USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= -0.191 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -1.15 K(o=-1.3,f=-2.1) USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.0335 USER MOD Set 3.2: A 39 GLN : amide:sc= 0 X(o=0.033,f=0.004) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0391 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.334 USER MOD Single : A 37 SER OG : rot 180:sc= -1.92 USER MOD Single : A 43 CYS SG : rot 105:sc= 0.419 USER MOD Single : A 48 GLN : amide:sc= -0.0829 K(o=-0.083,f=-2.1!) USER MOD Single : A 50 TYR OH : rot 132:sc= 1.17 USER MOD Single : A 51 SER OG : rot -72:sc= 1.32 USER MOD Single : A 55 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.077) USER MOD Single : A 58 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.7!) USER MOD Single : A 66 ASN : amide:sc= -0.319 K(o=-0.32,f=-5!) USER MOD Single : A 69 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.6) USER MOD Single : A 72 GLN : amide:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 29:sc= -0.0722 USER MOD Single : A 83 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.11) USER MOD Single : A 84 HIS : no HE2:sc= 0.656 K(o=0.66,f=-8.4!) USER MOD Single : A 86 TYR OH : rot 100:sc= -0.121 USER MOD Single : A 93 GLN : amide:sc= -10.1! C(o=-10!,f=-10!) USER MOD Single : A 94 SER OG : rot 160:sc= 0.763 USER MOD Single : A 95 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.119 16.966 -1.303 1.00 0.00 N ATOM 185 CA GLY A 16 7.918 16.825 -2.107 1.00 0.00 C ATOM 186 C GLY A 16 7.476 15.381 -2.240 1.00 0.00 C ATOM 187 O GLY A 16 6.866 15.001 -3.239 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.114 17.408 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.098 17.240 -3.099 1.00 0.00 H new ATOM 191 N VAL A 17 7.787 14.573 -1.231 1.00 0.00 N ATOM 192 CA VAL A 17 7.418 13.163 -1.240 1.00 0.00 C ATOM 193 C VAL A 17 6.123 12.928 -0.470 1.00 0.00 C ATOM 194 O VAL A 17 5.813 13.622 0.498 1.00 0.00 O ATOM 195 CB VAL A 17 8.530 12.288 -0.630 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.718 12.198 -1.576 1.00 0.00 C ATOM 197 CG2 VAL A 17 8.957 12.836 0.723 1.00 0.00 C ATOM 0 H VAL A 17 8.294 14.871 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 17 7.274 12.881 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 17 8.137 11.282 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.493 11.576 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.399 11.756 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.114 13.197 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.743 12.206 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.333 13.852 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.102 12.843 1.399 1.00 0.00 H new ATOM 207 N PRO A 18 5.347 11.926 -0.909 1.00 0.00 N ATOM 208 CA PRO A 18 4.073 11.576 -0.276 1.00 0.00 C ATOM 209 C PRO A 18 4.263 10.954 1.104 1.00 0.00 C ATOM 210 O PRO A 18 4.927 9.928 1.247 1.00 0.00 O ATOM 211 CB PRO A 18 3.464 10.556 -1.242 1.00 0.00 C ATOM 212 CG PRO A 18 4.633 9.960 -1.948 1.00 0.00 C ATOM 213 CD PRO A 18 5.654 11.058 -2.058 1.00 0.00 C ATOM 0 HA PRO A 18 3.447 12.453 -0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.894 9.796 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.779 11.034 -1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.032 9.110 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.348 9.592 -2.934 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.671 10.668 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.566 11.595 -3.002 1.00 0.00 H new ATOM 221 N ASP A 19 3.675 11.582 2.116 1.00 0.00 N ATOM 222 CA ASP A 19 3.779 11.090 3.485 1.00 0.00 C ATOM 223 C ASP A 19 3.151 9.705 3.613 1.00 0.00 C ATOM 224 O ASP A 19 2.276 9.333 2.831 1.00 0.00 O ATOM 225 CB ASP A 19 3.102 12.062 4.452 1.00 0.00 C ATOM 226 CG ASP A 19 3.699 12.003 5.845 1.00 0.00 C ATOM 227 OD1 ASP A 19 4.913 11.735 5.959 1.00 0.00 O ATOM 228 OD2 ASP A 19 2.951 12.227 6.820 1.00 0.00 O ATOM 0 H ASP A 19 3.121 12.433 2.014 1.00 0.00 H new ATOM 0 HA ASP A 19 4.836 11.015 3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.191 13.077 4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.038 11.834 4.506 1.00 0.00 H new ATOM 233 N THR A 20 3.605 8.945 4.605 1.00 0.00 N ATOM 234 CA THR A 20 3.090 7.601 4.835 1.00 0.00 C ATOM 235 C THR A 20 1.571 7.565 4.708 1.00 0.00 C ATOM 236 O THR A 20 0.855 8.359 5.319 1.00 0.00 O ATOM 237 CB THR A 20 3.491 7.076 6.226 1.00 0.00 C ATOM 238 OG1 THR A 20 4.840 7.453 6.522 1.00 0.00 O ATOM 239 CG2 THR A 20 3.355 5.562 6.293 1.00 0.00 C ATOM 0 H THR A 20 4.328 9.238 5.262 1.00 0.00 H new ATOM 0 HA THR A 20 3.531 6.959 4.072 1.00 0.00 H new ATOM 0 HB THR A 20 2.821 7.518 6.964 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.087 7.117 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.644 5.214 7.285 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.320 5.281 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.003 5.105 5.545 1.00 0.00 H new ATOM 247 N PRO A 21 1.066 6.623 3.898 1.00 0.00 N ATOM 248 CA PRO A 21 -0.373 6.461 3.674 1.00 0.00 C ATOM 249 C PRO A 21 -1.095 5.927 4.907 1.00 0.00 C ATOM 250 O PRO A 21 -0.585 5.053 5.609 1.00 0.00 O ATOM 251 CB PRO A 21 -0.442 5.444 2.532 1.00 0.00 C ATOM 252 CG PRO A 21 0.829 4.674 2.633 1.00 0.00 C ATOM 253 CD PRO A 21 1.862 5.643 3.139 1.00 0.00 C ATOM 0 HA PRO A 21 -0.860 7.410 3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.309 4.792 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.529 5.940 1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.720 3.829 3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.117 4.268 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.601 5.150 3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.406 6.114 2.321 1.00 0.00 H new ATOM 261 N THR A 22 -2.287 6.457 5.165 1.00 0.00 N ATOM 262 CA THR A 22 -3.079 6.034 6.313 1.00 0.00 C ATOM 263 C THR A 22 -3.350 4.535 6.272 1.00 0.00 C ATOM 264 O THR A 22 -2.987 3.855 5.312 1.00 0.00 O ATOM 265 CB THR A 22 -4.422 6.786 6.377 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.252 8.132 5.920 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.972 6.791 7.795 1.00 0.00 C ATOM 0 H THR A 22 -2.725 7.180 4.594 1.00 0.00 H new ATOM 0 HA THR A 22 -2.496 6.270 7.203 1.00 0.00 H new ATOM 0 HB THR A 22 -5.133 6.271 5.731 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.111 8.603 5.962 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.921 7.328 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.128 5.765 8.128 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.262 7.284 8.459 1.00 0.00 H new ATOM 275 N ARG A 23 -3.990 4.025 7.319 1.00 0.00 N ATOM 276 CA ARG A 23 -4.309 2.605 7.403 1.00 0.00 C ATOM 277 C ARG A 23 -4.987 2.124 6.123 1.00 0.00 C ATOM 278 O ARG A 23 -5.605 2.909 5.402 1.00 0.00 O ATOM 279 CB ARG A 23 -5.215 2.334 8.605 1.00 0.00 C ATOM 280 CG ARG A 23 -4.608 2.756 9.933 1.00 0.00 C ATOM 281 CD ARG A 23 -5.251 2.022 11.099 1.00 0.00 C ATOM 282 NE ARG A 23 -5.114 2.759 12.352 1.00 0.00 N ATOM 283 CZ ARG A 23 -5.282 2.209 13.550 1.00 0.00 C ATOM 284 NH1 ARG A 23 -5.592 0.925 13.656 1.00 0.00 N ATOM 285 NH2 ARG A 23 -5.141 2.945 14.645 1.00 0.00 N ATOM 0 H ARG A 23 -4.298 4.574 8.121 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.376 2.055 7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.159 2.860 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.446 1.269 8.643 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.536 2.558 9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.732 3.831 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.308 1.861 10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.793 1.038 11.205 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.876 3.750 12.305 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.702 0.356 12.817 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.720 0.506 14.577 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.903 3.934 14.568 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.270 2.522 15.564 1.00 0.00 H new ATOM 299 N LEU A 24 -4.867 0.831 5.846 1.00 0.00 N ATOM 300 CA LEU A 24 -5.468 0.244 4.653 1.00 0.00 C ATOM 301 C LEU A 24 -6.812 -0.398 4.979 1.00 0.00 C ATOM 302 O LEU A 24 -7.066 -0.785 6.120 1.00 0.00 O ATOM 303 CB LEU A 24 -4.527 -0.796 4.043 1.00 0.00 C ATOM 304 CG LEU A 24 -3.032 -0.556 4.257 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.218 -1.691 3.655 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.614 0.778 3.657 1.00 0.00 C ATOM 0 H LEU A 24 -4.359 0.168 6.431 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.634 1.043 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.781 -1.772 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.717 -0.844 2.971 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.839 -0.526 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.157 -1.503 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.497 -2.631 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.416 -1.753 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.547 0.931 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.822 0.777 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.173 1.583 4.134 1.00 0.00 H new ATOM 318 N VAL A 25 -7.669 -0.511 3.970 1.00 0.00 N ATOM 319 CA VAL A 25 -8.986 -1.110 4.149 1.00 0.00 C ATOM 320 C VAL A 25 -9.120 -2.395 3.340 1.00 0.00 C ATOM 321 O VAL A 25 -9.081 -2.374 2.109 1.00 0.00 O ATOM 322 CB VAL A 25 -10.106 -0.137 3.734 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.466 -0.811 3.842 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.058 1.124 4.584 1.00 0.00 C ATOM 0 H VAL A 25 -7.475 -0.196 3.020 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.088 -1.339 5.210 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.950 0.147 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.245 -0.109 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.494 -1.682 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.635 -1.126 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.856 1.800 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.189 0.861 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.095 1.616 4.451 1.00 0.00 H new ATOM 334 N PHE A 26 -9.277 -3.514 4.039 1.00 0.00 N ATOM 335 CA PHE A 26 -9.416 -4.811 3.386 1.00 0.00 C ATOM 336 C PHE A 26 -10.881 -5.230 3.315 1.00 0.00 C ATOM 337 O PHE A 26 -11.614 -5.132 4.299 1.00 0.00 O ATOM 338 CB PHE A 26 -8.606 -5.872 4.133 1.00 0.00 C ATOM 339 CG PHE A 26 -7.176 -5.477 4.371 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.199 -5.768 3.432 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.809 -4.816 5.532 1.00 0.00 C ATOM 342 CE1 PHE A 26 -4.883 -5.407 3.648 1.00 0.00 C ATOM 343 CE2 PHE A 26 -5.495 -4.452 5.753 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.530 -4.747 4.810 1.00 0.00 C ATOM 0 H PHE A 26 -9.311 -3.549 5.058 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.033 -4.721 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.083 -6.074 5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.628 -6.802 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.469 -6.282 2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.559 -4.583 6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.131 -5.640 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.222 -3.937 6.662 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.502 -4.463 4.980 1.00 0.00 H new ATOM 354 N SER A 27 -11.301 -5.696 2.143 1.00 0.00 N ATOM 355 CA SER A 27 -12.680 -6.126 1.941 1.00 0.00 C ATOM 356 C SER A 27 -12.806 -7.638 2.099 1.00 0.00 C ATOM 357 O SER A 27 -13.782 -8.136 2.660 1.00 0.00 O ATOM 358 CB SER A 27 -13.171 -5.703 0.555 1.00 0.00 C ATOM 359 OG SER A 27 -14.568 -5.901 0.426 1.00 0.00 O ATOM 0 H SER A 27 -10.706 -5.785 1.319 1.00 0.00 H new ATOM 0 HA SER A 27 -13.299 -5.646 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.932 -4.653 0.386 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.647 -6.276 -0.210 1.00 0.00 H new ATOM 0 HG SER A 27 -14.857 -5.622 -0.468 1.00 0.00 H new ATOM 365 N ALA A 28 -11.811 -8.364 1.598 1.00 0.00 N ATOM 366 CA ALA A 28 -11.808 -9.819 1.684 1.00 0.00 C ATOM 367 C ALA A 28 -13.003 -10.415 0.946 1.00 0.00 C ATOM 368 O ALA A 28 -13.716 -11.264 1.482 1.00 0.00 O ATOM 369 CB ALA A 28 -11.811 -10.261 3.140 1.00 0.00 C ATOM 0 H ALA A 28 -10.997 -7.968 1.128 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.899 -10.185 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.809 -11.350 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.923 -9.873 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.703 -9.877 3.635 1.00 0.00 H new ATOM 375 N LEU A 29 -13.216 -9.965 -0.285 1.00 0.00 N ATOM 376 CA LEU A 29 -14.325 -10.453 -1.097 1.00 0.00 C ATOM 377 C LEU A 29 -14.537 -11.949 -0.885 1.00 0.00 C ATOM 378 O LEU A 29 -15.654 -12.451 -1.007 1.00 0.00 O ATOM 379 CB LEU A 29 -14.063 -10.168 -2.577 1.00 0.00 C ATOM 380 CG LEU A 29 -13.841 -8.702 -2.949 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.711 -7.796 -2.092 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.373 -8.331 -2.802 1.00 0.00 C ATOM 0 H LEU A 29 -12.635 -9.263 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.229 -9.929 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.186 -10.737 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.908 -10.545 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.127 -8.564 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.539 -6.756 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.761 -8.045 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.458 -7.936 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.234 -7.284 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.060 -8.485 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.772 -8.958 -3.460 1.00 0.00 H new ATOM 394 N GLY A 30 -13.457 -12.655 -0.565 1.00 0.00 N ATOM 395 CA GLY A 30 -13.547 -14.086 -0.339 1.00 0.00 C ATOM 396 C GLY A 30 -12.271 -14.663 0.239 1.00 0.00 C ATOM 397 O GLY A 30 -11.382 -13.937 0.685 1.00 0.00 O ATOM 0 H GLY A 30 -12.522 -12.262 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.375 -14.292 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.774 -14.586 -1.281 1.00 0.00 H new ATOM 401 N PRO A 31 -12.167 -16.000 0.238 1.00 0.00 N ATOM 402 CA PRO A 31 -10.994 -16.704 0.765 1.00 0.00 C ATOM 403 C PRO A 31 -9.761 -16.510 -0.111 1.00 0.00 C ATOM 404 O PRO A 31 -8.629 -16.565 0.372 1.00 0.00 O ATOM 405 CB PRO A 31 -11.429 -18.172 0.759 1.00 0.00 C ATOM 406 CG PRO A 31 -12.476 -18.253 -0.298 1.00 0.00 C ATOM 407 CD PRO A 31 -13.188 -16.928 -0.278 1.00 0.00 C ATOM 0 HA PRO A 31 -10.705 -16.335 1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.591 -18.832 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.823 -18.472 1.730 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.031 -18.442 -1.275 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.168 -19.071 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.528 -16.639 -1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.068 -16.954 0.364 1.00 0.00 H new ATOM 415 N THR A 32 -9.986 -16.283 -1.401 1.00 0.00 N ATOM 416 CA THR A 32 -8.893 -16.082 -2.344 1.00 0.00 C ATOM 417 C THR A 32 -9.004 -14.727 -3.034 1.00 0.00 C ATOM 418 O THR A 32 -8.464 -14.527 -4.121 1.00 0.00 O ATOM 419 CB THR A 32 -8.863 -17.189 -3.414 1.00 0.00 C ATOM 420 OG1 THR A 32 -10.174 -17.378 -3.960 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.360 -18.498 -2.825 1.00 0.00 C ATOM 0 H THR A 32 -10.916 -16.234 -1.817 1.00 0.00 H new ATOM 0 HA THR A 32 -7.968 -16.119 -1.768 1.00 0.00 H new ATOM 0 HB THR A 32 -8.181 -16.880 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.146 -18.082 -4.641 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.348 -19.265 -3.600 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.351 -18.358 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.020 -18.810 -2.016 1.00 0.00 H new ATOM 429 N SER A 33 -9.708 -13.799 -2.394 1.00 0.00 N ATOM 430 CA SER A 33 -9.893 -12.462 -2.948 1.00 0.00 C ATOM 431 C SER A 33 -9.850 -11.407 -1.847 1.00 0.00 C ATOM 432 O SER A 33 -10.258 -11.660 -0.712 1.00 0.00 O ATOM 433 CB SER A 33 -11.223 -12.378 -3.699 1.00 0.00 C ATOM 434 OG SER A 33 -12.240 -13.093 -3.018 1.00 0.00 O ATOM 0 H SER A 33 -10.160 -13.948 -1.492 1.00 0.00 H new ATOM 0 HA SER A 33 -9.078 -12.268 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.518 -11.334 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.102 -12.781 -4.705 1.00 0.00 H new ATOM 0 HG SER A 33 -13.080 -13.022 -3.518 1.00 0.00 H new ATOM 440 N LEU A 34 -9.353 -10.224 -2.190 1.00 0.00 N ATOM 441 CA LEU A 34 -9.256 -9.128 -1.231 1.00 0.00 C ATOM 442 C LEU A 34 -9.243 -7.780 -1.945 1.00 0.00 C ATOM 443 O LEU A 34 -9.049 -7.711 -3.159 1.00 0.00 O ATOM 444 CB LEU A 34 -7.995 -9.280 -0.380 1.00 0.00 C ATOM 445 CG LEU A 34 -8.156 -10.060 0.925 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.865 -10.784 1.277 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.573 -9.130 2.055 1.00 0.00 C ATOM 0 H LEU A 34 -9.011 -9.999 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.131 -9.166 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.232 -9.772 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.620 -8.285 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.940 -10.804 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.999 -11.334 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.609 -11.480 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.061 -10.057 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.683 -9.703 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.812 -8.362 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.523 -8.658 1.806 1.00 0.00 H new ATOM 459 N ARG A 35 -9.449 -6.711 -1.183 1.00 0.00 N ATOM 460 CA ARG A 35 -9.459 -5.365 -1.743 1.00 0.00 C ATOM 461 C ARG A 35 -8.826 -4.369 -0.775 1.00 0.00 C ATOM 462 O ARG A 35 -9.431 -3.992 0.229 1.00 0.00 O ATOM 463 CB ARG A 35 -10.891 -4.936 -2.068 1.00 0.00 C ATOM 464 CG ARG A 35 -10.996 -3.516 -2.601 1.00 0.00 C ATOM 465 CD ARG A 35 -12.425 -3.000 -2.536 1.00 0.00 C ATOM 466 NE ARG A 35 -12.538 -1.637 -3.048 1.00 0.00 N ATOM 467 CZ ARG A 35 -12.675 -1.345 -4.336 1.00 0.00 C ATOM 468 NH1 ARG A 35 -12.714 -2.316 -5.239 1.00 0.00 N ATOM 469 NH2 ARG A 35 -12.772 -0.080 -4.725 1.00 0.00 N ATOM 0 H ARG A 35 -9.611 -6.751 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.872 -5.376 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.309 -5.623 -2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.500 -5.023 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.345 -2.860 -2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.644 -3.486 -3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.075 -3.659 -3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.775 -3.030 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.510 -0.867 -2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.639 -3.290 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.819 -2.089 -6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.741 0.670 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.877 0.143 -5.715 1.00 0.00 H new ATOM 483 N VAL A 36 -7.604 -3.946 -1.084 1.00 0.00 N ATOM 484 CA VAL A 36 -6.889 -2.994 -0.243 1.00 0.00 C ATOM 485 C VAL A 36 -7.126 -1.562 -0.710 1.00 0.00 C ATOM 486 O VAL A 36 -6.884 -1.228 -1.870 1.00 0.00 O ATOM 487 CB VAL A 36 -5.375 -3.277 -0.238 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.606 -2.059 0.253 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.064 -4.495 0.618 1.00 0.00 C ATOM 0 H VAL A 36 -7.089 -4.248 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.277 -3.112 0.769 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.059 -3.489 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.538 -2.277 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.805 -1.213 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.923 -1.813 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.990 -4.681 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.394 -4.314 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.585 -5.364 0.217 1.00 0.00 H new ATOM 499 N SER A 37 -7.601 -0.720 0.202 1.00 0.00 N ATOM 500 CA SER A 37 -7.875 0.677 -0.117 1.00 0.00 C ATOM 501 C SER A 37 -7.216 1.605 0.899 1.00 0.00 C ATOM 502 O SER A 37 -7.365 1.426 2.107 1.00 0.00 O ATOM 503 CB SER A 37 -9.384 0.928 -0.151 1.00 0.00 C ATOM 504 OG SER A 37 -9.973 0.338 -1.296 1.00 0.00 O ATOM 0 H SER A 37 -7.804 -0.980 1.167 1.00 0.00 H new ATOM 0 HA SER A 37 -7.457 0.888 -1.101 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.844 0.521 0.749 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.578 2.001 -0.150 1.00 0.00 H new ATOM 0 HG SER A 37 -10.938 0.511 -1.294 1.00 0.00 H new ATOM 510 N TRP A 38 -6.487 2.596 0.399 1.00 0.00 N ATOM 511 CA TRP A 38 -5.805 3.554 1.262 1.00 0.00 C ATOM 512 C TRP A 38 -6.400 4.949 1.105 1.00 0.00 C ATOM 513 O TRP A 38 -7.369 5.140 0.372 1.00 0.00 O ATOM 514 CB TRP A 38 -4.309 3.585 0.941 1.00 0.00 C ATOM 515 CG TRP A 38 -4.018 3.638 -0.528 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.576 4.718 -1.237 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.149 2.565 -1.467 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.425 4.381 -2.561 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.769 3.066 -2.727 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.549 1.230 -1.365 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.779 2.277 -3.875 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.558 0.449 -2.505 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.175 0.974 -3.746 1.00 0.00 C ATOM 0 H TRP A 38 -6.353 2.757 -0.599 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.942 3.236 2.296 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.859 4.452 1.425 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.835 2.700 1.366 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.375 5.693 -0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.108 5.009 -3.300 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.846 0.816 -0.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.485 2.680 -4.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.866 -0.584 -2.438 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.193 0.337 -4.618 1.00 0.00 H new ATOM 534 N GLN A 39 -5.813 5.919 1.799 1.00 0.00 N ATOM 535 CA GLN A 39 -6.287 7.296 1.736 1.00 0.00 C ATOM 536 C GLN A 39 -5.203 8.221 1.192 1.00 0.00 C ATOM 537 O GLN A 39 -4.169 8.421 1.828 1.00 0.00 O ATOM 538 CB GLN A 39 -6.730 7.770 3.122 1.00 0.00 C ATOM 539 CG GLN A 39 -7.061 9.252 3.181 1.00 0.00 C ATOM 540 CD GLN A 39 -8.103 9.575 4.234 1.00 0.00 C ATOM 541 OE1 GLN A 39 -7.796 9.654 5.424 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.343 9.766 3.801 1.00 0.00 N ATOM 0 H GLN A 39 -5.009 5.777 2.411 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.140 7.329 1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.605 7.198 3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.939 7.554 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.152 9.816 3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.422 9.579 2.206 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.553 9.691 2.806 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.086 9.988 4.464 1.00 0.00 H new ATOM 551 N GLU A 40 -5.448 8.781 0.011 1.00 0.00 N ATOM 552 CA GLU A 40 -4.491 9.684 -0.618 1.00 0.00 C ATOM 553 C GLU A 40 -3.746 10.504 0.430 1.00 0.00 C ATOM 554 O GLU A 40 -4.296 11.417 1.047 1.00 0.00 O ATOM 555 CB GLU A 40 -5.205 10.617 -1.599 1.00 0.00 C ATOM 556 CG GLU A 40 -4.258 11.415 -2.478 1.00 0.00 C ATOM 557 CD GLU A 40 -4.894 12.680 -3.023 1.00 0.00 C ATOM 558 OE1 GLU A 40 -6.133 12.701 -3.180 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.152 13.648 -3.291 1.00 0.00 O ATOM 0 H GLU A 40 -6.300 8.625 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.766 9.080 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.866 10.026 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.835 11.307 -1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.370 11.678 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.927 10.792 -3.309 1.00 0.00 H new ATOM 566 N PRO A 41 -2.463 10.172 0.639 1.00 0.00 N ATOM 567 CA PRO A 41 -1.614 10.865 1.612 1.00 0.00 C ATOM 568 C PRO A 41 -1.277 12.287 1.179 1.00 0.00 C ATOM 569 O PRO A 41 -1.519 12.671 0.035 1.00 0.00 O ATOM 570 CB PRO A 41 -0.348 10.005 1.655 1.00 0.00 C ATOM 571 CG PRO A 41 -0.309 9.324 0.330 1.00 0.00 C ATOM 572 CD PRO A 41 -1.743 9.095 -0.061 1.00 0.00 C ATOM 0 HA PRO A 41 -2.106 10.972 2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.541 10.616 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.387 9.283 2.471 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.204 9.939 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.234 8.381 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.880 9.156 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.092 8.110 0.250 1.00 0.00 H new ATOM 580 N ARG A 42 -0.718 13.065 2.100 1.00 0.00 N ATOM 581 CA ARG A 42 -0.348 14.446 1.813 1.00 0.00 C ATOM 582 C ARG A 42 0.895 14.503 0.930 1.00 0.00 C ATOM 583 O ARG A 42 1.840 13.736 1.121 1.00 0.00 O ATOM 584 CB ARG A 42 -0.100 15.211 3.114 1.00 0.00 C ATOM 585 CG ARG A 42 1.106 14.711 3.893 1.00 0.00 C ATOM 586 CD ARG A 42 1.611 15.761 4.871 1.00 0.00 C ATOM 587 NE ARG A 42 0.618 16.078 5.894 1.00 0.00 N ATOM 588 CZ ARG A 42 0.633 17.196 6.611 1.00 0.00 C ATOM 589 NH1 ARG A 42 1.583 18.099 6.417 1.00 0.00 N ATOM 590 NH2 ARG A 42 -0.306 17.412 7.524 1.00 0.00 N ATOM 0 H ARG A 42 -0.511 12.762 3.052 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.174 14.914 1.278 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.039 16.267 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.986 15.136 3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.839 13.804 4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.904 14.444 3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.522 15.402 5.349 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.873 16.668 4.326 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.128 15.404 6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.305 17.937 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.592 18.957 6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.039 16.719 7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.294 18.271 8.074 1.00 0.00 H new ATOM 604 N CYS A 43 0.887 15.416 -0.034 1.00 0.00 N ATOM 605 CA CYS A 43 2.014 15.574 -0.947 1.00 0.00 C ATOM 606 C CYS A 43 1.942 16.912 -1.675 1.00 0.00 C ATOM 607 O CYS A 43 0.931 17.237 -2.297 1.00 0.00 O ATOM 608 CB CYS A 43 2.039 14.429 -1.962 1.00 0.00 C ATOM 609 SG CYS A 43 0.469 14.170 -2.820 1.00 0.00 S ATOM 0 H CYS A 43 0.113 16.058 -0.204 1.00 0.00 H new ATOM 0 HA CYS A 43 2.931 15.550 -0.359 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.816 14.629 -2.700 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.317 13.508 -1.449 1.00 0.00 H new ATOM 0 HG CYS A 43 0.555 14.632 -4.032 1.00 0.00 H new ATOM 615 N GLU A 44 3.020 17.686 -1.589 1.00 0.00 N ATOM 616 CA GLU A 44 3.077 18.991 -2.237 1.00 0.00 C ATOM 617 C GLU A 44 3.006 18.848 -3.755 1.00 0.00 C ATOM 618 O GLU A 44 2.626 19.783 -4.460 1.00 0.00 O ATOM 619 CB GLU A 44 4.359 19.725 -1.842 1.00 0.00 C ATOM 620 CG GLU A 44 4.254 21.237 -1.957 1.00 0.00 C ATOM 621 CD GLU A 44 5.535 21.943 -1.556 1.00 0.00 C ATOM 622 OE1 GLU A 44 6.503 21.910 -2.344 1.00 0.00 O ATOM 623 OE2 GLU A 44 5.569 22.528 -0.453 1.00 0.00 O ATOM 0 H GLU A 44 3.865 17.432 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 44 2.217 19.572 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.616 19.464 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.176 19.377 -2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.003 21.503 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.437 21.590 -1.328 1.00 0.00 H new ATOM 630 N ARG A 45 3.375 17.671 -4.250 1.00 0.00 N ATOM 631 CA ARG A 45 3.355 17.405 -5.684 1.00 0.00 C ATOM 632 C ARG A 45 2.319 16.338 -6.025 1.00 0.00 C ATOM 633 O ARG A 45 1.972 15.490 -5.203 1.00 0.00 O ATOM 634 CB ARG A 45 4.739 16.959 -6.160 1.00 0.00 C ATOM 635 CG ARG A 45 5.816 18.016 -5.979 1.00 0.00 C ATOM 636 CD ARG A 45 5.638 19.166 -6.958 1.00 0.00 C ATOM 637 NE ARG A 45 6.321 20.376 -6.510 1.00 0.00 N ATOM 638 CZ ARG A 45 6.420 21.479 -7.245 1.00 0.00 C ATOM 639 NH1 ARG A 45 5.883 21.523 -8.456 1.00 0.00 N ATOM 640 NH2 ARG A 45 7.058 22.540 -6.768 1.00 0.00 N ATOM 0 H ARG A 45 3.691 16.887 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 45 3.082 18.328 -6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.029 16.060 -5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.681 16.688 -7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.785 18.397 -4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.798 17.565 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.023 18.873 -7.935 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.575 19.375 -7.083 1.00 0.00 H new ATOM 0 HE ARG A 45 6.745 20.375 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.392 20.709 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.961 22.371 -9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.473 22.510 -5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.134 23.386 -7.333 1.00 0.00 H new ATOM 654 N PRO A 46 1.813 16.381 -7.266 1.00 0.00 N ATOM 655 CA PRO A 46 0.809 15.425 -7.745 1.00 0.00 C ATOM 656 C PRO A 46 1.382 14.023 -7.920 1.00 0.00 C ATOM 657 O PRO A 46 2.474 13.850 -8.463 1.00 0.00 O ATOM 658 CB PRO A 46 0.386 16.003 -9.097 1.00 0.00 C ATOM 659 CG PRO A 46 1.555 16.809 -9.548 1.00 0.00 C ATOM 660 CD PRO A 46 2.181 17.364 -8.298 1.00 0.00 C ATOM 0 HA PRO A 46 -0.014 15.310 -7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.152 15.212 -9.810 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.507 16.620 -9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.265 16.193 -10.100 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.242 17.611 -10.217 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.263 17.456 -8.397 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.797 18.356 -8.063 1.00 0.00 H new ATOM 668 N LEU A 47 0.638 13.023 -7.459 1.00 0.00 N ATOM 669 CA LEU A 47 1.072 11.634 -7.566 1.00 0.00 C ATOM 670 C LEU A 47 0.870 11.108 -8.984 1.00 0.00 C ATOM 671 O LEU A 47 -0.069 11.503 -9.674 1.00 0.00 O ATOM 672 CB LEU A 47 0.304 10.761 -6.572 1.00 0.00 C ATOM 673 CG LEU A 47 0.215 11.293 -5.141 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.984 10.694 -4.423 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.498 10.996 -4.381 1.00 0.00 C ATOM 0 H LEU A 47 -0.268 13.148 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 47 2.135 11.592 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.709 10.620 -6.950 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.774 9.778 -6.544 1.00 0.00 H new ATOM 0 HG LEU A 47 0.084 12.374 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.031 11.084 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.897 10.959 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.884 9.609 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.417 11.382 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.660 9.919 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.338 11.474 -4.884 1.00 0.00 H new ATOM 687 N GLN A 48 1.757 10.214 -9.410 1.00 0.00 N ATOM 688 CA GLN A 48 1.674 9.633 -10.744 1.00 0.00 C ATOM 689 C GLN A 48 0.957 8.288 -10.709 1.00 0.00 C ATOM 690 O GLN A 48 0.478 7.801 -11.733 1.00 0.00 O ATOM 691 CB GLN A 48 3.074 9.463 -11.337 1.00 0.00 C ATOM 692 CG GLN A 48 3.720 10.772 -11.759 1.00 0.00 C ATOM 693 CD GLN A 48 5.235 10.707 -11.747 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.821 9.696 -11.359 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.878 11.787 -12.174 1.00 0.00 N ATOM 0 H GLN A 48 2.541 9.877 -8.851 1.00 0.00 H new ATOM 0 HA GLN A 48 1.100 10.313 -11.374 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.713 8.972 -10.603 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.015 8.801 -12.201 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.380 11.034 -12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.389 11.568 -11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.352 12.603 -12.487 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.898 11.801 -12.189 1.00 0.00 H new ATOM 704 N GLY A 49 0.886 7.691 -9.523 1.00 0.00 N ATOM 705 CA GLY A 49 0.226 6.407 -9.377 1.00 0.00 C ATOM 706 C GLY A 49 0.288 5.882 -7.957 1.00 0.00 C ATOM 707 O GLY A 49 0.330 6.657 -7.001 1.00 0.00 O ATOM 0 H GLY A 49 1.274 8.074 -8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.816 6.501 -9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.690 5.685 -10.049 1.00 0.00 H new ATOM 711 N TYR A 50 0.292 4.561 -7.816 1.00 0.00 N ATOM 712 CA TYR A 50 0.345 3.932 -6.502 1.00 0.00 C ATOM 713 C TYR A 50 1.031 2.571 -6.576 1.00 0.00 C ATOM 714 O TYR A 50 1.275 2.045 -7.662 1.00 0.00 O ATOM 715 CB TYR A 50 -1.065 3.775 -5.931 1.00 0.00 C ATOM 716 CG TYR A 50 -1.724 5.089 -5.575 1.00 0.00 C ATOM 717 CD1 TYR A 50 -1.163 5.934 -4.625 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.907 5.484 -6.186 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.761 7.135 -4.296 1.00 0.00 C ATOM 720 CE2 TYR A 50 -3.512 6.683 -5.864 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.935 7.505 -4.918 1.00 0.00 C ATOM 722 OH TYR A 50 -3.535 8.700 -4.594 1.00 0.00 O ATOM 0 H TYR A 50 0.259 3.905 -8.596 1.00 0.00 H new ATOM 0 HA TYR A 50 0.927 4.576 -5.843 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.686 3.252 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.020 3.148 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.244 5.647 -4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.362 4.842 -6.926 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.312 7.781 -3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.431 6.975 -6.350 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.766 9.183 -5.415 1.00 0.00 H new ATOM 732 N SER A 51 1.338 2.006 -5.413 1.00 0.00 N ATOM 733 CA SER A 51 1.997 0.707 -5.344 1.00 0.00 C ATOM 734 C SER A 51 1.462 -0.113 -4.174 1.00 0.00 C ATOM 735 O SER A 51 1.302 0.397 -3.065 1.00 0.00 O ATOM 736 CB SER A 51 3.510 0.887 -5.206 1.00 0.00 C ATOM 737 OG SER A 51 4.204 -0.259 -5.668 1.00 0.00 O ATOM 0 H SER A 51 1.141 2.427 -4.505 1.00 0.00 H new ATOM 0 HA SER A 51 1.784 0.170 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.829 1.762 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.764 1.073 -4.162 1.00 0.00 H new ATOM 0 HG SER A 51 4.086 -0.992 -5.029 1.00 0.00 H new ATOM 743 N VAL A 52 1.187 -1.388 -4.430 1.00 0.00 N ATOM 744 CA VAL A 52 0.671 -2.281 -3.400 1.00 0.00 C ATOM 745 C VAL A 52 1.423 -3.607 -3.394 1.00 0.00 C ATOM 746 O VAL A 52 1.233 -4.442 -4.277 1.00 0.00 O ATOM 747 CB VAL A 52 -0.831 -2.556 -3.597 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.357 -3.464 -2.495 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.611 -1.250 -3.639 1.00 0.00 C ATOM 0 H VAL A 52 1.313 -1.826 -5.343 1.00 0.00 H new ATOM 0 HA VAL A 52 0.819 -1.779 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.967 -3.065 -4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.420 -3.647 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.819 -4.411 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.210 -2.985 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.671 -1.463 -3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.470 -0.712 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.252 -0.638 -4.467 1.00 0.00 H new ATOM 759 N GLU A 53 2.277 -3.793 -2.392 1.00 0.00 N ATOM 760 CA GLU A 53 3.058 -5.018 -2.273 1.00 0.00 C ATOM 761 C GLU A 53 2.501 -5.913 -1.170 1.00 0.00 C ATOM 762 O GLU A 53 2.147 -5.439 -0.090 1.00 0.00 O ATOM 763 CB GLU A 53 4.525 -4.688 -1.985 1.00 0.00 C ATOM 764 CG GLU A 53 5.313 -4.289 -3.221 1.00 0.00 C ATOM 765 CD GLU A 53 5.289 -2.794 -3.471 1.00 0.00 C ATOM 766 OE1 GLU A 53 4.225 -2.278 -3.875 1.00 0.00 O ATOM 767 OE2 GLU A 53 6.332 -2.140 -3.262 1.00 0.00 O ATOM 0 H GLU A 53 2.445 -3.111 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 53 2.993 -5.554 -3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.570 -3.877 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.000 -5.555 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.346 -4.618 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.905 -4.805 -4.090 1.00 0.00 H new ATOM 774 N TYR A 54 2.425 -7.209 -1.450 1.00 0.00 N ATOM 775 CA TYR A 54 1.908 -8.171 -0.484 1.00 0.00 C ATOM 776 C TYR A 54 2.667 -9.491 -0.569 1.00 0.00 C ATOM 777 O TYR A 54 3.058 -9.926 -1.652 1.00 0.00 O ATOM 778 CB TYR A 54 0.416 -8.412 -0.721 1.00 0.00 C ATOM 779 CG TYR A 54 0.130 -9.355 -1.867 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.369 -10.719 -1.747 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.379 -8.883 -3.071 1.00 0.00 C ATOM 782 CE1 TYR A 54 0.109 -11.584 -2.792 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.642 -9.742 -4.121 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.396 -11.091 -3.976 1.00 0.00 C ATOM 785 OH TYR A 54 -0.656 -11.949 -5.020 1.00 0.00 O ATOM 0 H TYR A 54 2.715 -7.618 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 54 2.049 -7.756 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.028 -8.815 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.071 -7.457 -0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.765 -11.109 -0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.572 -7.827 -3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.300 -12.641 -2.682 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.038 -9.359 -5.050 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.008 -11.441 -5.781 1.00 0.00 H new ATOM 795 N GLN A 55 2.873 -10.124 0.582 1.00 0.00 N ATOM 796 CA GLN A 55 3.585 -11.394 0.638 1.00 0.00 C ATOM 797 C GLN A 55 3.338 -12.099 1.968 1.00 0.00 C ATOM 798 O GLN A 55 3.138 -11.453 2.997 1.00 0.00 O ATOM 799 CB GLN A 55 5.085 -11.171 0.437 1.00 0.00 C ATOM 800 CG GLN A 55 5.804 -10.702 1.691 1.00 0.00 C ATOM 801 CD GLN A 55 7.171 -10.116 1.396 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.417 -8.933 1.634 1.00 0.00 O ATOM 803 NE2 GLN A 55 8.070 -10.944 0.876 1.00 0.00 N ATOM 0 H GLN A 55 2.557 -9.777 1.488 1.00 0.00 H new ATOM 0 HA GLN A 55 3.208 -12.028 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.539 -12.101 0.094 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.232 -10.434 -0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.194 -9.954 2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.913 -11.541 2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.823 -11.917 0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.008 -10.607 0.658 1.00 0.00 H new ATOM 812 N LEU A 56 3.352 -13.427 1.939 1.00 0.00 N ATOM 813 CA LEU A 56 3.128 -14.221 3.143 1.00 0.00 C ATOM 814 C LEU A 56 3.733 -13.538 4.365 1.00 0.00 C ATOM 815 O LEU A 56 4.947 -13.341 4.443 1.00 0.00 O ATOM 816 CB LEU A 56 3.729 -15.618 2.975 1.00 0.00 C ATOM 817 CG LEU A 56 2.844 -16.650 2.275 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.646 -17.895 1.931 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.649 -17.006 3.148 1.00 0.00 C ATOM 0 H LEU A 56 3.516 -13.977 1.096 1.00 0.00 H new ATOM 0 HA LEU A 56 2.052 -14.311 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.659 -15.526 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.988 -16.001 3.962 1.00 0.00 H new ATOM 0 HG LEU A 56 2.474 -16.214 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.000 -18.618 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.468 -17.626 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.046 -18.334 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.030 -17.742 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.000 -17.422 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.061 -16.109 3.343 1.00 0.00 H new ATOM 831 N LEU A 57 2.880 -13.181 5.319 1.00 0.00 N ATOM 832 CA LEU A 57 3.330 -12.521 6.540 1.00 0.00 C ATOM 833 C LEU A 57 4.705 -13.033 6.960 1.00 0.00 C ATOM 834 O LEU A 57 5.651 -12.258 7.097 1.00 0.00 O ATOM 835 CB LEU A 57 2.322 -12.750 7.668 1.00 0.00 C ATOM 836 CG LEU A 57 2.260 -11.664 8.743 1.00 0.00 C ATOM 837 CD1 LEU A 57 1.383 -12.110 9.902 1.00 0.00 C ATOM 838 CD2 LEU A 57 3.659 -11.318 9.232 1.00 0.00 C ATOM 0 H LEU A 57 1.873 -13.337 5.271 1.00 0.00 H new ATOM 0 HA LEU A 57 3.406 -11.452 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.331 -12.854 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.557 -13.698 8.151 1.00 0.00 H new ATOM 0 HG LEU A 57 1.819 -10.769 8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.351 -11.325 10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.374 -12.307 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.795 -13.019 10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.596 -10.544 9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.127 -12.207 9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.257 -10.955 8.396 1.00 0.00 H new ATOM 850 N ASN A 58 4.807 -14.343 7.160 1.00 0.00 N ATOM 851 CA ASN A 58 6.067 -14.958 7.563 1.00 0.00 C ATOM 852 C ASN A 58 7.173 -14.638 6.561 1.00 0.00 C ATOM 853 O ASN A 58 8.250 -14.178 6.937 1.00 0.00 O ATOM 854 CB ASN A 58 5.901 -16.474 7.689 1.00 0.00 C ATOM 855 CG ASN A 58 5.485 -17.121 6.382 1.00 0.00 C ATOM 856 OD1 ASN A 58 6.328 -17.481 5.559 1.00 0.00 O ATOM 857 ND2 ASN A 58 4.181 -17.272 6.185 1.00 0.00 N ATOM 0 H ASN A 58 4.033 -14.999 7.050 1.00 0.00 H new ATOM 0 HA ASN A 58 6.349 -14.548 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.840 -16.913 8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.155 -16.693 8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.842 -17.701 5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.518 -16.959 6.894 1.00 0.00 H new ATOM 864 N GLY A 59 6.897 -14.885 5.284 1.00 0.00 N ATOM 865 CA GLY A 59 7.878 -14.618 4.248 1.00 0.00 C ATOM 866 C GLY A 59 7.858 -15.660 3.148 1.00 0.00 C ATOM 867 O GLY A 59 8.069 -16.845 3.401 1.00 0.00 O ATOM 0 H GLY A 59 6.012 -15.265 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.688 -13.635 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.872 -14.584 4.694 1.00 0.00 H new ATOM 871 N GLY A 60 7.601 -15.217 1.920 1.00 0.00 N ATOM 872 CA GLY A 60 7.556 -16.133 0.796 1.00 0.00 C ATOM 873 C GLY A 60 7.441 -15.414 -0.534 1.00 0.00 C ATOM 874 O GLY A 60 8.279 -14.576 -0.868 1.00 0.00 O ATOM 0 H GLY A 60 7.423 -14.241 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.456 -16.748 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.708 -16.808 0.915 1.00 0.00 H new ATOM 878 N GLU A 61 6.401 -15.742 -1.294 1.00 0.00 N ATOM 879 CA GLU A 61 6.182 -15.122 -2.596 1.00 0.00 C ATOM 880 C GLU A 61 5.739 -13.670 -2.439 1.00 0.00 C ATOM 881 O GLU A 61 4.751 -13.380 -1.762 1.00 0.00 O ATOM 882 CB GLU A 61 5.133 -15.904 -3.388 1.00 0.00 C ATOM 883 CG GLU A 61 5.287 -15.778 -4.894 1.00 0.00 C ATOM 884 CD GLU A 61 4.653 -16.932 -5.645 1.00 0.00 C ATOM 885 OE1 GLU A 61 3.612 -17.443 -5.180 1.00 0.00 O ATOM 886 OE2 GLU A 61 5.198 -17.325 -6.698 1.00 0.00 O ATOM 0 H GLU A 61 5.698 -16.432 -1.031 1.00 0.00 H new ATOM 0 HA GLU A 61 7.125 -15.139 -3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.193 -16.957 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.140 -15.555 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.835 -14.843 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.347 -15.726 -5.144 1.00 0.00 H new ATOM 893 N LEU A 62 6.476 -12.762 -3.069 1.00 0.00 N ATOM 894 CA LEU A 62 6.160 -11.339 -3.001 1.00 0.00 C ATOM 895 C LEU A 62 5.555 -10.852 -4.313 1.00 0.00 C ATOM 896 O LEU A 62 6.168 -10.971 -5.374 1.00 0.00 O ATOM 897 CB LEU A 62 7.418 -10.533 -2.675 1.00 0.00 C ATOM 898 CG LEU A 62 7.265 -9.011 -2.697 1.00 0.00 C ATOM 899 CD1 LEU A 62 7.197 -8.503 -4.129 1.00 0.00 C ATOM 900 CD2 LEU A 62 6.027 -8.589 -1.920 1.00 0.00 C ATOM 0 H LEU A 62 7.296 -12.985 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 62 5.426 -11.192 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.768 -10.829 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.197 -10.810 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 62 8.139 -8.569 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.088 -7.418 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.112 -8.774 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.342 -8.952 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.934 -7.503 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.143 -9.040 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.116 -8.921 -0.886 1.00 0.00 H new ATOM 912 N HIS A 63 4.348 -10.299 -4.234 1.00 0.00 N ATOM 913 CA HIS A 63 3.661 -9.790 -5.415 1.00 0.00 C ATOM 914 C HIS A 63 3.589 -8.266 -5.388 1.00 0.00 C ATOM 915 O HIS A 63 3.042 -7.678 -4.455 1.00 0.00 O ATOM 916 CB HIS A 63 2.252 -10.377 -5.504 1.00 0.00 C ATOM 917 CG HIS A 63 2.233 -11.868 -5.652 1.00 0.00 C ATOM 918 ND1 HIS A 63 1.727 -12.507 -6.764 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.663 -12.846 -4.821 1.00 0.00 C ATOM 920 CE1 HIS A 63 1.844 -13.814 -6.610 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.410 -14.046 -5.439 1.00 0.00 N ATOM 0 H HIS A 63 3.826 -10.192 -3.364 1.00 0.00 H new ATOM 0 HA HIS A 63 4.229 -10.094 -6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.695 -10.102 -4.608 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.733 -9.929 -6.352 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.120 -12.708 -3.852 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.530 -14.565 -7.320 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.624 -14.967 -5.056 1.00 0.00 H new ATOM 929 N ARG A 64 4.145 -7.634 -6.416 1.00 0.00 N ATOM 930 CA ARG A 64 4.146 -6.179 -6.508 1.00 0.00 C ATOM 931 C ARG A 64 3.063 -5.695 -7.468 1.00 0.00 C ATOM 932 O ARG A 64 3.037 -6.080 -8.637 1.00 0.00 O ATOM 933 CB ARG A 64 5.514 -5.676 -6.971 1.00 0.00 C ATOM 934 CG ARG A 64 5.657 -4.164 -6.920 1.00 0.00 C ATOM 935 CD ARG A 64 6.900 -3.696 -7.661 1.00 0.00 C ATOM 936 NE ARG A 64 6.716 -3.721 -9.109 1.00 0.00 N ATOM 937 CZ ARG A 64 7.720 -3.745 -9.978 1.00 0.00 C ATOM 938 NH1 ARG A 64 8.974 -3.750 -9.547 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.472 -3.767 -11.281 1.00 0.00 N ATOM 0 H ARG A 64 4.601 -8.106 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 64 3.936 -5.777 -5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.287 -6.127 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.690 -6.015 -7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.774 -3.699 -7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.707 -3.837 -5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.151 -2.683 -7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.743 -4.332 -7.392 1.00 0.00 H new ATOM 0 HE ARG A 64 5.763 -3.720 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.169 -3.735 -8.546 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.743 -3.768 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.509 -3.765 -11.617 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.244 -3.785 -11.947 1.00 0.00 H new ATOM 953 N LEU A 65 2.170 -4.849 -6.965 1.00 0.00 N ATOM 954 CA LEU A 65 1.084 -4.312 -7.778 1.00 0.00 C ATOM 955 C LEU A 65 1.260 -2.813 -8.001 1.00 0.00 C ATOM 956 O LEU A 65 1.602 -2.074 -7.078 1.00 0.00 O ATOM 957 CB LEU A 65 -0.264 -4.583 -7.106 1.00 0.00 C ATOM 958 CG LEU A 65 -0.540 -6.037 -6.720 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.775 -6.129 -5.838 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.705 -6.898 -7.963 1.00 0.00 C ATOM 0 H LEU A 65 2.177 -4.521 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 65 1.108 -4.811 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.329 -3.970 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.056 -4.249 -7.777 1.00 0.00 H new ATOM 0 HG LEU A 65 0.314 -6.411 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.956 -7.171 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.618 -5.546 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.637 -5.736 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.901 -7.929 -7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.541 -6.525 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.208 -6.858 -8.557 1.00 0.00 H new ATOM 972 N ASN A 66 1.024 -2.372 -9.232 1.00 0.00 N ATOM 973 CA ASN A 66 1.155 -0.960 -9.576 1.00 0.00 C ATOM 974 C ASN A 66 -0.179 -0.389 -10.047 1.00 0.00 C ATOM 975 O ASN A 66 -0.981 -1.088 -10.666 1.00 0.00 O ATOM 976 CB ASN A 66 2.214 -0.776 -10.665 1.00 0.00 C ATOM 977 CG ASN A 66 3.603 -1.161 -10.192 1.00 0.00 C ATOM 978 OD1 ASN A 66 3.781 -2.176 -9.518 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.594 -0.350 -10.543 1.00 0.00 N ATOM 0 H ASN A 66 0.741 -2.971 -10.008 1.00 0.00 H new ATOM 0 HA ASN A 66 1.465 -0.420 -8.681 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.948 -1.380 -11.532 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.219 0.264 -10.991 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.550 -0.557 -10.253 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.400 0.480 -11.103 1.00 0.00 H new ATOM 986 N ILE A 67 -0.408 0.886 -9.750 1.00 0.00 N ATOM 987 CA ILE A 67 -1.644 1.551 -10.145 1.00 0.00 C ATOM 988 C ILE A 67 -1.373 2.654 -11.163 1.00 0.00 C ATOM 989 O ILE A 67 -0.779 3.687 -10.853 1.00 0.00 O ATOM 990 CB ILE A 67 -2.369 2.157 -8.929 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.317 1.192 -7.743 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.811 2.490 -9.285 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.000 -0.131 -8.010 1.00 0.00 C ATOM 0 H ILE A 67 0.245 1.479 -9.238 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.282 0.791 -10.597 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.862 3.079 -8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.275 1.007 -7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.784 1.665 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.311 2.917 -8.416 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.827 3.210 -10.103 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.329 1.581 -9.591 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.924 -0.765 -7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.051 0.042 -8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.518 -0.625 -8.853 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.820 2.432 -12.408 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.640 3.397 -13.497 1.00 0.00 C ATOM 1007 C PRO A 68 -2.491 4.649 -13.309 1.00 0.00 C ATOM 1008 O PRO A 68 -2.517 5.528 -14.169 1.00 0.00 O ATOM 1009 CB PRO A 68 -2.096 2.622 -14.736 1.00 0.00 C ATOM 1010 CG PRO A 68 -3.042 1.596 -14.214 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.537 1.224 -12.848 1.00 0.00 C ATOM 0 HA PRO A 68 -0.613 3.758 -13.556 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.583 3.279 -15.457 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.252 2.159 -15.246 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.056 1.992 -14.161 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.074 0.725 -14.869 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.355 0.974 -12.172 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.878 0.357 -12.886 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.184 4.723 -12.178 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.036 5.868 -11.877 1.00 0.00 C ATOM 1021 C ASN A 69 -3.796 6.366 -10.455 1.00 0.00 C ATOM 1022 O ASN A 69 -4.047 5.665 -9.475 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.509 5.496 -12.057 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.412 6.713 -12.097 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.045 7.755 -12.642 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.601 6.587 -11.519 1.00 0.00 N ATOM 0 H ASN A 69 -3.173 4.004 -11.455 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.783 6.669 -12.571 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.627 4.929 -12.980 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.819 4.844 -11.240 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.252 7.372 -11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.863 5.705 -11.079 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.299 7.606 -10.338 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.016 8.227 -9.041 1.00 0.00 C ATOM 1035 C PRO A 70 -4.287 8.558 -8.266 1.00 0.00 C ATOM 1036 O PRO A 70 -4.228 9.017 -7.126 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.269 9.509 -9.416 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.728 9.824 -10.798 1.00 0.00 C ATOM 1039 CD PRO A 70 -2.976 8.499 -11.464 1.00 0.00 C ATOM 0 HA PRO A 70 -2.450 7.564 -8.387 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.503 10.320 -8.726 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.189 9.363 -9.381 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.636 10.427 -10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.975 10.397 -11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.796 8.556 -12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.099 8.154 -12.012 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.435 8.321 -8.893 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.720 8.592 -8.261 1.00 0.00 C ATOM 1049 C ALA A 71 -7.320 7.320 -7.671 1.00 0.00 C ATOM 1050 O ALA A 71 -8.082 7.374 -6.706 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.680 9.214 -9.264 1.00 0.00 C ATOM 0 H ALA A 71 -5.501 7.942 -9.838 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.555 9.297 -7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.636 9.411 -8.779 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.262 10.149 -9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.831 8.528 -10.097 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.972 6.179 -8.256 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.478 4.895 -7.788 1.00 0.00 C ATOM 1059 C GLN A 72 -6.808 4.490 -6.479 1.00 0.00 C ATOM 1060 O GLN A 72 -5.676 4.004 -6.472 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.249 3.815 -8.847 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.546 2.408 -8.355 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.896 1.341 -9.213 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.768 1.497 -10.428 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.481 0.247 -8.585 1.00 0.00 N ATOM 0 H GLN A 72 -6.341 6.118 -9.055 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.548 4.998 -7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.876 4.028 -9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.213 3.862 -9.184 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.197 2.305 -7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.625 2.252 -8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.607 0.159 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.036 -0.505 -9.111 1.00 0.00 H new ATOM 1074 N THR A 73 -7.513 4.694 -5.371 1.00 0.00 N ATOM 1075 CA THR A 73 -6.986 4.352 -4.056 1.00 0.00 C ATOM 1076 C THR A 73 -7.576 3.040 -3.551 1.00 0.00 C ATOM 1077 O THR A 73 -7.842 2.885 -2.359 1.00 0.00 O ATOM 1078 CB THR A 73 -7.278 5.461 -3.027 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.691 5.593 -2.837 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.697 6.790 -3.486 1.00 0.00 C ATOM 0 H THR A 73 -8.451 5.095 -5.358 1.00 0.00 H new ATOM 0 HA THR A 73 -5.907 4.244 -4.167 1.00 0.00 H new ATOM 0 HB THR A 73 -6.809 5.183 -2.083 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.868 6.299 -2.180 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.915 7.558 -2.744 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.617 6.694 -3.602 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.141 7.071 -4.441 1.00 0.00 H new ATOM 1088 N SER A 74 -7.777 2.096 -4.466 1.00 0.00 N ATOM 1089 CA SER A 74 -8.338 0.797 -4.114 1.00 0.00 C ATOM 1090 C SER A 74 -7.962 -0.256 -5.151 1.00 0.00 C ATOM 1091 O SER A 74 -8.251 -0.106 -6.338 1.00 0.00 O ATOM 1092 CB SER A 74 -9.860 0.891 -3.994 1.00 0.00 C ATOM 1093 OG SER A 74 -10.435 1.400 -5.185 1.00 0.00 O ATOM 0 H SER A 74 -7.560 2.207 -5.456 1.00 0.00 H new ATOM 0 HA SER A 74 -7.923 0.498 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.273 -0.095 -3.780 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.123 1.536 -3.155 1.00 0.00 H new ATOM 0 HG SER A 74 -9.867 1.165 -5.949 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.316 -1.324 -4.694 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.901 -2.404 -5.581 1.00 0.00 C ATOM 1101 C VAL A 75 -7.386 -3.755 -5.066 1.00 0.00 C ATOM 1102 O VAL A 75 -7.269 -4.057 -3.878 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.369 -2.446 -5.735 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.698 -2.560 -4.375 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -4.956 -3.597 -6.640 1.00 0.00 C ATOM 0 H VAL A 75 -7.069 -1.464 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.351 -2.206 -6.554 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.042 -1.515 -6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.616 -2.588 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.968 -1.699 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.028 -3.474 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.870 -3.612 -6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.294 -4.539 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.407 -3.466 -7.624 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.931 -4.565 -5.969 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.433 -5.885 -5.607 1.00 0.00 C ATOM 1117 C VAL A 76 -7.355 -6.949 -5.780 1.00 0.00 C ATOM 1118 O VAL A 76 -6.869 -7.181 -6.887 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.660 -6.270 -6.454 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -10.095 -7.695 -6.146 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.800 -5.292 -6.215 1.00 0.00 C ATOM 0 H VAL A 76 -8.036 -4.330 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.726 -5.836 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.384 -6.220 -7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.963 -7.950 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.279 -8.381 -6.373 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.355 -7.776 -5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.659 -5.579 -6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.078 -5.308 -5.161 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.481 -4.287 -6.491 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.986 -7.594 -4.678 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.966 -8.636 -4.708 1.00 0.00 C ATOM 1133 C VAL A 77 -6.598 -10.021 -4.788 1.00 0.00 C ATOM 1134 O VAL A 77 -7.564 -10.315 -4.086 1.00 0.00 O ATOM 1135 CB VAL A 77 -5.059 -8.569 -3.465 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -4.045 -9.703 -3.482 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.361 -7.220 -3.387 1.00 0.00 C ATOM 0 H VAL A 77 -7.378 -7.414 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.362 -8.463 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.680 -8.683 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.413 -9.639 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.568 -10.659 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.426 -9.624 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.724 -7.190 -2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.751 -7.074 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.107 -6.428 -3.324 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.044 -10.869 -5.650 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.554 -12.224 -5.822 1.00 0.00 C ATOM 1149 C GLU A 78 -5.409 -13.226 -5.937 1.00 0.00 C ATOM 1150 O GLU A 78 -4.237 -12.855 -5.879 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.444 -12.304 -7.064 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.745 -11.531 -6.932 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.847 -12.087 -7.813 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.014 -13.325 -7.842 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.541 -11.286 -8.473 1.00 0.00 O ATOM 0 H GLU A 78 -5.243 -10.641 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.147 -12.476 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.890 -11.923 -7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.672 -13.350 -7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.071 -11.552 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.570 -10.487 -7.191 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.758 -14.498 -6.100 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.761 -15.554 -6.225 1.00 0.00 C ATOM 1164 C ASP A 79 -3.939 -15.679 -4.945 1.00 0.00 C ATOM 1165 O ASP A 79 -2.709 -15.738 -4.988 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.838 -15.277 -7.413 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.376 -15.851 -8.709 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -5.542 -15.560 -9.048 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -3.630 -16.592 -9.384 1.00 0.00 O ATOM 0 H ASP A 79 -6.724 -14.822 -6.149 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.284 -16.495 -6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.705 -14.201 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.854 -15.701 -7.212 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.626 -15.718 -3.809 1.00 0.00 N ATOM 1175 CA LEU A 80 -3.960 -15.835 -2.516 1.00 0.00 C ATOM 1176 C LEU A 80 -4.186 -17.217 -1.910 1.00 0.00 C ATOM 1177 O LEU A 80 -4.927 -18.034 -2.459 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.469 -14.756 -1.559 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.371 -13.315 -2.060 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.437 -12.449 -1.405 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -2.984 -12.749 -1.792 1.00 0.00 C ATOM 0 H LEU A 80 -5.644 -15.670 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.890 -15.698 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.512 -14.968 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.911 -14.834 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.540 -13.313 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.352 -11.427 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.424 -12.841 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.299 -12.458 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.933 -11.723 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.785 -12.765 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.238 -13.354 -2.308 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.546 -17.471 -0.774 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.678 -18.753 -0.091 1.00 0.00 C ATOM 1195 C LEU A 81 -4.598 -18.632 1.120 1.00 0.00 C ATOM 1196 O LEU A 81 -4.514 -17.684 1.901 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.305 -19.265 0.346 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.474 -19.961 -0.733 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.043 -20.162 -0.257 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -2.103 -21.292 -1.115 1.00 0.00 C ATOM 0 H LEU A 81 -2.930 -16.806 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.118 -19.465 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.731 -18.422 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.445 -19.960 1.174 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.455 -19.324 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.534 -20.659 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.406 -19.194 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.042 -20.778 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.498 -21.773 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.153 -21.936 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.109 -21.122 -1.498 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.495 -19.615 1.283 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.445 -19.643 2.398 1.00 0.00 C ATOM 1214 C PRO A 82 -5.762 -19.912 3.735 1.00 0.00 C ATOM 1215 O PRO A 82 -4.765 -20.630 3.800 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.384 -20.796 2.036 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.572 -21.684 1.157 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.651 -20.776 0.390 1.00 0.00 C ATOM 0 HA PRO A 82 -6.952 -18.686 2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.724 -21.324 2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.274 -20.435 1.520 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.007 -22.406 1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.210 -22.254 0.482 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.694 -21.256 0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.078 -20.489 -0.571 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.306 -19.331 4.800 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.749 -19.509 6.136 1.00 0.00 C ATOM 1228 C ASN A 83 -4.261 -19.171 6.153 1.00 0.00 C ATOM 1229 O ASN A 83 -3.453 -19.905 6.723 1.00 0.00 O ATOM 1230 CB ASN A 83 -5.962 -20.947 6.613 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.407 -21.225 6.980 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.695 -21.764 8.049 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.324 -20.859 6.092 1.00 0.00 N ATOM 0 H ASN A 83 -7.132 -18.733 4.764 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.267 -18.829 6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.650 -21.637 5.829 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.327 -21.138 7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.313 -21.022 6.283 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.040 -20.415 5.219 1.00 0.00 H new ATOM 1240 N HIS A 84 -3.906 -18.055 5.525 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.515 -17.618 5.470 1.00 0.00 C ATOM 1242 C HIS A 84 -2.417 -16.100 5.585 1.00 0.00 C ATOM 1243 O HIS A 84 -3.073 -15.368 4.844 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.863 -18.086 4.168 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.416 -19.515 4.201 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.291 -20.579 4.141 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.177 -20.052 4.286 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.609 -21.709 4.190 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.324 -21.418 4.278 1.00 0.00 N ATOM 0 H HIS A 84 -4.562 -17.437 5.047 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.986 -18.063 6.313 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.570 -17.954 3.349 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.004 -17.450 3.953 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.306 -20.505 4.070 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.754 -19.508 4.348 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.031 -22.703 4.163 1.00 0.00 H new ATOM 1257 N SER A 85 -1.594 -15.635 6.520 1.00 0.00 N ATOM 1258 CA SER A 85 -1.414 -14.204 6.735 1.00 0.00 C ATOM 1259 C SER A 85 -0.644 -13.573 5.579 1.00 0.00 C ATOM 1260 O SER A 85 0.128 -14.244 4.893 1.00 0.00 O ATOM 1261 CB SER A 85 -0.675 -13.954 8.051 1.00 0.00 C ATOM 1262 OG SER A 85 -1.435 -14.411 9.157 1.00 0.00 O ATOM 0 H SER A 85 -1.042 -16.228 7.140 1.00 0.00 H new ATOM 0 HA SER A 85 -2.400 -13.743 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.289 -14.463 8.033 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.471 -12.889 8.161 1.00 0.00 H new ATOM 0 HG SER A 85 -0.941 -14.242 9.986 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.860 -12.279 5.369 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.189 -11.557 4.295 1.00 0.00 C ATOM 1270 C TYR A 86 0.066 -10.106 4.690 1.00 0.00 C ATOM 1271 O TYR A 86 -0.859 -9.375 5.045 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.027 -11.609 3.016 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.866 -12.896 2.239 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.181 -13.064 1.342 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.763 -13.945 2.403 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.331 -14.238 0.630 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.620 -15.124 1.696 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.572 -15.265 0.810 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.426 -16.437 0.104 1.00 0.00 O ATOM 0 H TYR A 86 -1.494 -11.709 5.928 1.00 0.00 H new ATOM 0 HA TYR A 86 0.771 -12.039 4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.078 -11.480 3.275 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.751 -10.771 2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.890 -12.262 1.199 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.586 -13.837 3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.151 -14.351 -0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.325 -15.930 1.836 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.004 -17.112 0.675 1.00 0.00 H new ATOM 1289 N VAL A 87 1.328 -9.695 4.626 1.00 0.00 N ATOM 1290 CA VAL A 87 1.707 -8.331 4.975 1.00 0.00 C ATOM 1291 C VAL A 87 1.565 -7.397 3.778 1.00 0.00 C ATOM 1292 O VAL A 87 2.388 -7.415 2.862 1.00 0.00 O ATOM 1293 CB VAL A 87 3.156 -8.266 5.494 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.131 -8.700 4.411 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.483 -6.864 5.986 1.00 0.00 C ATOM 0 H VAL A 87 2.106 -10.287 4.336 1.00 0.00 H new ATOM 0 HA VAL A 87 1.031 -8.008 5.766 1.00 0.00 H new ATOM 0 HB VAL A 87 3.254 -8.954 6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.149 -8.648 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.909 -9.724 4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.035 -8.040 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.510 -6.836 6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.369 -6.155 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.805 -6.595 6.796 1.00 0.00 H new ATOM 1305 N PHE A 88 0.517 -6.581 3.792 1.00 0.00 N ATOM 1306 CA PHE A 88 0.266 -5.640 2.707 1.00 0.00 C ATOM 1307 C PHE A 88 0.890 -4.281 3.010 1.00 0.00 C ATOM 1308 O PHE A 88 0.587 -3.660 4.029 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.238 -5.483 2.477 1.00 0.00 C ATOM 1310 CG PHE A 88 -1.858 -6.641 1.748 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.073 -7.848 2.393 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.225 -6.522 0.417 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.642 -8.915 1.725 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.795 -7.586 -0.257 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.004 -8.784 0.398 1.00 0.00 C ATOM 0 H PHE A 88 -0.173 -6.552 4.543 1.00 0.00 H new ATOM 0 HA PHE A 88 0.725 -6.037 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.734 -5.363 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.417 -4.569 1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.792 -7.956 3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.064 -5.587 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.804 -9.851 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.077 -7.481 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.449 -9.617 -0.126 1.00 0.00 H new ATOM 1325 N ARG A 89 1.765 -3.826 2.119 1.00 0.00 N ATOM 1326 CA ARG A 89 2.433 -2.542 2.292 1.00 0.00 C ATOM 1327 C ARG A 89 2.159 -1.622 1.106 1.00 0.00 C ATOM 1328 O ARG A 89 2.733 -1.790 0.030 1.00 0.00 O ATOM 1329 CB ARG A 89 3.941 -2.746 2.455 1.00 0.00 C ATOM 1330 CG ARG A 89 4.312 -3.623 3.638 1.00 0.00 C ATOM 1331 CD ARG A 89 5.682 -3.263 4.191 1.00 0.00 C ATOM 1332 NE ARG A 89 6.303 -4.384 4.891 1.00 0.00 N ATOM 1333 CZ ARG A 89 6.940 -5.374 4.275 1.00 0.00 C ATOM 1334 NH1 ARG A 89 7.040 -5.380 2.953 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.478 -6.359 4.981 1.00 0.00 N ATOM 0 H ARG A 89 2.028 -4.327 1.270 1.00 0.00 H new ATOM 0 HA ARG A 89 2.037 -2.073 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.339 -3.192 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.420 -1.774 2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.562 -3.515 4.422 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.305 -4.669 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.329 -2.942 3.375 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.587 -2.418 4.873 1.00 0.00 H new ATOM 0 HE ARG A 89 6.245 -4.408 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.628 -4.624 2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.529 -6.141 2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.403 -6.357 5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.967 -7.118 4.507 1.00 0.00 H new ATOM 1349 N VAL A 90 1.277 -0.648 1.311 1.00 0.00 N ATOM 1350 CA VAL A 90 0.926 0.299 0.259 1.00 0.00 C ATOM 1351 C VAL A 90 1.781 1.558 0.346 1.00 0.00 C ATOM 1352 O VAL A 90 2.347 1.865 1.396 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.561 0.695 0.334 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.893 1.724 -0.736 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.446 -0.534 0.197 1.00 0.00 C ATOM 0 H VAL A 90 0.793 -0.494 2.196 1.00 0.00 H new ATOM 0 HA VAL A 90 1.114 -0.199 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.752 1.145 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.947 1.992 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.282 2.614 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.688 1.304 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.493 -0.236 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.255 -1.014 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.225 -1.233 1.003 1.00 0.00 H new ATOM 1365 N ARG A 91 1.870 2.284 -0.763 1.00 0.00 N ATOM 1366 CA ARG A 91 2.657 3.510 -0.813 1.00 0.00 C ATOM 1367 C ARG A 91 2.277 4.352 -2.028 1.00 0.00 C ATOM 1368 O ARG A 91 1.540 3.899 -2.902 1.00 0.00 O ATOM 1369 CB ARG A 91 4.151 3.182 -0.854 1.00 0.00 C ATOM 1370 CG ARG A 91 4.521 2.162 -1.918 1.00 0.00 C ATOM 1371 CD ARG A 91 6.025 1.942 -1.979 1.00 0.00 C ATOM 1372 NE ARG A 91 6.460 0.881 -1.073 1.00 0.00 N ATOM 1373 CZ ARG A 91 7.734 0.563 -0.872 1.00 0.00 C ATOM 1374 NH1 ARG A 91 8.693 1.221 -1.509 1.00 0.00 N ATOM 1375 NH2 ARG A 91 8.050 -0.414 -0.032 1.00 0.00 N ATOM 0 H ARG A 91 1.407 2.044 -1.640 1.00 0.00 H new ATOM 0 HA ARG A 91 2.443 4.085 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.711 4.100 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.459 2.805 0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.022 1.216 -1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.162 2.501 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.313 1.688 -2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.538 2.869 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 91 5.746 0.356 -0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.453 1.973 -2.155 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.671 0.975 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.315 -0.921 0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.028 -0.658 0.122 1.00 0.00 H new ATOM 1389 N ALA A 92 2.786 5.578 -2.074 1.00 0.00 N ATOM 1390 CA ALA A 92 2.502 6.482 -3.182 1.00 0.00 C ATOM 1391 C ALA A 92 3.787 7.061 -3.762 1.00 0.00 C ATOM 1392 O ALA A 92 4.803 7.154 -3.073 1.00 0.00 O ATOM 1393 CB ALA A 92 1.576 7.600 -2.726 1.00 0.00 C ATOM 0 H ALA A 92 3.397 5.969 -1.357 1.00 0.00 H new ATOM 0 HA ALA A 92 2.006 5.911 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.372 8.268 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.640 7.173 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.052 8.161 -1.922 1.00 0.00 H new ATOM 1399 N GLN A 93 3.736 7.447 -5.033 1.00 0.00 N ATOM 1400 CA GLN A 93 4.898 8.015 -5.706 1.00 0.00 C ATOM 1401 C GLN A 93 4.598 9.420 -6.218 1.00 0.00 C ATOM 1402 O GLN A 93 3.480 9.711 -6.641 1.00 0.00 O ATOM 1403 CB GLN A 93 5.331 7.118 -6.867 1.00 0.00 C ATOM 1404 CG GLN A 93 6.498 7.677 -7.665 1.00 0.00 C ATOM 1405 CD GLN A 93 7.177 6.625 -8.520 1.00 0.00 C ATOM 1406 OE1 GLN A 93 8.405 6.538 -8.559 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.380 5.818 -9.211 1.00 0.00 N ATOM 0 H GLN A 93 2.903 7.377 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 93 5.711 8.078 -4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.605 6.138 -6.476 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.483 6.968 -7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.142 8.485 -8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.227 8.110 -6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.368 5.926 -9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.780 5.091 -9.804 1.00 0.00 H new ATOM 1416 N SER A 94 5.604 10.288 -6.175 1.00 0.00 N ATOM 1417 CA SER A 94 5.447 11.664 -6.631 1.00 0.00 C ATOM 1418 C SER A 94 6.674 12.121 -7.413 1.00 0.00 C ATOM 1419 O SER A 94 7.714 11.463 -7.396 1.00 0.00 O ATOM 1420 CB SER A 94 5.212 12.594 -5.439 1.00 0.00 C ATOM 1421 OG SER A 94 6.421 12.848 -4.745 1.00 0.00 O ATOM 0 H SER A 94 6.537 10.062 -5.829 1.00 0.00 H new ATOM 0 HA SER A 94 4.581 11.705 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.784 13.534 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.487 12.145 -4.760 1.00 0.00 H new ATOM 0 HG SER A 94 6.327 13.665 -4.212 1.00 0.00 H new ATOM 1427 N GLN A 95 6.544 13.253 -8.098 1.00 0.00 N ATOM 1428 CA GLN A 95 7.642 13.798 -8.888 1.00 0.00 C ATOM 1429 C GLN A 95 8.984 13.517 -8.221 1.00 0.00 C ATOM 1430 O GLN A 95 9.964 13.193 -8.890 1.00 0.00 O ATOM 1431 CB GLN A 95 7.460 15.304 -9.081 1.00 0.00 C ATOM 1432 CG GLN A 95 8.393 15.901 -10.122 1.00 0.00 C ATOM 1433 CD GLN A 95 8.195 15.297 -11.498 1.00 0.00 C ATOM 1434 OE1 GLN A 95 7.348 15.749 -12.271 1.00 0.00 O ATOM 1435 NE2 GLN A 95 8.976 14.271 -11.813 1.00 0.00 N ATOM 0 H GLN A 95 5.690 13.810 -8.122 1.00 0.00 H new ATOM 0 HA GLN A 95 7.633 13.310 -9.863 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.429 15.502 -9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.624 15.806 -8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.231 16.978 -10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.426 15.750 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.664 13.929 -11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.888 13.824 -12.726 1.00 0.00 H new ATOM 1444 N GLU A 96 9.020 13.645 -6.898 1.00 0.00 N ATOM 1445 CA GLU A 96 10.243 13.406 -6.141 1.00 0.00 C ATOM 1446 C GLU A 96 10.631 11.931 -6.186 1.00 0.00 C ATOM 1447 O GLU A 96 11.691 11.571 -6.698 1.00 0.00 O ATOM 1448 CB GLU A 96 10.067 13.854 -4.689 1.00 0.00 C ATOM 1449 CG GLU A 96 10.134 15.361 -4.505 1.00 0.00 C ATOM 1450 CD GLU A 96 11.548 15.899 -4.607 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.122 15.850 -5.716 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.081 16.368 -3.580 1.00 0.00 O ATOM 0 H GLU A 96 8.217 13.913 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 96 11.042 13.989 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.107 13.494 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.839 13.387 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.511 15.843 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.719 15.623 -3.532 1.00 0.00 H new ATOM 1459 N GLY A 97 9.765 11.080 -5.645 1.00 0.00 N ATOM 1460 CA GLY A 97 10.034 9.654 -5.632 1.00 0.00 C ATOM 1461 C GLY A 97 9.109 8.897 -4.699 1.00 0.00 C ATOM 1462 O GLY A 97 8.156 9.465 -4.165 1.00 0.00 O ATOM 0 H GLY A 97 8.881 11.353 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.929 9.259 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.068 9.485 -5.330 1.00 0.00 H new ATOM 1466 N TRP A 98 9.389 7.614 -4.505 1.00 0.00 N ATOM 1467 CA TRP A 98 8.573 6.778 -3.632 1.00 0.00 C ATOM 1468 C TRP A 98 8.839 7.100 -2.165 1.00 0.00 C ATOM 1469 O TRP A 98 9.974 7.019 -1.698 1.00 0.00 O ATOM 1470 CB TRP A 98 8.853 5.298 -3.900 1.00 0.00 C ATOM 1471 CG TRP A 98 8.409 4.846 -5.258 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.181 4.738 -6.379 1.00 0.00 C ATOM 1473 CD2 TRP A 98 7.088 4.444 -5.638 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.421 4.292 -7.433 1.00 0.00 N ATOM 1475 CE2 TRP A 98 7.133 4.104 -7.004 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.873 4.337 -4.957 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 6.009 3.666 -7.699 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.758 3.902 -5.649 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.832 3.570 -7.008 1.00 0.00 C ATOM 0 H TRP A 98 10.174 7.130 -4.940 1.00 0.00 H new ATOM 0 HA TRP A 98 7.525 6.987 -3.847 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.922 5.113 -3.795 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.350 4.697 -3.142 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.235 4.969 -6.430 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.760 4.128 -8.381 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.806 4.589 -3.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.064 3.411 -8.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.813 3.817 -5.133 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.943 3.232 -7.520 1.00 0.00 H new ATOM 1490 N GLY A 99 7.784 7.467 -1.444 1.00 0.00 N ATOM 1491 CA GLY A 99 7.925 7.796 -0.037 1.00 0.00 C ATOM 1492 C GLY A 99 7.836 6.575 0.856 1.00 0.00 C ATOM 1493 O GLY A 99 8.375 5.517 0.528 1.00 0.00 O ATOM 0 H GLY A 99 6.834 7.542 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.883 8.290 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.149 8.507 0.246 1.00 0.00 H new ATOM 1497 N ARG A 100 7.157 6.720 1.989 1.00 0.00 N ATOM 1498 CA ARG A 100 7.002 5.621 2.934 1.00 0.00 C ATOM 1499 C ARG A 100 5.792 4.763 2.576 1.00 0.00 C ATOM 1500 O ARG A 100 5.033 5.093 1.665 1.00 0.00 O ATOM 1501 CB ARG A 100 6.856 6.160 4.357 1.00 0.00 C ATOM 1502 CG ARG A 100 8.162 6.653 4.959 1.00 0.00 C ATOM 1503 CD ARG A 100 8.890 5.541 5.696 1.00 0.00 C ATOM 1504 NE ARG A 100 10.332 5.769 5.746 1.00 0.00 N ATOM 1505 CZ ARG A 100 11.127 5.250 6.675 1.00 0.00 C ATOM 1506 NH1 ARG A 100 10.623 4.476 7.626 1.00 0.00 N ATOM 1507 NH2 ARG A 100 12.429 5.504 6.654 1.00 0.00 N ATOM 0 H ARG A 100 6.705 7.589 2.275 1.00 0.00 H new ATOM 0 HA ARG A 100 7.896 4.999 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.135 6.978 4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.446 5.376 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.802 7.047 4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.960 7.475 5.646 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.500 5.463 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.690 4.589 5.204 1.00 0.00 H new ATOM 0 HE ARG A 100 10.752 6.359 5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.623 4.278 7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.236 4.079 8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.821 6.099 5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 100 13.038 5.105 7.368 1.00 0.00 H new ATOM 1521 N GLU A 101 5.619 3.662 3.300 1.00 0.00 N ATOM 1522 CA GLU A 101 4.501 2.757 3.058 1.00 0.00 C ATOM 1523 C GLU A 101 3.752 2.458 4.353 1.00 0.00 C ATOM 1524 O GLU A 101 4.199 2.826 5.440 1.00 0.00 O ATOM 1525 CB GLU A 101 4.999 1.452 2.431 1.00 0.00 C ATOM 1526 CG GLU A 101 6.063 0.748 3.256 1.00 0.00 C ATOM 1527 CD GLU A 101 5.663 0.585 4.709 1.00 0.00 C ATOM 1528 OE1 GLU A 101 4.633 -0.070 4.971 1.00 0.00 O ATOM 1529 OE2 GLU A 101 6.380 1.114 5.585 1.00 0.00 O ATOM 0 H GLU A 101 6.238 3.375 4.058 1.00 0.00 H new ATOM 0 HA GLU A 101 3.815 3.246 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.153 0.779 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.401 1.665 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.261 -0.234 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.993 1.313 3.201 1.00 0.00 H new ATOM 1536 N ARG A 102 2.610 1.790 4.229 1.00 0.00 N ATOM 1537 CA ARG A 102 1.798 1.443 5.389 1.00 0.00 C ATOM 1538 C ARG A 102 1.582 -0.065 5.471 1.00 0.00 C ATOM 1539 O ARG A 102 1.007 -0.669 4.566 1.00 0.00 O ATOM 1540 CB ARG A 102 0.447 2.159 5.324 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.502 1.772 6.447 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.007 2.277 7.793 1.00 0.00 C ATOM 1543 NE ARG A 102 -0.267 3.703 7.972 1.00 0.00 N ATOM 1544 CZ ARG A 102 0.397 4.469 8.831 1.00 0.00 C ATOM 1545 NH1 ARG A 102 1.355 3.949 9.585 1.00 0.00 N ATOM 1546 NH2 ARG A 102 0.103 5.759 8.936 1.00 0.00 N ATOM 0 H ARG A 102 2.226 1.478 3.337 1.00 0.00 H new ATOM 0 HA ARG A 102 2.331 1.765 6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.614 3.236 5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.026 1.938 4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.492 2.181 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.606 0.687 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.493 1.717 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.063 2.090 7.879 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.998 4.134 7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 102 1.584 2.958 9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.863 4.540 10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.633 6.163 8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.613 6.346 9.596 1.00 0.00 H new ATOM 1560 N GLU A 103 2.049 -0.666 6.561 1.00 0.00 N ATOM 1561 CA GLU A 103 1.908 -2.104 6.759 1.00 0.00 C ATOM 1562 C GLU A 103 0.470 -2.465 7.120 1.00 0.00 C ATOM 1563 O GLU A 103 -0.155 -1.811 7.953 1.00 0.00 O ATOM 1564 CB GLU A 103 2.858 -2.585 7.858 1.00 0.00 C ATOM 1565 CG GLU A 103 3.321 -4.020 7.677 1.00 0.00 C ATOM 1566 CD GLU A 103 3.881 -4.618 8.953 1.00 0.00 C ATOM 1567 OE1 GLU A 103 3.351 -4.300 10.039 1.00 0.00 O ATOM 1568 OE2 GLU A 103 4.848 -5.403 8.867 1.00 0.00 O ATOM 0 H GLU A 103 2.528 -0.180 7.319 1.00 0.00 H new ATOM 0 HA GLU A 103 2.165 -2.601 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.730 -1.931 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.360 -2.492 8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.484 -4.627 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.083 -4.056 6.898 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.048 -3.512 6.485 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.408 -3.943 6.751 1.00 0.00 C ATOM 1577 C GLY A 104 -1.580 -5.442 6.608 1.00 0.00 C ATOM 1578 O GLY A 104 -1.969 -5.931 5.547 1.00 0.00 O ATOM 0 H GLY A 104 0.450 -4.069 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.690 -3.643 7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.087 -3.436 6.066 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.289 -6.175 7.678 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.413 -7.627 7.667 1.00 0.00 C ATOM 1584 C VAL A 105 -2.877 -8.054 7.641 1.00 0.00 C ATOM 1585 O VAL A 105 -3.740 -7.378 8.201 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.727 -8.259 8.893 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -1.202 -7.590 10.174 1.00 0.00 C ATOM 1588 CG2 VAL A 105 -0.988 -9.757 8.936 1.00 0.00 C ATOM 0 H VAL A 105 -0.966 -5.786 8.564 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.919 -7.979 6.762 1.00 0.00 H new ATOM 0 HB VAL A 105 0.348 -8.103 8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.707 -8.049 11.030 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.959 -6.528 10.141 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.281 -7.713 10.270 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.496 -10.187 9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.061 -9.938 8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.594 -10.221 8.032 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.148 -9.178 6.988 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.508 -9.696 6.891 1.00 0.00 C ATOM 1600 C ILE A 106 -4.536 -11.208 7.087 1.00 0.00 C ATOM 1601 O ILE A 106 -3.586 -11.909 6.736 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.144 -9.354 5.531 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.627 -9.732 5.527 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.407 -10.067 4.407 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.498 -8.770 6.304 1.00 0.00 C ATOM 0 H ILE A 106 -2.445 -9.748 6.518 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.085 -9.219 7.683 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.062 -8.279 5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.979 -9.777 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.740 -10.732 5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.868 -9.815 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.363 -9.753 4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.461 -11.144 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.536 -9.100 6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.172 -8.742 7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.415 -7.773 5.871 1.00 0.00 H new ATOM 1617 N THR A 107 -5.633 -11.706 7.650 1.00 0.00 N ATOM 1618 CA THR A 107 -5.786 -13.134 7.892 1.00 0.00 C ATOM 1619 C THR A 107 -7.023 -13.682 7.190 1.00 0.00 C ATOM 1620 O THR A 107 -8.150 -13.305 7.515 1.00 0.00 O ATOM 1621 CB THR A 107 -5.886 -13.441 9.399 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.701 -12.998 10.069 1.00 0.00 O ATOM 1623 CG2 THR A 107 -6.083 -14.930 9.636 1.00 0.00 C ATOM 0 H THR A 107 -6.428 -11.140 7.947 1.00 0.00 H new ATOM 0 HA THR A 107 -4.898 -13.620 7.488 1.00 0.00 H new ATOM 0 HB THR A 107 -6.749 -12.909 9.799 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.773 -13.195 11.026 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.151 -15.122 10.707 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.002 -15.257 9.150 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.238 -15.479 9.222 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.806 -14.572 6.228 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.905 -15.172 5.482 1.00 0.00 C ATOM 1633 C ILE A 108 -8.701 -16.136 6.355 1.00 0.00 C ATOM 1634 O ILE A 108 -8.242 -17.237 6.658 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.396 -15.925 4.238 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.540 -15.000 3.371 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.566 -16.477 3.437 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.293 -13.802 2.837 1.00 0.00 C ATOM 0 H ILE A 108 -5.880 -14.893 5.947 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.553 -14.355 5.163 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.778 -16.761 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.689 -14.652 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.139 -15.570 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.190 -17.006 2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.140 -17.165 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.207 -15.656 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.623 -13.191 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.128 -14.141 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.671 -13.209 3.670 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.897 -15.715 6.755 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.757 -16.542 7.593 1.00 0.00 C ATOM 1652 C GLU A 109 -11.985 -17.009 6.817 1.00 0.00 C ATOM 1653 O GLU A 109 -12.920 -16.241 6.593 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.191 -15.767 8.838 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.099 -15.639 9.887 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.314 -14.458 10.813 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -11.477 -14.033 10.972 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -9.319 -13.959 11.378 1.00 0.00 O ATOM 0 H GLU A 109 -10.292 -14.806 6.512 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.187 -17.419 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.516 -14.770 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.054 -16.264 9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.058 -16.555 10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.134 -15.536 9.391 1.00 0.00 H new