360 -2.061 1.00 0.00 O ATOM 173 CB VAL A 12 15.333 3.984 -3.212 1.00 0.00 C ATOM 174 CG1 VAL A 12 15.318 3.465 -4.657 1.00 0.00 C ATOM 175 CG2 VAL A 12 14.898 5.451 -3.227 1.00 0.00 C ATOM 0 H VAL A 12 15.153 3.772 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 12 13.418 3.241 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 12 16.338 3.884 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 12 16.003 4.058 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.631 2.421 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.310 3.547 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.578 6.026 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.885 5.526 -3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.920 5.848 -2.212 1.00 0.00 H new ATOM 185 N PRO A 13 13.746 0.773 -2.099 1.00 0.00 N ATOM 186 CA PRO A 13 14.008 -0.658 -2.171 1.00 0.00 C ATOM 187 C PRO A 13 14.467 -1.038 -3.593 1.00 0.00 C ATOM 188 O PRO A 13 14.237 -0.286 -4.551 1.00 0.00 O ATOM 189 CB PRO A 13 12.670 -1.291 -1.799 1.00 0.00 C ATOM 190 CG PRO A 13 11.656 -0.343 -2.432 1.00 0.00 C ATOM 191 CD PRO A 13 12.309 1.017 -2.191 1.00 0.00 C ATOM 0 HA PRO A 13 14.806 -0.996 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.578 -2.303 -2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.541 -1.358 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.513 -0.546 -3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.677 -0.416 -1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.083 1.706 -3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.933 1.472 -1.275 1.00 0.00 H new ATOM 199 N ASP A 14 15.091 -2.210 -3.745 1.00 0.00 N ATOM 200 CA ASP A 14 15.716 -2.630 -5.009 1.00 0.00 C ATOM 201 C ASP A 14 15.897 -4.160 -5.063 1.00 0.00 C ATOM 202 O ASP A 14 16.877 -4.670 -5.612 1.00 0.00 O ATOM 203 CB ASP A 14 17.097 -1.926 -5.059 1.00 0.00 C ATOM 204 CG ASP A 14 17.829 -2.018 -6.403 1.00 0.00 C ATOM 205 OD1 ASP A 14 17.273 -2.480 -7.427 1.00 0.00 O ATOM 206 OD2 ASP A 14 19.054 -1.738 -6.397 1.00 0.00 O ATOM 0 H ASP A 14 15.179 -2.897 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 14 15.090 -2.358 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.960 -0.874 -4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.734 -2.356 -4.286 1.00 0.00 H new ATOM 211 N VAL A 15 14.962 -4.886 -4.440 1.00 0.00 N ATOM 212 CA VAL A 15 14.885 -6.304 -4.025 1.00 0.00 C ATOM 213 C VAL A 15 16.151 -6.906 -3.358 1.00 0.00 C ATOM 214 O VAL A 15 16.086 -7.855 -2.582 1.00 0.00 O ATOM 215 CB VAL A 15 14.184 -7.170 -5.096 1.00 0.00 C ATOM 216 CG1 VAL A 15 14.849 -7.082 -6.475 1.00 0.00 C ATOM 217 CG2 VAL A 15 13.991 -8.642 -4.710 1.00 0.00 C ATOM 0 H VAL A 15 14.097 -4.417 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 15 14.225 -6.320 -3.158 1.00 0.00 H new ATOM 0 HB VAL A 15 13.191 -6.724 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.308 -7.713 -7.181 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.830 -6.049 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 15 15.882 -7.421 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 15 13.491 -9.169 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.963 -9.100 -4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 15 13.382 -8.705 -3.808 1.00 0.00 H new ATOM 227 N SER A 16 17.319 -6.333 -3.596 1.00 0.00 N ATOM 228 CA SER A 16 18.637 -6.769 -3.193 1.00 0.00 C ATOM 229 C SER A 16 18.852 -6.624 -1.689 1.00 0.00 C ATOM 230 O SER A 16 19.754 -7.260 -1.139 1.00 0.00 O ATOM 231 CB SER A 16 19.667 -5.969 -4.010 1.00 0.00 C ATOM 232 OG SER A 16 19.299 -4.609 -4.199 1.00 0.00 O ATOM 0 H SER A 16 17.367 -5.465 -4.130 1.00 0.00 H new ATOM 0 HA SER A 16 18.755 -7.833 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 16 20.632 -6.010 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.795 -6.442 -4.983 1.00 0.00 H new ATOM 0 HG SER A 16 19.991 -4.153 -4.722 1.00 0.00 H new ATOM 238 N THR A 17 18.048 -5.824 -0.990 1.00 0.00 N ATOM 239 CA THR A 17 18.129 -5.709 0.460 1.00 0.00 C ATOM 240 C THR A 17 17.257 -6.778 1.140 1.00 0.00 C ATOM 241 O THR A 17 17.369 -6.973 2.348 1.00 0.00 O ATOM 242 CB THR A 17 17.717 -4.291 0.892 1.00 0.00 C ATOM 243 OG1 THR A 17 16.323 -4.140 0.802 1.00 0.00 O ATOM 244 CG2 THR A 17 18.311 -3.164 0.032 1.00 0.00 C ATOM 0 H THR A 17 17.326 -5.241 -1.413 1.00 0.00 H new ATOM 0 HA THR A 17 19.158 -5.880 0.775 1.00 0.00 H new ATOM 0 HB THR A 17 18.097 -4.200 1.909 1.00 0.00 H new ATOM 0 HG1 THR A 17 16.073 -3.234 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 17 17.968 -2.200 0.408 1.00 0.00 H new ATOM 0 HG22 THR A 17 19.399 -3.205 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 17 17.988 -3.286 -1.002 1.00 0.00 H new ATOM 252 N TYR A 18 16.362 -7.438 0.391 1.00 0.00 N ATOM 253 CA TYR A 18 15.243 -8.148 0.978 1.00 0.00 C ATOM 254 C TYR A 18 15.705 -9.414 1.669 1.00 0.00 C ATOM 255 O TYR A 18 16.632 -10.106 1.236 1.00 0.00 O ATOM 256 CB TYR A 18 14.161 -8.462 -0.067 1.00 0.00 C ATOM 257 CG TYR A 18 13.359 -7.291 -0.595 1.00 0.00 C ATOM 258 CD1 TYR A 18 13.566 -5.982 -0.117 1.00 0.00 C ATOM 259 CD2 TYR A 18 12.389 -7.519 -1.592 1.00 0.00 C ATOM 260 CE1 TYR A 18 12.798 -4.928 -0.621 1.00 0.00 C ATOM 261 CE2 TYR A 18 11.612 -6.459 -2.091 1.00 0.00 C ATOM 262 CZ TYR A 18 11.771 -5.165 -1.549 1.00 0.00 C ATOM 263 OH TYR A 18 10.912 -4.156 -1.845 1.00 0.00 O ATOM 0 H TYR A 18 16.402 -7.488 -0.627 1.00 0.00 H new ATOM 0 HA TYR A 18 14.799 -7.492 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 18 14.639 -8.955 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 18 13.466 -9.180 0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.316 -5.793 0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.241 -8.517 -1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 18 12.997 -3.919 -0.292 1.00 0.00 H new ATOM 0 HE2 TYR A 18 10.899 -6.633 -2.883 1.00 0.00 H new ATOM 0 HH TYR A 18 10.816 -3.569 -1.066 1.00 0.00 H new ATOM 273 N GLN A 19 14.978 -9.753 2.721 1.00 0.00 N ATOM 274 CA GLN A 19 15.097 -11.019 3.414 1.00 0.00 C ATOM 275 C GLN A 19 14.168 -11.983 2.686 1.00 0.00 C ATOM 276 O GLN A 19 12.951 -11.921 2.843 1.00 0.00 O ATOM 277 CB GLN A 19 14.729 -10.850 4.898 1.00 0.00 C ATOM 278 CG GLN A 19 15.813 -10.035 5.617 1.00 0.00 C ATOM 279 CD GLN A 19 15.594 -9.884 7.124 1.00 0.00 C ATOM 280 OE1 GLN A 19 14.602 -9.335 7.594 1.00 0.00 O ATOM 281 NE2 GLN A 19 16.533 -10.339 7.939 1.00 0.00 N ATOM 0 H GLN A 19 14.272 -9.138 3.124 1.00 0.00 H new ATOM 0 HA GLN A 19 16.117 -11.404 3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 19 13.765 -10.348 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.624 -11.827 5.369 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.779 -10.510 5.448 1.00 0.00 H new ATOM 0 HG3 GLN A 19 15.863 -9.043 5.168 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.361 -10.797 7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.428 -10.232 8.948 1.00 0.00 H new ATOM 290 N TYR A 20 14.728 -12.852 1.845 1.00 0.00 N ATOM 291 CA TYR A 20 14.004 -14.054 1.464 1.00 0.00 C ATOM 292 C TYR A 20 13.701 -14.841 2.742 1.00 0.00 C ATOM 293 O TYR A 20 14.524 -14.857 3.659 1.00 0.00 O ATOM 294 CB TYR A 20 14.847 -14.853 0.476 1.00 0.00 C ATOM 295 CG TYR A 20 14.193 -16.133 0.010 1.00 0.00 C ATOM 296 CD1 TYR A 20 13.135 -16.078 -0.920 1.00 0.00 C ATOM 297 CD2 TYR A 20 14.654 -17.372 0.493 1.00 0.00 C ATOM 298 CE1 TYR A 20 12.558 -17.266 -1.401 1.00 0.00 C ATOM 299 CE2 TYR A 20 14.104 -18.557 -0.008 1.00 0.00 C ATOM 300 CZ TYR A 20 13.054 -18.510 -0.945 1.00 0.00 C ATOM 301 OH TYR A 20 12.494 -19.680 -1.351 1.00 0.00 O ATOM 0 H TYR A 20 15.653 -12.748 1.428 1.00 0.00 H new ATOM 0 HA TYR A 20 13.062 -13.821 0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.061 -14.229 -0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.804 -15.093 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 20 12.767 -15.122 -1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.428 -17.408 1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 20 11.745 -17.230 -2.111 1.00 0.00 H new ATOM 0 HE2 TYR A 20 14.486 -19.511 0.325 1.00 0.00 H new ATOM 0 HH TYR A 20 12.967 -20.431 -0.936 1.00 0.00 H new ATOM 311 N ASP A 21 12.529 -15.462 2.806 1.00 0.00 N ATOM 312 CA ASP A 21 12.022 -16.199 3.956 1.00 0.00 C ATOM 313 C ASP A 21 11.618 -17.557 3.397 1.00 0.00 C ATOM 314 O ASP A 21 10.485 -17.725 2.936 1.00 0.00 O ATOM 315 CB ASP A 21 10.846 -15.445 4.629 1.00 0.00 C ATOM 316 CG ASP A 21 11.139 -14.619 5.884 1.00 0.00 C ATOM 317 OD1 ASP A 21 12.297 -14.535 6.354 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.180 -14.023 6.436 1.00 0.00 O ATOM 0 H ASP A 21 11.877 -15.465 2.022 1.00 0.00 H new ATOM 0 HA ASP A 21 12.763 -16.309 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.410 -14.778 3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.083 -16.180 4.885 1.00 0.00 H new ATOM 323 N GLU A 22 12.548 -18.513 3.366 1.00 0.00 N ATOM 324 CA GLU A 22 12.388 -19.810 2.693 1.00 0.00 C ATOM 325 C GLU A 22 11.163 -20.604 3.167 1.00 0.00 C ATOM 326 O GLU A 22 10.606 -21.383 2.384 1.00 0.00 O ATOM 327 CB GLU A 22 13.651 -20.683 2.815 1.00 0.00 C ATOM 328 CG GLU A 22 14.345 -20.634 4.168 1.00 0.00 C ATOM 329 CD GLU A 22 15.105 -21.911 4.516 1.00 0.00 C ATOM 330 OE1 GLU A 22 14.489 -22.993 4.623 1.00 0.00 O ATOM 331 OE2 GLU A 22 16.340 -21.840 4.739 1.00 0.00 O ATOM 0 H GLU A 22 13.456 -18.408 3.818 1.00 0.00 H new ATOM 0 HA GLU A 22 12.226 -19.560 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.380 -21.717 2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.362 -20.374 2.049 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.040 -19.794 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.601 -20.443 4.941 1.00 0.00 H new ATOM 338 N THR A 23 10.737 -20.393 4.415 1.00 0.00 N ATOM 339 CA THR A 23 9.572 -21.007 5.038 1.00 0.00 C ATOM 340 C THR A 23 8.355 -20.967 4.098 1.00 0.00 C ATOM 341 O THR A 23 7.798 -22.021 3.779 1.00 0.00 O ATOM 342 CB THR A 23 9.374 -20.373 6.428 1.00 0.00 C ATOM 343 OG1 THR A 23 8.321 -20.981 7.143 1.00 0.00 O ATOM 344 CG2 THR A 23 9.168 -18.851 6.410 1.00 0.00 C ATOM 0 H THR A 23 11.223 -19.756 5.046 1.00 0.00 H new ATOM 0 HA THR A 23 9.721 -22.073 5.207 1.00 0.00 H new ATOM 0 HB THR A 23 10.318 -20.559 6.939 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.230 -20.551 8.019 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.037 -18.490 7.430 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.039 -18.371 5.964 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.281 -18.611 5.823 1.00 0.00 H new ATOM 352 N SER A 24 7.993 -19.792 3.572 1.00 0.00 N ATOM 353 CA SER A 24 7.001 -19.676 2.503 1.00 0.00 C ATOM 354 C SER A 24 7.677 -19.670 1.131 1.00 0.00 C ATOM 355 O SER A 24 7.149 -20.257 0.185 1.00 0.00 O ATOM 356 CB SER A 24 6.168 -18.402 2.656 1.00 0.00 C ATOM 357 OG SER A 24 5.550 -18.297 3.926 1.00 0.00 O ATOM 0 H SER A 24 8.379 -18.898 3.876 1.00 0.00 H new ATOM 0 HA SER A 24 6.343 -20.542 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.808 -17.534 2.496 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.401 -18.380 1.881 1.00 0.00 H new ATOM 0 HG SER A 24 5.033 -17.466 3.970 1.00 0.00 H new ATOM 363 N GLY A 25 8.861 -19.061 1.018 1.00 0.00 N ATOM 364 CA GLY A 25 9.541 -18.858 -0.247 1.00 0.00 C ATOM 365 C GLY A 25 8.949 -17.655 -0.971 1.00 0.00 C ATOM 366 O GLY A 25 8.428 -17.790 -2.073 1.00 0.00 O ATOM 0 H GLY A 25 9.374 -18.693 1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.606 -18.701 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.446 -19.749 -0.867 1.00 0.00 H new ATOM 370 N TYR A 26 8.997 -16.501 -0.310 1.00 0.00 N ATOM 371 CA TYR A 26 8.653 -15.149 -0.745 1.00 0.00 C ATOM 372 C TYR A 26 9.688 -14.215 -0.102 1.00 0.00 C ATOM 373 O TYR A 26 10.423 -14.634 0.805 1.00 0.00 O ATOM 374 CB TYR A 26 7.241 -14.765 -0.271 1.00 0.00 C ATOM 375 CG TYR A 26 6.125 -15.278 -1.151 1.00 0.00 C ATOM 376 CD1 TYR A 26 5.713 -16.617 -1.059 1.00 0.00 C ATOM 377 CD2 TYR A 26 5.512 -14.414 -2.073 1.00 0.00 C ATOM 378 CE1 TYR A 26 4.685 -17.094 -1.887 1.00 0.00 C ATOM 379 CE2 TYR A 26 4.428 -14.865 -2.850 1.00 0.00 C ATOM 380 CZ TYR A 26 4.013 -16.209 -2.755 1.00 0.00 C ATOM 381 OH TYR A 26 2.979 -16.666 -3.512 1.00 0.00 O ATOM 0 H TYR A 26 9.316 -16.490 0.659 1.00 0.00 H new ATOM 0 HA TYR A 26 8.662 -15.078 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.094 -15.146 0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.173 -13.679 -0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.187 -17.280 -0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.873 -13.402 -2.186 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.409 -18.138 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.917 -14.185 -3.515 1.00 0.00 H new ATOM 0 HH TYR A 26 2.622 -15.933 -4.055 1.00 0.00 H new ATOM 391 N TYR A 27 9.720 -12.943 -0.505 1.00 0.00 N ATOM 392 CA TYR A 27 10.641 -11.956 0.053 1.00 0.00 C ATOM 393 C TYR A 27 9.935 -11.056 1.057 1.00 0.00 C ATOM 394 O TYR A 27 8.762 -10.751 0.866 1.00 0.00 O ATOM 395 CB TYR A 27 11.183 -11.080 -1.072 1.00 0.00 C ATOM 396 CG TYR A 27 12.154 -11.784 -1.985 1.00 0.00 C ATOM 397 CD1 TYR A 27 11.687 -12.484 -3.112 1.00 0.00 C ATOM 398 CD2 TYR A 27 13.530 -11.732 -1.701 1.00 0.00 C ATOM 399 CE1 TYR A 27 12.599 -13.105 -3.980 1.00 0.00 C ATOM 400 CE2 TYR A 27 14.448 -12.324 -2.578 1.00 0.00 C ATOM 401 CZ TYR A 27 13.982 -13.006 -3.722 1.00 0.00 C ATOM 402 OH TYR A 27 14.876 -13.517 -4.603 1.00 0.00 O ATOM 0 H TYR A 27 9.106 -12.570 -1.229 1.00 0.00 H new ATOM 0 HA TYR A 27 11.447 -12.491 0.555 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.347 -10.709 -1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.675 -10.210 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.627 -12.544 -3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 27 13.879 -11.236 -0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.244 -13.655 -4.839 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.508 -12.259 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 27 15.786 -13.362 -4.273 1.00 0.00 H new ATOM 412 N TYR A 28 10.674 -10.552 2.039 1.00 0.00 N ATOM 413 CA TYR A 28 10.277 -9.588 3.046 1.00 0.00 C ATOM 414 C TYR A 28 11.182 -8.354 2.901 1.00 0.00 C ATOM 415 O TYR A 28 12.384 -8.483 2.653 1.00 0.00 O ATOM 416 CB TYR A 28 10.415 -10.254 4.424 1.00 0.00 C ATOM 417 CG TYR A 28 10.283 -9.299 5.587 1.00 0.00 C ATOM 418 CD1 TYR A 28 9.070 -8.635 5.834 1.00 0.00 C ATOM 419 CD2 TYR A 28 11.396 -9.033 6.397 1.00 0.00 C ATOM 420 CE1 TYR A 28 8.982 -7.680 6.862 1.00 0.00 C ATOM 421 CE2 TYR A 28 11.328 -8.063 7.402 1.00 0.00 C ATOM 422 CZ TYR A 28 10.133 -7.346 7.618 1.00 0.00 C ATOM 423 OH TYR A 28 10.110 -6.351 8.551 1.00 0.00 O ATOM 0 H TYR A 28 11.647 -10.834 2.156 1.00 0.00 H new ATOM 0 HA TYR A 28 9.242 -9.267 2.929 1.00 0.00 H new ATOM 0 HB2 TYR A 28 9.656 -11.031 4.518 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.385 -10.748 4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.202 -8.859 5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 28 12.313 -9.582 6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.038 -7.201 7.075 1.00 0.00 H new ATOM 0 HE2 TYR A 28 12.194 -7.862 8.015 1.00 0.00 H new ATOM 0 HH TYR A 28 10.994 -6.271 8.966 1.00 0.00 H new ATOM 433 N ASP A 29 10.609 -7.164 3.064 1.00 0.00 N ATOM 434 CA ASP A 29 11.235 -5.845 2.921 1.00 0.00 C ATOM 435 C ASP A 29 11.481 -5.232 4.300 1.00 0.00 C ATOM 436 O ASP A 29 10.608 -4.525 4.809 1.00 0.00 O ATOM 437 CB ASP A 29 10.374 -4.922 2.044 1.00 0.00 C ATOM 438 CG ASP A 29 11.029 -3.584 1.654 1.00 0.00 C ATOM 439 OD1 ASP A 29 11.948 -3.107 2.360 1.00 0.00 O ATOM 440 OD2 ASP A 29 10.639 -3.015 0.598 1.00 0.00 O ATOM 0 H ASP A 29 9.624 -7.087 3.318 1.00 0.00 H new ATOM 0 HA ASP A 29 12.197 -5.964 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.110 -5.458 1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.443 -4.712 2.571 1.00 0.00 H new ATOM 445 N PRO A 30 12.611 -5.515 4.974 1.00 0.00 N ATOM 446 CA PRO A 30 12.865 -5.030 6.332 1.00 0.00 C ATOM 447 C PRO A 30 12.926 -3.502 6.441 1.00 0.00 C ATOM 448 O PRO A 30 12.889 -2.961 7.545 1.00 0.00 O ATOM 449 CB PRO A 30 14.202 -5.650 6.749 1.00 0.00 C ATOM 450 CG PRO A 30 14.903 -5.942 5.424 1.00 0.00 C ATOM 451 CD PRO A 30 13.745 -6.284 4.488 1.00 0.00 C ATOM 0 HA PRO A 30 12.041 -5.321 6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.784 -4.966 7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.056 -6.559 7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.468 -5.080 5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.607 -6.770 5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.984 -6.022 3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.530 -7.352 4.504 1.00 0.00 H new ATOM 459 N GLN A 31 13.030 -2.798 5.314 1.00 0.00 N ATOM 460 CA GLN A 31 13.110 -1.350 5.262 1.00 0.00 C ATOM 461 C GLN A 31 11.748 -0.702 5.546 1.00 0.00 C ATOM 462 O GLN A 31 11.671 0.506 5.778 1.00 0.00 O ATOM 463 CB GLN A 31 13.601 -0.982 3.859 1.00 0.00 C ATOM 464 CG GLN A 31 14.531 0.230 3.809 1.00 0.00 C ATOM 465 CD GLN A 31 15.060 0.486 2.394 1.00 0.00 C ATOM 466 OE1 GLN A 31 16.242 0.750 2.202 1.00 0.00 O ATOM 467 NE2 GLN A 31 14.219 0.436 1.364 1.00 0.00 N ATOM 0 H GLN A 31 13.061 -3.235 4.393 1.00 0.00 H new ATOM 0 HA GLN A 31 13.794 -0.981 6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.121 -1.840 3.433 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.736 -0.786 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.997 1.112 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.370 0.072 4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.235 0.217 1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.558 0.617 0.419 1.00 0.00 H new ATOM 476 N THR A 32 10.664 -1.475 5.503 1.00 0.00 N ATOM 477 CA THR A 32 9.284 -1.006 5.586 1.00 0.00 C ATOM 478 C THR A 32 8.445 -1.967 6.419 1.00 0.00 C ATOM 479 O THR A 32 7.677 -1.543 7.284 1.00 0.00 O ATOM 480 CB THR A 32 8.705 -0.893 4.167 1.00 0.00 C ATOM 481 OG1 THR A 32 9.127 -1.973 3.352 1.00 0.00 O ATOM 482 CG2 THR A 32 9.069 0.441 3.512 1.00 0.00 C ATOM 0 H THR A 32 10.728 -2.488 5.405 1.00 0.00 H new ATOM 0 HA THR A 32 9.264 -0.029 6.068 1.00 0.00 H new ATOM 0 HB THR A 32 7.620 -0.936 4.262 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.177 -1.679 2.419 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.642 0.483 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.672 1.261 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.153 0.531 3.448 1.00 0.00 H new ATOM 490 N GLY A 33 8.584 -3.265 6.168 1.00 0.00 N ATOM 491 CA GLY A 33 7.796 -4.295 6.808 1.00 0.00 C ATOM 492 C GLY A 33 6.652 -4.709 5.894 1.00 0.00 C ATOM 493 O GLY A 33 5.504 -4.772 6.342 1.00 0.00 O ATOM 0 H GLY A 33 9.263 -3.630 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.423 -5.157 7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.402 -3.929 7.756 1.00 0.00 H new ATOM 497 N LEU A 34 6.950 -4.930 4.614 1.00 0.00 N ATOM 498 CA LEU A 34 6.068 -5.477 3.585 1.00 0.00 C ATOM 499 C LEU A 34 6.697 -6.781 3.082 1.00 0.00 C ATOM 500 O LEU A 34 7.826 -7.093 3.455 1.00 0.00 O ATOM 501 CB LEU A 34 5.955 -4.474 2.423 1.00 0.00 C ATOM 502 CG LEU A 34 5.373 -3.094 2.791 1.00 0.00 C ATOM 503 CD1 LEU A 34 5.884 -2.041 1.806 1.00 0.00 C ATOM 504 CD2 LEU A 34 3.840 -3.132 2.809 1.00 0.00 C ATOM 0 H LEU A 34 7.876 -4.717 4.244 1.00 0.00 H new ATOM 0 HA LEU A 34 5.072 -5.663 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.946 -4.328 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.333 -4.915 1.644 1.00 0.00 H new ATOM 0 HG LEU A 34 5.705 -2.828 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.471 -1.067 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.972 -1.998 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.573 -2.307 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.455 -2.147 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.471 -3.415 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.503 -3.861 3.546 1.00 0.00 H new ATOM 516 N TYR A 35 5.999 -7.533 2.233 1.00 0.00 N ATOM 517 CA TYR A 35 6.559 -8.659 1.490 1.00 0.00 C ATOM 518 C TYR A 35 6.468 -8.374 -0.014 1.00 0.00 C ATOM 519 O TYR A 35 5.789 -7.434 -0.448 1.00 0.00 O ATOM 520 CB TYR A 35 5.840 -9.965 1.852 1.00 0.00 C ATOM 521 CG TYR A 35 6.283 -10.650 3.131 1.00 0.00 C ATOM 522 CD1 TYR A 35 5.937 -10.114 4.383 1.00 0.00 C ATOM 523 CD2 TYR A 35 7.011 -11.854 3.069 1.00 0.00 C ATOM 524 CE1 TYR A 35 6.346 -10.755 5.566 1.00 0.00 C ATOM 525 CE2 TYR A 35 7.418 -12.510 4.242 1.00 0.00 C ATOM 526 CZ TYR A 35 7.103 -11.957 5.503 1.00 0.00 C ATOM 527 OH TYR A 35 7.530 -12.583 6.638 1.00 0.00 O ATOM 0 H TYR A 35 5.010 -7.373 2.039 1.00 0.00 H new ATOM 0 HA TYR A 35 7.608 -8.780 1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.773 -9.757 1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.970 -10.666 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.355 -9.206 4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.259 -12.278 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.084 -10.333 6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.971 -13.436 4.180 1.00 0.00 H new ATOM 0 HH TYR A 35 8.399 -13.004 6.472 1.00 0.00 H new ATOM 537 N TYR A 36 7.181 -9.155 -0.824 1.00 0.00 N ATOM 538 CA TYR A 36 7.264 -9.036 -2.277 1.00 0.00 C ATOM 539 C TYR A 36 7.351 -10.439 -2.907 1.00 0.00 C ATOM 540 O TYR A 36 7.757 -11.400 -2.243 1.00 0.00 O ATOM 541 CB TYR A 36 8.472 -8.142 -2.634 1.00 0.00 C ATOM 542 CG TYR A 36 8.831 -8.061 -4.108 1.00 0.00 C ATOM 543 CD1 TYR A 36 8.171 -7.145 -4.950 1.00 0.00 C ATOM 544 CD2 TYR A 36 9.833 -8.902 -4.632 1.00 0.00 C ATOM 545 CE1 TYR A 36 8.502 -7.068 -6.315 1.00 0.00 C ATOM 546 CE2 TYR A 36 10.170 -8.835 -5.993 1.00 0.00 C ATOM 547 CZ TYR A 36 9.494 -7.929 -6.840 1.00 0.00 C ATOM 548 OH TYR A 36 9.794 -7.877 -8.166 1.00 0.00 O ATOM 0 H TYR A 36 7.744 -9.926 -0.466 1.00 0.00 H new ATOM 0 HA TYR A 36 6.370 -8.563 -2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.270 -7.133 -2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.342 -8.507 -2.088 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.407 -6.498 -4.545 1.00 0.00 H new ATOM 0 HD2 TYR A 36 10.343 -9.600 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.003 -6.357 -6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.944 -9.474 -6.391 1.00 0.00 H new ATOM 0 HH TYR A 36 10.496 -8.530 -8.368 1.00 0.00 H new ATOM 558 N ASP A 37 7.001 -10.568 -4.190 1.00 0.00 N ATOM 559 CA ASP A 37 7.113 -11.796 -4.981 1.00 0.00 C ATOM 560 C ASP A 37 7.797 -11.517 -6.330 1.00 0.00 C ATOM 561 O ASP A 37 7.513 -10.497 -6.957 1.00 0.00 O ATOM 562 CB ASP A 37 5.715 -12.352 -5.269 1.00 0.00 C ATOM 563 CG ASP A 37 5.776 -13.649 -6.084 1.00 0.00 C ATOM 564 OD1 ASP A 37 6.040 -14.737 -5.541 1.00 0.00 O ATOM 565 OD2 ASP A 37 5.585 -13.576 -7.317 1.00 0.00 O ATOM 0 H ASP A 37 6.617 -9.790 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 37 7.705 -12.511 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.197 -12.538 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.133 -11.608 -5.812 1.00 0.00 H new ATOM 570 N PRO A 38 8.624 -12.439 -6.850 1.00 0.00 N ATOM 571 CA PRO A 38 9.350 -12.254 -8.103 1.00 0.00 C ATOM 572 C PRO A 38 8.479 -12.372 -9.363 1.00 0.00 C ATOM 573 O PRO A 38 8.736 -11.670 -10.339 1.00 0.00 O ATOM 574 CB PRO A 38 10.458 -13.318 -8.092 1.00 0.00 C ATOM 575 CG PRO A 38 9.888 -14.402 -7.176 1.00 0.00 C ATOM 576 CD PRO A 38 9.167 -13.575 -6.131 1.00 0.00 C ATOM 0 HA PRO A 38 9.739 -11.237 -8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.660 -13.701 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.397 -12.919 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.211 -15.071 -7.707 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.671 -15.021 -6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.376 -14.151 -5.651 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.850 -13.253 -5.345 1.00 0.00 H new ATOM 584 N ASN A 39 7.463 -13.242 -9.397 1.00 0.00 N ATOM 585 CA ASN A 39 6.533 -13.316 -10.524 1.00 0.00 C ATOM 586 C ASN A 39 5.527 -12.158 -10.479 1.00 0.00 C ATOM 587 O ASN A 39 4.915 -11.816 -11.496 1.00 0.00 O ATOM 588 CB ASN A 39 5.755 -14.639 -10.467 1.00 0.00 C ATOM 589 CG ASN A 39 6.448 -15.797 -11.167 1.00 0.00 C ATOM 590 OD1 ASN A 39 6.242 -16.035 -12.353 1.00 0.00 O ATOM 591 ND2 ASN A 39 7.252 -16.563 -10.452 1.00 0.00 N ATOM 0 H ASN A 39 7.265 -13.908 -8.650 1.00 0.00 H new ATOM 0 HA ASN A 39 7.113 -13.254 -11.445 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.589 -14.906 -9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.774 -14.491 -10.918 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.711 -17.364 -10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.414 -16.353 -9.467 1.00 0.00 H new ATOM 598 N SER A 40 5.308 -11.592 -9.291 1.00 0.00 N ATOM 599 CA SER A 40 4.117 -10.826 -8.959 1.00 0.00 C ATOM 600 C SER A 40 4.535 -9.555 -8.231 1.00 0.00 C ATOM 601 O SER A 40 4.538 -9.504 -7.007 1.00 0.00 O ATOM 602 CB SER A 40 3.137 -11.683 -8.135 1.00 0.00 C ATOM 603 OG SER A 40 3.273 -13.061 -8.422 1.00 0.00 O ATOM 0 H SER A 40 5.972 -11.658 -8.519 1.00 0.00 H new ATOM 0 HA SER A 40 3.588 -10.538 -9.867 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.312 -11.514 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.115 -11.368 -8.344 1.00 0.00 H new ATOM 0 HG SER A 40 4.089 -13.404 -8.001 1.00 0.00 H new ATOM 609 N GLN A 41 4.859 -8.500 -8.970 1.00 0.00 N ATOM 610 CA GLN A 41 5.361 -7.230 -8.434 1.00 0.00 C ATOM 611 C GLN A 41 4.360 -6.494 -7.513 1.00 0.00 C ATOM 612 O GLN A 41 4.648 -5.394 -7.047 1.00 0.00 O ATOM 613 CB GLN A 41 5.819 -6.317 -9.583 1.00 0.00 C ATOM 614 CG GLN A 41 7.187 -6.673 -10.177 1.00 0.00 C ATOM 615 CD GLN A 41 7.272 -8.058 -10.806 1.00 0.00 C ATOM 616 OE1 GLN A 41 6.763 -8.298 -11.897 1.00 0.00 O ATOM 617 NE2 GLN A 41 7.872 -9.007 -10.113 1.00 0.00 N ATOM 0 H GLN A 41 4.779 -8.500 -9.987 1.00 0.00 H new ATOM 0 HA GLN A 41 6.210 -7.481 -7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.073 -6.353 -10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.851 -5.289 -9.222 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.443 -5.930 -10.933 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.938 -6.600 -9.391 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.290 -8.791 -9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.918 -9.957 -10.482 1.00 0.00 H new ATOM 626 N TYR A 42 3.163 -7.027 -7.274 1.00 0.00 N ATOM 627 CA TYR A 42 2.193 -6.477 -6.336 1.00 0.00 C ATOM 628 C TYR A 42 2.622 -6.855 -4.920 1.00 0.00 C ATOM 629 O TYR A 42 2.641 -8.037 -4.557 1.00 0.00 O ATOM 630 CB TYR A 42 0.793 -6.988 -6.673 1.00 0.00 C ATOM 631 CG TYR A 42 0.365 -6.646 -8.087 1.00 0.00 C ATOM 632 CD1 TYR A 42 0.184 -5.298 -8.443 1.00 0.00 C ATOM 633 CD2 TYR A 42 0.194 -7.656 -9.054 1.00 0.00 C ATOM 634 CE1 TYR A 42 -0.196 -4.954 -9.751 1.00 0.00 C ATOM 635 CE2 TYR A 42 -0.187 -7.319 -10.368 1.00 0.00 C ATOM 636 CZ TYR A 42 -0.390 -5.964 -10.719 1.00 0.00 C ATOM 637 OH TYR A 42 -0.754 -5.622 -11.987 1.00 0.00 O ATOM 0 H TYR A 42 2.835 -7.873 -7.740 1.00 0.00 H new ATOM 0 HA TYR A 42 2.159 -5.390 -6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.765 -8.070 -6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.077 -6.563 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.338 -4.523 -7.707 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.355 -8.690 -8.788 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.340 -3.917 -10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.324 -8.095 -11.107 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.846 -6.432 -12.531 1.00 0.00 H new ATOM 647 N TYR A 43 3.061 -5.861 -4.157 1.00 0.00 N ATOM 648 CA TYR A 43 3.593 -6.001 -2.812 1.00 0.00 C ATOM 649 C TYR A 43 2.514 -6.543 -1.884 1.00 0.00 C ATOM 650 O TYR A 43 1.346 -6.174 -2.023 1.00 0.00 O ATOM 651 CB TYR A 43 4.051 -4.624 -2.318 1.00 0.00 C ATOM 652 CG TYR A 43 5.429 -4.206 -2.790 1.00 0.00 C ATOM 653 CD1 TYR A 43 5.709 -3.954 -4.147 1.00 0.00 C ATOM 654 CD2 TYR A 43 6.457 -4.109 -1.842 1.00 0.00 C ATOM 655 CE1 TYR A 43 7.018 -3.630 -4.547 1.00 0.00 C ATOM 656 CE2 TYR A 43 7.771 -3.823 -2.238 1.00 0.00 C ATOM 657 CZ TYR A 43 8.063 -3.578 -3.597 1.00 0.00 C ATOM 658 OH TYR A 43 9.334 -3.290 -3.992 1.00 0.00 O ATOM 0 H TYR A 43 3.054 -4.892 -4.476 1.00 0.00 H new ATOM 0 HA TYR A 43 4.435 -6.694 -2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.328 -3.877 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.040 -4.622 -1.228 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.918 -4.010 -4.881 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.234 -4.256 -0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.226 -3.420 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.561 -3.790 -1.502 1.00 0.00 H new ATOM 0 HH TYR A 43 9.964 -3.562 -3.292 1.00 0.00 H new ATOM 668 N TYR A 44 2.912 -7.354 -0.901 1.00 0.00 N ATOM 669 CA TYR A 44 1.999 -7.909 0.089 1.00 0.00 C ATOM 670 C TYR A 44 2.157 -7.120 1.374 1.00 0.00 C ATOM 671 O TYR A 44 3.204 -7.112 2.028 1.00 0.00 O ATOM 672 CB TYR A 44 2.221 -9.401 0.308 1.00 0.00 C ATOM 673 CG TYR A 44 1.341 -10.003 1.393 1.00 0.00 C ATOM 674 CD1 TYR A 44 -0.045 -10.122 1.176 1.00 0.00 C ATOM 675 CD2 TYR A 44 1.892 -10.447 2.610 1.00 0.00 C ATOM 676 CE1 TYR A 44 -0.863 -10.752 2.131 1.00 0.00 C ATOM 677 CE2 TYR A 44 1.080 -11.057 3.580 1.00 0.00 C ATOM 678 CZ TYR A 44 -0.298 -11.237 3.332 1.00 0.00 C ATOM 679 OH TYR A 44 -1.072 -11.877 4.250 1.00 0.00 O ATOM 0 H TYR A 44 3.882 -7.643 -0.773 1.00 0.00 H new ATOM 0 HA TYR A 44 0.975 -7.819 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.037 -9.927 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.266 -9.568 0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.483 -9.727 0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.947 -10.318 2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.921 -10.865 1.947 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.509 -11.388 4.514 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.520 -12.144 5.014 1.00 0.00 H new ATOM 689 N ASN A 45 1.102 -6.400 1.707 1.00 0.00 N ATOM 690 CA ASN A 45 0.967 -5.634 2.919 1.00 0.00 C ATOM 691 C ASN A 45 0.473 -6.554 4.026 1.00 0.00 C ATOM 692 O ASN A 45 -0.725 -6.532 4.332 1.00 0.00 O ATOM 693 CB ASN A 45 -0.010 -4.491 2.646 1.00 0.00 C ATOM 694 CG ASN A 45 -0.173 -3.576 3.846 1.00 0.00 C ATOM 695 OD1 ASN A 45 0.795 -3.230 4.515 1.00 0.00 O ATOM 696 ND2 ASN A 45 -1.391 -3.132 4.114 1.00 0.00 N ATOM 0 H ASN A 45 0.280 -6.334 1.107 1.00 0.00 H new ATOM 0 HA ASN A 45 1.918 -5.209 3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.342 -3.910 1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.981 -4.903 2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.540 -2.488 4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.181 -3.434 3.544 1.00 0.00 H new ATOM 703 N ALA A 46 1.379 -7.327 4.640 1.00 0.00 N ATOM 704 CA ALA A 46 1.106 -8.203 5.779 1.00 0.00 C ATOM 705 C ALA A 46 0.237 -7.509 6.837 1.00 0.00 C ATOM 706 O ALA A 46 -0.686 -8.115 7.382 1.00 0.00 O ATOM 707 CB ALA A 46 2.432 -8.629 6.409 1.00 0.00 C ATOM 0 H ALA A 46 2.355 -7.358 4.344 1.00 0.00 H new ATOM 0 HA ALA A 46 0.557 -9.072 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.237 -9.283 7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.031 -9.162 5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.975 -7.746 6.747 1.00 0.00 H new ATOM 713 N GLN A 47 0.481 -6.206 7.032 1.00 0.00 N ATOM 714 CA GLN A 47 -0.185 -5.299 7.964 1.00 0.00 C ATOM 715 C GLN A 47 -1.712 -5.460 7.961 1.00 0.00 C ATOM 716 O GLN A 47 -2.337 -5.474 9.028 1.00 0.00 O ATOM 717 CB GLN A 47 0.182 -3.851 7.564 1.00 0.00 C ATOM 718 CG GLN A 47 0.470 -2.989 8.779 1.00 0.00 C ATOM 719 CD GLN A 47 0.819 -1.560 8.367 1.00 0.00 C ATOM 720 OE1 GLN A 47 0.019 -0.866 7.752 1.00 0.00 O ATOM 721 NE2 GLN A 47 2.028 -1.093 8.618 1.00 0.00 N ATOM 0 H GLN A 47 1.206 -5.726 6.499 1.00 0.00 H new ATOM 0 HA GLN A 47 0.153 -5.536 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.055 -3.864 6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.636 -3.413 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.399 -2.980 9.437 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.295 -3.419 9.347 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.700 -1.665 9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.290 -0.160 8.300 1.00 0.00 H new ATOM 730 N SER A 48 -2.300 -5.586 6.767 1.00 0.00 N ATOM 731 CA SER A 48 -3.723 -5.792 6.545 1.00 0.00 C ATOM 732 C SER A 48 -3.960 -6.940 5.559 1.00 0.00 C ATOM 733 O SER A 48 -5.005 -6.990 4.918 1.00 0.00 O ATOM 734 CB SER A 48 -4.394 -4.479 6.092 1.00 0.00 C ATOM 735 OG SER A 48 -4.561 -3.613 7.198 1.00 0.00 O ATOM 0 H SER A 48 -1.770 -5.545 5.897 1.00 0.00 H new ATOM 0 HA SER A 48 -4.189 -6.084 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.785 -3.994 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.362 -4.693 5.638 1.00 0.00 H new ATOM 0 HG SER A 48 -4.986 -2.781 6.901 1.00 0.00 H new ATOM 741 N GLN A 49 -2.993 -7.840 5.375 1.00 0.00 N ATOM 742 CA GLN A 49 -2.992 -8.916 4.382 1.00 0.00 C ATOM 743 C GLN A 49 -3.374 -8.420 2.970 1.00 0.00 C ATOM 744 O GLN A 49 -3.974 -9.162 2.191 1.00 0.00 O ATOM 745 CB GLN A 49 -3.905 -10.057 4.863 1.00 0.00 C ATOM 746 CG GLN A 49 -3.661 -10.569 6.293 1.00 0.00 C ATOM 747 CD GLN A 49 -4.858 -11.401 6.744 1.00 0.00 C ATOM 748 OE1 GLN A 49 -5.969 -10.890 6.844 1.00 0.00 O ATOM 749 NE2 GLN A 49 -4.686 -12.690 6.996 1.00 0.00 N ATOM 0 H GLN A 49 -2.146 -7.838 5.943 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.975 -9.296 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.939 -9.720 4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.795 -10.896 4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.753 -11.171 6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.511 -9.729 6.971 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.759 -13.107 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.480 -13.265 7.275 1.00 0.00 H new ATOM 758 N GLN A 50 -3.103 -7.149 2.658 1.00 0.00 N ATOM 759 CA GLN A 50 -3.572 -6.474 1.457 1.00 0.00 C ATOM 760 C GLN A 50 -2.526 -6.560 0.350 1.00 0.00 C ATOM 761 O GLN A 50 -1.385 -6.938 0.606 1.00 0.00 O ATOM 762 CB GLN A 50 -3.924 -5.016 1.813 1.00 0.00 C ATOM 763 CG GLN A 50 -5.272 -4.561 1.237 1.00 0.00 C ATOM 764 CD GLN A 50 -6.416 -5.520 1.559 1.00 0.00 C ATOM 765 OE1 GLN A 50 -7.148 -5.959 0.687 1.00 0.00 O ATOM 766 NE2 GLN A 50 -6.558 -5.943 2.799 1.00 0.00 N ATOM 0 H GLN A 50 -2.534 -6.549 3.255 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.469 -6.964 1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.945 -4.909 2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.138 -4.358 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.513 -3.573 1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.183 -4.461 0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.950 -5.581 3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.276 -6.632 3.024 1.00 0.00 H new ATOM 775 N TYR A 51 -2.890 -6.173 -0.870 1.00 0.00 N ATOM 776 CA TYR A 51 -1.943 -5.990 -1.967 1.00 0.00 C ATOM 777 C TYR A 51 -1.803 -4.494 -2.236 1.00 0.00 C ATOM 778 O TYR A 51 -2.786 -3.751 -2.135 1.00 0.00 O ATOM 779 CB TYR A 51 -2.441 -6.699 -3.238 1.00 0.00 C ATOM 780 CG TYR A 51 -2.123 -8.181 -3.359 1.00 0.00 C ATOM 781 CD1 TYR A 51 -2.258 -9.064 -2.268 1.00 0.00 C ATOM 782 CD2 TYR A 51 -1.688 -8.680 -4.602 1.00 0.00 C ATOM 783 CE1 TYR A 51 -1.917 -10.420 -2.403 1.00 0.00 C ATOM 784 CE2 TYR A 51 -1.344 -10.032 -4.750 1.00 0.00 C ATOM 785 CZ TYR A 51 -1.451 -10.906 -3.647 1.00 0.00 C ATOM 786 OH TYR A 51 -1.048 -12.202 -3.768 1.00 0.00 O ATOM 0 H TYR A 51 -3.857 -5.976 -1.127 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.980 -6.421 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.523 -6.577 -3.295 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.017 -6.188 -4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.626 -8.695 -1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.619 -8.015 -5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.010 -11.089 -1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.999 -10.402 -5.704 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.759 -12.370 -4.689 1.00 0.00 H new ATOM 796 N LEU A 52 -0.595 -4.067 -2.598 1.00 0.00 N ATOM 797 CA LEU A 52 -0.195 -2.693 -2.890 1.00 0.00 C ATOM 798 C LEU A 52 0.803 -2.736 -4.060 1.00 0.00 C ATOM 799 O LEU A 52 1.159 -3.818 -4.533 1.00 0.00 O ATOM 800 CB LEU A 52 0.470 -2.063 -1.646 1.00 0.00 C ATOM 801 CG LEU A 52 -0.365 -2.002 -0.347 1.00 0.00 C ATOM 802 CD1 LEU A 52 0.493 -1.452 0.791 1.00 0.00 C ATOM 803 CD2 LEU A 52 -1.610 -1.118 -0.413 1.00 0.00 C ATOM 0 H LEU A 52 0.184 -4.717 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.063 -2.089 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.383 -2.620 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.769 -1.047 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.693 -3.029 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.099 -1.410 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.354 -2.103 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.837 -0.450 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.125 -1.143 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.317 -0.093 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.277 -1.486 -1.192 1.00 0.00 H new ATOM 815 N TYR A 53 1.310 -1.589 -4.508 1.00 0.00 N ATOM 816 CA TYR A 53 2.441 -1.489 -5.422 1.00 0.00 C ATOM 817 C TYR A 53 3.385 -0.390 -4.922 1.00 0.00 C ATOM 818 O TYR A 53 2.935 0.594 -4.325 1.00 0.00 O ATOM 819 CB TYR A 53 1.960 -1.284 -6.875 1.00 0.00 C ATOM 820 CG TYR A 53 1.345 0.061 -7.249 1.00 0.00 C ATOM 821 CD1 TYR A 53 0.048 0.432 -6.830 1.00 0.00 C ATOM 822 CD2 TYR A 53 2.059 0.926 -8.100 1.00 0.00 C ATOM 823 CE1 TYR A 53 -0.500 1.671 -7.196 1.00 0.00 C ATOM 824 CE2 TYR A 53 1.514 2.162 -8.486 1.00 0.00 C ATOM 825 CZ TYR A 53 0.253 2.567 -7.997 1.00 0.00 C ATOM 826 OH TYR A 53 -0.201 3.825 -8.259 1.00 0.00 O ATOM 0 H TYR A 53 0.934 -0.681 -4.237 1.00 0.00 H new ATOM 0 HA TYR A 53 3.004 -2.422 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.811 -1.456 -7.534 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.225 -2.058 -7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.529 -0.247 -6.220 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.035 0.636 -8.460 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.493 1.942 -6.868 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.062 2.805 -9.159 1.00 0.00 H new ATOM 0 HH TYR A 53 0.541 4.462 -8.188 1.00 0.00 H new ATOM 836 N TRP A 54 4.696 -0.566 -5.124 1.00 0.00 N ATOM 837 CA TRP A 54 5.682 0.507 -5.000 1.00 0.00 C ATOM 838 C TRP A 54 5.486 1.393 -6.232 1.00 0.00 C ATOM 839 O TRP A 54 5.379 0.870 -7.347 1.00 0.00 O ATOM 840 CB TRP A 54 7.109 -0.087 -4.934 1.00 0.00 C ATOM 841 CG TRP A 54 8.269 0.873 -4.899 1.00 0.00 C ATOM 842 CD1 TRP A 54 9.234 0.992 -5.841 1.00 0.00 C ATOM 843 CD2 TRP A 54 8.612 1.860 -3.885 1.00 0.00 C ATOM 844 NE1 TRP A 54 10.111 2.003 -5.509 1.00 0.00 N ATOM 845 CE2 TRP A 54 9.757 2.595 -4.323 1.00 0.00 C ATOM 846 CE3 TRP A 54 8.012 2.281 -2.681 1.00 0.00 C ATOM 847 CZ2 TRP A 54 10.240 3.722 -3.640 1.00 0.00 C ATOM 848 CZ3 TRP A 54 8.501 3.386 -1.963 1.00 0.00 C ATOM 849 CH2 TRP A 54 9.593 4.124 -2.456 1.00 0.00 C ATOM 0 H TRP A 54 5.103 -1.466 -5.380 1.00 0.00 H new ATOM 0 HA TRP A 54 5.553 1.088 -4.087 1.00 0.00 H new ATOM 0 HB2 TRP A 54 7.169 -0.717 -4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.240 -0.739 -5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.307 0.381 -6.728 1.00 0.00 H new ATOM 0 HE1 TRP A 54 10.917 2.275 -6.071 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.157 1.742 -2.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.091 4.270 -4.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.037 3.670 -1.030 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.935 5.000 -1.925 1.00 0.00 H new ATOM 860 N ASP A 55 5.425 2.712 -6.039 1.00 0.00 N ATOM 861 CA ASP A 55 5.125 3.681 -7.098 1.00 0.00 C ATOM 862 C ASP A 55 6.175 4.772 -7.080 1.00 0.00 C ATOM 863 O ASP A 55 5.967 5.861 -6.536 1.00 0.00 O ATOM 864 CB ASP A 55 3.722 4.264 -6.912 1.00 0.00 C ATOM 865 CG ASP A 55 3.245 5.135 -8.075 1.00 0.00 C ATOM 866 OD1 ASP A 55 3.966 5.248 -9.093 1.00 0.00 O ATOM 867 OD2 ASP A 55 2.104 5.646 -8.022 1.00 0.00 O ATOM 0 H ASP A 55 5.585 3.145 -5.129 1.00 0.00 H new ATOM 0 HA ASP A 55 5.146 3.182 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.016 3.445 -6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.706 4.858 -5.998 1.00 0.00 H new ATOM 872 N GLY A 56 7.360 4.451 -7.608 1.00 0.00 N ATOM 873 CA GLY A 56 8.525 5.321 -7.617 1.00 0.00 C ATOM 874 C GLY A 56 8.265 6.667 -8.306 1.00 0.00 C ATOM 875 O GLY A 56 9.100 7.566 -8.204 1.00 0.00 O ATOM 0 H GLY A 56 7.533 3.550 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.845 5.501 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.346 4.813 -8.123 1.00 0.00 H new ATOM 879 N GLU A 57 7.103 6.861 -8.940 1.00 0.00 N ATOM 880 CA GLU A 57 6.674 8.165 -9.427 1.00 0.00 C ATOM 881 C GLU A 57 6.448 9.105 -8.236 1.00 0.00 C ATOM 882 O GLU A 57 6.675 10.309 -8.347 1.00 0.00 O ATOM 883 CB GLU A 57 5.376 8.000 -10.225 1.00 0.00 C ATOM 884 CG GLU A 57 5.517 7.049 -11.428 1.00 0.00 C ATOM 885 CD GLU A 57 6.185 7.670 -12.658 1.00 0.00 C ATOM 886 OE1 GLU A 57 6.705 8.804 -12.605 1.00 0.00 O ATOM 887 OE2 GLU A 57 6.207 6.985 -13.713 1.00 0.00 O ATOM 0 H GLU A 57 6.436 6.112 -9.127 1.00 0.00 H new ATOM 0 HA GLU A 57 7.441 8.592 -10.073 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.596 7.624 -9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.049 8.977 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.094 6.177 -11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.526 6.692 -11.710 1.00 0.00 H new ATOM 894 N ARG A 58 6.006 8.567 -7.095 1.00 0.00 N ATOM 895 CA ARG A 58 5.622 9.276 -5.877 1.00 0.00 C ATOM 896 C ARG A 58 6.473 8.906 -4.664 1.00 0.00 C ATOM 897 O ARG A 58 6.421 9.634 -3.673 1.00 0.00 O ATOM 898 CB ARG A 58 4.150 8.968 -5.568 1.00 0.00 C ATOM 899 CG ARG A 58 3.199 9.618 -6.577 1.00 0.00 C ATOM 900 CD ARG A 58 1.746 9.341 -6.187 1.00 0.00 C ATOM 901 NE ARG A 58 0.811 10.211 -6.924 1.00 0.00 N ATOM 902 CZ ARG A 58 -0.366 9.839 -7.444 1.00 0.00 C ATOM 903 NH1 ARG A 58 -0.815 8.594 -7.312 1.00 0.00 N ATOM 904 NH2 ARG A 58 -1.121 10.708 -8.099 1.00 0.00 N ATOM 0 H ARG A 58 5.901 7.557 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 58 5.781 10.338 -6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.998 7.889 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.909 9.321 -4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.375 10.693 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.396 9.229 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.507 8.297 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.620 9.496 -5.115 1.00 0.00 H new ATOM 0 HE ARG A 58 1.086 11.185 -7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.260 7.903 -6.807 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.714 8.331 -7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.808 11.672 -8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.015 10.413 -8.491 1.00 0.00 H new ATOM 918 N ARG A 59 7.267 7.830 -4.718 1.00 0.00 N ATOM 919 CA ARG A 59 8.032 7.296 -3.581 1.00 0.00 C ATOM 920 C ARG A 59 7.106 6.976 -2.410 1.00 0.00 C ATOM 921 O ARG A 59 7.254 7.519 -1.313 1.00 0.00 O ATOM 922 CB ARG A 59 9.195 8.198 -3.166 1.00 0.00 C ATOM 923 CG ARG A 59 10.200 8.461 -4.293 1.00 0.00 C ATOM 924 CD ARG A 59 11.200 9.494 -3.751 1.00 0.00 C ATOM 925 NE ARG A 59 12.133 9.983 -4.769 1.00 0.00 N ATOM 926 CZ ARG A 59 13.331 10.538 -4.558 1.00 0.00 C ATOM 927 NH1 ARG A 59 13.901 10.534 -3.355 1.00 0.00 N ATOM 928 NH2 ARG A 59 13.942 11.122 -5.577 1.00 0.00 N ATOM 0 H ARG A 59 7.400 7.292 -5.574 1.00 0.00 H new ATOM 0 HA ARG A 59 8.491 6.365 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.798 9.150 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.716 7.741 -2.325 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.710 7.542 -4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.696 8.838 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.651 10.339 -3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.766 9.048 -2.933 1.00 0.00 H new ATOM 0 HE ARG A 59 11.838 9.890 -5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.423 10.100 -2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.816 10.965 -3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.498 11.141 -6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.857 11.553 -5.444 1.00 0.00 H new ATOM 942 N THR A 60 6.146 6.086 -2.630 1.00 0.00 N ATOM 943 CA THR A 60 5.260 5.589 -1.592 1.00 0.00 C ATOM 944 C THR A 60 4.758 4.187 -1.988 1.00 0.00 C ATOM 945 O THR A 60 5.127 3.665 -3.043 1.00 0.00 O ATOM 946 CB THR A 60 4.151 6.633 -1.360 1.00 0.00 C ATOM 947 OG1 THR A 60 3.536 6.401 -0.108 1.00 0.00 O ATOM 948 CG2 THR A 60 3.130 6.694 -2.502 1.00 0.00 C ATOM 0 H THR A 60 5.961 5.685 -3.549 1.00 0.00 H new ATOM 0 HA THR A 60 5.767 5.461 -0.636 1.00 0.00 H new ATOM 0 HB THR A 60 4.619 7.617 -1.348 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.221 6.184 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.376 7.449 -2.276 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.638 6.955 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.649 5.722 -2.612 1.00 0.00 H new ATOM 956 N TYR A 61 3.914 3.570 -1.159 1.00 0.00 N ATOM 957 CA TYR A 61 3.235 2.319 -1.482 1.00 0.00 C ATOM 958 C TYR A 61 1.734 2.576 -1.516 1.00 0.00 C ATOM 959 O TYR A 61 1.157 3.046 -0.533 1.00 0.00 O ATOM 960 CB TYR A 61 3.572 1.222 -0.473 1.00 0.00 C ATOM 961 CG TYR A 61 5.036 0.832 -0.427 1.00 0.00 C ATOM 962 CD1 TYR A 61 5.551 -0.163 -1.283 1.00 0.00 C ATOM 963 CD2 TYR A 61 5.879 1.451 0.512 1.00 0.00 C ATOM 964 CE1 TYR A 61 6.885 -0.592 -1.140 1.00 0.00 C ATOM 965 CE2 TYR A 61 7.221 1.061 0.617 1.00 0.00 C ATOM 966 CZ TYR A 61 7.726 0.007 -0.175 1.00 0.00 C ATOM 967 OH TYR A 61 9.025 -0.384 -0.021 1.00 0.00 O ATOM 0 H TYR A 61 3.682 3.931 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 61 3.575 1.970 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.267 1.554 0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.981 0.337 -0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.923 -0.596 -2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.492 2.229 1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.267 -1.382 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.874 1.571 1.310 1.00 0.00 H new ATOM 0 HH TYR A 61 9.055 -1.337 0.205 1.00 0.00 H new ATOM 977 N VAL A 62 1.102 2.274 -2.644 1.00 0.00 N ATOM 978 CA VAL A 62 -0.271 2.645 -2.987 1.00 0.00 C ATOM 979 C VAL A 62 -1.088 1.396 -3.334 1.00 0.00 C ATOM 980 O VAL A 62 -0.500 0.357 -3.630 1.00 0.00 O ATOM 981 CB VAL A 62 -0.275 3.713 -4.112 1.00 0.00 C ATOM 982 CG1 VAL A 62 -0.393 5.111 -3.499 1.00 0.00 C ATOM 983 CG2 VAL A 62 1.001 3.721 -4.972 1.00 0.00 C ATOM 0 H VAL A 62 1.554 1.736 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.755 3.102 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.122 3.455 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.395 5.858 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.321 5.182 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.453 5.290 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.920 4.495 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.865 3.924 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.123 2.750 -5.451 1.00 0.00 H new ATOM 993 N PRO A 63 -2.427 1.441 -3.226 1.00 0.00 N ATOM 994 CA PRO A 63 -3.252 0.253 -3.370 1.00 0.00 C ATOM 995 C PRO A 63 -3.300 -0.204 -4.824 1.00 0.00 C ATOM 996 O PRO A 63 -3.567 0.593 -5.726 1.00 0.00 O ATOM 997 CB PRO A 63 -4.621 0.630 -2.809 1.00 0.00 C ATOM 998 CG PRO A 63 -4.687 2.145 -2.951 1.00 0.00 C ATOM 999 CD PRO A 63 -3.232 2.589 -2.835 1.00 0.00 C ATOM 0 HA PRO A 63 -2.849 -0.601 -2.826 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.424 0.144 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.721 0.324 -1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.119 2.438 -3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.304 2.593 -2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.033 3.443 -3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.999 2.899 -1.816 1.00 0.00 H new ATOM 1007 N ALA A 64 -3.058 -1.500 -5.043 1.00 0.00 N ATOM 1008 CA ALA A 64 -2.989 -2.105 -6.370 1.00 0.00 C ATOM 1009 C ALA A 64 -4.217 -2.986 -6.640 1.00 0.00 C ATOM 1010 O ALA A 64 -4.132 -4.072 -7.225 1.00 0.00 O ATOM 1011 CB ALA A 64 -1.696 -2.883 -6.523 1.00 0.00 C ATOM 0 H ALA A 64 -2.902 -2.167 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.995 -1.311 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.656 -3.330 -7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.849 -2.210 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.653 -3.669 -5.770 1.00 0.00 H new