USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -5.3! C(o=-5.3!,f=-6.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -1.19 (180deg=-2.57) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0297 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 141:sc= -0.127 (180deg=-2.37!) USER MOD Single : A 39 TYR OH : rot -124:sc= 1.24 USER MOD Single : A 52 ASN : amide:sc= -4.97 K(o=-5,f=-8.7!) USER MOD Single : A 55 MET CE :methyl 159:sc= -1.61 (180deg=-3.36) USER MOD Single : A 60 GLN :FLIP amide:sc= -4.98! C(o=-11!,f=-5!) USER MOD Single : A 65 ASN :FLIP amide:sc= -2.2 F(o=-2.8!,f=-2.2) USER MOD Single : A 72 MET CE :methyl -163:sc= -1.08 (180deg=-1.84) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 8.823 -4.076 -3.680 1.00 0.00 N ATOM 149 CA PHE A 13 9.342 -3.390 -2.502 1.00 0.00 C ATOM 150 C PHE A 13 8.207 -2.792 -1.677 1.00 0.00 C ATOM 151 O PHE A 13 7.154 -2.440 -2.210 1.00 0.00 O ATOM 152 CB PHE A 13 10.321 -2.290 -2.917 1.00 0.00 C ATOM 153 CG PHE A 13 9.647 -1.042 -3.410 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.271 -0.920 -4.738 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.389 0.010 -2.545 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.650 0.227 -5.195 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.768 1.159 -2.996 1.00 0.00 C ATOM 158 CZ PHE A 13 8.399 1.269 -4.323 1.00 0.00 C ATOM 0 HA PHE A 13 9.867 -4.121 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 13 10.955 -2.039 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 13 10.975 -2.673 -3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.466 -1.731 -5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.677 -0.069 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.361 0.309 -6.232 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.571 1.971 -2.312 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.916 2.167 -4.678 1.00 0.00 H new ATOM 168 N THR A 14 8.429 -2.679 -0.371 1.00 0.00 N ATOM 169 CA THR A 14 7.425 -2.125 0.529 1.00 0.00 C ATOM 170 C THR A 14 7.645 -0.632 0.747 1.00 0.00 C ATOM 171 O THR A 14 8.740 -0.117 0.522 1.00 0.00 O ATOM 172 CB THR A 14 7.440 -2.839 1.894 1.00 0.00 C ATOM 173 OG1 THR A 14 8.742 -2.743 2.483 1.00 0.00 O ATOM 174 CG2 THR A 14 7.052 -4.302 1.744 1.00 0.00 C ATOM 0 H THR A 14 9.295 -2.964 0.087 1.00 0.00 H new ATOM 0 HA THR A 14 6.456 -2.281 0.056 1.00 0.00 H new ATOM 0 HB THR A 14 6.712 -2.351 2.542 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.743 -3.198 3.351 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.070 -4.785 2.721 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.049 -4.371 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.759 -4.800 1.080 1.00 0.00 H new ATOM 182 N VAL A 15 6.598 0.058 1.186 1.00 0.00 N ATOM 183 CA VAL A 15 6.677 1.492 1.436 1.00 0.00 C ATOM 184 C VAL A 15 6.442 1.808 2.909 1.00 0.00 C ATOM 185 O VAL A 15 5.711 1.095 3.597 1.00 0.00 O ATOM 186 CB VAL A 15 5.653 2.268 0.586 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.779 3.764 0.831 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.832 1.944 -0.890 1.00 0.00 C ATOM 0 H VAL A 15 5.684 -0.353 1.376 1.00 0.00 H new ATOM 0 HA VAL A 15 7.683 1.806 1.156 1.00 0.00 H new ATOM 0 HB VAL A 15 4.651 1.959 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.048 4.295 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.597 3.977 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.783 4.093 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.101 2.501 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.838 2.223 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.686 0.875 -1.048 1.00 0.00 H new ATOM 198 N ASP A 16 7.065 2.879 3.385 1.00 0.00 N ATOM 199 CA ASP A 16 6.922 3.291 4.777 1.00 0.00 C ATOM 200 C ASP A 16 6.706 4.798 4.879 1.00 0.00 C ATOM 201 O ASP A 16 7.570 5.586 4.495 1.00 0.00 O ATOM 202 CB ASP A 16 8.159 2.885 5.580 1.00 0.00 C ATOM 203 CG ASP A 16 8.047 3.262 7.045 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.408 2.504 7.804 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.598 4.314 7.431 1.00 0.00 O ATOM 0 H ASP A 16 7.674 3.478 2.828 1.00 0.00 H new ATOM 0 HA ASP A 16 6.048 2.789 5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.307 1.808 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.040 3.362 5.151 1.00 0.00 H new ATOM 210 N MET A 17 5.547 5.190 5.397 1.00 0.00 N ATOM 211 CA MET A 17 5.218 6.603 5.549 1.00 0.00 C ATOM 212 C MET A 17 4.262 6.815 6.719 1.00 0.00 C ATOM 213 O MET A 17 3.753 5.856 7.297 1.00 0.00 O ATOM 214 CB MET A 17 4.595 7.145 4.261 1.00 0.00 C ATOM 215 CG MET A 17 5.051 6.411 3.010 1.00 0.00 C ATOM 216 SD MET A 17 4.534 7.237 1.493 1.00 0.00 S ATOM 217 CE MET A 17 2.770 7.378 1.769 1.00 0.00 C ATOM 0 H MET A 17 4.820 4.550 5.718 1.00 0.00 H new ATOM 0 HA MET A 17 6.141 7.146 5.754 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.510 7.079 4.336 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.844 8.202 4.163 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.138 6.325 3.020 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.650 5.397 3.022 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.273 7.618 0.829 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.385 6.433 2.152 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.577 8.169 2.494 1.00 0.00 H new ATOM 227 N GLU A 18 4.024 8.078 7.061 1.00 0.00 N ATOM 228 CA GLU A 18 3.129 8.414 8.162 1.00 0.00 C ATOM 229 C GLU A 18 1.999 9.323 7.687 1.00 0.00 C ATOM 230 O GLU A 18 1.987 9.770 6.540 1.00 0.00 O ATOM 231 CB GLU A 18 3.907 9.096 9.290 1.00 0.00 C ATOM 232 CG GLU A 18 4.393 8.134 10.362 1.00 0.00 C ATOM 233 CD GLU A 18 5.569 8.681 11.147 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.692 8.695 10.602 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.365 9.097 12.307 1.00 0.00 O ATOM 0 H GLU A 18 4.438 8.884 6.592 1.00 0.00 H new ATOM 0 HA GLU A 18 2.693 7.488 8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.765 9.617 8.865 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.272 9.852 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.574 7.915 11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.679 7.191 9.896 1.00 0.00 H new ATOM 242 N LYS A 19 1.051 9.593 8.578 1.00 0.00 N ATOM 243 CA LYS A 19 -0.084 10.449 8.253 1.00 0.00 C ATOM 244 C LYS A 19 0.288 11.921 8.391 1.00 0.00 C ATOM 245 O LYS A 19 1.181 12.277 9.159 1.00 0.00 O ATOM 246 CB LYS A 19 -1.271 10.124 9.163 1.00 0.00 C ATOM 247 CG LYS A 19 -2.616 10.490 8.560 1.00 0.00 C ATOM 248 CD LYS A 19 -3.735 9.637 9.135 1.00 0.00 C ATOM 249 CE LYS A 19 -3.958 8.379 8.310 1.00 0.00 C ATOM 250 NZ LYS A 19 -4.951 8.598 7.222 1.00 0.00 N ATOM 0 H LYS A 19 1.046 9.231 9.532 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.366 10.259 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.262 9.058 9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.150 10.653 10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.826 11.543 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.578 10.361 7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.493 9.362 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.656 10.219 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.011 8.056 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.303 7.575 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.075 7.717 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.862 8.882 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.610 9.348 6.587 1.00 0.00 H new ATOM 330 N GLY A 25 -1.346 11.916 2.496 1.00 0.00 N ATOM 331 CA GLY A 25 -1.146 12.768 1.338 1.00 0.00 C ATOM 332 C GLY A 25 -0.887 11.975 0.072 1.00 0.00 C ATOM 333 O GLY A 25 0.006 12.308 -0.706 1.00 0.00 O ATOM 0 HA2 GLY A 25 -2.026 13.396 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.305 13.436 1.523 1.00 0.00 H new ATOM 337 N PHE A 26 -1.670 10.921 -0.134 1.00 0.00 N ATOM 338 CA PHE A 26 -1.519 10.076 -1.313 1.00 0.00 C ATOM 339 C PHE A 26 -2.840 9.399 -1.669 1.00 0.00 C ATOM 340 O PHE A 26 -3.516 8.840 -0.805 1.00 0.00 O ATOM 341 CB PHE A 26 -0.439 9.019 -1.074 1.00 0.00 C ATOM 342 CG PHE A 26 -0.960 7.763 -0.435 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.840 6.937 -1.116 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.568 7.408 0.846 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.321 5.782 -0.529 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.045 6.254 1.437 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.922 5.439 0.748 1.00 0.00 C ATOM 0 H PHE A 26 -2.415 10.632 0.500 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.219 10.709 -2.148 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.028 8.766 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.340 9.444 -0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.153 7.199 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.118 8.041 1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.009 5.148 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.733 5.989 2.436 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.295 4.535 1.207 1.00 0.00 H new ATOM 357 N SER A 27 -3.200 9.453 -2.947 1.00 0.00 N ATOM 358 CA SER A 27 -4.441 8.849 -3.418 1.00 0.00 C ATOM 359 C SER A 27 -4.160 7.578 -4.212 1.00 0.00 C ATOM 360 O SER A 27 -3.041 7.360 -4.679 1.00 0.00 O ATOM 361 CB SER A 27 -5.220 9.842 -4.283 1.00 0.00 C ATOM 362 OG SER A 27 -6.477 9.310 -4.664 1.00 0.00 O ATOM 0 H SER A 27 -2.650 9.909 -3.675 1.00 0.00 H new ATOM 0 HA SER A 27 -5.042 8.587 -2.547 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.367 10.771 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.640 10.087 -5.173 1.00 0.00 H new ATOM 0 HG SER A 27 -6.956 9.964 -5.214 1.00 0.00 H new ATOM 368 N ILE A 28 -5.182 6.742 -4.360 1.00 0.00 N ATOM 369 CA ILE A 28 -5.045 5.492 -5.097 1.00 0.00 C ATOM 370 C ILE A 28 -6.091 5.389 -6.203 1.00 0.00 C ATOM 371 O ILE A 28 -7.022 6.192 -6.267 1.00 0.00 O ATOM 372 CB ILE A 28 -5.177 4.272 -4.167 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.006 4.631 -2.932 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.801 3.766 -3.759 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.616 3.431 -2.244 1.00 0.00 C ATOM 0 H ILE A 28 -6.114 6.908 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.049 5.495 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.690 3.476 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.373 5.164 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.802 5.315 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.911 2.903 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.242 3.476 -4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.264 4.556 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.189 3.761 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.275 2.910 -2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.824 2.756 -1.919 1.00 0.00 H new ATOM 387 N ARG A 29 -5.931 4.395 -7.070 1.00 0.00 N ATOM 388 CA ARG A 29 -6.862 4.187 -8.173 1.00 0.00 C ATOM 389 C ARG A 29 -6.954 2.707 -8.534 1.00 0.00 C ATOM 390 O ARG A 29 -6.094 1.911 -8.159 1.00 0.00 O ATOM 391 CB ARG A 29 -6.425 4.995 -9.397 1.00 0.00 C ATOM 392 CG ARG A 29 -5.252 4.382 -10.144 1.00 0.00 C ATOM 393 CD ARG A 29 -5.261 4.775 -11.613 1.00 0.00 C ATOM 394 NE ARG A 29 -4.505 6.001 -11.857 1.00 0.00 N ATOM 395 CZ ARG A 29 -4.698 6.786 -12.910 1.00 0.00 C ATOM 396 NH1 ARG A 29 -5.619 6.476 -13.812 1.00 0.00 N ATOM 397 NH2 ARG A 29 -3.970 7.885 -13.062 1.00 0.00 N ATOM 0 H ARG A 29 -5.166 3.721 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.847 4.528 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.270 5.090 -10.079 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.156 6.003 -9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.318 4.706 -9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.291 3.296 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.839 3.965 -12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.290 4.912 -11.945 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.789 6.269 -11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.181 5.633 -13.698 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.765 7.081 -14.620 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.261 8.127 -12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.119 8.488 -13.871 1.00 0.00 H new ATOM 411 N GLY A 30 -8.004 2.346 -9.265 1.00 0.00 N ATOM 412 CA GLY A 30 -8.190 0.963 -9.664 1.00 0.00 C ATOM 413 C GLY A 30 -8.810 0.121 -8.566 1.00 0.00 C ATOM 414 O GLY A 30 -9.218 0.643 -7.529 1.00 0.00 O ATOM 0 H GLY A 30 -8.729 2.986 -9.588 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.825 0.926 -10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.227 0.536 -9.945 1.00 0.00 H new ATOM 418 N GLY A 31 -8.883 -1.187 -8.795 1.00 0.00 N ATOM 419 CA GLY A 31 -9.461 -2.081 -7.808 1.00 0.00 C ATOM 420 C GLY A 31 -10.473 -3.034 -8.412 1.00 0.00 C ATOM 421 O GLY A 31 -10.786 -2.947 -9.600 1.00 0.00 O ATOM 0 H GLY A 31 -8.553 -1.643 -9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.666 -2.654 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.942 -1.493 -7.027 1.00 0.00 H new ATOM 425 N ARG A 32 -10.985 -3.947 -7.594 1.00 0.00 N ATOM 426 CA ARG A 32 -11.966 -4.923 -8.056 1.00 0.00 C ATOM 427 C ARG A 32 -13.187 -4.227 -8.649 1.00 0.00 C ATOM 428 O ARG A 32 -14.022 -4.860 -9.294 1.00 0.00 O ATOM 429 CB ARG A 32 -12.394 -5.832 -6.902 1.00 0.00 C ATOM 430 CG ARG A 32 -11.554 -7.093 -6.777 1.00 0.00 C ATOM 431 CD ARG A 32 -11.662 -7.960 -8.021 1.00 0.00 C ATOM 432 NE ARG A 32 -11.479 -9.377 -7.718 1.00 0.00 N ATOM 433 CZ ARG A 32 -11.774 -10.355 -8.568 1.00 0.00 C ATOM 434 NH1 ARG A 32 -12.263 -10.070 -9.767 1.00 0.00 N ATOM 435 NH2 ARG A 32 -11.580 -11.620 -8.218 1.00 0.00 N ATOM 0 H ARG A 32 -10.737 -4.032 -6.608 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.501 -5.529 -8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.335 -5.272 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.438 -6.113 -7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.511 -6.822 -6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.878 -7.663 -5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.638 -7.811 -8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.914 -7.645 -8.748 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.104 -9.630 -6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.413 -9.098 -10.039 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.489 -10.822 -10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.204 -11.842 -7.296 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.807 -12.370 -8.871 1.00 0.00 H new ATOM 449 N GLU A 33 -13.285 -2.920 -8.424 1.00 0.00 N ATOM 450 CA GLU A 33 -14.405 -2.139 -8.935 1.00 0.00 C ATOM 451 C GLU A 33 -14.240 -1.863 -10.427 1.00 0.00 C ATOM 452 O GLU A 33 -15.223 -1.713 -11.154 1.00 0.00 O ATOM 453 CB GLU A 33 -14.527 -0.819 -8.172 1.00 0.00 C ATOM 454 CG GLU A 33 -14.436 -0.978 -6.663 1.00 0.00 C ATOM 455 CD GLU A 33 -15.030 0.200 -5.916 1.00 0.00 C ATOM 456 OE1 GLU A 33 -14.715 1.353 -6.280 1.00 0.00 O ATOM 457 OE2 GLU A 33 -15.809 -0.030 -4.967 1.00 0.00 O ATOM 0 H GLU A 33 -12.603 -2.381 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.316 -2.720 -8.788 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.741 -0.142 -8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.479 -0.350 -8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.953 -1.890 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.391 -1.096 -6.376 1.00 0.00 H new ATOM 464 N TYR A 34 -12.992 -1.797 -10.876 1.00 0.00 N ATOM 465 CA TYR A 34 -12.697 -1.536 -12.280 1.00 0.00 C ATOM 466 C TYR A 34 -11.947 -2.707 -12.906 1.00 0.00 C ATOM 467 O TYR A 34 -11.495 -2.632 -14.048 1.00 0.00 O ATOM 468 CB TYR A 34 -11.873 -0.255 -12.420 1.00 0.00 C ATOM 469 CG TYR A 34 -12.268 0.829 -11.443 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.332 1.681 -11.713 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.577 1.003 -10.250 1.00 0.00 C ATOM 472 CE1 TYR A 34 -13.697 2.673 -10.824 1.00 0.00 C ATOM 473 CE2 TYR A 34 -11.935 1.992 -9.354 1.00 0.00 C ATOM 474 CZ TYR A 34 -12.996 2.824 -9.646 1.00 0.00 C ATOM 475 OH TYR A 34 -13.355 3.811 -8.756 1.00 0.00 O ATOM 0 H TYR A 34 -12.168 -1.921 -10.288 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.643 -1.411 -12.806 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.819 -0.494 -12.278 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.980 0.126 -13.436 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -13.883 1.565 -12.634 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.745 0.354 -10.019 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.527 3.327 -11.050 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.388 2.113 -8.431 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.140 3.523 -7.844 1.00 0.00 H new ATOM 485 N LYS A 35 -11.818 -3.792 -12.148 1.00 0.00 N ATOM 486 CA LYS A 35 -11.125 -4.982 -12.627 1.00 0.00 C ATOM 487 C LYS A 35 -9.666 -4.671 -12.944 1.00 0.00 C ATOM 488 O LYS A 35 -9.165 -5.020 -14.012 1.00 0.00 O ATOM 489 CB LYS A 35 -11.821 -5.537 -13.871 1.00 0.00 C ATOM 490 CG LYS A 35 -13.272 -5.922 -13.636 1.00 0.00 C ATOM 491 CD LYS A 35 -13.385 -7.221 -12.857 1.00 0.00 C ATOM 492 CE LYS A 35 -13.071 -8.425 -13.732 1.00 0.00 C ATOM 493 NZ LYS A 35 -14.231 -8.808 -14.584 1.00 0.00 N ATOM 0 H LYS A 35 -12.185 -3.871 -11.199 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.155 -5.732 -11.837 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.776 -4.792 -14.665 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.274 -6.412 -14.223 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.777 -5.125 -13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.782 -6.026 -14.594 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.701 -7.198 -12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.392 -7.317 -12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.213 -8.200 -14.366 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.789 -9.268 -13.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.978 -9.632 -15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.042 -9.048 -13.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.484 -8.012 -15.204 1.00 0.00 H new ATOM 507 N MET A 36 -8.988 -4.015 -12.007 1.00 0.00 N ATOM 508 CA MET A 36 -7.585 -3.661 -12.187 1.00 0.00 C ATOM 509 C MET A 36 -6.881 -3.529 -10.840 1.00 0.00 C ATOM 510 O MET A 36 -7.528 -3.415 -9.799 1.00 0.00 O ATOM 511 CB MET A 36 -7.464 -2.351 -12.968 1.00 0.00 C ATOM 512 CG MET A 36 -8.233 -1.198 -12.345 1.00 0.00 C ATOM 513 SD MET A 36 -8.642 0.090 -13.539 1.00 0.00 S ATOM 514 CE MET A 36 -7.546 1.404 -13.008 1.00 0.00 C ATOM 0 H MET A 36 -9.387 -3.718 -11.117 1.00 0.00 H new ATOM 0 HA MET A 36 -7.104 -4.459 -12.752 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.411 -2.077 -13.041 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.824 -2.509 -13.985 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.151 -1.578 -11.898 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.641 -0.765 -11.538 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.143 1.917 -13.881 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.100 2.114 -12.394 1.00 0.00 H new ATOM 0 HE3 MET A 36 -6.728 0.982 -12.425 1.00 0.00 H new ATOM 524 N ASP A 37 -5.553 -3.547 -10.868 1.00 0.00 N ATOM 525 CA ASP A 37 -4.761 -3.429 -9.649 1.00 0.00 C ATOM 526 C ASP A 37 -4.893 -2.034 -9.048 1.00 0.00 C ATOM 527 O ASP A 37 -5.462 -1.132 -9.664 1.00 0.00 O ATOM 528 CB ASP A 37 -3.291 -3.736 -9.939 1.00 0.00 C ATOM 529 CG ASP A 37 -3.121 -4.827 -10.978 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.168 -4.509 -12.184 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.942 -5.999 -10.584 1.00 0.00 O ATOM 0 H ASP A 37 -5.002 -3.642 -11.721 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.140 -4.153 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.795 -2.829 -10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.797 -4.038 -9.015 1.00 0.00 H new ATOM 536 N LEU A 38 -4.365 -1.862 -7.841 1.00 0.00 N ATOM 537 CA LEU A 38 -4.425 -0.576 -7.155 1.00 0.00 C ATOM 538 C LEU A 38 -3.147 0.225 -7.388 1.00 0.00 C ATOM 539 O LEU A 38 -2.060 -0.191 -6.986 1.00 0.00 O ATOM 540 CB LEU A 38 -4.643 -0.785 -5.656 1.00 0.00 C ATOM 541 CG LEU A 38 -6.041 -1.243 -5.238 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.976 -2.057 -3.956 1.00 0.00 C ATOM 543 CD2 LEU A 38 -6.964 -0.045 -5.066 1.00 0.00 C ATOM 0 H LEU A 38 -3.890 -2.597 -7.317 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.265 -0.013 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.921 -1.521 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.421 0.151 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.445 -1.879 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.980 -2.374 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.349 -2.935 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.551 -1.447 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.955 -0.389 -4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.563 0.616 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.036 0.497 -6.009 1.00 0.00 H new ATOM 555 N TYR A 39 -3.287 1.375 -8.036 1.00 0.00 N ATOM 556 CA TYR A 39 -2.144 2.235 -8.322 1.00 0.00 C ATOM 557 C TYR A 39 -2.282 3.578 -7.612 1.00 0.00 C ATOM 558 O TYR A 39 -3.346 3.912 -7.090 1.00 0.00 O ATOM 559 CB TYR A 39 -2.009 2.454 -9.830 1.00 0.00 C ATOM 560 CG TYR A 39 -2.370 1.238 -10.653 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.698 0.874 -10.845 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.385 0.452 -11.238 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.033 -0.236 -11.596 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.711 -0.659 -11.991 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.036 -0.999 -12.167 1.00 0.00 C ATOM 566 OH TYR A 39 -3.364 -2.106 -12.916 1.00 0.00 O ATOM 0 H TYR A 39 -4.180 1.734 -8.374 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.247 1.739 -7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.648 3.286 -10.127 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.983 2.744 -10.056 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.481 1.469 -10.399 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.346 0.714 -11.102 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.070 -0.505 -11.735 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.933 -1.258 -12.440 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.912 -2.895 -12.550 1.00 0.00 H new ATOM 576 N VAL A 40 -1.197 4.347 -7.598 1.00 0.00 N ATOM 577 CA VAL A 40 -1.195 5.655 -6.955 1.00 0.00 C ATOM 578 C VAL A 40 -1.787 6.719 -7.872 1.00 0.00 C ATOM 579 O VAL A 40 -1.156 7.137 -8.844 1.00 0.00 O ATOM 580 CB VAL A 40 0.228 6.078 -6.547 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.184 7.301 -5.644 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.951 4.927 -5.864 1.00 0.00 C ATOM 0 H VAL A 40 -0.308 4.086 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.810 5.568 -6.060 1.00 0.00 H new ATOM 0 HB VAL A 40 0.782 6.341 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.199 7.585 -5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.292 8.127 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.387 7.069 -4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.955 5.244 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.401 4.630 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.016 4.081 -6.548 1.00 0.00 H new ATOM 592 N LEU A 41 -3.002 7.155 -7.557 1.00 0.00 N ATOM 593 CA LEU A 41 -3.680 8.173 -8.353 1.00 0.00 C ATOM 594 C LEU A 41 -2.857 9.456 -8.412 1.00 0.00 C ATOM 595 O LEU A 41 -2.383 9.853 -9.477 1.00 0.00 O ATOM 596 CB LEU A 41 -5.063 8.466 -7.770 1.00 0.00 C ATOM 597 CG LEU A 41 -5.995 9.307 -8.643 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.464 10.726 -8.778 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.165 8.666 -10.013 1.00 0.00 C ATOM 0 H LEU A 41 -3.538 6.820 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.794 7.790 -9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.555 7.516 -7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.932 8.977 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.972 9.351 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.140 11.310 -9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.395 11.184 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.476 10.702 -9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.831 9.278 -10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.194 8.591 -10.503 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.592 7.670 -9.898 1.00 0.00 H new ATOM 611 N ARG A 42 -2.690 10.098 -7.261 1.00 0.00 N ATOM 612 CA ARG A 42 -1.923 11.336 -7.181 1.00 0.00 C ATOM 613 C ARG A 42 -1.260 11.478 -5.814 1.00 0.00 C ATOM 614 O ARG A 42 -1.773 10.983 -4.809 1.00 0.00 O ATOM 615 CB ARG A 42 -2.828 12.540 -7.448 1.00 0.00 C ATOM 616 CG ARG A 42 -2.324 13.831 -6.826 1.00 0.00 C ATOM 617 CD ARG A 42 -2.850 14.011 -5.411 1.00 0.00 C ATOM 618 NE ARG A 42 -4.309 13.980 -5.361 1.00 0.00 N ATOM 619 CZ ARG A 42 -5.012 14.198 -4.255 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.392 14.462 -3.113 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.337 14.153 -4.290 1.00 0.00 N ATOM 0 H ARG A 42 -3.075 9.782 -6.371 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.143 11.300 -7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.925 12.679 -8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.825 12.326 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.234 13.828 -6.812 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.633 14.677 -7.440 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.449 13.224 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.494 14.960 -5.010 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.816 13.780 -6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.373 14.498 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.934 14.629 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.817 13.951 -5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.876 14.321 -3.440 1.00 0.00 H new ATOM 635 N LEU A 43 -0.119 12.156 -5.783 1.00 0.00 N ATOM 636 CA LEU A 43 0.615 12.363 -4.540 1.00 0.00 C ATOM 637 C LEU A 43 0.406 13.780 -4.013 1.00 0.00 C ATOM 638 O LEU A 43 0.178 14.712 -4.784 1.00 0.00 O ATOM 639 CB LEU A 43 2.107 12.103 -4.755 1.00 0.00 C ATOM 640 CG LEU A 43 2.579 10.668 -4.517 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.046 10.520 -4.889 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.351 10.265 -3.068 1.00 0.00 C ATOM 0 H LEU A 43 0.319 12.572 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 43 0.232 11.659 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.361 12.383 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.669 12.763 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 43 1.995 10.004 -5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.364 9.492 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.181 10.766 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.646 11.195 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.693 9.241 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.908 10.934 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.288 10.331 -2.835 1.00 0.00 H new ATOM 654 N ALA A 44 0.487 13.934 -2.696 1.00 0.00 N ATOM 655 CA ALA A 44 0.310 15.237 -2.067 1.00 0.00 C ATOM 656 C ALA A 44 1.630 15.998 -2.000 1.00 0.00 C ATOM 657 O ALA A 44 2.560 15.585 -1.309 1.00 0.00 O ATOM 658 CB ALA A 44 -0.278 15.075 -0.673 1.00 0.00 C ATOM 0 H ALA A 44 0.674 13.173 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.383 15.816 -2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.405 16.056 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.246 14.579 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.395 14.474 -0.062 1.00 0.00 H new ATOM 664 N GLU A 45 1.704 17.110 -2.725 1.00 0.00 N ATOM 665 CA GLU A 45 2.911 17.926 -2.749 1.00 0.00 C ATOM 666 C GLU A 45 3.330 18.319 -1.335 1.00 0.00 C ATOM 667 O GLU A 45 4.516 18.309 -1.002 1.00 0.00 O ATOM 668 CB GLU A 45 2.688 19.182 -3.594 1.00 0.00 C ATOM 669 CG GLU A 45 1.414 19.933 -3.244 1.00 0.00 C ATOM 670 CD GLU A 45 1.632 20.985 -2.174 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.749 21.540 -2.105 1.00 0.00 O ATOM 672 OE2 GLU A 45 0.685 21.253 -1.404 1.00 0.00 O ATOM 0 H GLU A 45 0.942 17.466 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 45 3.710 17.334 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.540 19.850 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.656 18.901 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.019 20.409 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.661 19.223 -2.902 1.00 0.00 H new ATOM 679 N ASP A 46 2.350 18.666 -0.509 1.00 0.00 N ATOM 680 CA ASP A 46 2.615 19.062 0.869 1.00 0.00 C ATOM 681 C ASP A 46 2.307 17.920 1.832 1.00 0.00 C ATOM 682 O ASP A 46 2.124 18.136 3.029 1.00 0.00 O ATOM 683 CB ASP A 46 1.786 20.294 1.237 1.00 0.00 C ATOM 684 CG ASP A 46 2.526 21.590 0.971 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.497 21.569 0.185 1.00 0.00 O ATOM 686 OD2 ASP A 46 2.134 22.626 1.548 1.00 0.00 O ATOM 0 H ASP A 46 1.364 18.681 -0.770 1.00 0.00 H new ATOM 0 HA ASP A 46 3.674 19.308 0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.857 20.286 0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.514 20.244 2.291 1.00 0.00 H new ATOM 691 N GLY A 47 2.249 16.703 1.300 1.00 0.00 N ATOM 692 CA GLY A 47 1.961 15.545 2.126 1.00 0.00 C ATOM 693 C GLY A 47 3.210 14.768 2.490 1.00 0.00 C ATOM 694 O GLY A 47 4.270 14.936 1.887 1.00 0.00 O ATOM 0 H GLY A 47 2.396 16.498 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.459 15.869 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.269 14.889 1.598 1.00 0.00 H new ATOM 698 N PRO A 48 3.094 13.894 3.502 1.00 0.00 N ATOM 699 CA PRO A 48 4.214 13.072 3.970 1.00 0.00 C ATOM 700 C PRO A 48 4.608 12.000 2.960 1.00 0.00 C ATOM 701 O PRO A 48 5.711 11.458 3.014 1.00 0.00 O ATOM 702 CB PRO A 48 3.671 12.428 5.248 1.00 0.00 C ATOM 703 CG PRO A 48 2.193 12.413 5.066 1.00 0.00 C ATOM 704 CD PRO A 48 1.861 13.642 4.266 1.00 0.00 C ATOM 0 HA PRO A 48 5.117 13.663 4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.064 11.420 5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.955 13.000 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.873 11.510 4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.681 12.424 6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.008 13.475 3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.608 14.484 4.910 1.00 0.00 H new ATOM 712 N ALA A 49 3.698 11.699 2.039 1.00 0.00 N ATOM 713 CA ALA A 49 3.952 10.693 1.014 1.00 0.00 C ATOM 714 C ALA A 49 4.965 11.195 -0.009 1.00 0.00 C ATOM 715 O ALA A 49 6.046 10.625 -0.159 1.00 0.00 O ATOM 716 CB ALA A 49 2.653 10.300 0.326 1.00 0.00 C ATOM 0 H ALA A 49 2.779 12.137 1.982 1.00 0.00 H new ATOM 0 HA ALA A 49 4.373 9.813 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.858 9.549 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.961 9.891 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.208 11.179 -0.141 1.00 0.00 H new ATOM 722 N ILE A 50 4.607 12.265 -0.712 1.00 0.00 N ATOM 723 CA ILE A 50 5.485 12.843 -1.722 1.00 0.00 C ATOM 724 C ILE A 50 6.880 13.093 -1.159 1.00 0.00 C ATOM 725 O ILE A 50 7.846 13.239 -1.908 1.00 0.00 O ATOM 726 CB ILE A 50 4.920 14.168 -2.267 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.428 14.418 -3.688 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.299 15.323 -1.352 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.582 15.399 -4.469 1.00 0.00 C ATOM 0 H ILE A 50 3.716 12.749 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 50 5.548 12.121 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 50 3.833 14.097 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.451 14.792 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.460 13.470 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.892 16.252 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.892 15.147 -0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.385 15.399 -1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.002 15.527 -5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.564 15.018 -4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.570 16.360 -3.954 1.00 0.00 H new ATOM 741 N ARG A 51 6.979 13.139 0.166 1.00 0.00 N ATOM 742 CA ARG A 51 8.256 13.369 0.829 1.00 0.00 C ATOM 743 C ARG A 51 8.997 12.055 1.055 1.00 0.00 C ATOM 744 O ARG A 51 10.225 12.026 1.122 1.00 0.00 O ATOM 745 CB ARG A 51 8.039 14.081 2.166 1.00 0.00 C ATOM 746 CG ARG A 51 7.456 15.478 2.025 1.00 0.00 C ATOM 747 CD ARG A 51 7.331 16.168 3.374 1.00 0.00 C ATOM 748 NE ARG A 51 6.577 17.415 3.282 1.00 0.00 N ATOM 749 CZ ARG A 51 6.295 18.182 4.330 1.00 0.00 C ATOM 750 NH1 ARG A 51 6.703 17.831 5.541 1.00 0.00 N ATOM 751 NH2 ARG A 51 5.604 19.303 4.166 1.00 0.00 N ATOM 0 H ARG A 51 6.190 13.020 0.801 1.00 0.00 H new ATOM 0 HA ARG A 51 8.864 14.001 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.373 13.479 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.991 14.145 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.090 16.073 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.475 15.418 1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.840 15.498 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.326 16.374 3.770 1.00 0.00 H new ATOM 0 HE ARG A 51 6.249 17.714 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.235 16.970 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.485 18.422 6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.289 19.576 3.235 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.388 19.891 4.971 1.00 0.00 H new ATOM 765 N ASN A 52 8.240 10.968 1.173 1.00 0.00 N ATOM 766 CA ASN A 52 8.825 9.650 1.393 1.00 0.00 C ATOM 767 C ASN A 52 9.718 9.249 0.223 1.00 0.00 C ATOM 768 O ASN A 52 10.896 8.943 0.403 1.00 0.00 O ATOM 769 CB ASN A 52 7.723 8.607 1.589 1.00 0.00 C ATOM 770 CG ASN A 52 8.081 7.266 0.978 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.098 6.664 1.326 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.245 6.790 0.063 1.00 0.00 N ATOM 0 H ASN A 52 7.221 10.974 1.120 1.00 0.00 H new ATOM 0 HA ASN A 52 9.437 9.697 2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.533 8.479 2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.798 8.971 1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.434 5.892 -0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.414 7.323 -0.195 1.00 0.00 H new ATOM 779 N GLY A 53 9.148 9.253 -0.979 1.00 0.00 N ATOM 780 CA GLY A 53 9.906 8.889 -2.161 1.00 0.00 C ATOM 781 C GLY A 53 9.734 7.429 -2.533 1.00 0.00 C ATOM 782 O GLY A 53 9.380 7.108 -3.667 1.00 0.00 O ATOM 0 H GLY A 53 8.175 9.502 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.591 9.513 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.962 9.095 -1.989 1.00 0.00 H new ATOM 786 N ARG A 54 9.988 6.543 -1.576 1.00 0.00 N ATOM 787 CA ARG A 54 9.863 5.109 -1.809 1.00 0.00 C ATOM 788 C ARG A 54 8.679 4.809 -2.725 1.00 0.00 C ATOM 789 O ARG A 54 8.691 3.828 -3.468 1.00 0.00 O ATOM 790 CB ARG A 54 9.696 4.367 -0.482 1.00 0.00 C ATOM 791 CG ARG A 54 10.964 4.323 0.355 1.00 0.00 C ATOM 792 CD ARG A 54 11.893 3.209 -0.101 1.00 0.00 C ATOM 793 NE ARG A 54 12.910 2.899 0.900 1.00 0.00 N ATOM 794 CZ ARG A 54 12.695 2.108 1.945 1.00 0.00 C ATOM 795 NH1 ARG A 54 11.507 1.549 2.125 1.00 0.00 N ATOM 796 NH2 ARG A 54 13.671 1.875 2.814 1.00 0.00 N ATOM 0 H ARG A 54 10.282 6.793 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 54 10.775 4.765 -2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.906 4.847 0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.369 3.347 -0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.481 5.280 0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.705 4.176 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.308 2.314 -0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.378 3.501 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 54 13.836 3.313 0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.754 1.726 1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.345 0.942 2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.587 2.304 2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.505 1.267 3.616 1.00 0.00 H new ATOM 810 N MET A 55 7.660 5.660 -2.664 1.00 0.00 N ATOM 811 CA MET A 55 6.470 5.485 -3.487 1.00 0.00 C ATOM 812 C MET A 55 6.151 6.762 -4.260 1.00 0.00 C ATOM 813 O MET A 55 6.235 7.864 -3.717 1.00 0.00 O ATOM 814 CB MET A 55 5.275 5.090 -2.618 1.00 0.00 C ATOM 815 CG MET A 55 4.491 6.279 -2.085 1.00 0.00 C ATOM 816 SD MET A 55 3.027 5.786 -1.155 1.00 0.00 S ATOM 817 CE MET A 55 1.738 6.595 -2.099 1.00 0.00 C ATOM 0 H MET A 55 7.635 6.477 -2.054 1.00 0.00 H new ATOM 0 HA MET A 55 6.669 4.687 -4.203 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.606 4.456 -3.201 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.629 4.493 -1.778 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.138 6.878 -1.445 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.190 6.914 -2.918 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.783 6.109 -1.901 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.679 7.644 -1.809 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.967 6.525 -3.162 1.00 0.00 H new ATOM 827 N ARG A 56 5.786 6.605 -5.528 1.00 0.00 N ATOM 828 CA ARG A 56 5.457 7.746 -6.374 1.00 0.00 C ATOM 829 C ARG A 56 4.180 7.484 -7.167 1.00 0.00 C ATOM 830 O ARG A 56 3.516 6.465 -6.975 1.00 0.00 O ATOM 831 CB ARG A 56 6.612 8.048 -7.332 1.00 0.00 C ATOM 832 CG ARG A 56 7.614 9.048 -6.780 1.00 0.00 C ATOM 833 CD ARG A 56 8.526 8.410 -5.744 1.00 0.00 C ATOM 834 NE ARG A 56 9.835 9.055 -5.695 1.00 0.00 N ATOM 835 CZ ARG A 56 10.840 8.740 -6.504 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.687 7.793 -7.419 1.00 0.00 N ATOM 837 NH2 ARG A 56 12.002 9.372 -6.398 1.00 0.00 N ATOM 0 H ARG A 56 5.711 5.700 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 56 5.294 8.609 -5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.131 7.119 -7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.206 8.432 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.214 9.451 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.082 9.887 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.056 8.469 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.652 7.352 -5.974 1.00 0.00 H new ATOM 0 HE ARG A 56 9.986 9.788 -5.001 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.796 7.304 -7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.461 7.553 -8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.124 10.101 -5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.773 9.129 -7.020 1.00 0.00 H new ATOM 851 N VAL A 57 3.843 8.410 -8.059 1.00 0.00 N ATOM 852 CA VAL A 57 2.646 8.279 -8.882 1.00 0.00 C ATOM 853 C VAL A 57 2.947 7.528 -10.174 1.00 0.00 C ATOM 854 O VAL A 57 3.908 7.838 -10.875 1.00 0.00 O ATOM 855 CB VAL A 57 2.050 9.657 -9.228 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.766 9.497 -10.028 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.803 10.464 -7.963 1.00 0.00 C ATOM 0 H VAL A 57 4.382 9.259 -8.230 1.00 0.00 H new ATOM 0 HA VAL A 57 1.920 7.714 -8.298 1.00 0.00 H new ATOM 0 HB VAL A 57 2.768 10.200 -9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.359 10.480 -10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.978 8.961 -10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.039 8.935 -9.441 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.382 11.434 -8.227 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.105 9.928 -7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.745 10.609 -7.434 1.00 0.00 H new ATOM 867 N GLY A 58 2.116 6.537 -10.483 1.00 0.00 N ATOM 868 CA GLY A 58 2.309 5.756 -11.691 1.00 0.00 C ATOM 869 C GLY A 58 2.731 4.330 -11.398 1.00 0.00 C ATOM 870 O GLY A 58 2.808 3.500 -12.304 1.00 0.00 O ATOM 0 H GLY A 58 1.313 6.261 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.383 5.747 -12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.065 6.235 -12.313 1.00 0.00 H new ATOM 874 N ASP A 59 3.007 4.045 -10.130 1.00 0.00 N ATOM 875 CA ASP A 59 3.424 2.709 -9.720 1.00 0.00 C ATOM 876 C ASP A 59 2.215 1.812 -9.480 1.00 0.00 C ATOM 877 O ASP A 59 1.075 2.278 -9.479 1.00 0.00 O ATOM 878 CB ASP A 59 4.279 2.785 -8.454 1.00 0.00 C ATOM 879 CG ASP A 59 5.370 3.832 -8.554 1.00 0.00 C ATOM 880 OD1 ASP A 59 5.035 5.029 -8.678 1.00 0.00 O ATOM 881 OD2 ASP A 59 6.560 3.456 -8.506 1.00 0.00 O ATOM 0 H ASP A 59 2.949 4.721 -9.368 1.00 0.00 H new ATOM 0 HA ASP A 59 4.019 2.277 -10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.640 3.011 -7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.730 1.811 -8.265 1.00 0.00 H new ATOM 886 N GLN A 60 2.471 0.524 -9.277 1.00 0.00 N ATOM 887 CA GLN A 60 1.402 -0.439 -9.037 1.00 0.00 C ATOM 888 C GLN A 60 1.540 -1.072 -7.656 1.00 0.00 C ATOM 889 O GLN A 60 2.581 -1.639 -7.324 1.00 0.00 O ATOM 890 CB GLN A 60 1.414 -1.525 -10.113 1.00 0.00 C ATOM 891 CG GLN A 60 0.098 -2.275 -10.236 1.00 0.00 C ATOM 892 CD GLN A 60 0.035 -3.495 -9.338 1.00 0.00 C ATOM 893 OE1 GLN A 60 -0.310 -3.283 -8.074 1.00 0.00 O flip ATOM 894 NE2 GLN A 60 0.294 -4.617 -9.776 1.00 0.00 N flip ATOM 0 H GLN A 60 3.409 0.123 -9.274 1.00 0.00 H new ATOM 0 HA GLN A 60 0.452 0.093 -9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.654 -1.070 -11.074 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.209 -2.237 -9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.723 -1.603 -9.987 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.045 -2.583 -11.272 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.555 -4.735 -10.755 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.247 -5.428 -9.160 1.00 0.00 H new ATOM 903 N ILE A 61 0.483 -0.972 -6.857 1.00 0.00 N ATOM 904 CA ILE A 61 0.487 -1.536 -5.513 1.00 0.00 C ATOM 905 C ILE A 61 -0.143 -2.924 -5.498 1.00 0.00 C ATOM 906 O ILE A 61 -1.312 -3.091 -5.849 1.00 0.00 O ATOM 907 CB ILE A 61 -0.268 -0.631 -4.521 1.00 0.00 C ATOM 908 CG1 ILE A 61 0.205 0.818 -4.656 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.071 -1.127 -3.096 1.00 0.00 C ATOM 910 CD1 ILE A 61 -0.819 1.833 -4.199 1.00 0.00 C ATOM 0 H ILE A 61 -0.386 -0.506 -7.117 1.00 0.00 H new ATOM 0 HA ILE A 61 1.530 -1.610 -5.204 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.332 -0.669 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.118 0.949 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.458 1.013 -5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.610 -0.477 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.452 -2.145 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.991 -1.115 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.416 2.838 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.725 1.729 -4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.055 1.664 -3.148 1.00 0.00 H new ATOM 922 N ILE A 62 0.638 -3.918 -5.087 1.00 0.00 N ATOM 923 CA ILE A 62 0.155 -5.292 -5.023 1.00 0.00 C ATOM 924 C ILE A 62 -0.269 -5.660 -3.605 1.00 0.00 C ATOM 925 O ILE A 62 -0.985 -6.639 -3.396 1.00 0.00 O ATOM 926 CB ILE A 62 1.228 -6.288 -5.500 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.628 -5.731 -5.232 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.048 -6.591 -6.980 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.072 -4.699 -6.244 1.00 0.00 C ATOM 0 H ILE A 62 1.607 -3.797 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.708 -5.355 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 62 1.114 -7.217 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.648 -5.285 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.343 -6.554 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.814 -7.296 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.062 -7.025 -7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.139 -5.669 -7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.073 -4.349 -5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.084 -5.146 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.379 -3.857 -6.233 1.00 0.00 H new ATOM 941 N GLU A 63 0.176 -4.867 -2.635 1.00 0.00 N ATOM 942 CA GLU A 63 -0.159 -5.110 -1.237 1.00 0.00 C ATOM 943 C GLU A 63 -0.458 -3.800 -0.513 1.00 0.00 C ATOM 944 O GLU A 63 0.000 -2.734 -0.925 1.00 0.00 O ATOM 945 CB GLU A 63 0.986 -5.844 -0.535 1.00 0.00 C ATOM 946 CG GLU A 63 0.529 -6.725 0.615 1.00 0.00 C ATOM 947 CD GLU A 63 1.498 -7.856 0.904 1.00 0.00 C ATOM 948 OE1 GLU A 63 1.938 -8.519 -0.058 1.00 0.00 O ATOM 949 OE2 GLU A 63 1.815 -8.077 2.092 1.00 0.00 O ATOM 0 H GLU A 63 0.769 -4.052 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.053 -5.733 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.514 -6.458 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.700 -5.111 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.411 -6.115 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.451 -7.142 0.382 1.00 0.00 H new ATOM 956 N ILE A 64 -1.227 -3.889 0.566 1.00 0.00 N ATOM 957 CA ILE A 64 -1.586 -2.712 1.347 1.00 0.00 C ATOM 958 C ILE A 64 -1.728 -3.055 2.826 1.00 0.00 C ATOM 959 O ILE A 64 -2.631 -3.793 3.218 1.00 0.00 O ATOM 960 CB ILE A 64 -2.902 -2.086 0.849 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.719 -1.513 -0.558 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.372 -1.004 1.810 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.005 -1.012 -1.179 1.00 0.00 C ATOM 0 H ILE A 64 -1.614 -4.764 0.920 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.778 -1.991 1.220 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.664 -2.864 0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.001 -0.694 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.290 -2.281 -1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.303 -0.572 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.537 -1.439 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.613 -0.225 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.799 -0.620 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.718 -1.833 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.425 -0.221 -0.558 1.00 0.00 H new ATOM 975 N ASN A 65 -0.830 -2.514 3.642 1.00 0.00 N ATOM 976 CA ASN A 65 -0.855 -2.762 5.079 1.00 0.00 C ATOM 977 C ASN A 65 -0.757 -4.256 5.375 1.00 0.00 C ATOM 978 O ASN A 65 -1.486 -4.782 6.215 1.00 0.00 O ATOM 979 CB ASN A 65 -2.134 -2.191 5.694 1.00 0.00 C ATOM 980 CG ASN A 65 -1.964 -0.758 6.158 1.00 0.00 C ATOM 981 OD1 ASN A 65 -2.963 0.074 5.888 1.00 0.00 O flip ATOM 982 ND2 ASN A 65 -0.945 -0.403 6.752 1.00 0.00 N flip ATOM 0 H ASN A 65 -0.076 -1.901 3.333 1.00 0.00 H new ATOM 0 HA ASN A 65 0.007 -2.265 5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.939 -2.239 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.435 -2.810 6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.202 -1.077 6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.844 0.565 7.058 1.00 0.00 H new ATOM 1072 N MET A 72 -9.555 -6.870 -3.927 1.00 0.00 N ATOM 1073 CA MET A 72 -10.046 -5.766 -3.110 1.00 0.00 C ATOM 1074 C MET A 72 -10.528 -4.614 -3.986 1.00 0.00 C ATOM 1075 O MET A 72 -9.950 -4.334 -5.037 1.00 0.00 O ATOM 1076 CB MET A 72 -8.949 -5.277 -2.163 1.00 0.00 C ATOM 1077 CG MET A 72 -8.114 -6.400 -1.569 1.00 0.00 C ATOM 1078 SD MET A 72 -7.232 -5.897 -0.079 1.00 0.00 S ATOM 1079 CE MET A 72 -6.748 -4.230 -0.518 1.00 0.00 C ATOM 0 HA MET A 72 -10.889 -6.129 -2.522 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.293 -4.594 -2.702 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.406 -4.708 -1.354 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.762 -7.245 -1.335 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.396 -6.746 -2.312 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.955 -3.894 0.150 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.387 -4.215 -1.546 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.607 -3.565 -0.425 1.00 0.00 H new ATOM 1089 N THR A 73 -11.592 -3.948 -3.547 1.00 0.00 N ATOM 1090 CA THR A 73 -12.152 -2.827 -4.292 1.00 0.00 C ATOM 1091 C THR A 73 -11.543 -1.506 -3.838 1.00 0.00 C ATOM 1092 O THR A 73 -11.261 -1.315 -2.655 1.00 0.00 O ATOM 1093 CB THR A 73 -13.683 -2.756 -4.132 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.042 -2.963 -2.761 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.367 -3.798 -5.004 1.00 0.00 C ATOM 0 H THR A 73 -12.083 -4.166 -2.680 1.00 0.00 H new ATOM 0 HA THR A 73 -11.911 -2.993 -5.342 1.00 0.00 H new ATOM 0 HB THR A 73 -14.014 -1.767 -4.448 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.016 -2.915 -2.667 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.447 -3.729 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.115 -3.620 -6.049 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.030 -4.793 -4.714 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.343 -0.595 -4.786 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.768 0.710 -4.482 1.00 0.00 C ATOM 1105 C HIS A 74 -11.207 1.190 -3.102 1.00 0.00 C ATOM 1106 O HIS A 74 -10.430 1.805 -2.372 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.178 1.731 -5.544 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.293 2.938 -5.588 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.487 3.983 -6.467 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.204 3.265 -4.853 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.555 4.899 -6.272 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.764 4.488 -5.298 1.00 0.00 N ATOM 0 H HIS A 74 -11.571 -0.737 -5.770 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.683 0.610 -4.484 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.170 1.249 -6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.203 2.049 -5.354 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.234 4.040 -7.160 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.763 2.674 -4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.457 5.826 -6.817 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.457 0.904 -2.751 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.999 1.305 -1.459 1.00 0.00 C ATOM 1123 C ALA A 75 -12.199 0.692 -0.315 1.00 0.00 C ATOM 1124 O ALA A 75 -11.731 1.400 0.577 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.463 0.908 -1.354 1.00 0.00 C ATOM 0 H ALA A 75 -13.113 0.396 -3.344 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.922 2.390 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.854 1.214 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.031 1.398 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.555 -0.173 -1.458 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.047 -0.628 -0.346 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.306 -1.337 0.690 1.00 0.00 C ATOM 1133 C ARG A 76 -9.962 -0.663 0.954 1.00 0.00 C ATOM 1134 O ARG A 76 -9.625 -0.354 2.096 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.087 -2.795 0.284 1.00 0.00 C ATOM 1136 CG ARG A 76 -9.992 -3.490 1.076 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.309 -3.512 2.564 1.00 0.00 C ATOM 1138 NE ARG A 76 -11.036 -4.718 2.951 1.00 0.00 N ATOM 1139 CZ ARG A 76 -11.387 -4.995 4.202 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.080 -4.156 5.181 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -12.047 -6.113 4.475 1.00 0.00 N ATOM 0 H ARG A 76 -12.427 -1.228 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.894 -1.308 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.020 -3.343 0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.838 -2.834 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.871 -4.511 0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.043 -2.979 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.381 -3.450 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.901 -2.634 2.822 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.288 -5.384 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.573 -3.295 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.351 -4.371 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.285 -6.761 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.316 -6.325 5.436 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.199 -0.441 -0.111 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.893 0.196 0.005 1.00 0.00 C ATOM 1157 C ALA A 77 -7.991 1.517 0.761 1.00 0.00 C ATOM 1158 O ALA A 77 -7.246 1.755 1.712 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.290 0.420 -1.374 1.00 0.00 C ATOM 0 H ALA A 77 -9.463 -0.693 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.242 -0.470 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.315 0.896 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.174 -0.538 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.948 1.063 -1.959 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.915 2.371 0.334 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.110 3.667 0.972 1.00 0.00 C ATOM 1167 C ILE A 78 -9.413 3.508 2.458 1.00 0.00 C ATOM 1168 O ILE A 78 -9.346 4.470 3.221 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.255 4.454 0.307 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.985 4.624 -1.189 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.424 5.810 0.978 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.186 5.865 -1.522 1.00 0.00 C ATOM 0 H ILE A 78 -9.540 2.189 -0.451 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.180 4.222 0.851 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.181 3.892 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.450 3.748 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.936 4.661 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.237 6.355 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.657 5.667 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.500 6.380 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.033 5.921 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.729 6.748 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.220 5.821 -1.020 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.746 2.285 2.861 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.058 2.000 4.256 1.00 0.00 C ATOM 1186 C GLU A 79 -8.826 1.485 4.995 1.00 0.00 C ATOM 1187 O GLU A 79 -8.566 1.871 6.136 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.189 0.974 4.350 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.063 0.036 5.539 1.00 0.00 C ATOM 1190 CD GLU A 79 -11.485 0.686 6.842 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -11.113 1.856 7.070 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.188 0.024 7.634 1.00 0.00 O ATOM 0 H GLU A 79 -9.806 1.477 2.241 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.380 2.929 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.141 1.500 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.210 0.384 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.674 -0.850 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.030 -0.301 5.623 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.072 0.611 4.338 1.00 0.00 N ATOM 1200 CA LEU A 80 -6.868 0.041 4.931 1.00 0.00 C ATOM 1201 C LEU A 80 -5.866 1.135 5.288 1.00 0.00 C ATOM 1202 O LEU A 80 -5.169 1.046 6.299 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.225 -0.960 3.969 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.044 -2.214 3.660 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.191 -3.241 2.932 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.617 -2.805 4.940 1.00 0.00 C ATOM 0 H LEU A 80 -8.273 0.282 3.394 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.155 -0.477 5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.014 -0.448 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.266 -1.270 4.385 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.873 -1.933 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.790 -4.127 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.829 -2.815 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.342 -3.518 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.197 -3.697 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.803 -3.071 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.262 -2.071 5.423 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.803 2.167 4.453 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.890 3.280 4.683 1.00 0.00 C ATOM 1220 C ILE A 81 -5.223 4.005 5.982 1.00 0.00 C ATOM 1221 O ILE A 81 -4.332 4.469 6.694 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.928 4.288 3.520 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.734 3.568 2.184 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.863 5.358 3.711 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.189 4.376 0.989 1.00 0.00 C ATOM 0 H ILE A 81 -6.373 2.255 3.612 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.888 2.857 4.753 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.904 4.772 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.679 3.320 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.282 2.626 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.903 6.063 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.043 5.888 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.879 4.890 3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.021 3.803 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.251 4.602 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.623 5.306 0.942 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.513 4.100 6.286 1.00 0.00 N ATOM 1238 CA LYS A 82 -6.967 4.766 7.501 1.00 0.00 C ATOM 1239 C LYS A 82 -7.213 3.755 8.616 1.00 0.00 C ATOM 1240 O LYS A 82 -7.395 4.128 9.775 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.246 5.559 7.225 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.107 4.962 6.125 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.375 5.770 5.909 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.068 7.153 5.355 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.309 7.931 5.086 1.00 0.00 N ATOM 0 H LYS A 82 -7.263 3.724 5.707 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.184 5.452 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.832 5.618 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.979 6.580 6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.537 4.923 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.368 3.936 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.033 5.239 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.912 5.866 6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.444 7.698 6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.493 7.056 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.057 8.867 4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.893 7.424 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.845 8.046 5.970 1.00 0.00 H new ATOM 1259 N SER A 83 -7.216 2.475 8.259 1.00 0.00 N ATOM 1260 CA SER A 83 -7.443 1.411 9.229 1.00 0.00 C ATOM 1261 C SER A 83 -6.149 1.053 9.955 1.00 0.00 C ATOM 1262 O SER A 83 -6.170 0.606 11.101 1.00 0.00 O ATOM 1263 CB SER A 83 -8.011 0.171 8.536 1.00 0.00 C ATOM 1264 OG SER A 83 -8.444 -0.790 9.483 1.00 0.00 O ATOM 0 H SER A 83 -7.064 2.150 7.304 1.00 0.00 H new ATOM 0 HA SER A 83 -8.165 1.771 9.963 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.846 0.458 7.897 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.251 -0.268 7.889 1.00 0.00 H new ATOM 0 HG SER A 83 -8.804 -1.572 9.014 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.023 1.255 9.277 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.735 0.948 9.872 1.00 0.00 C ATOM 1272 C GLY A 84 -3.351 1.930 10.961 1.00 0.00 C ATOM 1273 O GLY A 84 -2.761 1.548 11.971 1.00 0.00 O ATOM 0 H GLY A 84 -4.980 1.625 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.761 -0.059 10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.969 0.953 9.096 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.686 3.200 10.756 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.363 4.220 11.737 1.00 0.00 C ATOM 1279 C GLY A 85 -2.631 5.399 11.128 1.00 0.00 C ATOM 1280 O GLY A 85 -2.988 5.869 10.048 1.00 0.00 O ATOM 0 H GLY A 85 -4.175 3.541 9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.281 4.570 12.208 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.749 3.782 12.523 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.605 5.879 11.823 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.822 7.013 11.345 1.00 0.00 C ATOM 1286 C ARG A 86 0.294 6.549 10.414 1.00 0.00 C ATOM 1287 O ARG A 86 0.803 7.325 9.605 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.229 7.784 12.525 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.071 8.973 12.961 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.707 9.428 14.365 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.288 10.729 14.686 1.00 0.00 N ATOM 1292 CZ ARG A 86 -0.746 11.886 14.322 1.00 0.00 C ATOM 1293 NH1 ARG A 86 0.383 11.903 13.627 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -1.334 13.029 14.651 1.00 0.00 N ATOM 0 H ARG A 86 -1.296 5.501 12.719 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.487 7.672 10.787 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.110 7.105 13.369 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.767 8.134 12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.929 9.797 12.262 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.127 8.705 12.927 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.053 8.688 15.087 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.378 9.482 14.459 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.158 10.750 15.219 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.837 11.026 13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.797 12.793 13.349 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.203 13.020 15.184 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.917 13.916 14.371 1.00 0.00 H new ATOM 1308 N ARG A 87 0.670 5.280 10.535 1.00 0.00 N ATOM 1309 CA ARG A 87 1.727 4.714 9.707 1.00 0.00 C ATOM 1310 C ARG A 87 1.172 3.640 8.775 1.00 0.00 C ATOM 1311 O ARG A 87 0.571 2.664 9.224 1.00 0.00 O ATOM 1312 CB ARG A 87 2.831 4.121 10.585 1.00 0.00 C ATOM 1313 CG ARG A 87 3.262 5.034 11.721 1.00 0.00 C ATOM 1314 CD ARG A 87 4.276 4.355 12.627 1.00 0.00 C ATOM 1315 NE ARG A 87 5.025 5.318 13.430 1.00 0.00 N ATOM 1316 CZ ARG A 87 6.111 5.006 14.128 1.00 0.00 C ATOM 1317 NH1 ARG A 87 6.572 3.763 14.123 1.00 0.00 N ATOM 1318 NH2 ARG A 87 6.738 5.939 14.834 1.00 0.00 N ATOM 0 H ARG A 87 0.258 4.624 11.199 1.00 0.00 H new ATOM 0 HA ARG A 87 2.147 5.516 9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.484 3.176 11.002 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.697 3.896 9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.693 5.948 11.311 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.389 5.327 12.305 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.762 3.656 13.286 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.969 3.771 12.021 1.00 0.00 H new ATOM 0 HE ARG A 87 4.696 6.283 13.456 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.092 3.043 13.582 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.406 3.526 14.660 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.386 6.896 14.841 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.572 5.699 15.370 1.00 0.00 H new ATOM 1332 N VAL A 88 1.376 3.828 7.475 1.00 0.00 N ATOM 1333 CA VAL A 88 0.897 2.876 6.481 1.00 0.00 C ATOM 1334 C VAL A 88 2.054 2.281 5.686 1.00 0.00 C ATOM 1335 O VAL A 88 3.034 2.965 5.391 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.095 3.536 5.505 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.540 4.743 4.832 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.574 2.529 4.470 1.00 0.00 C ATOM 0 H VAL A 88 1.870 4.631 7.086 1.00 0.00 H new ATOM 0 HA VAL A 88 0.387 2.081 7.025 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.960 3.880 6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.176 5.196 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.828 5.472 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.424 4.427 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.274 3.013 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.280 2.153 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.071 1.699 4.973 1.00 0.00 H new ATOM 1348 N ARG A 89 1.934 1.003 5.343 1.00 0.00 N ATOM 1349 CA ARG A 89 2.970 0.315 4.583 1.00 0.00 C ATOM 1350 C ARG A 89 2.356 -0.558 3.493 1.00 0.00 C ATOM 1351 O ARG A 89 1.692 -1.555 3.781 1.00 0.00 O ATOM 1352 CB ARG A 89 3.831 -0.542 5.513 1.00 0.00 C ATOM 1353 CG ARG A 89 4.735 -1.518 4.779 1.00 0.00 C ATOM 1354 CD ARG A 89 5.171 -2.661 5.683 1.00 0.00 C ATOM 1355 NE ARG A 89 6.234 -2.258 6.600 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.646 -3.004 7.619 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.089 -4.185 7.849 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.619 -2.568 8.410 1.00 0.00 N ATOM 0 H ARG A 89 1.129 0.423 5.580 1.00 0.00 H new ATOM 0 HA ARG A 89 3.599 1.069 4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.444 0.113 6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.180 -1.099 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.211 -1.919 3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.614 -0.992 4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.315 -3.018 6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.516 -3.495 5.072 1.00 0.00 H new ATOM 0 HE ARG A 89 6.684 -1.355 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.342 -4.523 7.243 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.408 -4.755 8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.050 -1.660 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.935 -3.141 9.192 1.00 0.00 H new ATOM 1372 N LEU A 90 2.582 -0.178 2.240 1.00 0.00 N ATOM 1373 CA LEU A 90 2.051 -0.926 1.106 1.00 0.00 C ATOM 1374 C LEU A 90 3.176 -1.401 0.192 1.00 0.00 C ATOM 1375 O LEU A 90 4.250 -0.800 0.148 1.00 0.00 O ATOM 1376 CB LEU A 90 1.067 -0.062 0.315 1.00 0.00 C ATOM 1377 CG LEU A 90 1.292 1.449 0.388 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.863 2.116 -0.910 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.540 2.044 1.569 1.00 0.00 C ATOM 0 H LEU A 90 3.129 0.644 1.984 1.00 0.00 H new ATOM 0 HA LEU A 90 1.528 -1.801 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.108 -0.365 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.059 -0.277 0.670 1.00 0.00 H new ATOM 0 HG LEU A 90 2.357 1.632 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.030 3.191 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.446 1.711 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.196 1.924 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.712 3.120 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.527 1.850 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.895 1.589 2.493 1.00 0.00 H new ATOM 1391 N LEU A 91 2.922 -2.481 -0.538 1.00 0.00 N ATOM 1392 CA LEU A 91 3.912 -3.037 -1.454 1.00 0.00 C ATOM 1393 C LEU A 91 3.757 -2.442 -2.850 1.00 0.00 C ATOM 1394 O LEU A 91 2.774 -2.707 -3.543 1.00 0.00 O ATOM 1395 CB LEU A 91 3.780 -4.559 -1.518 1.00 0.00 C ATOM 1396 CG LEU A 91 4.968 -5.312 -2.118 1.00 0.00 C ATOM 1397 CD1 LEU A 91 4.665 -6.799 -2.213 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.319 -4.748 -3.488 1.00 0.00 C ATOM 0 H LEU A 91 2.038 -2.990 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 91 4.902 -2.781 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.612 -4.932 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.891 -4.802 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 91 5.828 -5.179 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.522 -7.318 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.463 -7.194 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.792 -6.953 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.167 -5.295 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.462 -4.850 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.580 -3.694 -3.392 1.00 0.00 H new ATOM 1410 N LEU A 92 4.733 -1.639 -3.257 1.00 0.00 N ATOM 1411 CA LEU A 92 4.706 -1.008 -4.572 1.00 0.00 C ATOM 1412 C LEU A 92 5.882 -1.474 -5.424 1.00 0.00 C ATOM 1413 O LEU A 92 6.912 -1.901 -4.901 1.00 0.00 O ATOM 1414 CB LEU A 92 4.737 0.515 -4.430 1.00 0.00 C ATOM 1415 CG LEU A 92 4.326 1.313 -5.668 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.812 1.339 -5.808 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.881 2.729 -5.598 1.00 0.00 C ATOM 0 H LEU A 92 5.553 -1.409 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 92 3.782 -1.302 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.081 0.797 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.747 0.813 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 92 4.743 0.823 -6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.538 1.911 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.438 0.320 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.373 1.805 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.579 3.283 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.493 3.228 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.969 2.691 -5.547 1.00 0.00 H new