USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 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 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -1.94! C(o=-1.9!,f=-4.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -166:sc= -0.374 (180deg=-1.17) USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= -0.454 (180deg=-1.58!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -104:sc= -5.12 (180deg=-10.2!) USER MOD Single : A 39 TYR OH : rot -121:sc= 0.763 USER MOD Single : A 52 ASN : amide:sc= -6.01 K(o=-6,f=-13!) USER MOD Single : A 55 MET CE :methyl -111:sc= -0.786 (180deg=-3.2!) USER MOD Single : A 60 GLN : amide:sc= -4.18 X(o=-4.2,f=-4.2!) USER MOD Single : A 65 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.9!) USER MOD Single : A 72 MET CE :methyl -147:sc= -1.52 (180deg=-4.51!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 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 8.911 -4.111 -3.552 1.00 0.00 N ATOM 149 CA PHE A 13 9.433 -3.385 -2.400 1.00 0.00 C ATOM 150 C PHE A 13 8.297 -2.799 -1.567 1.00 0.00 C ATOM 151 O PHE A 13 7.234 -2.466 -2.091 1.00 0.00 O ATOM 152 CB PHE A 13 10.374 -2.269 -2.858 1.00 0.00 C ATOM 153 CG PHE A 13 9.658 -1.029 -3.311 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.224 -0.903 -4.621 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.418 0.011 -2.428 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.564 0.236 -5.042 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.758 1.153 -2.842 1.00 0.00 C ATOM 158 CZ PHE A 13 8.332 1.266 -4.151 1.00 0.00 C ATOM 0 HA PHE A 13 9.989 -4.088 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.046 -2.012 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 13 10.994 -2.640 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.404 -1.705 -5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.751 -0.071 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.230 0.321 -6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.576 1.956 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.818 2.158 -4.477 1.00 0.00 H new ATOM 168 N THR A 14 8.530 -2.675 -0.264 1.00 0.00 N ATOM 169 CA THR A 14 7.528 -2.131 0.644 1.00 0.00 C ATOM 170 C THR A 14 7.709 -0.629 0.826 1.00 0.00 C ATOM 171 O THR A 14 8.774 -0.082 0.539 1.00 0.00 O ATOM 172 CB THR A 14 7.588 -2.815 2.022 1.00 0.00 C ATOM 173 OG1 THR A 14 8.877 -2.616 2.612 1.00 0.00 O ATOM 174 CG2 THR A 14 7.305 -4.305 1.900 1.00 0.00 C ATOM 0 H THR A 14 9.405 -2.944 0.186 1.00 0.00 H new ATOM 0 HA THR A 14 6.555 -2.325 0.193 1.00 0.00 H new ATOM 0 HB THR A 14 6.825 -2.367 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.906 -3.053 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.353 -4.766 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.311 -4.453 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.048 -4.764 1.248 1.00 0.00 H new ATOM 182 N VAL A 15 6.662 0.035 1.306 1.00 0.00 N ATOM 183 CA VAL A 15 6.706 1.475 1.529 1.00 0.00 C ATOM 184 C VAL A 15 6.427 1.814 2.989 1.00 0.00 C ATOM 185 O VAL A 15 5.680 1.110 3.668 1.00 0.00 O ATOM 186 CB VAL A 15 5.688 2.212 0.638 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.801 3.717 0.832 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.890 1.838 -0.823 1.00 0.00 C ATOM 0 H VAL A 15 5.773 -0.402 1.548 1.00 0.00 H new ATOM 0 HA VAL A 15 7.712 1.805 1.269 1.00 0.00 H new ATOM 0 HB VAL A 15 4.684 1.906 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.075 4.222 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.603 3.965 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.806 4.044 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.163 2.368 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.898 2.115 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.755 0.763 -0.946 1.00 0.00 H new ATOM 198 N ASP A 16 7.031 2.897 3.464 1.00 0.00 N ATOM 199 CA ASP A 16 6.847 3.332 4.844 1.00 0.00 C ATOM 200 C ASP A 16 6.628 4.840 4.914 1.00 0.00 C ATOM 201 O ASP A 16 7.497 5.622 4.527 1.00 0.00 O ATOM 202 CB ASP A 16 8.059 2.940 5.691 1.00 0.00 C ATOM 203 CG ASP A 16 7.902 3.338 7.145 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.966 4.551 7.439 1.00 0.00 O ATOM 205 OD2 ASP A 16 7.715 2.438 7.990 1.00 0.00 O ATOM 0 H ASP A 16 7.652 3.490 2.914 1.00 0.00 H new ATOM 0 HA ASP A 16 5.961 2.836 5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.210 1.862 5.627 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.952 3.412 5.282 1.00 0.00 H new ATOM 210 N MET A 17 5.463 5.242 5.410 1.00 0.00 N ATOM 211 CA MET A 17 5.130 6.656 5.531 1.00 0.00 C ATOM 212 C MET A 17 4.161 6.891 6.685 1.00 0.00 C ATOM 213 O MET A 17 3.640 5.942 7.272 1.00 0.00 O ATOM 214 CB MET A 17 4.522 7.172 4.225 1.00 0.00 C ATOM 215 CG MET A 17 5.017 6.436 2.991 1.00 0.00 C ATOM 216 SD MET A 17 4.464 7.203 1.456 1.00 0.00 S ATOM 217 CE MET A 17 2.695 7.272 1.730 1.00 0.00 C ATOM 0 H MET A 17 4.733 4.608 5.735 1.00 0.00 H new ATOM 0 HA MET A 17 6.050 7.203 5.737 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.437 7.084 4.279 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.751 8.233 4.121 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.106 6.404 3.005 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.667 5.404 3.024 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.189 7.486 0.788 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.349 6.314 2.118 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.469 8.058 2.450 1.00 0.00 H new ATOM 227 N GLU A 18 3.924 8.159 7.005 1.00 0.00 N ATOM 228 CA GLU A 18 3.017 8.516 8.090 1.00 0.00 C ATOM 229 C GLU A 18 1.841 9.336 7.569 1.00 0.00 C ATOM 230 O GLU A 18 1.796 9.702 6.394 1.00 0.00 O ATOM 231 CB GLU A 18 3.763 9.303 9.169 1.00 0.00 C ATOM 232 CG GLU A 18 4.345 8.428 10.268 1.00 0.00 C ATOM 233 CD GLU A 18 5.534 9.070 10.955 1.00 0.00 C ATOM 234 OE1 GLU A 18 5.319 9.856 11.902 1.00 0.00 O ATOM 235 OE2 GLU A 18 6.680 8.786 10.548 1.00 0.00 O ATOM 0 H GLU A 18 4.347 8.956 6.529 1.00 0.00 H new ATOM 0 HA GLU A 18 2.630 7.594 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.569 9.869 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.081 10.027 9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.572 8.218 11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.648 7.471 9.843 1.00 0.00 H new ATOM 242 N LYS A 19 0.889 9.621 8.451 1.00 0.00 N ATOM 243 CA LYS A 19 -0.289 10.398 8.083 1.00 0.00 C ATOM 244 C LYS A 19 -0.017 11.893 8.215 1.00 0.00 C ATOM 245 O LYS A 19 0.840 12.312 8.992 1.00 0.00 O ATOM 246 CB LYS A 19 -1.479 10.006 8.961 1.00 0.00 C ATOM 247 CG LYS A 19 -2.811 10.524 8.446 1.00 0.00 C ATOM 248 CD LYS A 19 -3.966 9.656 8.916 1.00 0.00 C ATOM 249 CE LYS A 19 -3.999 8.326 8.180 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.357 7.714 8.200 1.00 0.00 N ATOM 0 H LYS A 19 0.910 9.325 9.427 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.527 10.180 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.524 8.919 9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.316 10.386 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.961 11.548 8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.795 10.551 7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.876 9.478 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.907 10.184 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.683 8.474 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.285 7.641 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.552 7.272 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.401 6.991 8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.067 8.450 8.388 1.00 0.00 H new ATOM 330 N GLY A 25 -1.262 12.092 2.394 1.00 0.00 N ATOM 331 CA GLY A 25 -1.058 12.899 1.205 1.00 0.00 C ATOM 332 C GLY A 25 -0.837 12.057 -0.036 1.00 0.00 C ATOM 333 O GLY A 25 0.015 12.373 -0.866 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.924 13.543 1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.198 13.551 1.356 1.00 0.00 H new ATOM 337 N PHE A 26 -1.605 10.980 -0.163 1.00 0.00 N ATOM 338 CA PHE A 26 -1.487 10.088 -1.311 1.00 0.00 C ATOM 339 C PHE A 26 -2.823 9.418 -1.618 1.00 0.00 C ATOM 340 O PHE A 26 -3.536 8.986 -0.713 1.00 0.00 O ATOM 341 CB PHE A 26 -0.419 9.024 -1.050 1.00 0.00 C ATOM 342 CG PHE A 26 -0.963 7.765 -0.439 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.840 6.959 -1.148 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.598 7.386 0.842 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.343 5.800 -0.588 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.098 6.227 1.407 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.971 5.433 0.690 1.00 0.00 C ATOM 0 H PHE A 26 -2.316 10.704 0.515 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.192 10.685 -2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.075 8.778 -1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.342 9.439 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.133 7.240 -2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.085 8.003 1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.027 5.181 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.806 5.943 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.362 4.527 1.128 1.00 0.00 H new ATOM 357 N SER A 27 -3.156 9.335 -2.903 1.00 0.00 N ATOM 358 CA SER A 27 -4.408 8.722 -3.331 1.00 0.00 C ATOM 359 C SER A 27 -4.143 7.482 -4.179 1.00 0.00 C ATOM 360 O SER A 27 -3.058 7.319 -4.738 1.00 0.00 O ATOM 361 CB SER A 27 -5.247 9.726 -4.123 1.00 0.00 C ATOM 362 OG SER A 27 -6.571 9.253 -4.305 1.00 0.00 O ATOM 0 H SER A 27 -2.576 9.685 -3.665 1.00 0.00 H new ATOM 0 HA SER A 27 -4.960 8.421 -2.441 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.268 10.681 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.785 9.905 -5.094 1.00 0.00 H new ATOM 0 HG SER A 27 -7.087 9.913 -4.812 1.00 0.00 H new ATOM 368 N ILE A 28 -5.142 6.611 -4.269 1.00 0.00 N ATOM 369 CA ILE A 28 -5.019 5.386 -5.050 1.00 0.00 C ATOM 370 C ILE A 28 -6.062 5.334 -6.161 1.00 0.00 C ATOM 371 O ILE A 28 -7.009 6.121 -6.174 1.00 0.00 O ATOM 372 CB ILE A 28 -5.167 4.136 -4.163 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.004 4.460 -2.923 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.799 3.606 -3.761 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.538 3.233 -2.217 1.00 0.00 C ATOM 0 H ILE A 28 -6.046 6.731 -3.811 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.022 5.393 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.681 3.363 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.396 5.035 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.841 5.094 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.921 2.723 -3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.234 3.342 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.260 4.374 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.121 3.538 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.172 2.668 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.706 2.608 -1.894 1.00 0.00 H new ATOM 387 N ARG A 29 -5.883 4.401 -7.090 1.00 0.00 N ATOM 388 CA ARG A 29 -6.810 4.246 -8.205 1.00 0.00 C ATOM 389 C ARG A 29 -6.978 2.774 -8.571 1.00 0.00 C ATOM 390 O ARG A 29 -6.188 1.927 -8.157 1.00 0.00 O ATOM 391 CB ARG A 29 -6.315 5.032 -9.420 1.00 0.00 C ATOM 392 CG ARG A 29 -5.365 4.245 -10.309 1.00 0.00 C ATOM 393 CD ARG A 29 -6.115 3.493 -11.398 1.00 0.00 C ATOM 394 NE ARG A 29 -5.309 3.331 -12.605 1.00 0.00 N ATOM 395 CZ ARG A 29 -5.192 4.266 -13.542 1.00 0.00 C ATOM 396 NH1 ARG A 29 -5.826 5.423 -13.411 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.440 4.044 -14.612 1.00 0.00 N ATOM 0 H ARG A 29 -5.105 3.741 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.779 4.639 -7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.174 5.349 -10.012 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.813 5.937 -9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.645 4.924 -10.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.798 3.539 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.410 2.512 -11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.032 4.029 -11.643 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.808 2.452 -12.736 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.405 5.597 -12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.735 6.139 -14.132 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.951 3.155 -14.716 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.351 4.762 -15.331 1.00 0.00 H new ATOM 411 N GLY A 30 -8.014 2.478 -9.350 1.00 0.00 N ATOM 412 CA GLY A 30 -8.268 1.109 -9.758 1.00 0.00 C ATOM 413 C GLY A 30 -8.854 0.270 -8.640 1.00 0.00 C ATOM 414 O GLY A 30 -9.363 0.803 -7.655 1.00 0.00 O ATOM 0 H GLY A 30 -8.682 3.162 -9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.952 1.107 -10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.337 0.656 -10.098 1.00 0.00 H new ATOM 418 N GLY A 31 -8.784 -1.049 -8.792 1.00 0.00 N ATOM 419 CA GLY A 31 -9.317 -1.943 -7.781 1.00 0.00 C ATOM 420 C GLY A 31 -10.181 -3.039 -8.372 1.00 0.00 C ATOM 421 O GLY A 31 -10.490 -3.020 -9.564 1.00 0.00 O ATOM 0 H GLY A 31 -8.367 -1.515 -9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.493 -2.393 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.905 -1.368 -7.065 1.00 0.00 H new ATOM 425 N ARG A 32 -10.569 -3.999 -7.539 1.00 0.00 N ATOM 426 CA ARG A 32 -11.399 -5.110 -7.987 1.00 0.00 C ATOM 427 C ARG A 32 -12.682 -4.602 -8.639 1.00 0.00 C ATOM 428 O ARG A 32 -13.235 -5.248 -9.528 1.00 0.00 O ATOM 429 CB ARG A 32 -11.740 -6.027 -6.811 1.00 0.00 C ATOM 430 CG ARG A 32 -10.729 -7.141 -6.595 1.00 0.00 C ATOM 431 CD ARG A 32 -10.757 -8.148 -7.735 1.00 0.00 C ATOM 432 NE ARG A 32 -9.924 -7.725 -8.858 1.00 0.00 N ATOM 433 CZ ARG A 32 -9.874 -8.370 -10.018 1.00 0.00 C ATOM 434 NH1 ARG A 32 -10.603 -9.460 -10.207 1.00 0.00 N ATOM 435 NH2 ARG A 32 -9.092 -7.923 -10.993 1.00 0.00 N ATOM 0 H ARG A 32 -10.322 -4.029 -6.550 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.835 -5.676 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.808 -5.429 -5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.723 -6.467 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.729 -6.715 -6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.941 -7.649 -5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.412 -9.116 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.784 -8.282 -8.075 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.350 -6.889 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.205 -9.807 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.562 -9.953 -11.099 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.529 -7.084 -10.851 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.054 -8.418 -11.884 1.00 0.00 H new ATOM 449 N GLU A 33 -13.149 -3.442 -8.188 1.00 0.00 N ATOM 450 CA GLU A 33 -14.368 -2.849 -8.726 1.00 0.00 C ATOM 451 C GLU A 33 -14.220 -2.561 -10.217 1.00 0.00 C ATOM 452 O GLU A 33 -15.164 -2.730 -10.990 1.00 0.00 O ATOM 453 CB GLU A 33 -14.708 -1.559 -7.978 1.00 0.00 C ATOM 454 CG GLU A 33 -16.168 -1.154 -8.093 1.00 0.00 C ATOM 455 CD GLU A 33 -17.112 -2.229 -7.591 1.00 0.00 C ATOM 456 OE1 GLU A 33 -16.917 -2.707 -6.454 1.00 0.00 O ATOM 457 OE2 GLU A 33 -18.047 -2.592 -8.336 1.00 0.00 O ATOM 0 H GLU A 33 -12.702 -2.895 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.180 -3.564 -8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.456 -1.683 -6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.085 -0.752 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.333 -0.237 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.398 -0.931 -9.135 1.00 0.00 H new ATOM 464 N TYR A 34 -13.030 -2.125 -10.614 1.00 0.00 N ATOM 465 CA TYR A 34 -12.758 -1.811 -12.012 1.00 0.00 C ATOM 466 C TYR A 34 -11.951 -2.923 -12.674 1.00 0.00 C ATOM 467 O TYR A 34 -11.354 -2.728 -13.733 1.00 0.00 O ATOM 468 CB TYR A 34 -12.004 -0.484 -12.121 1.00 0.00 C ATOM 469 CG TYR A 34 -12.497 0.573 -11.159 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.634 1.321 -11.442 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.827 0.826 -9.969 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.088 2.289 -10.568 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.275 1.791 -9.088 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.405 2.520 -9.392 1.00 0.00 C ATOM 475 OH TYR A 34 -13.854 3.483 -8.517 1.00 0.00 O ATOM 0 H TYR A 34 -12.238 -1.981 -9.988 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.713 -1.723 -12.530 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.944 -0.662 -11.940 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.094 -0.107 -13.140 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.172 1.142 -12.361 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.940 0.258 -9.728 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.973 2.862 -10.804 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.743 1.973 -8.166 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.261 3.519 -7.737 1.00 0.00 H new ATOM 485 N LYS A 35 -11.939 -4.092 -12.043 1.00 0.00 N ATOM 486 CA LYS A 35 -11.208 -5.239 -12.569 1.00 0.00 C ATOM 487 C LYS A 35 -9.770 -4.860 -12.905 1.00 0.00 C ATOM 488 O LYS A 35 -9.265 -5.192 -13.977 1.00 0.00 O ATOM 489 CB LYS A 35 -11.907 -5.787 -13.815 1.00 0.00 C ATOM 490 CG LYS A 35 -13.270 -6.394 -13.531 1.00 0.00 C ATOM 491 CD LYS A 35 -13.149 -7.720 -12.799 1.00 0.00 C ATOM 492 CE LYS A 35 -14.304 -8.650 -13.135 1.00 0.00 C ATOM 493 NZ LYS A 35 -14.129 -9.293 -14.467 1.00 0.00 N ATOM 0 H LYS A 35 -12.428 -4.270 -11.166 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.191 -6.011 -11.800 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.021 -4.982 -14.541 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.271 -6.543 -14.275 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.861 -5.700 -12.933 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.806 -6.543 -14.469 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.206 -8.198 -13.064 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.125 -7.542 -11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.385 -9.420 -12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.238 -8.088 -13.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.937 -9.919 -14.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.077 -8.559 -15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.251 -9.850 -14.471 1.00 0.00 H new ATOM 507 N MET A 36 -9.115 -4.163 -11.982 1.00 0.00 N ATOM 508 CA MET A 36 -7.733 -3.742 -12.180 1.00 0.00 C ATOM 509 C MET A 36 -7.008 -3.607 -10.845 1.00 0.00 C ATOM 510 O MET A 36 -7.639 -3.535 -9.790 1.00 0.00 O ATOM 511 CB MET A 36 -7.686 -2.412 -12.935 1.00 0.00 C ATOM 512 CG MET A 36 -8.365 -1.270 -12.196 1.00 0.00 C ATOM 513 SD MET A 36 -8.877 0.063 -13.297 1.00 0.00 S ATOM 514 CE MET A 36 -7.724 1.352 -12.828 1.00 0.00 C ATOM 0 H MET A 36 -9.519 -3.878 -11.090 1.00 0.00 H new ATOM 0 HA MET A 36 -7.229 -4.506 -12.771 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.646 -2.146 -13.121 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.162 -2.539 -13.908 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.237 -1.653 -11.666 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.683 -0.873 -11.444 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.235 2.090 -12.209 1.00 0.00 H new ATOM 0 HE2 MET A 36 -6.899 0.915 -12.265 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.335 1.836 -13.724 1.00 0.00 H new ATOM 524 N ASP A 37 -5.681 -3.576 -10.898 1.00 0.00 N ATOM 525 CA ASP A 37 -4.871 -3.449 -9.692 1.00 0.00 C ATOM 526 C ASP A 37 -4.970 -2.040 -9.115 1.00 0.00 C ATOM 527 O ASP A 37 -5.534 -1.141 -9.740 1.00 0.00 O ATOM 528 CB ASP A 37 -3.410 -3.788 -9.995 1.00 0.00 C ATOM 529 CG ASP A 37 -3.274 -4.921 -10.994 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.894 -5.983 -10.774 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.548 -4.745 -11.994 1.00 0.00 O ATOM 0 H ASP A 37 -5.144 -3.637 -11.763 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.254 -4.152 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.908 -2.902 -10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.904 -4.061 -9.069 1.00 0.00 H new ATOM 536 N LEU A 38 -4.421 -1.856 -7.920 1.00 0.00 N ATOM 537 CA LEU A 38 -4.448 -0.556 -7.258 1.00 0.00 C ATOM 538 C LEU A 38 -3.167 0.224 -7.536 1.00 0.00 C ATOM 539 O LEU A 38 -2.065 -0.260 -7.275 1.00 0.00 O ATOM 540 CB LEU A 38 -4.634 -0.734 -5.750 1.00 0.00 C ATOM 541 CG LEU A 38 -5.944 -1.386 -5.307 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.741 -2.173 -4.022 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.029 -0.335 -5.126 1.00 0.00 C ATOM 0 H LEU A 38 -3.952 -2.590 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.289 0.010 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.807 -1.334 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.561 0.245 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.264 -2.078 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.684 -2.630 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.997 -2.952 -4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.397 -1.502 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.954 -0.818 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.717 0.383 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.194 0.184 -6.070 1.00 0.00 H new ATOM 555 N TYR A 39 -3.319 1.433 -8.064 1.00 0.00 N ATOM 556 CA TYR A 39 -2.175 2.280 -8.377 1.00 0.00 C ATOM 557 C TYR A 39 -2.282 3.625 -7.665 1.00 0.00 C ATOM 558 O TYR A 39 -3.334 3.977 -7.133 1.00 0.00 O ATOM 559 CB TYR A 39 -2.072 2.496 -9.888 1.00 0.00 C ATOM 560 CG TYR A 39 -2.378 1.258 -10.699 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.689 0.846 -10.907 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.357 0.498 -11.257 1.00 0.00 C ATOM 563 CE1 TYR A 39 -3.974 -0.285 -11.647 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.633 -0.634 -11.999 1.00 0.00 C ATOM 565 CZ TYR A 39 -2.942 -1.021 -12.191 1.00 0.00 C ATOM 566 OH TYR A 39 -3.221 -2.149 -12.929 1.00 0.00 O ATOM 0 H TYR A 39 -4.224 1.849 -8.284 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.275 1.775 -8.027 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.758 3.291 -10.181 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.066 2.839 -10.130 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.499 1.420 -10.483 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.330 0.798 -11.108 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.999 -0.591 -11.799 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.828 -1.213 -12.426 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.790 -2.926 -12.515 1.00 0.00 H new ATOM 576 N VAL A 40 -1.183 4.374 -7.661 1.00 0.00 N ATOM 577 CA VAL A 40 -1.152 5.682 -7.017 1.00 0.00 C ATOM 578 C VAL A 40 -1.812 6.741 -7.892 1.00 0.00 C ATOM 579 O VAL A 40 -1.195 7.270 -8.818 1.00 0.00 O ATOM 580 CB VAL A 40 0.291 6.118 -6.703 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.300 7.464 -5.995 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.997 5.061 -5.866 1.00 0.00 C ATOM 0 H VAL A 40 -0.303 4.097 -8.096 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.707 5.589 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 40 0.832 6.225 -7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.328 7.756 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.165 8.215 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.257 7.388 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.016 5.386 -5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.458 4.919 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.023 4.120 -6.415 1.00 0.00 H new ATOM 592 N LEU A 41 -3.070 7.047 -7.594 1.00 0.00 N ATOM 593 CA LEU A 41 -3.816 8.044 -8.353 1.00 0.00 C ATOM 594 C LEU A 41 -3.027 9.345 -8.465 1.00 0.00 C ATOM 595 O LEU A 41 -2.684 9.783 -9.564 1.00 0.00 O ATOM 596 CB LEU A 41 -5.169 8.311 -7.692 1.00 0.00 C ATOM 597 CG LEU A 41 -6.178 9.104 -8.524 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.572 10.419 -8.986 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.649 8.283 -9.716 1.00 0.00 C ATOM 0 H LEU A 41 -3.595 6.619 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.980 7.652 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.618 7.353 -7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.996 8.848 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.042 9.326 -7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.304 10.970 -9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.286 11.013 -8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.691 10.219 -9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.366 8.863 -10.297 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.795 8.030 -10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.124 7.368 -9.363 1.00 0.00 H new ATOM 611 N ARG A 42 -2.740 9.957 -7.321 1.00 0.00 N ATOM 612 CA ARG A 42 -1.990 11.207 -7.290 1.00 0.00 C ATOM 613 C ARG A 42 -1.289 11.388 -5.947 1.00 0.00 C ATOM 614 O ARG A 42 -1.753 10.890 -4.921 1.00 0.00 O ATOM 615 CB ARG A 42 -2.921 12.392 -7.556 1.00 0.00 C ATOM 616 CG ARG A 42 -2.438 13.695 -6.941 1.00 0.00 C ATOM 617 CD ARG A 42 -2.911 13.841 -5.502 1.00 0.00 C ATOM 618 NE ARG A 42 -4.288 14.320 -5.424 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.845 14.778 -4.309 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.145 14.820 -3.184 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.104 15.196 -4.317 1.00 0.00 N ATOM 0 H ARG A 42 -3.015 9.608 -6.403 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.232 11.166 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.027 12.525 -8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.911 12.160 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.349 13.732 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.803 14.535 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.833 12.879 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.256 14.534 -4.974 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.853 14.302 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.177 14.500 -3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.575 15.172 -2.329 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.646 15.166 -5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.530 15.547 -3.460 1.00 0.00 H new ATOM 635 N LEU A 43 -0.169 12.103 -5.962 1.00 0.00 N ATOM 636 CA LEU A 43 0.597 12.350 -4.745 1.00 0.00 C ATOM 637 C LEU A 43 0.441 13.796 -4.288 1.00 0.00 C ATOM 638 O LEU A 43 0.332 14.708 -5.107 1.00 0.00 O ATOM 639 CB LEU A 43 2.075 12.031 -4.976 1.00 0.00 C ATOM 640 CG LEU A 43 2.514 10.605 -4.642 1.00 0.00 C ATOM 641 CD1 LEU A 43 4.019 10.457 -4.811 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.096 10.235 -3.227 1.00 0.00 C ATOM 0 H LEU A 43 0.229 12.522 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 43 0.210 11.698 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.309 12.226 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.672 12.722 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 43 2.022 9.922 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.314 9.436 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.293 10.679 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.530 11.150 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.417 9.217 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.560 10.922 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.012 10.300 -3.139 1.00 0.00 H new ATOM 654 N ALA A 44 0.435 13.999 -2.974 1.00 0.00 N ATOM 655 CA ALA A 44 0.298 15.335 -2.408 1.00 0.00 C ATOM 656 C ALA A 44 1.647 16.042 -2.335 1.00 0.00 C ATOM 657 O ALA A 44 2.566 15.574 -1.664 1.00 0.00 O ATOM 658 CB ALA A 44 -0.337 15.261 -1.027 1.00 0.00 C ATOM 0 H ALA A 44 0.523 13.255 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.351 15.915 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.433 16.266 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.324 14.805 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.291 14.659 -0.370 1.00 0.00 H new ATOM 664 N GLU A 45 1.758 17.169 -3.030 1.00 0.00 N ATOM 665 CA GLU A 45 2.997 17.938 -3.043 1.00 0.00 C ATOM 666 C GLU A 45 3.348 18.430 -1.642 1.00 0.00 C ATOM 667 O GLU A 45 4.518 18.645 -1.323 1.00 0.00 O ATOM 668 CB GLU A 45 2.874 19.129 -3.997 1.00 0.00 C ATOM 669 CG GLU A 45 1.856 20.164 -3.550 1.00 0.00 C ATOM 670 CD GLU A 45 1.730 21.318 -4.526 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.770 21.911 -4.879 1.00 0.00 O ATOM 672 OE2 GLU A 45 0.592 21.627 -4.936 1.00 0.00 O ATOM 0 H GLU A 45 1.006 17.570 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 45 3.796 17.283 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.848 19.608 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.598 18.764 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.884 19.685 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.142 20.550 -2.572 1.00 0.00 H new ATOM 679 N ASP A 46 2.327 18.605 -0.810 1.00 0.00 N ATOM 680 CA ASP A 46 2.527 19.070 0.558 1.00 0.00 C ATOM 681 C ASP A 46 2.195 17.969 1.560 1.00 0.00 C ATOM 682 O ASP A 46 1.806 18.245 2.694 1.00 0.00 O ATOM 683 CB ASP A 46 1.663 20.303 0.831 1.00 0.00 C ATOM 684 CG ASP A 46 2.105 21.056 2.070 1.00 0.00 C ATOM 685 OD1 ASP A 46 2.956 21.962 1.942 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.599 20.742 3.167 1.00 0.00 O ATOM 0 H ASP A 46 1.353 18.432 -1.059 1.00 0.00 H new ATOM 0 HA ASP A 46 3.577 19.338 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.704 20.970 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.624 19.996 0.947 1.00 0.00 H new ATOM 691 N GLY A 47 2.351 16.720 1.132 1.00 0.00 N ATOM 692 CA GLY A 47 2.063 15.596 2.004 1.00 0.00 C ATOM 693 C GLY A 47 3.310 14.825 2.387 1.00 0.00 C ATOM 694 O GLY A 47 4.392 15.040 1.840 1.00 0.00 O ATOM 0 H GLY A 47 2.672 16.466 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.571 15.958 2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.363 14.925 1.507 1.00 0.00 H new ATOM 698 N PRO A 48 3.168 13.903 3.351 1.00 0.00 N ATOM 699 CA PRO A 48 4.282 13.079 3.830 1.00 0.00 C ATOM 700 C PRO A 48 4.740 12.063 2.790 1.00 0.00 C ATOM 701 O PRO A 48 5.905 11.666 2.767 1.00 0.00 O ATOM 702 CB PRO A 48 3.698 12.367 5.052 1.00 0.00 C ATOM 703 CG PRO A 48 2.229 12.334 4.805 1.00 0.00 C ATOM 704 CD PRO A 48 1.908 13.594 4.048 1.00 0.00 C ATOM 0 HA PRO A 48 5.166 13.678 4.051 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.105 11.361 5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.933 12.902 5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.950 11.451 4.230 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.676 12.291 5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.087 13.444 3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.611 14.401 4.718 1.00 0.00 H new ATOM 712 N ALA A 49 3.816 11.646 1.930 1.00 0.00 N ATOM 713 CA ALA A 49 4.126 10.677 0.886 1.00 0.00 C ATOM 714 C ALA A 49 5.179 11.222 -0.073 1.00 0.00 C ATOM 715 O ALA A 49 6.312 10.740 -0.104 1.00 0.00 O ATOM 716 CB ALA A 49 2.864 10.298 0.126 1.00 0.00 C ATOM 0 H ALA A 49 2.847 11.964 1.936 1.00 0.00 H new ATOM 0 HA ALA A 49 4.532 9.785 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.111 9.574 -0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.142 9.860 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.434 11.189 -0.332 1.00 0.00 H new ATOM 722 N ILE A 50 4.799 12.227 -0.854 1.00 0.00 N ATOM 723 CA ILE A 50 5.711 12.837 -1.813 1.00 0.00 C ATOM 724 C ILE A 50 7.093 13.043 -1.203 1.00 0.00 C ATOM 725 O ILE A 50 8.096 13.099 -1.915 1.00 0.00 O ATOM 726 CB ILE A 50 5.177 14.191 -2.316 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.691 14.474 -3.729 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.584 15.307 -1.365 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.814 15.426 -4.512 1.00 0.00 C ATOM 0 H ILE A 50 3.865 12.636 -0.841 1.00 0.00 H new ATOM 0 HA ILE A 50 5.787 12.150 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 50 4.088 14.146 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.697 14.889 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.769 13.533 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.199 16.258 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.173 15.109 -0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.671 15.355 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.239 15.580 -5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.814 15.004 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.756 16.381 -3.989 1.00 0.00 H new ATOM 741 N ARG A 51 7.139 13.154 0.121 1.00 0.00 N ATOM 742 CA ARG A 51 8.398 13.353 0.828 1.00 0.00 C ATOM 743 C ARG A 51 9.116 12.024 1.045 1.00 0.00 C ATOM 744 O ARG A 51 10.343 11.956 1.005 1.00 0.00 O ATOM 745 CB ARG A 51 8.150 14.037 2.174 1.00 0.00 C ATOM 746 CG ARG A 51 7.601 15.449 2.047 1.00 0.00 C ATOM 747 CD ARG A 51 7.126 15.984 3.389 1.00 0.00 C ATOM 748 NE ARG A 51 6.680 17.371 3.298 1.00 0.00 N ATOM 749 CZ ARG A 51 7.502 18.413 3.365 1.00 0.00 C ATOM 750 NH1 ARG A 51 8.805 18.224 3.521 1.00 0.00 N ATOM 751 NH2 ARG A 51 7.021 19.646 3.274 1.00 0.00 N ATOM 0 H ARG A 51 6.319 13.109 0.725 1.00 0.00 H new ATOM 0 HA ARG A 51 9.032 13.993 0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.451 13.435 2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.085 14.069 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.372 16.106 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.774 15.457 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.309 15.364 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.935 15.910 4.116 1.00 0.00 H new ATOM 0 HE ARG A 51 5.683 17.550 3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.178 17.277 3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.434 19.025 3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.019 19.795 3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.653 20.445 3.326 1.00 0.00 H new ATOM 765 N ASN A 52 8.340 10.970 1.277 1.00 0.00 N ATOM 766 CA ASN A 52 8.902 9.643 1.502 1.00 0.00 C ATOM 767 C ASN A 52 9.800 9.228 0.340 1.00 0.00 C ATOM 768 O ASN A 52 10.990 8.975 0.521 1.00 0.00 O ATOM 769 CB ASN A 52 7.782 8.617 1.687 1.00 0.00 C ATOM 770 CG ASN A 52 8.106 7.284 1.041 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.129 6.668 1.343 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.235 6.832 0.147 1.00 0.00 N ATOM 0 H ASN A 52 7.321 11.009 1.314 1.00 0.00 H new ATOM 0 HA ASN A 52 9.505 9.680 2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.602 8.467 2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.859 9.010 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.400 5.941 -0.321 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.400 7.376 -0.072 1.00 0.00 H new ATOM 779 N GLY A 53 9.219 9.160 -0.855 1.00 0.00 N ATOM 780 CA GLY A 53 9.981 8.776 -2.029 1.00 0.00 C ATOM 781 C GLY A 53 9.809 7.311 -2.377 1.00 0.00 C ATOM 782 O GLY A 53 9.493 6.970 -3.518 1.00 0.00 O ATOM 0 H GLY A 53 8.235 9.364 -1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.670 9.387 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.037 8.984 -1.857 1.00 0.00 H new ATOM 786 N ARG A 54 10.019 6.441 -1.394 1.00 0.00 N ATOM 787 CA ARG A 54 9.888 5.005 -1.604 1.00 0.00 C ATOM 788 C ARG A 54 8.788 4.701 -2.617 1.00 0.00 C ATOM 789 O ARG A 54 8.881 3.738 -3.378 1.00 0.00 O ATOM 790 CB ARG A 54 9.586 4.300 -0.281 1.00 0.00 C ATOM 791 CG ARG A 54 10.776 4.238 0.662 1.00 0.00 C ATOM 792 CD ARG A 54 10.496 3.336 1.855 1.00 0.00 C ATOM 793 NE ARG A 54 11.717 2.991 2.578 1.00 0.00 N ATOM 794 CZ ARG A 54 12.580 2.069 2.166 1.00 0.00 C ATOM 795 NH1 ARG A 54 12.358 1.405 1.041 1.00 0.00 N ATOM 796 NH2 ARG A 54 13.668 1.811 2.880 1.00 0.00 N ATOM 0 H ARG A 54 10.281 6.706 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 54 10.834 4.634 -1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.765 4.816 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.245 3.286 -0.489 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.649 3.870 0.124 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.017 5.242 1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.802 3.835 2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.007 2.424 1.513 1.00 0.00 H new ATOM 0 HE ARG A 54 11.918 3.485 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.523 1.601 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.022 0.698 0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.842 2.321 3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.330 1.103 2.563 1.00 0.00 H new ATOM 810 N MET A 55 7.748 5.529 -2.620 1.00 0.00 N ATOM 811 CA MET A 55 6.631 5.349 -3.540 1.00 0.00 C ATOM 812 C MET A 55 6.360 6.630 -4.322 1.00 0.00 C ATOM 813 O MET A 55 6.601 7.732 -3.830 1.00 0.00 O ATOM 814 CB MET A 55 5.375 4.929 -2.775 1.00 0.00 C ATOM 815 CG MET A 55 4.729 6.064 -1.998 1.00 0.00 C ATOM 816 SD MET A 55 3.074 5.652 -1.412 1.00 0.00 S ATOM 817 CE MET A 55 2.065 6.469 -2.646 1.00 0.00 C ATOM 0 H MET A 55 7.656 6.331 -1.996 1.00 0.00 H new ATOM 0 HA MET A 55 6.897 4.562 -4.246 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.649 4.523 -3.480 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.632 4.126 -2.084 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.359 6.320 -1.146 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.676 6.949 -2.632 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.547 7.313 -2.191 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.700 6.827 -3.457 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.333 5.765 -3.042 1.00 0.00 H new ATOM 827 N ARG A 56 5.858 6.477 -5.543 1.00 0.00 N ATOM 828 CA ARG A 56 5.555 7.622 -6.394 1.00 0.00 C ATOM 829 C ARG A 56 4.235 7.418 -7.130 1.00 0.00 C ATOM 830 O ARG A 56 3.531 6.434 -6.904 1.00 0.00 O ATOM 831 CB ARG A 56 6.684 7.848 -7.402 1.00 0.00 C ATOM 832 CG ARG A 56 7.748 8.818 -6.917 1.00 0.00 C ATOM 833 CD ARG A 56 8.755 8.132 -6.006 1.00 0.00 C ATOM 834 NE ARG A 56 10.083 8.730 -6.110 1.00 0.00 N ATOM 835 CZ ARG A 56 10.412 9.892 -5.556 1.00 0.00 C ATOM 836 NH1 ARG A 56 9.513 10.577 -4.863 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.642 10.370 -5.695 1.00 0.00 N ATOM 0 H ARG A 56 5.652 5.572 -5.965 1.00 0.00 H new ATOM 0 HA ARG A 56 5.464 8.502 -5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.153 6.891 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.259 8.224 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.266 9.250 -7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.274 9.642 -6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.410 8.192 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.813 7.074 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 56 10.798 8.228 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.567 10.212 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.768 11.469 -4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.336 9.845 -6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.894 11.262 -5.269 1.00 0.00 H new ATOM 851 N VAL A 57 3.904 8.356 -8.013 1.00 0.00 N ATOM 852 CA VAL A 57 2.669 8.279 -8.783 1.00 0.00 C ATOM 853 C VAL A 57 2.855 7.434 -10.038 1.00 0.00 C ATOM 854 O VAL A 57 3.917 7.452 -10.659 1.00 0.00 O ATOM 855 CB VAL A 57 2.173 9.680 -9.190 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.896 9.577 -10.010 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.956 10.546 -7.958 1.00 0.00 C ATOM 0 H VAL A 57 4.475 9.178 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 57 1.924 7.810 -8.140 1.00 0.00 H new ATOM 0 HB VAL A 57 2.937 10.152 -9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.561 10.576 -10.288 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.088 8.995 -10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.123 9.086 -9.419 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.606 11.532 -8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.211 10.080 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.895 10.647 -7.414 1.00 0.00 H new ATOM 867 N GLY A 58 1.814 6.694 -10.407 1.00 0.00 N ATOM 868 CA GLY A 58 1.883 5.852 -11.587 1.00 0.00 C ATOM 869 C GLY A 58 2.263 4.422 -11.258 1.00 0.00 C ATOM 870 O GLY A 58 1.930 3.498 -11.999 1.00 0.00 O ATOM 0 H GLY A 58 0.924 6.663 -9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.917 5.861 -12.093 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.611 6.267 -12.284 1.00 0.00 H new ATOM 874 N ASP A 59 2.964 4.240 -10.144 1.00 0.00 N ATOM 875 CA ASP A 59 3.391 2.912 -9.719 1.00 0.00 C ATOM 876 C ASP A 59 2.196 1.973 -9.588 1.00 0.00 C ATOM 877 O ASP A 59 1.048 2.393 -9.721 1.00 0.00 O ATOM 878 CB ASP A 59 4.138 2.996 -8.386 1.00 0.00 C ATOM 879 CG ASP A 59 5.411 3.813 -8.487 1.00 0.00 C ATOM 880 OD1 ASP A 59 6.396 3.306 -9.063 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.423 4.958 -7.988 1.00 0.00 O ATOM 0 H ASP A 59 3.248 4.995 -9.520 1.00 0.00 H new ATOM 0 HA ASP A 59 4.063 2.512 -10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.485 3.438 -7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.381 1.990 -8.045 1.00 0.00 H new ATOM 886 N GLN A 60 2.477 0.700 -9.329 1.00 0.00 N ATOM 887 CA GLN A 60 1.424 -0.299 -9.183 1.00 0.00 C ATOM 888 C GLN A 60 1.518 -0.994 -7.829 1.00 0.00 C ATOM 889 O GLN A 60 2.503 -1.673 -7.536 1.00 0.00 O ATOM 890 CB GLN A 60 1.513 -1.332 -10.308 1.00 0.00 C ATOM 891 CG GLN A 60 0.340 -2.298 -10.340 1.00 0.00 C ATOM 892 CD GLN A 60 0.573 -3.529 -9.487 1.00 0.00 C ATOM 893 OE1 GLN A 60 1.609 -4.186 -9.595 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.392 -3.849 -8.633 1.00 0.00 N ATOM 0 H GLN A 60 3.423 0.336 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 60 0.462 0.211 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.571 -0.812 -11.264 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.437 -1.899 -10.197 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.557 -1.785 -9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.155 -2.604 -11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.234 -3.276 -8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.291 -4.668 -8.033 1.00 0.00 H new ATOM 903 N ILE A 61 0.488 -0.821 -7.008 1.00 0.00 N ATOM 904 CA ILE A 61 0.455 -1.433 -5.685 1.00 0.00 C ATOM 905 C ILE A 61 -0.112 -2.847 -5.748 1.00 0.00 C ATOM 906 O ILE A 61 -1.173 -3.076 -6.329 1.00 0.00 O ATOM 907 CB ILE A 61 -0.385 -0.598 -4.700 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.047 0.888 -4.839 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.149 -1.069 -3.273 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.205 1.804 -4.514 1.00 0.00 C ATOM 0 H ILE A 61 -0.335 -0.262 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 61 1.484 -1.473 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.440 -0.735 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.789 1.125 -4.181 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.285 1.083 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.749 -0.470 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.435 -2.117 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.906 -0.958 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.893 2.841 -4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.035 1.594 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.523 1.637 -3.485 1.00 0.00 H new ATOM 922 N ILE A 62 0.601 -3.792 -5.144 1.00 0.00 N ATOM 923 CA ILE A 62 0.168 -5.183 -5.129 1.00 0.00 C ATOM 924 C ILE A 62 -0.320 -5.592 -3.743 1.00 0.00 C ATOM 925 O ILE A 62 -1.074 -6.553 -3.598 1.00 0.00 O ATOM 926 CB ILE A 62 1.302 -6.131 -5.562 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.663 -5.522 -5.220 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.206 -6.426 -7.051 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.170 -4.552 -6.264 1.00 0.00 C ATOM 0 H ILE A 62 1.481 -3.619 -4.659 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.654 -5.265 -5.840 1.00 0.00 H new ATOM 0 HB ILE A 62 1.199 -7.070 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.591 -5.007 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.391 -6.324 -5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.014 -7.097 -7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.247 -6.897 -7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.288 -5.495 -7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.139 -4.159 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.274 -5.067 -7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.463 -3.730 -6.371 1.00 0.00 H new ATOM 941 N GLU A 63 0.114 -4.852 -2.727 1.00 0.00 N ATOM 942 CA GLU A 63 -0.279 -5.138 -1.352 1.00 0.00 C ATOM 943 C GLU A 63 -0.474 -3.846 -0.563 1.00 0.00 C ATOM 944 O GLU A 63 0.052 -2.796 -0.932 1.00 0.00 O ATOM 945 CB GLU A 63 0.773 -6.013 -0.668 1.00 0.00 C ATOM 946 CG GLU A 63 0.212 -6.881 0.446 1.00 0.00 C ATOM 947 CD GLU A 63 1.255 -7.800 1.051 1.00 0.00 C ATOM 948 OE1 GLU A 63 1.938 -7.376 2.006 1.00 0.00 O ATOM 949 OE2 GLU A 63 1.388 -8.944 0.568 1.00 0.00 O ATOM 0 H GLU A 63 0.737 -4.051 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.227 -5.676 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.242 -6.653 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.556 -5.373 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.200 -6.242 1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.611 -7.479 0.056 1.00 0.00 H new ATOM 956 N ILE A 64 -1.233 -3.933 0.525 1.00 0.00 N ATOM 957 CA ILE A 64 -1.496 -2.773 1.366 1.00 0.00 C ATOM 958 C ILE A 64 -1.657 -3.179 2.827 1.00 0.00 C ATOM 959 O ILE A 64 -2.458 -4.052 3.155 1.00 0.00 O ATOM 960 CB ILE A 64 -2.762 -2.023 0.911 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.549 -1.412 -0.475 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.131 -0.946 1.920 1.00 0.00 C ATOM 963 CD1 ILE A 64 -3.779 -0.727 -1.029 1.00 0.00 C ATOM 0 H ILE A 64 -1.676 -4.795 0.844 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.636 -2.110 1.268 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.586 -2.734 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.733 -0.691 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.238 -2.196 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.028 -0.425 1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.320 -1.406 2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.310 -0.235 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.555 -0.317 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.591 -1.449 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.079 0.080 -0.360 1.00 0.00 H new ATOM 975 N ASN A 65 -0.889 -2.536 3.702 1.00 0.00 N ATOM 976 CA ASN A 65 -0.947 -2.829 5.130 1.00 0.00 C ATOM 977 C ASN A 65 -0.920 -4.334 5.377 1.00 0.00 C ATOM 978 O ASN A 65 -1.687 -4.855 6.187 1.00 0.00 O ATOM 979 CB ASN A 65 -2.209 -2.222 5.745 1.00 0.00 C ATOM 980 CG ASN A 65 -1.984 -0.811 6.253 1.00 0.00 C ATOM 981 OD1 ASN A 65 -0.922 -0.495 6.791 1.00 0.00 O ATOM 982 ND2 ASN A 65 -2.985 0.045 6.085 1.00 0.00 N ATOM 0 H ASN A 65 -0.220 -1.809 3.447 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.071 -2.385 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.005 -2.214 5.001 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.548 -2.852 6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.892 1.008 6.407 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.847 -0.261 5.634 1.00 0.00 H new ATOM 1072 N MET A 72 -9.441 -7.034 -3.686 1.00 0.00 N ATOM 1073 CA MET A 72 -9.934 -5.899 -2.915 1.00 0.00 C ATOM 1074 C MET A 72 -10.427 -4.788 -3.837 1.00 0.00 C ATOM 1075 O MET A 72 -9.923 -4.619 -4.948 1.00 0.00 O ATOM 1076 CB MET A 72 -8.836 -5.364 -1.995 1.00 0.00 C ATOM 1077 CG MET A 72 -8.113 -6.451 -1.216 1.00 0.00 C ATOM 1078 SD MET A 72 -7.423 -5.850 0.338 1.00 0.00 S ATOM 1079 CE MET A 72 -6.656 -4.323 -0.200 1.00 0.00 C ATOM 0 HA MET A 72 -10.772 -6.241 -2.308 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.110 -4.812 -2.592 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.275 -4.656 -1.292 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.806 -7.267 -1.010 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.311 -6.861 -1.830 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.760 -4.138 0.392 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.385 -4.403 -1.253 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.356 -3.498 -0.067 1.00 0.00 H new ATOM 1089 N THR A 73 -11.416 -4.032 -3.370 1.00 0.00 N ATOM 1090 CA THR A 73 -11.977 -2.939 -4.153 1.00 0.00 C ATOM 1091 C THR A 73 -11.400 -1.597 -3.717 1.00 0.00 C ATOM 1092 O THR A 73 -11.057 -1.408 -2.550 1.00 0.00 O ATOM 1093 CB THR A 73 -13.512 -2.890 -4.030 1.00 0.00 C ATOM 1094 OG1 THR A 73 -13.893 -2.902 -2.649 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.151 -4.069 -4.747 1.00 0.00 C ATOM 0 H THR A 73 -11.845 -4.157 -2.453 1.00 0.00 H new ATOM 0 HA THR A 73 -11.709 -3.125 -5.193 1.00 0.00 H new ATOM 0 HB THR A 73 -13.862 -1.969 -4.496 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.870 -2.869 -2.579 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.235 -4.012 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.883 -4.041 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.794 -5.000 -4.306 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.297 -0.668 -4.662 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.762 0.658 -4.374 1.00 0.00 C ATOM 1105 C HIS A 74 -11.194 1.129 -2.988 1.00 0.00 C ATOM 1106 O HIS A 74 -10.429 1.781 -2.277 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.225 1.659 -5.433 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.376 2.891 -5.504 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.714 3.995 -6.258 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.199 3.191 -4.908 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.780 4.920 -6.125 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.849 4.457 -5.310 1.00 0.00 N ATOM 0 H HIS A 74 -11.577 -0.809 -5.633 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.674 0.596 -4.395 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.225 1.171 -6.408 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.254 1.949 -5.222 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.639 2.553 -4.240 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.778 5.889 -6.601 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.007 4.958 -5.026 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.424 0.795 -2.612 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.957 1.183 -1.312 1.00 0.00 C ATOM 1123 C ALA A 75 -12.130 0.584 -0.179 1.00 0.00 C ATOM 1124 O ALA A 75 -11.666 1.300 0.709 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.412 0.755 -1.189 1.00 0.00 C ATOM 0 H ALA A 75 -13.070 0.257 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.901 2.269 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.797 1.051 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.000 1.234 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.483 -0.328 -1.294 1.00 0.00 H new ATOM 1131 N ARG A 76 -11.949 -0.732 -0.216 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.179 -1.426 0.809 1.00 0.00 C ATOM 1133 C ARG A 76 -9.841 -0.733 1.047 1.00 0.00 C ATOM 1134 O ARG A 76 -9.514 -0.362 2.173 1.00 0.00 O ATOM 1135 CB ARG A 76 -10.947 -2.883 0.403 1.00 0.00 C ATOM 1136 CG ARG A 76 -9.939 -3.606 1.281 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.316 -3.518 2.751 1.00 0.00 C ATOM 1138 NE ARG A 76 -9.877 -4.693 3.500 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.411 -5.069 4.657 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.399 -4.367 5.194 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -9.956 -6.149 5.279 1.00 0.00 N ATOM 0 H ARG A 76 -12.325 -1.339 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.751 -1.401 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.897 -3.417 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.603 -2.913 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.879 -4.652 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.949 -3.174 1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.871 -2.623 3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.397 -3.413 2.842 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.119 -5.256 3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.751 -3.536 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.807 -4.658 6.082 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.196 -6.691 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.367 -6.437 6.167 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.070 -0.564 -0.023 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.768 0.086 0.069 1.00 0.00 C ATOM 1157 C ALA A 77 -7.874 1.431 0.780 1.00 0.00 C ATOM 1158 O ALA A 77 -7.075 1.741 1.664 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.169 0.265 -1.318 1.00 0.00 C ATOM 0 H ALA A 77 -9.324 -0.868 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.110 -0.554 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.197 0.751 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.048 -0.710 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.833 0.882 -1.924 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.865 2.225 0.387 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.074 3.537 0.988 1.00 0.00 C ATOM 1167 C ILE A 78 -9.406 3.416 2.471 1.00 0.00 C ATOM 1168 O ILE A 78 -9.277 4.378 3.226 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.207 4.305 0.281 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.908 4.435 -1.214 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.390 5.677 0.911 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.096 5.662 -1.564 1.00 0.00 C ATOM 0 H ILE A 78 -9.535 1.983 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.142 4.090 0.871 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.135 3.746 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.371 3.547 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.849 4.463 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.194 6.207 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.643 5.563 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.465 6.246 0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.922 5.689 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.640 6.557 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.139 5.626 -1.043 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.833 2.225 2.881 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.183 1.978 4.275 1.00 0.00 C ATOM 1186 C GLU A 79 -8.990 1.416 5.044 1.00 0.00 C ATOM 1187 O GLU A 79 -8.831 1.671 6.238 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.364 1.009 4.364 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.295 0.075 5.560 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.667 -0.309 6.080 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.637 0.422 5.792 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.769 -1.341 6.776 1.00 0.00 O ATOM 0 H GLU A 79 -9.945 1.417 2.268 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.468 2.929 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.290 1.582 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.405 0.415 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.751 -0.827 5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.729 0.554 6.359 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.155 0.651 4.350 1.00 0.00 N ATOM 1200 CA LEU A 80 -6.976 0.051 4.966 1.00 0.00 C ATOM 1201 C LEU A 80 -5.968 1.123 5.370 1.00 0.00 C ATOM 1202 O LEU A 80 -5.321 1.018 6.412 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.323 -0.943 4.004 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.143 -2.189 3.668 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.295 -3.197 2.909 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.711 -2.812 4.935 1.00 0.00 C ATOM 0 H LEU A 80 -8.272 0.431 3.361 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.295 -0.479 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.094 -0.422 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.373 -1.262 4.433 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.975 -1.892 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.895 -4.077 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.939 -2.748 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.442 -3.490 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.292 -3.697 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.894 -3.095 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.355 -2.090 5.438 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.843 2.153 4.540 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.917 3.244 4.813 1.00 0.00 C ATOM 1220 C ILE A 81 -5.284 3.967 6.105 1.00 0.00 C ATOM 1221 O ILE A 81 -4.412 4.432 6.839 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.892 4.263 3.658 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.647 3.550 2.326 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.823 5.317 3.905 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.115 4.340 1.123 1.00 0.00 C ATOM 0 H ILE A 81 -6.371 2.254 3.673 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.927 2.799 4.917 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.861 4.760 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.581 3.345 2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.157 2.587 2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.817 6.030 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.037 5.841 4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.847 4.836 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.910 3.774 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.187 4.523 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.586 5.292 1.085 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.581 4.056 6.378 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.066 4.719 7.583 1.00 0.00 C ATOM 1239 C LYS A 82 -7.343 3.705 8.688 1.00 0.00 C ATOM 1240 O LYS A 82 -7.478 4.067 9.856 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.336 5.515 7.276 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.200 4.889 6.195 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.475 5.684 5.971 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.189 7.021 5.305 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.377 7.919 5.330 1.00 0.00 N ATOM 0 H LYS A 82 -7.316 3.677 5.781 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.291 5.403 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.924 5.611 8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.058 6.523 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.636 4.834 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.452 3.867 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.161 5.107 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.973 5.851 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.355 7.508 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.882 6.854 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.141 8.820 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.165 7.466 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.655 8.099 6.316 1.00 0.00 H new ATOM 1259 N SER A 83 -7.427 2.433 8.310 1.00 0.00 N ATOM 1260 CA SER A 83 -7.691 1.367 9.269 1.00 0.00 C ATOM 1261 C SER A 83 -6.424 1.000 10.036 1.00 0.00 C ATOM 1262 O SER A 83 -6.487 0.457 11.138 1.00 0.00 O ATOM 1263 CB SER A 83 -8.241 0.132 8.552 1.00 0.00 C ATOM 1264 OG SER A 83 -8.505 -0.915 9.469 1.00 0.00 O ATOM 0 H SER A 83 -7.316 2.116 7.347 1.00 0.00 H new ATOM 0 HA SER A 83 -8.434 1.728 9.980 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.156 0.394 8.021 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.524 -0.207 7.804 1.00 0.00 H new ATOM 0 HG SER A 83 -8.857 -1.692 8.986 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.272 1.303 9.444 1.00 0.00 N ATOM 1271 CA GLY A 84 -4.006 0.998 10.085 1.00 0.00 C ATOM 1272 C GLY A 84 -3.657 1.989 11.178 1.00 0.00 C ATOM 1273 O GLY A 84 -3.332 1.598 12.298 1.00 0.00 O ATOM 0 H GLY A 84 -5.193 1.754 8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.049 -0.005 10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.214 0.994 9.336 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.722 3.276 10.851 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.406 4.305 11.824 1.00 0.00 C ATOM 1279 C GLY A 85 -2.702 5.495 11.202 1.00 0.00 C ATOM 1280 O GLY A 85 -3.139 6.017 10.177 1.00 0.00 O ATOM 0 H GLY A 85 -3.988 3.624 9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.325 4.641 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.775 3.881 12.605 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.609 5.925 11.824 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.845 7.063 11.327 1.00 0.00 C ATOM 1286 C ARG A 86 0.245 6.605 10.362 1.00 0.00 C ATOM 1287 O ARG A 86 0.703 7.375 9.517 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.219 7.833 12.491 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.071 8.992 12.983 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.619 9.474 14.352 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.304 8.772 15.434 1.00 0.00 N ATOM 1292 CZ ARG A 86 -2.526 9.081 15.853 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -3.194 10.075 15.283 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -3.083 8.396 16.843 1.00 0.00 N ATOM 0 H ARG A 86 -1.233 5.503 12.673 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.529 7.721 10.791 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.044 7.145 13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.754 8.214 12.182 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.015 9.814 12.270 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.115 8.683 13.031 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.457 9.329 14.450 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.806 10.544 14.439 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.817 8.002 15.893 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.769 10.604 14.521 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.132 10.310 15.606 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.573 7.631 17.284 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.021 8.635 17.163 1.00 0.00 H new ATOM 1308 N ARG A 87 0.655 5.348 10.493 1.00 0.00 N ATOM 1309 CA ARG A 87 1.692 4.788 9.635 1.00 0.00 C ATOM 1310 C ARG A 87 1.115 3.718 8.713 1.00 0.00 C ATOM 1311 O ARG A 87 0.485 2.764 9.170 1.00 0.00 O ATOM 1312 CB ARG A 87 2.819 4.195 10.481 1.00 0.00 C ATOM 1313 CG ARG A 87 3.412 5.175 11.480 1.00 0.00 C ATOM 1314 CD ARG A 87 4.324 4.474 12.475 1.00 0.00 C ATOM 1315 NE ARG A 87 5.537 3.965 11.841 1.00 0.00 N ATOM 1316 CZ ARG A 87 6.529 3.387 12.509 1.00 0.00 C ATOM 1317 NH1 ARG A 87 6.451 3.245 13.825 1.00 0.00 N ATOM 1318 NH2 ARG A 87 7.601 2.949 11.861 1.00 0.00 N ATOM 0 H ARG A 87 0.285 4.697 11.186 1.00 0.00 H new ATOM 0 HA ARG A 87 2.095 5.593 9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.439 3.326 11.019 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.610 3.840 9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.974 5.943 10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.609 5.681 12.015 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.595 5.169 13.270 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.785 3.649 12.942 1.00 0.00 H new ATOM 0 HE ARG A 87 5.628 4.058 10.829 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.628 3.580 14.326 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.214 2.801 14.336 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.664 3.056 10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.362 2.505 12.375 1.00 0.00 H new ATOM 1332 N VAL A 88 1.334 3.883 7.412 1.00 0.00 N ATOM 1333 CA VAL A 88 0.837 2.931 6.426 1.00 0.00 C ATOM 1334 C VAL A 88 1.982 2.321 5.626 1.00 0.00 C ATOM 1335 O VAL A 88 2.917 3.017 5.230 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.156 3.596 5.455 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.536 4.679 4.642 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.788 2.554 4.544 1.00 0.00 C ATOM 0 H VAL A 88 1.853 4.667 7.017 1.00 0.00 H new ATOM 0 HA VAL A 88 0.323 2.144 6.977 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.949 4.065 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.181 5.138 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.936 5.439 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.350 4.238 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.487 3.041 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.009 2.055 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.321 1.819 5.147 1.00 0.00 H new ATOM 1348 N ARG A 89 1.902 1.015 5.390 1.00 0.00 N ATOM 1349 CA ARG A 89 2.932 0.310 4.637 1.00 0.00 C ATOM 1350 C ARG A 89 2.311 -0.563 3.551 1.00 0.00 C ATOM 1351 O ARG A 89 1.618 -1.538 3.844 1.00 0.00 O ATOM 1352 CB ARG A 89 3.781 -0.551 5.575 1.00 0.00 C ATOM 1353 CG ARG A 89 4.709 -1.510 4.848 1.00 0.00 C ATOM 1354 CD ARG A 89 4.944 -2.777 5.655 1.00 0.00 C ATOM 1355 NE ARG A 89 3.981 -3.824 5.324 1.00 0.00 N ATOM 1356 CZ ARG A 89 4.070 -5.072 5.770 1.00 0.00 C ATOM 1357 NH1 ARG A 89 5.072 -5.427 6.562 1.00 0.00 N ATOM 1358 NH2 ARG A 89 3.154 -5.968 5.424 1.00 0.00 N ATOM 0 H ARG A 89 1.134 0.424 5.710 1.00 0.00 H new ATOM 0 HA ARG A 89 3.570 1.054 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.375 0.101 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.121 -1.122 6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.281 -1.768 3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.662 -1.019 4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.954 -3.142 5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.878 -2.547 6.718 1.00 0.00 H new ATOM 0 HE ARG A 89 3.197 -3.584 4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.777 -4.741 6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.138 -6.386 6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.381 -5.698 4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.223 -6.926 5.767 1.00 0.00 H new ATOM 1372 N LEU A 90 2.561 -0.205 2.296 1.00 0.00 N ATOM 1373 CA LEU A 90 2.026 -0.955 1.165 1.00 0.00 C ATOM 1374 C LEU A 90 3.147 -1.430 0.247 1.00 0.00 C ATOM 1375 O LEU A 90 4.218 -0.825 0.193 1.00 0.00 O ATOM 1376 CB LEU A 90 1.037 -0.093 0.378 1.00 0.00 C ATOM 1377 CG LEU A 90 1.254 1.418 0.457 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.890 2.079 -0.864 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.442 2.016 1.596 1.00 0.00 C ATOM 0 H LEU A 90 3.131 0.600 2.036 1.00 0.00 H new ATOM 0 HA LEU A 90 1.506 -1.830 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.079 -0.392 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.030 -0.314 0.733 1.00 0.00 H new ATOM 0 HG LEU A 90 2.310 1.604 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.051 3.154 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.516 1.673 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.158 1.884 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.610 3.092 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.617 1.820 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.751 1.565 2.539 1.00 0.00 H new ATOM 1391 N LEU A 91 2.893 -2.516 -0.475 1.00 0.00 N ATOM 1392 CA LEU A 91 3.881 -3.072 -1.394 1.00 0.00 C ATOM 1393 C LEU A 91 3.716 -2.483 -2.791 1.00 0.00 C ATOM 1394 O LEU A 91 2.742 -2.772 -3.488 1.00 0.00 O ATOM 1395 CB LEU A 91 3.752 -4.595 -1.451 1.00 0.00 C ATOM 1396 CG LEU A 91 5.006 -5.359 -1.879 1.00 0.00 C ATOM 1397 CD1 LEU A 91 4.752 -6.858 -1.855 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.454 -4.915 -3.264 1.00 0.00 C ATOM 0 H LEU A 91 2.012 -3.029 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 91 4.873 -2.811 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.452 -4.951 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.945 -4.846 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 91 5.804 -5.135 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.655 -7.385 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.479 -7.165 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.940 -7.100 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.347 -5.469 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.659 -5.109 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.677 -3.848 -3.250 1.00 0.00 H new ATOM 1410 N LEU A 92 4.675 -1.659 -3.197 1.00 0.00 N ATOM 1411 CA LEU A 92 4.638 -1.031 -4.513 1.00 0.00 C ATOM 1412 C LEU A 92 5.840 -1.453 -5.352 1.00 0.00 C ATOM 1413 O LEU A 92 6.874 -1.856 -4.818 1.00 0.00 O ATOM 1414 CB LEU A 92 4.610 0.492 -4.373 1.00 0.00 C ATOM 1415 CG LEU A 92 4.216 1.275 -5.626 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.703 1.317 -5.775 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.789 2.684 -5.577 1.00 0.00 C ATOM 0 H LEU A 92 5.488 -1.410 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 92 3.731 -1.360 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.915 0.750 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.598 0.826 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 92 4.632 0.766 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.441 1.878 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.317 0.301 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.265 1.802 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.498 3.226 -6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.403 3.203 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.876 2.633 -5.519 1.00 0.00 H new