USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 660 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 22 CYS SG : rot 19:sc= -4.7! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -6.42! C(o=-11!,f=-19!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 3 MET CE :methyl -104:sc=-0.00117 (180deg=-0.0579) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -150:sc= 0.77 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.62 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 41 THR OG1 : rot -121:sc= -0.46 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.21! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.45) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.59 K(o=-1.6,f=-3.3!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 101:sc= 1.19 USER MOD Single : A 89 SER OG : rot 3:sc= 0.301! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.782 -11.870 -14.025 1.00 0.00 N ATOM 2 CA GLY A 1 -7.907 -11.922 -15.231 1.00 0.00 C ATOM 3 C GLY A 1 -6.594 -12.612 -14.879 1.00 0.00 C ATOM 4 O GLY A 1 -5.656 -11.973 -14.402 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.677 -11.399 -14.266 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.977 -12.837 -13.696 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.303 -11.337 -13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.409 -12.461 -16.034 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.713 -10.913 -15.596 1.00 0.00 H new ATOM 10 N HIS A 2 -6.534 -13.917 -15.118 1.00 0.00 N ATOM 11 CA HIS A 2 -5.327 -14.681 -14.822 1.00 0.00 C ATOM 12 C HIS A 2 -4.803 -14.342 -13.431 1.00 0.00 C ATOM 13 O HIS A 2 -3.649 -14.619 -13.107 1.00 0.00 O ATOM 14 CB HIS A 2 -4.247 -14.376 -15.862 1.00 0.00 C ATOM 15 CG HIS A 2 -4.679 -14.906 -17.203 1.00 0.00 C ATOM 16 ND1 HIS A 2 -5.403 -14.139 -18.103 1.00 0.00 N ATOM 17 CD2 HIS A 2 -4.496 -16.123 -17.811 1.00 0.00 C ATOM 18 CE1 HIS A 2 -5.627 -14.896 -19.191 1.00 0.00 C ATOM 19 NE2 HIS A 2 -5.096 -16.116 -19.066 1.00 0.00 N ATOM 0 H HIS A 2 -7.299 -14.464 -15.512 1.00 0.00 H new ATOM 0 HA HIS A 2 -5.576 -15.742 -14.855 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -4.077 -13.301 -15.921 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -3.302 -14.832 -15.566 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -3.966 -16.960 -17.380 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -6.171 -14.559 -20.061 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -5.125 -16.877 -19.744 1.00 0.00 H new ATOM 28 N MET A 3 -5.660 -13.740 -12.611 1.00 0.00 N ATOM 29 CA MET A 3 -5.274 -13.369 -11.254 1.00 0.00 C ATOM 30 C MET A 3 -4.021 -12.502 -11.276 1.00 0.00 C ATOM 31 O MET A 3 -3.000 -12.854 -10.684 1.00 0.00 O ATOM 32 CB MET A 3 -5.010 -14.630 -10.428 1.00 0.00 C ATOM 33 CG MET A 3 -6.295 -15.458 -10.328 1.00 0.00 C ATOM 34 SD MET A 3 -7.545 -14.553 -9.375 1.00 0.00 S ATOM 35 CE MET A 3 -6.958 -15.001 -7.720 1.00 0.00 C ATOM 0 H MET A 3 -6.620 -13.500 -12.860 1.00 0.00 H new ATOM 0 HA MET A 3 -6.088 -12.801 -10.803 1.00 0.00 H new ATOM 0 HB2 MET A 3 -4.220 -15.221 -10.891 1.00 0.00 H new ATOM 0 HB3 MET A 3 -4.662 -14.358 -9.431 1.00 0.00 H new ATOM 0 HG2 MET A 3 -6.675 -15.677 -11.326 1.00 0.00 H new ATOM 0 HG3 MET A 3 -6.084 -16.415 -9.850 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.613 -15.762 -7.295 1.00 0.00 H new ATOM 0 HE2 MET A 3 -5.943 -15.392 -7.788 1.00 0.00 H new ATOM 0 HE3 MET A 3 -6.965 -14.118 -7.080 1.00 0.00 H new ATOM 45 N SER A 4 -4.105 -11.368 -11.962 1.00 0.00 N ATOM 46 CA SER A 4 -2.968 -10.460 -12.057 1.00 0.00 C ATOM 47 C SER A 4 -1.747 -11.193 -12.598 1.00 0.00 C ATOM 48 O SER A 4 -1.737 -12.421 -12.686 1.00 0.00 O ATOM 49 CB SER A 4 -2.650 -9.876 -10.679 1.00 0.00 C ATOM 50 OG SER A 4 -3.866 -9.558 -10.013 1.00 0.00 O ATOM 0 H SER A 4 -4.941 -11.057 -12.457 1.00 0.00 H new ATOM 0 HA SER A 4 -3.225 -9.651 -12.741 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.076 -10.592 -10.091 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.034 -8.983 -10.783 1.00 0.00 H new ATOM 0 HG SER A 4 -3.667 -9.185 -9.129 1.00 0.00 H new ATOM 56 N ASP A 5 -0.714 -10.433 -12.960 1.00 0.00 N ATOM 57 CA ASP A 5 0.521 -11.014 -13.493 1.00 0.00 C ATOM 58 C ASP A 5 1.633 -10.931 -12.460 1.00 0.00 C ATOM 59 O ASP A 5 2.777 -11.299 -12.730 1.00 0.00 O ATOM 60 CB ASP A 5 0.939 -10.265 -14.758 1.00 0.00 C ATOM 61 CG ASP A 5 -0.057 -10.554 -15.875 1.00 0.00 C ATOM 62 OD1 ASP A 5 -0.812 -11.502 -15.737 1.00 0.00 O ATOM 63 OD2 ASP A 5 -0.049 -9.825 -16.853 1.00 0.00 O ATOM 0 H ASP A 5 -0.706 -9.415 -12.895 1.00 0.00 H new ATOM 0 HA ASP A 5 0.340 -12.062 -13.733 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.980 -9.194 -14.562 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.940 -10.572 -15.061 1.00 0.00 H new ATOM 68 N LEU A 6 1.297 -10.430 -11.280 1.00 0.00 N ATOM 69 CA LEU A 6 2.288 -10.289 -10.221 1.00 0.00 C ATOM 70 C LEU A 6 2.731 -11.644 -9.696 1.00 0.00 C ATOM 71 O LEU A 6 3.630 -11.713 -8.861 1.00 0.00 O ATOM 72 CB LEU A 6 1.727 -9.464 -9.060 1.00 0.00 C ATOM 73 CG LEU A 6 2.866 -9.062 -8.072 1.00 0.00 C ATOM 74 CD1 LEU A 6 2.818 -7.557 -7.802 1.00 0.00 C ATOM 75 CD2 LEU A 6 2.680 -9.818 -6.749 1.00 0.00 C ATOM 0 H LEU A 6 0.358 -10.118 -11.033 1.00 0.00 H new ATOM 0 HA LEU A 6 3.148 -9.776 -10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.239 -8.569 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.966 -10.039 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 6 3.829 -9.317 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.616 -7.286 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.948 -7.015 -8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.855 -7.297 -7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.474 -9.540 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.714 -9.561 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.720 -10.891 -6.935 1.00 0.00 H new ATOM 87 N SER A 7 2.082 -12.710 -10.178 1.00 0.00 N ATOM 88 CA SER A 7 2.386 -14.071 -9.762 1.00 0.00 C ATOM 89 C SER A 7 1.507 -14.442 -8.582 1.00 0.00 C ATOM 90 O SER A 7 1.596 -13.821 -7.525 1.00 0.00 O ATOM 91 CB SER A 7 3.869 -14.215 -9.390 1.00 0.00 C ATOM 92 OG SER A 7 4.275 -15.564 -9.564 1.00 0.00 O ATOM 0 H SER A 7 1.333 -12.646 -10.867 1.00 0.00 H new ATOM 0 HA SER A 7 2.185 -14.747 -10.593 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.476 -13.559 -10.014 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.026 -13.908 -8.356 1.00 0.00 H new ATOM 0 HG SER A 7 5.222 -15.654 -9.328 1.00 0.00 H new ATOM 98 N THR A 8 0.661 -15.450 -8.765 1.00 0.00 N ATOM 99 CA THR A 8 -0.227 -15.890 -7.695 1.00 0.00 C ATOM 100 C THR A 8 0.579 -16.467 -6.536 1.00 0.00 C ATOM 101 O THR A 8 0.108 -17.349 -5.817 1.00 0.00 O ATOM 102 CB THR A 8 -1.209 -16.948 -8.223 1.00 0.00 C ATOM 103 OG1 THR A 8 -1.585 -16.619 -9.550 1.00 0.00 O ATOM 104 CG2 THR A 8 -2.457 -16.996 -7.332 1.00 0.00 C ATOM 0 H THR A 8 0.571 -15.974 -9.636 1.00 0.00 H new ATOM 0 HA THR A 8 -0.789 -15.027 -7.337 1.00 0.00 H new ATOM 0 HB THR A 8 -0.726 -17.925 -8.210 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.210 -17.293 -9.890 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.148 -17.748 -7.713 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.167 -17.253 -6.313 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.944 -16.021 -7.336 1.00 0.00 H new ATOM 112 N ALA A 9 1.800 -15.966 -6.357 1.00 0.00 N ATOM 113 CA ALA A 9 2.663 -16.435 -5.284 1.00 0.00 C ATOM 114 C ALA A 9 3.469 -15.280 -4.686 1.00 0.00 C ATOM 115 O ALA A 9 4.697 -15.353 -4.592 1.00 0.00 O ATOM 116 CB ALA A 9 3.601 -17.492 -5.844 1.00 0.00 C ATOM 0 H ALA A 9 2.210 -15.237 -6.942 1.00 0.00 H new ATOM 0 HA ALA A 9 2.051 -16.860 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.256 -17.854 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.018 -18.323 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.203 -17.058 -6.642 1.00 0.00 H new ATOM 122 N PRO A 10 2.806 -14.228 -4.265 1.00 0.00 N ATOM 123 CA PRO A 10 3.474 -13.050 -3.647 1.00 0.00 C ATOM 124 C PRO A 10 3.810 -13.319 -2.180 1.00 0.00 C ATOM 125 O PRO A 10 3.069 -14.013 -1.487 1.00 0.00 O ATOM 126 CB PRO A 10 2.432 -11.931 -3.803 1.00 0.00 C ATOM 127 CG PRO A 10 1.103 -12.623 -3.797 1.00 0.00 C ATOM 128 CD PRO A 10 1.341 -14.051 -4.320 1.00 0.00 C ATOM 0 HA PRO A 10 4.427 -12.799 -4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.504 -11.211 -2.988 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.584 -11.379 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.683 -12.645 -2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.389 -12.094 -4.429 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.829 -14.790 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.965 -14.169 -5.336 1.00 0.00 H new ATOM 136 N THR A 11 4.924 -12.762 -1.708 1.00 0.00 N ATOM 137 CA THR A 11 5.345 -12.943 -0.317 1.00 0.00 C ATOM 138 C THR A 11 5.157 -11.638 0.441 1.00 0.00 C ATOM 139 O THR A 11 5.292 -10.567 -0.136 1.00 0.00 O ATOM 140 CB THR A 11 6.811 -13.351 -0.263 1.00 0.00 C ATOM 141 OG1 THR A 11 7.044 -14.392 -1.203 1.00 0.00 O ATOM 142 CG2 THR A 11 7.148 -13.844 1.142 1.00 0.00 C ATOM 0 H THR A 11 5.551 -12.182 -2.266 1.00 0.00 H new ATOM 0 HA THR A 11 4.740 -13.726 0.139 1.00 0.00 H new ATOM 0 HB THR A 11 7.440 -12.495 -0.506 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.987 -14.656 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.197 -14.137 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.966 -13.046 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.522 -14.702 1.386 1.00 0.00 H new ATOM 150 N LEU A 12 4.851 -11.741 1.729 1.00 0.00 N ATOM 151 CA LEU A 12 4.626 -10.561 2.564 1.00 0.00 C ATOM 152 C LEU A 12 5.663 -9.482 2.262 1.00 0.00 C ATOM 153 O LEU A 12 5.390 -8.282 2.389 1.00 0.00 O ATOM 154 CB LEU A 12 4.703 -10.951 4.044 1.00 0.00 C ATOM 155 CG LEU A 12 3.425 -11.699 4.455 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.420 -13.108 3.840 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.368 -11.808 5.981 1.00 0.00 C ATOM 0 H LEU A 12 4.752 -12.629 2.221 1.00 0.00 H new ATOM 0 HA LEU A 12 3.635 -10.164 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.575 -11.581 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.826 -10.059 4.658 1.00 0.00 H new ATOM 0 HG LEU A 12 2.556 -11.149 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.511 -13.631 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.456 -13.031 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.289 -13.662 4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.462 -12.338 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.240 -12.354 6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.361 -10.809 6.417 1.00 0.00 H new ATOM 169 N ASP A 13 6.845 -9.919 1.861 1.00 0.00 N ATOM 170 CA ASP A 13 7.914 -8.991 1.539 1.00 0.00 C ATOM 171 C ASP A 13 7.665 -8.317 0.200 1.00 0.00 C ATOM 172 O ASP A 13 8.025 -7.164 0.019 1.00 0.00 O ATOM 173 CB ASP A 13 9.258 -9.706 1.489 1.00 0.00 C ATOM 174 CG ASP A 13 9.361 -10.688 2.655 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.734 -10.436 3.671 1.00 0.00 O ATOM 176 OD2 ASP A 13 10.051 -11.683 2.509 1.00 0.00 O ATOM 0 H ASP A 13 7.087 -10.904 1.751 1.00 0.00 H new ATOM 0 HA ASP A 13 7.934 -8.236 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.364 -10.237 0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.069 -8.980 1.539 1.00 0.00 H new ATOM 181 N SER A 14 7.051 -9.039 -0.739 1.00 0.00 N ATOM 182 CA SER A 14 6.773 -8.478 -2.057 1.00 0.00 C ATOM 183 C SER A 14 5.762 -7.336 -1.943 1.00 0.00 C ATOM 184 O SER A 14 5.855 -6.316 -2.642 1.00 0.00 O ATOM 185 CB SER A 14 6.221 -9.569 -2.959 1.00 0.00 C ATOM 186 OG SER A 14 6.822 -10.817 -2.619 1.00 0.00 O ATOM 0 H SER A 14 6.741 -10.002 -0.612 1.00 0.00 H new ATOM 0 HA SER A 14 7.696 -8.084 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.138 -9.633 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.422 -9.329 -4.003 1.00 0.00 H new ATOM 0 HG SER A 14 6.869 -11.385 -3.416 1.00 0.00 H new ATOM 192 N LEU A 15 4.771 -7.510 -1.086 1.00 0.00 N ATOM 193 CA LEU A 15 3.775 -6.477 -0.925 1.00 0.00 C ATOM 194 C LEU A 15 4.355 -5.349 -0.101 1.00 0.00 C ATOM 195 O LEU A 15 4.517 -4.233 -0.587 1.00 0.00 O ATOM 196 CB LEU A 15 2.525 -7.025 -0.246 1.00 0.00 C ATOM 197 CG LEU A 15 2.039 -8.308 -0.962 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.159 -8.183 -2.498 1.00 0.00 C ATOM 199 CD2 LEU A 15 2.840 -9.535 -0.467 1.00 0.00 C ATOM 0 H LEU A 15 4.639 -8.338 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 15 3.491 -6.108 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.738 -7.244 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.737 -6.273 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 15 0.985 -8.443 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.809 -9.103 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.552 -7.346 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.201 -8.012 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.487 -10.430 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.899 -9.388 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.699 -9.652 0.607 1.00 0.00 H new ATOM 211 N ARG A 16 4.662 -5.637 1.146 1.00 0.00 N ATOM 212 CA ARG A 16 5.207 -4.614 2.025 1.00 0.00 C ATOM 213 C ARG A 16 6.126 -3.669 1.244 1.00 0.00 C ATOM 214 O ARG A 16 5.960 -2.443 1.299 1.00 0.00 O ATOM 215 CB ARG A 16 5.993 -5.285 3.137 1.00 0.00 C ATOM 216 CG ARG A 16 6.670 -4.226 4.043 1.00 0.00 C ATOM 217 CD ARG A 16 8.134 -3.982 3.627 1.00 0.00 C ATOM 218 NE ARG A 16 8.852 -3.348 4.720 1.00 0.00 N ATOM 219 CZ ARG A 16 8.811 -2.035 4.896 1.00 0.00 C ATOM 220 NH1 ARG A 16 8.100 -1.290 4.095 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.480 -1.497 5.874 1.00 0.00 N ATOM 0 H ARG A 16 4.547 -6.556 1.573 1.00 0.00 H new ATOM 0 HA ARG A 16 4.388 -4.031 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.328 -5.910 3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.750 -5.942 2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.114 -3.290 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.636 -4.558 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.610 -4.927 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.170 -3.350 2.740 1.00 0.00 H new ATOM 0 HE ARG A 16 9.397 -3.923 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.575 -1.718 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.069 -0.280 4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.031 -2.085 6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.453 -0.487 6.015 1.00 0.00 H new ATOM 235 N VAL A 17 7.071 -4.245 0.495 1.00 0.00 N ATOM 236 CA VAL A 17 7.991 -3.444 -0.314 1.00 0.00 C ATOM 237 C VAL A 17 7.214 -2.638 -1.355 1.00 0.00 C ATOM 238 O VAL A 17 7.531 -1.480 -1.612 1.00 0.00 O ATOM 239 CB VAL A 17 8.991 -4.369 -1.025 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.779 -5.194 0.017 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.209 -5.307 -1.937 1.00 0.00 C ATOM 0 H VAL A 17 7.218 -5.252 0.433 1.00 0.00 H new ATOM 0 HA VAL A 17 8.528 -2.756 0.339 1.00 0.00 H new ATOM 0 HB VAL A 17 9.698 -3.777 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.486 -5.847 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.322 -4.520 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.086 -5.798 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.900 -5.974 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.513 -5.897 -1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.654 -4.722 -2.671 1.00 0.00 H new ATOM 251 N TRP A 18 6.194 -3.249 -1.956 1.00 0.00 N ATOM 252 CA TRP A 18 5.397 -2.542 -2.957 1.00 0.00 C ATOM 253 C TRP A 18 4.752 -1.285 -2.356 1.00 0.00 C ATOM 254 O TRP A 18 4.839 -0.198 -2.920 1.00 0.00 O ATOM 255 CB TRP A 18 4.298 -3.492 -3.508 1.00 0.00 C ATOM 256 CG TRP A 18 2.919 -3.020 -3.102 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.203 -3.459 -2.027 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.093 -2.001 -3.725 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.020 -2.780 -1.966 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.905 -1.874 -2.973 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.251 -1.174 -4.847 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.083 -0.989 -3.316 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.243 -0.269 -5.196 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.082 -0.178 -4.419 1.00 0.00 C ATOM 0 H TRP A 18 5.904 -4.210 -1.773 1.00 0.00 H new ATOM 0 HA TRP A 18 6.053 -2.231 -3.770 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.365 -3.539 -4.595 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.465 -4.502 -3.134 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.522 -4.223 -1.334 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.309 -2.934 -1.251 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.151 -1.236 -5.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.986 -0.927 -2.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.361 0.360 -6.066 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.688 0.531 -4.685 1.00 0.00 H new ATOM 275 N LEU A 19 4.088 -1.455 -1.222 1.00 0.00 N ATOM 276 CA LEU A 19 3.404 -0.343 -0.575 1.00 0.00 C ATOM 277 C LEU A 19 4.364 0.804 -0.317 1.00 0.00 C ATOM 278 O LEU A 19 4.174 1.910 -0.820 1.00 0.00 O ATOM 279 CB LEU A 19 2.797 -0.828 0.757 1.00 0.00 C ATOM 280 CG LEU A 19 1.255 -1.014 0.647 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.826 -2.289 1.367 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.531 0.200 1.256 1.00 0.00 C ATOM 0 H LEU A 19 4.008 -2.346 -0.733 1.00 0.00 H new ATOM 0 HA LEU A 19 2.613 0.017 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.259 -1.772 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.023 -0.109 1.544 1.00 0.00 H new ATOM 0 HG LEU A 19 0.987 -1.096 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.254 -2.408 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.322 -3.147 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.103 -2.224 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.547 0.060 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.805 0.298 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.821 1.103 0.720 1.00 0.00 H new ATOM 294 N VAL A 20 5.396 0.545 0.464 1.00 0.00 N ATOM 295 CA VAL A 20 6.351 1.591 0.771 1.00 0.00 C ATOM 296 C VAL A 20 6.986 2.116 -0.508 1.00 0.00 C ATOM 297 O VAL A 20 7.062 3.328 -0.720 1.00 0.00 O ATOM 298 CB VAL A 20 7.427 1.035 1.703 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.117 -0.160 1.040 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.456 2.122 1.998 1.00 0.00 C ATOM 0 H VAL A 20 5.592 -0.361 0.889 1.00 0.00 H new ATOM 0 HA VAL A 20 5.836 2.416 1.264 1.00 0.00 H new ATOM 0 HB VAL A 20 6.965 0.710 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.884 -0.554 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.381 -0.937 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.579 0.159 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.224 1.726 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.917 2.449 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.964 2.969 2.476 1.00 0.00 H new ATOM 310 N ASP A 21 7.450 1.207 -1.353 1.00 0.00 N ATOM 311 CA ASP A 21 8.091 1.607 -2.598 1.00 0.00 C ATOM 312 C ASP A 21 7.125 2.406 -3.464 1.00 0.00 C ATOM 313 O ASP A 21 7.519 3.356 -4.142 1.00 0.00 O ATOM 314 CB ASP A 21 8.558 0.367 -3.361 1.00 0.00 C ATOM 315 CG ASP A 21 9.245 0.774 -4.659 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.242 1.955 -4.964 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.765 -0.103 -5.330 1.00 0.00 O ATOM 0 H ASP A 21 7.396 0.200 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 21 8.950 2.234 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.245 -0.211 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.706 -0.277 -3.579 1.00 0.00 H new ATOM 322 N CYS A 22 5.857 2.014 -3.435 1.00 0.00 N ATOM 323 CA CYS A 22 4.843 2.702 -4.224 1.00 0.00 C ATOM 324 C CYS A 22 4.759 4.166 -3.822 1.00 0.00 C ATOM 325 O CYS A 22 4.788 5.054 -4.672 1.00 0.00 O ATOM 326 CB CYS A 22 3.479 2.041 -4.019 1.00 0.00 C ATOM 327 SG CYS A 22 2.215 2.947 -4.941 1.00 0.00 S ATOM 0 H CYS A 22 5.509 1.232 -2.880 1.00 0.00 H new ATOM 0 HA CYS A 22 5.124 2.636 -5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.513 1.004 -4.354 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.228 2.026 -2.958 1.00 0.00 H new ATOM 0 HG CYS A 22 2.784 3.679 -5.852 1.00 0.00 H new ATOM 333 N VAL A 23 4.655 4.417 -2.523 1.00 0.00 N ATOM 334 CA VAL A 23 4.569 5.792 -2.042 1.00 0.00 C ATOM 335 C VAL A 23 5.841 6.553 -2.415 1.00 0.00 C ATOM 336 O VAL A 23 5.771 7.680 -2.902 1.00 0.00 O ATOM 337 CB VAL A 23 4.393 5.806 -0.526 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.248 7.252 0.012 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.152 4.993 -0.136 1.00 0.00 C ATOM 0 H VAL A 23 4.628 3.703 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 23 3.709 6.274 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 23 5.284 5.360 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.124 7.227 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.141 7.824 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.376 7.723 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.033 5.008 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.269 5.429 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.270 3.964 -0.474 1.00 0.00 H new ATOM 349 N ALA A 24 6.998 5.942 -2.171 1.00 0.00 N ATOM 350 CA ALA A 24 8.267 6.594 -2.478 1.00 0.00 C ATOM 351 C ALA A 24 8.255 7.121 -3.904 1.00 0.00 C ATOM 352 O ALA A 24 8.590 8.275 -4.148 1.00 0.00 O ATOM 353 CB ALA A 24 9.417 5.601 -2.303 1.00 0.00 C ATOM 0 H ALA A 24 7.083 5.009 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 24 8.407 7.431 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.361 6.094 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.436 5.244 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.274 4.756 -2.977 1.00 0.00 H new ATOM 359 N GLY A 25 7.875 6.264 -4.839 1.00 0.00 N ATOM 360 CA GLY A 25 7.830 6.663 -6.240 1.00 0.00 C ATOM 361 C GLY A 25 6.814 7.780 -6.453 1.00 0.00 C ATOM 362 O GLY A 25 7.083 8.747 -7.167 1.00 0.00 O ATOM 0 H GLY A 25 7.596 5.300 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.817 6.997 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.569 5.805 -6.859 1.00 0.00 H new ATOM 366 N HIS A 26 5.644 7.640 -5.838 1.00 0.00 N ATOM 367 CA HIS A 26 4.598 8.646 -5.984 1.00 0.00 C ATOM 368 C HIS A 26 5.107 10.026 -5.582 1.00 0.00 C ATOM 369 O HIS A 26 5.014 10.974 -6.361 1.00 0.00 O ATOM 370 CB HIS A 26 3.398 8.279 -5.102 1.00 0.00 C ATOM 371 CG HIS A 26 2.619 7.162 -5.735 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.104 7.260 -7.015 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.250 5.925 -5.275 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.461 6.111 -7.282 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.520 5.262 -6.254 1.00 0.00 N ATOM 0 H HIS A 26 5.398 6.850 -5.241 1.00 0.00 H new ATOM 0 HA HIS A 26 4.298 8.673 -7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.742 7.978 -4.112 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.756 9.150 -4.966 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.490 5.526 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.958 5.900 -8.214 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.116 4.327 -6.199 1.00 0.00 H new ATOM 384 N LEU A 27 5.649 10.146 -4.371 1.00 0.00 N ATOM 385 CA LEU A 27 6.161 11.432 -3.911 1.00 0.00 C ATOM 386 C LEU A 27 7.562 11.691 -4.459 1.00 0.00 C ATOM 387 O LEU A 27 7.929 12.828 -4.750 1.00 0.00 O ATOM 388 CB LEU A 27 6.192 11.443 -2.384 1.00 0.00 C ATOM 389 CG LEU A 27 4.801 11.077 -1.843 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.841 11.045 -0.312 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.764 12.114 -2.314 1.00 0.00 C ATOM 0 H LEU A 27 5.743 9.382 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 27 5.504 12.221 -4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.935 10.733 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.488 12.428 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 27 4.516 10.095 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.855 10.785 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.566 10.301 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.131 12.026 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.781 11.847 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.044 13.101 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.733 12.128 -3.403 1.00 0.00 H new ATOM 403 N GLY A 28 8.339 10.619 -4.589 1.00 0.00 N ATOM 404 CA GLY A 28 9.711 10.707 -5.092 1.00 0.00 C ATOM 405 C GLY A 28 10.721 10.737 -3.944 1.00 0.00 C ATOM 406 O GLY A 28 11.931 10.747 -4.172 1.00 0.00 O ATOM 0 H GLY A 28 8.041 9.673 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.919 9.856 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.821 11.605 -5.700 1.00 0.00 H new ATOM 410 N LEU A 29 10.224 10.763 -2.709 1.00 0.00 N ATOM 411 CA LEU A 29 11.096 10.805 -1.540 1.00 0.00 C ATOM 412 C LEU A 29 11.808 9.468 -1.368 1.00 0.00 C ATOM 413 O LEU A 29 11.652 8.562 -2.185 1.00 0.00 O ATOM 414 CB LEU A 29 10.279 11.121 -0.282 1.00 0.00 C ATOM 415 CG LEU A 29 9.421 12.367 -0.521 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.594 12.663 0.735 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.320 13.572 -0.845 1.00 0.00 C ATOM 0 H LEU A 29 9.227 10.756 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 29 11.839 11.589 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.643 10.273 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.946 11.284 0.565 1.00 0.00 H new ATOM 0 HG LEU A 29 8.754 12.187 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.982 13.550 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.948 11.813 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.263 12.838 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.701 14.453 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.995 13.757 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.902 13.361 -1.742 1.00 0.00 H new ATOM 429 N ASP A 30 12.588 9.356 -0.302 1.00 0.00 N ATOM 430 CA ASP A 30 13.322 8.125 -0.029 1.00 0.00 C ATOM 431 C ASP A 30 12.413 7.080 0.612 1.00 0.00 C ATOM 432 O ASP A 30 11.764 7.342 1.626 1.00 0.00 O ATOM 433 CB ASP A 30 14.505 8.411 0.896 1.00 0.00 C ATOM 434 CG ASP A 30 15.180 7.106 1.305 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.859 6.084 0.718 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.007 7.146 2.200 1.00 0.00 O ATOM 0 H ASP A 30 12.730 10.097 0.385 1.00 0.00 H new ATOM 0 HA ASP A 30 13.690 7.733 -0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.223 9.058 0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.162 8.945 1.782 1.00 0.00 H new ATOM 441 N ALA A 31 12.380 5.894 0.013 1.00 0.00 N ATOM 442 CA ALA A 31 11.554 4.806 0.525 1.00 0.00 C ATOM 443 C ALA A 31 11.959 4.423 1.941 1.00 0.00 C ATOM 444 O ALA A 31 11.104 4.101 2.774 1.00 0.00 O ATOM 445 CB ALA A 31 11.672 3.583 -0.382 1.00 0.00 C ATOM 0 H ALA A 31 12.914 5.662 -0.825 1.00 0.00 H new ATOM 0 HA ALA A 31 10.521 5.154 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.051 2.778 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.338 3.842 -1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.711 3.255 -0.418 1.00 0.00 H new ATOM 451 N ALA A 32 13.256 4.482 2.222 1.00 0.00 N ATOM 452 CA ALA A 32 13.759 4.132 3.543 1.00 0.00 C ATOM 453 C ALA A 32 13.234 5.079 4.608 1.00 0.00 C ATOM 454 O ALA A 32 13.330 4.795 5.801 1.00 0.00 O ATOM 455 CB ALA A 32 15.285 4.168 3.533 1.00 0.00 C ATOM 0 H ALA A 32 13.974 4.767 1.556 1.00 0.00 H new ATOM 0 HA ALA A 32 13.410 3.128 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.662 3.906 4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.661 3.454 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.624 5.170 3.270 1.00 0.00 H new ATOM 461 N THR A 33 12.684 6.211 4.183 1.00 0.00 N ATOM 462 CA THR A 33 12.152 7.191 5.126 1.00 0.00 C ATOM 463 C THR A 33 10.801 7.700 4.662 1.00 0.00 C ATOM 464 O THR A 33 10.488 8.883 4.790 1.00 0.00 O ATOM 465 CB THR A 33 13.142 8.353 5.282 1.00 0.00 C ATOM 466 OG1 THR A 33 13.746 8.621 4.029 1.00 0.00 O ATOM 467 CG2 THR A 33 14.228 7.972 6.296 1.00 0.00 C ATOM 0 H THR A 33 12.595 6.472 3.201 1.00 0.00 H new ATOM 0 HA THR A 33 12.017 6.710 6.095 1.00 0.00 H new ATOM 0 HB THR A 33 12.612 9.238 5.634 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.378 9.364 4.123 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.930 8.799 6.405 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.767 7.758 7.260 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.760 7.088 5.944 1.00 0.00 H new ATOM 475 N ILE A 34 9.985 6.803 4.129 1.00 0.00 N ATOM 476 CA ILE A 34 8.661 7.223 3.677 1.00 0.00 C ATOM 477 C ILE A 34 7.722 7.406 4.862 1.00 0.00 C ATOM 478 O ILE A 34 7.387 8.528 5.239 1.00 0.00 O ATOM 479 CB ILE A 34 8.093 6.183 2.677 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.483 6.594 1.251 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.561 6.048 2.752 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.640 7.781 0.760 1.00 0.00 C ATOM 0 H ILE A 34 10.201 5.815 4.000 1.00 0.00 H new ATOM 0 HA ILE A 34 8.749 8.184 3.170 1.00 0.00 H new ATOM 0 HB ILE A 34 8.519 5.216 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.540 6.860 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.350 5.748 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.225 5.305 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.272 5.734 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.100 7.009 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.941 8.047 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.586 7.505 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.794 8.634 1.420 1.00 0.00 H new ATOM 494 N ALA A 35 7.280 6.294 5.410 1.00 0.00 N ATOM 495 CA ALA A 35 6.345 6.322 6.512 1.00 0.00 C ATOM 496 C ALA A 35 5.903 4.909 6.857 1.00 0.00 C ATOM 497 O ALA A 35 4.821 4.719 7.395 1.00 0.00 O ATOM 498 CB ALA A 35 5.117 7.179 6.137 1.00 0.00 C ATOM 0 H ALA A 35 7.554 5.359 5.109 1.00 0.00 H new ATOM 0 HA ALA A 35 6.835 6.761 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.416 7.196 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.438 8.196 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.628 6.751 5.262 1.00 0.00 H new ATOM 504 N THR A 36 6.707 3.905 6.505 1.00 0.00 N ATOM 505 CA THR A 36 6.345 2.517 6.778 1.00 0.00 C ATOM 506 C THR A 36 5.663 2.383 8.135 1.00 0.00 C ATOM 507 O THR A 36 4.655 1.689 8.263 1.00 0.00 O ATOM 508 CB THR A 36 7.615 1.667 6.784 1.00 0.00 C ATOM 509 OG1 THR A 36 8.400 2.032 7.911 1.00 0.00 O ATOM 510 CG2 THR A 36 8.412 1.919 5.504 1.00 0.00 C ATOM 0 H THR A 36 7.604 4.026 6.035 1.00 0.00 H new ATOM 0 HA THR A 36 5.654 2.182 6.005 1.00 0.00 H new ATOM 0 HB THR A 36 7.353 0.610 6.836 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.218 1.493 7.928 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.317 1.311 5.513 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.805 1.653 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.684 2.973 5.446 1.00 0.00 H new ATOM 518 N ASP A 37 6.207 3.052 9.148 1.00 0.00 N ATOM 519 CA ASP A 37 5.633 2.999 10.494 1.00 0.00 C ATOM 520 C ASP A 37 4.801 4.242 10.766 1.00 0.00 C ATOM 521 O ASP A 37 4.589 4.620 11.916 1.00 0.00 O ATOM 522 CB ASP A 37 6.761 2.919 11.519 1.00 0.00 C ATOM 523 CG ASP A 37 7.408 1.540 11.469 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.875 0.688 10.777 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.419 1.358 12.121 1.00 0.00 O ATOM 0 H ASP A 37 7.040 3.635 9.066 1.00 0.00 H new ATOM 0 HA ASP A 37 4.993 2.120 10.569 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.506 3.688 11.314 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.371 3.112 12.518 1.00 0.00 H new ATOM 530 N LEU A 38 4.327 4.877 9.698 1.00 0.00 N ATOM 531 CA LEU A 38 3.510 6.086 9.827 1.00 0.00 C ATOM 532 C LEU A 38 2.379 6.089 8.794 1.00 0.00 C ATOM 533 O LEU A 38 2.511 5.515 7.712 1.00 0.00 O ATOM 534 CB LEU A 38 4.389 7.337 9.630 1.00 0.00 C ATOM 535 CG LEU A 38 5.140 7.667 10.929 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.390 8.481 10.602 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.241 8.477 11.868 1.00 0.00 C ATOM 0 H LEU A 38 4.492 4.579 8.737 1.00 0.00 H new ATOM 0 HA LEU A 38 3.073 6.099 10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.101 7.167 8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.769 8.183 9.335 1.00 0.00 H new ATOM 0 HG LEU A 38 5.423 6.736 11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.923 8.715 11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.039 7.903 9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.101 9.407 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.784 8.705 12.785 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.948 9.406 11.379 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.350 7.897 12.109 1.00 0.00 H new ATOM 549 N PRO A 39 1.281 6.733 9.109 1.00 0.00 N ATOM 550 CA PRO A 39 0.110 6.827 8.194 1.00 0.00 C ATOM 551 C PRO A 39 0.436 7.637 6.937 1.00 0.00 C ATOM 552 O PRO A 39 1.532 8.178 6.797 1.00 0.00 O ATOM 553 CB PRO A 39 -0.972 7.519 9.048 1.00 0.00 C ATOM 554 CG PRO A 39 -0.219 8.264 10.102 1.00 0.00 C ATOM 555 CD PRO A 39 1.033 7.441 10.378 1.00 0.00 C ATOM 0 HA PRO A 39 -0.207 5.852 7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.578 8.195 8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.651 6.790 9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.039 9.267 9.763 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.819 8.378 11.005 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.876 8.076 10.652 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.879 6.743 11.201 1.00 0.00 H new ATOM 563 N LEU A 40 -0.537 7.720 6.042 1.00 0.00 N ATOM 564 CA LEU A 40 -0.375 8.474 4.809 1.00 0.00 C ATOM 565 C LEU A 40 -0.437 9.972 5.081 1.00 0.00 C ATOM 566 O LEU A 40 0.071 10.777 4.301 1.00 0.00 O ATOM 567 CB LEU A 40 -1.466 8.078 3.800 1.00 0.00 C ATOM 568 CG LEU A 40 -2.838 8.633 4.230 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.870 8.343 3.139 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.271 7.980 5.544 1.00 0.00 C ATOM 0 H LEU A 40 -1.448 7.274 6.147 1.00 0.00 H new ATOM 0 HA LEU A 40 0.603 8.239 4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.209 8.458 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.517 6.992 3.720 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.763 9.710 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.841 8.735 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.560 8.820 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.945 7.266 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.241 8.375 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.345 6.901 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.535 8.198 6.318 1.00 0.00 H new ATOM 582 N THR A 41 -1.081 10.336 6.185 1.00 0.00 N ATOM 583 CA THR A 41 -1.228 11.739 6.540 1.00 0.00 C ATOM 584 C THR A 41 0.117 12.438 6.519 1.00 0.00 C ATOM 585 O THR A 41 0.199 13.619 6.186 1.00 0.00 O ATOM 586 CB THR A 41 -1.846 11.876 7.928 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.097 11.097 8.847 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.297 11.391 7.900 1.00 0.00 C ATOM 0 H THR A 41 -1.506 9.683 6.844 1.00 0.00 H new ATOM 0 HA THR A 41 -1.885 12.205 5.806 1.00 0.00 H new ATOM 0 HB THR A 41 -1.829 12.922 8.235 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.683 10.432 9.265 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.733 11.491 8.894 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.868 11.991 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.325 10.345 7.595 1.00 0.00 H new ATOM 596 N SER A 42 1.168 11.715 6.884 1.00 0.00 N ATOM 597 CA SER A 42 2.507 12.291 6.909 1.00 0.00 C ATOM 598 C SER A 42 2.790 13.059 5.622 1.00 0.00 C ATOM 599 O SER A 42 3.485 14.075 5.638 1.00 0.00 O ATOM 600 CB SER A 42 3.541 11.167 7.071 1.00 0.00 C ATOM 601 OG SER A 42 4.830 11.676 6.760 1.00 0.00 O ATOM 0 H SER A 42 1.121 10.736 7.165 1.00 0.00 H new ATOM 0 HA SER A 42 2.573 12.983 7.748 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.524 10.784 8.091 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.297 10.333 6.413 1.00 0.00 H new ATOM 0 HG SER A 42 5.496 10.965 6.863 1.00 0.00 H new ATOM 607 N TYR A 43 2.250 12.578 4.505 1.00 0.00 N ATOM 608 CA TYR A 43 2.460 13.231 3.215 1.00 0.00 C ATOM 609 C TYR A 43 1.676 14.536 3.137 1.00 0.00 C ATOM 610 O TYR A 43 1.872 15.338 2.225 1.00 0.00 O ATOM 611 CB TYR A 43 2.015 12.289 2.092 1.00 0.00 C ATOM 612 CG TYR A 43 2.457 10.872 2.392 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.702 10.619 2.987 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.614 9.801 2.063 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.096 9.304 3.250 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.012 8.490 2.328 1.00 0.00 C ATOM 617 CZ TYR A 43 3.250 8.242 2.920 1.00 0.00 C ATOM 618 OH TYR A 43 3.639 6.946 3.172 1.00 0.00 O ATOM 0 H TYR A 43 1.666 11.742 4.466 1.00 0.00 H new ATOM 0 HA TYR A 43 3.520 13.461 3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.931 12.325 1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.439 12.617 1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.356 11.440 3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.655 9.991 1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.054 9.109 3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.361 7.667 2.074 1.00 0.00 H new ATOM 0 HH TYR A 43 2.933 6.331 2.883 1.00 0.00 H new ATOM 628 N GLY A 44 0.816 14.760 4.116 1.00 0.00 N ATOM 629 CA GLY A 44 0.042 15.990 4.159 1.00 0.00 C ATOM 630 C GLY A 44 -0.845 16.105 2.933 1.00 0.00 C ATOM 631 O GLY A 44 -1.245 17.203 2.544 1.00 0.00 O ATOM 0 H GLY A 44 0.637 14.114 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.570 16.010 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.713 16.847 4.211 1.00 0.00 H new ATOM 635 N LEU A 45 -1.143 14.970 2.320 1.00 0.00 N ATOM 636 CA LEU A 45 -1.974 14.953 1.130 1.00 0.00 C ATOM 637 C LEU A 45 -3.422 15.352 1.435 1.00 0.00 C ATOM 638 O LEU A 45 -3.989 14.964 2.455 1.00 0.00 O ATOM 639 CB LEU A 45 -1.944 13.550 0.506 1.00 0.00 C ATOM 640 CG LEU A 45 -2.835 12.571 1.307 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.796 11.182 0.668 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.319 12.472 2.743 1.00 0.00 C ATOM 0 H LEU A 45 -0.822 14.052 2.627 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.571 15.686 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.288 13.599 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.919 13.180 0.483 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.860 12.942 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.426 10.501 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.163 11.242 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.771 10.811 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.946 11.783 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.292 12.106 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.350 13.457 3.210 1.00 0.00 H new ATOM 654 N ASP A 46 -4.017 16.120 0.541 1.00 0.00 N ATOM 655 CA ASP A 46 -5.397 16.540 0.732 1.00 0.00 C ATOM 656 C ASP A 46 -6.335 15.338 0.632 1.00 0.00 C ATOM 657 O ASP A 46 -5.916 14.240 0.264 1.00 0.00 O ATOM 658 CB ASP A 46 -5.777 17.571 -0.323 1.00 0.00 C ATOM 659 CG ASP A 46 -5.049 18.880 -0.050 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.516 19.021 1.039 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.031 19.720 -0.932 1.00 0.00 O ATOM 0 H ASP A 46 -3.577 16.463 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.492 16.984 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.520 17.201 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.855 17.735 -0.313 1.00 0.00 H new ATOM 666 N SER A 47 -7.607 15.550 0.963 1.00 0.00 N ATOM 667 CA SER A 47 -8.596 14.478 0.905 1.00 0.00 C ATOM 668 C SER A 47 -8.839 14.037 -0.535 1.00 0.00 C ATOM 669 O SER A 47 -9.070 12.858 -0.803 1.00 0.00 O ATOM 670 CB SER A 47 -9.912 14.954 1.521 1.00 0.00 C ATOM 671 OG SER A 47 -10.378 16.094 0.810 1.00 0.00 O ATOM 0 H SER A 47 -7.975 16.450 1.272 1.00 0.00 H new ATOM 0 HA SER A 47 -8.211 13.628 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.655 14.157 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.766 15.201 2.573 1.00 0.00 H new ATOM 0 HG SER A 47 -11.223 16.401 1.201 1.00 0.00 H new ATOM 677 N VAL A 48 -8.783 14.990 -1.456 1.00 0.00 N ATOM 678 CA VAL A 48 -8.998 14.691 -2.867 1.00 0.00 C ATOM 679 C VAL A 48 -7.860 13.839 -3.415 1.00 0.00 C ATOM 680 O VAL A 48 -8.028 13.110 -4.389 1.00 0.00 O ATOM 681 CB VAL A 48 -9.098 15.991 -3.669 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.388 16.723 -3.293 1.00 0.00 C ATOM 683 CG2 VAL A 48 -7.897 16.885 -3.348 1.00 0.00 C ATOM 0 H VAL A 48 -8.592 15.971 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.930 14.134 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.105 15.759 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.460 17.649 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.245 16.089 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.379 16.953 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.969 17.810 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.890 17.116 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.976 16.366 -3.613 1.00 0.00 H new ATOM 693 N TYR A 49 -6.699 13.945 -2.785 1.00 0.00 N ATOM 694 CA TYR A 49 -5.539 13.182 -3.226 1.00 0.00 C ATOM 695 C TYR A 49 -5.775 11.682 -3.043 1.00 0.00 C ATOM 696 O TYR A 49 -5.547 10.887 -3.953 1.00 0.00 O ATOM 697 CB TYR A 49 -4.291 13.619 -2.429 1.00 0.00 C ATOM 698 CG TYR A 49 -3.081 13.696 -3.342 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.091 14.578 -4.426 1.00 0.00 C ATOM 700 CD2 TYR A 49 -1.965 12.884 -3.109 1.00 0.00 C ATOM 701 CE1 TYR A 49 -1.986 14.649 -5.280 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.863 12.952 -3.961 1.00 0.00 C ATOM 703 CZ TYR A 49 -0.872 13.834 -5.049 1.00 0.00 C ATOM 704 OH TYR A 49 0.214 13.897 -5.896 1.00 0.00 O ATOM 0 H TYR A 49 -6.535 14.544 -1.976 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.378 13.378 -4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.468 14.590 -1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.101 12.912 -1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.952 15.205 -4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.957 12.205 -2.269 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.992 15.332 -6.117 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.002 12.324 -3.782 1.00 0.00 H new ATOM 0 HH TYR A 49 0.902 13.268 -5.594 1.00 0.00 H new ATOM 714 N ALA A 50 -6.222 11.308 -1.850 1.00 0.00 N ATOM 715 CA ALA A 50 -6.464 9.907 -1.547 1.00 0.00 C ATOM 716 C ALA A 50 -7.311 9.273 -2.632 1.00 0.00 C ATOM 717 O ALA A 50 -7.094 8.125 -3.014 1.00 0.00 O ATOM 718 CB ALA A 50 -7.177 9.778 -0.202 1.00 0.00 C ATOM 0 H ALA A 50 -6.422 11.951 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.504 9.392 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.354 8.725 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.556 10.212 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.130 10.305 -0.243 1.00 0.00 H new ATOM 724 N LEU A 51 -8.282 10.022 -3.128 1.00 0.00 N ATOM 725 CA LEU A 51 -9.153 9.504 -4.166 1.00 0.00 C ATOM 726 C LEU A 51 -8.353 9.112 -5.405 1.00 0.00 C ATOM 727 O LEU A 51 -8.452 7.981 -5.891 1.00 0.00 O ATOM 728 CB LEU A 51 -10.183 10.572 -4.546 1.00 0.00 C ATOM 729 CG LEU A 51 -11.057 10.086 -5.736 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.525 10.439 -5.484 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.596 10.766 -7.038 1.00 0.00 C ATOM 0 H LEU A 51 -8.484 10.977 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.656 8.616 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.818 10.795 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.674 11.497 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.950 9.005 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.131 10.095 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.864 9.954 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.627 11.519 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.213 10.420 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.694 11.847 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.554 10.513 -7.231 1.00 0.00 H new ATOM 743 N SER A 52 -7.551 10.041 -5.906 1.00 0.00 N ATOM 744 CA SER A 52 -6.739 9.769 -7.085 1.00 0.00 C ATOM 745 C SER A 52 -5.698 8.703 -6.788 1.00 0.00 C ATOM 746 O SER A 52 -5.520 7.760 -7.558 1.00 0.00 O ATOM 747 CB SER A 52 -6.040 11.054 -7.531 1.00 0.00 C ATOM 748 OG SER A 52 -5.321 10.809 -8.734 1.00 0.00 O ATOM 0 H SER A 52 -7.445 10.979 -5.520 1.00 0.00 H new ATOM 0 HA SER A 52 -7.391 9.406 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.774 11.844 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.360 11.400 -6.752 1.00 0.00 H new ATOM 0 HG SER A 52 -4.874 11.632 -9.021 1.00 0.00 H new ATOM 754 N ILE A 53 -5.007 8.861 -5.670 1.00 0.00 N ATOM 755 CA ILE A 53 -3.976 7.906 -5.295 1.00 0.00 C ATOM 756 C ILE A 53 -4.584 6.539 -5.031 1.00 0.00 C ATOM 757 O ILE A 53 -4.238 5.556 -5.682 1.00 0.00 O ATOM 758 CB ILE A 53 -3.258 8.395 -4.030 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.737 9.838 -4.238 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.087 7.460 -3.692 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.371 9.838 -4.938 1.00 0.00 C ATOM 0 H ILE A 53 -5.138 9.631 -5.014 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.265 7.822 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.966 8.390 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.454 10.404 -4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.655 10.341 -3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.585 7.816 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.464 6.452 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.380 7.448 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.030 10.865 -5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.650 9.292 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.461 9.357 -5.912 1.00 0.00 H new ATOM 773 N ALA A 54 -5.512 6.479 -4.090 1.00 0.00 N ATOM 774 CA ALA A 54 -6.150 5.217 -3.764 1.00 0.00 C ATOM 775 C ALA A 54 -6.593 4.506 -5.032 1.00 0.00 C ATOM 776 O ALA A 54 -6.464 3.291 -5.135 1.00 0.00 O ATOM 777 CB ALA A 54 -7.361 5.462 -2.864 1.00 0.00 C ATOM 0 H ALA A 54 -5.836 7.278 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.430 4.589 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.834 4.510 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.038 5.949 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.075 6.102 -3.382 1.00 0.00 H new ATOM 783 N ALA A 55 -7.093 5.275 -5.999 1.00 0.00 N ATOM 784 CA ALA A 55 -7.531 4.695 -7.265 1.00 0.00 C ATOM 785 C ALA A 55 -6.343 4.122 -8.039 1.00 0.00 C ATOM 786 O ALA A 55 -6.436 3.062 -8.646 1.00 0.00 O ATOM 787 CB ALA A 55 -8.230 5.759 -8.109 1.00 0.00 C ATOM 0 H ALA A 55 -7.203 6.287 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.228 3.885 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.554 5.320 -9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.097 6.140 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.538 6.577 -8.309 1.00 0.00 H new ATOM 793 N GLU A 56 -5.229 4.836 -8.018 1.00 0.00 N ATOM 794 CA GLU A 56 -4.036 4.379 -8.726 1.00 0.00 C ATOM 795 C GLU A 56 -3.425 3.144 -8.049 1.00 0.00 C ATOM 796 O GLU A 56 -3.146 2.126 -8.700 1.00 0.00 O ATOM 797 CB GLU A 56 -3.000 5.505 -8.768 1.00 0.00 C ATOM 798 CG GLU A 56 -3.462 6.609 -9.723 1.00 0.00 C ATOM 799 CD GLU A 56 -3.447 6.099 -11.160 1.00 0.00 C ATOM 800 OE1 GLU A 56 -2.742 5.138 -11.417 1.00 0.00 O ATOM 801 OE2 GLU A 56 -4.143 6.673 -11.980 1.00 0.00 O ATOM 0 H GLU A 56 -5.122 5.723 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.327 4.104 -9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.856 5.915 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.037 5.112 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.467 6.935 -9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.810 7.477 -9.630 1.00 0.00 H new ATOM 808 N LEU A 57 -3.230 3.238 -6.740 1.00 0.00 N ATOM 809 CA LEU A 57 -2.648 2.132 -5.983 1.00 0.00 C ATOM 810 C LEU A 57 -3.507 0.889 -6.124 1.00 0.00 C ATOM 811 O LEU A 57 -3.015 -0.146 -6.519 1.00 0.00 O ATOM 812 CB LEU A 57 -2.555 2.524 -4.499 1.00 0.00 C ATOM 813 CG LEU A 57 -1.275 3.324 -4.247 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.246 4.552 -5.143 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.228 3.756 -2.782 1.00 0.00 C ATOM 0 H LEU A 57 -3.463 4.060 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.653 1.920 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.425 3.116 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.562 1.629 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.410 2.700 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.332 5.116 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.275 4.241 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.110 5.180 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.317 4.326 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.095 4.377 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.238 2.874 -2.142 1.00 0.00 H new ATOM 827 N GLU A 58 -4.784 1.003 -5.802 1.00 0.00 N ATOM 828 CA GLU A 58 -5.675 -0.149 -5.896 1.00 0.00 C ATOM 829 C GLU A 58 -5.795 -0.650 -7.334 1.00 0.00 C ATOM 830 O GLU A 58 -5.868 -1.857 -7.576 1.00 0.00 O ATOM 831 CB GLU A 58 -7.058 0.223 -5.376 1.00 0.00 C ATOM 832 CG GLU A 58 -7.721 1.269 -6.311 1.00 0.00 C ATOM 833 CD GLU A 58 -8.658 0.610 -7.329 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.260 -0.366 -7.941 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.763 1.103 -7.483 1.00 0.00 O ATOM 0 H GLU A 58 -5.225 1.864 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.249 -0.948 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.683 -0.668 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.978 0.626 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.282 1.987 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.947 1.828 -6.838 1.00 0.00 H new ATOM 842 N ASP A 59 -5.831 0.282 -8.283 1.00 0.00 N ATOM 843 CA ASP A 59 -5.961 -0.073 -9.696 1.00 0.00 C ATOM 844 C ASP A 59 -4.798 -0.952 -10.129 1.00 0.00 C ATOM 845 O ASP A 59 -4.916 -1.740 -11.065 1.00 0.00 O ATOM 846 CB ASP A 59 -5.999 1.200 -10.554 1.00 0.00 C ATOM 847 CG ASP A 59 -5.827 0.855 -12.030 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.315 -0.187 -12.434 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.209 1.636 -12.733 1.00 0.00 O ATOM 0 H ASP A 59 -5.772 1.284 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.890 -0.626 -9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.946 1.719 -10.404 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.209 1.881 -10.239 1.00 0.00 H new ATOM 854 N HIS A 60 -3.676 -0.814 -9.440 1.00 0.00 N ATOM 855 CA HIS A 60 -2.504 -1.616 -9.773 1.00 0.00 C ATOM 856 C HIS A 60 -2.692 -3.070 -9.318 1.00 0.00 C ATOM 857 O HIS A 60 -2.248 -4.002 -9.988 1.00 0.00 O ATOM 858 CB HIS A 60 -1.251 -1.003 -9.125 1.00 0.00 C ATOM 859 CG HIS A 60 -0.689 0.059 -10.010 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.353 -0.183 -11.325 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.412 1.376 -9.777 1.00 0.00 C ATOM 862 CE1 HIS A 60 0.109 0.970 -11.837 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.093 1.955 -10.934 1.00 0.00 N ATOM 0 H HIS A 60 -3.550 -0.168 -8.661 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.377 -1.617 -10.856 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.503 -0.582 -8.152 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.504 -1.778 -8.953 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.562 1.888 -8.838 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.452 1.087 -12.855 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.388 2.923 -11.066 1.00 0.00 H new ATOM 872 N LEU A 61 -3.354 -3.259 -8.178 1.00 0.00 N ATOM 873 CA LEU A 61 -3.595 -4.602 -7.643 1.00 0.00 C ATOM 874 C LEU A 61 -5.005 -5.051 -7.959 1.00 0.00 C ATOM 875 O LEU A 61 -5.521 -5.969 -7.331 1.00 0.00 O ATOM 876 CB LEU A 61 -3.366 -4.631 -6.121 1.00 0.00 C ATOM 877 CG LEU A 61 -1.987 -4.053 -5.773 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.901 -4.708 -6.632 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.987 -2.539 -6.002 1.00 0.00 C ATOM 0 H LEU A 61 -3.733 -2.503 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.890 -5.286 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.145 -4.056 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.440 -5.655 -5.756 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.775 -4.260 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.071 -4.287 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.891 -5.783 -6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.108 -4.521 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.006 -2.133 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.212 -2.329 -7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.743 -2.075 -5.368 1.00 0.00 H new ATOM 891 N ASP A 62 -5.620 -4.423 -8.955 1.00 0.00 N ATOM 892 CA ASP A 62 -6.972 -4.792 -9.360 1.00 0.00 C ATOM 893 C ASP A 62 -7.860 -5.051 -8.156 1.00 0.00 C ATOM 894 O ASP A 62 -8.313 -6.175 -7.940 1.00 0.00 O ATOM 895 CB ASP A 62 -6.921 -6.048 -10.209 1.00 0.00 C ATOM 896 CG ASP A 62 -6.318 -5.728 -11.580 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.193 -4.553 -11.891 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.996 -6.659 -12.299 1.00 0.00 O ATOM 0 H ASP A 62 -5.208 -3.661 -9.494 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.390 -3.962 -9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.324 -6.811 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.924 -6.456 -10.330 1.00 0.00 H new ATOM 903 N VAL A 63 -8.097 -4.013 -7.374 1.00 0.00 N ATOM 904 CA VAL A 63 -8.925 -4.133 -6.177 1.00 0.00 C ATOM 905 C VAL A 63 -9.636 -2.823 -5.886 1.00 0.00 C ATOM 906 O VAL A 63 -9.228 -1.772 -6.361 1.00 0.00 O ATOM 907 CB VAL A 63 -8.040 -4.507 -4.973 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.754 -5.998 -4.988 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.705 -3.763 -5.053 1.00 0.00 C ATOM 0 H VAL A 63 -7.730 -3.076 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.670 -4.910 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.567 -4.233 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.128 -6.257 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.693 -6.549 -4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.236 -6.260 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.086 -4.034 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.191 -4.037 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.886 -2.688 -5.044 1.00 0.00 H new ATOM 919 N SER A 64 -10.717 -2.894 -5.117 1.00 0.00 N ATOM 920 CA SER A 64 -11.483 -1.704 -4.758 1.00 0.00 C ATOM 921 C SER A 64 -11.460 -1.532 -3.245 1.00 0.00 C ATOM 922 O SER A 64 -11.555 -2.507 -2.500 1.00 0.00 O ATOM 923 CB SER A 64 -12.922 -1.833 -5.240 1.00 0.00 C ATOM 924 OG SER A 64 -13.615 -0.626 -4.958 1.00 0.00 O ATOM 0 H SER A 64 -11.084 -3.763 -4.729 1.00 0.00 H new ATOM 0 HA SER A 64 -11.034 -0.833 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.943 -2.038 -6.310 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.411 -2.672 -4.745 1.00 0.00 H new ATOM 0 HG SER A 64 -14.542 -0.701 -5.267 1.00 0.00 H new ATOM 930 N LEU A 65 -11.316 -0.285 -2.800 1.00 0.00 N ATOM 931 CA LEU A 65 -11.256 0.024 -1.366 1.00 0.00 C ATOM 932 C LEU A 65 -12.473 0.831 -0.968 1.00 0.00 C ATOM 933 O LEU A 65 -13.143 1.421 -1.815 1.00 0.00 O ATOM 934 CB LEU A 65 -9.965 0.817 -1.027 1.00 0.00 C ATOM 935 CG LEU A 65 -9.004 0.777 -2.221 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.562 1.652 -3.375 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.591 1.253 -1.773 1.00 0.00 C ATOM 0 H LEU A 65 -11.238 0.530 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.241 -0.913 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.215 1.850 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.485 0.389 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.914 -0.245 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.875 1.620 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.535 1.270 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.668 2.681 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.910 1.223 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.654 2.273 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.218 0.596 -0.987 1.00 0.00 H new ATOM 949 N ASP A 66 -12.756 0.855 0.331 1.00 0.00 N ATOM 950 CA ASP A 66 -13.903 1.599 0.833 1.00 0.00 C ATOM 951 C ASP A 66 -13.477 2.964 1.398 1.00 0.00 C ATOM 952 O ASP A 66 -12.353 3.124 1.868 1.00 0.00 O ATOM 953 CB ASP A 66 -14.625 0.770 1.919 1.00 0.00 C ATOM 954 CG ASP A 66 -16.020 0.351 1.437 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.092 -0.428 0.500 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.990 0.829 2.001 1.00 0.00 O ATOM 0 H ASP A 66 -12.213 0.373 1.047 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.586 1.781 0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.036 -0.115 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.711 1.355 2.834 1.00 0.00 H new ATOM 961 N PRO A 67 -14.358 3.935 1.390 1.00 0.00 N ATOM 962 CA PRO A 67 -14.060 5.291 1.946 1.00 0.00 C ATOM 963 C PRO A 67 -13.502 5.232 3.376 1.00 0.00 C ATOM 964 O PRO A 67 -12.327 5.513 3.610 1.00 0.00 O ATOM 965 CB PRO A 67 -15.426 6.006 1.919 1.00 0.00 C ATOM 966 CG PRO A 67 -16.233 5.296 0.880 1.00 0.00 C ATOM 967 CD PRO A 67 -15.730 3.854 0.848 1.00 0.00 C ATOM 0 HA PRO A 67 -13.291 5.804 1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.913 5.958 2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.311 7.061 1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.295 5.331 1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.114 5.770 -0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.359 3.200 1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.734 3.453 -0.166 1.00 0.00 H new ATOM 975 N THR A 68 -14.360 4.873 4.326 1.00 0.00 N ATOM 976 CA THR A 68 -13.957 4.799 5.724 1.00 0.00 C ATOM 977 C THR A 68 -12.903 3.722 5.921 1.00 0.00 C ATOM 978 O THR A 68 -12.178 3.720 6.914 1.00 0.00 O ATOM 979 CB THR A 68 -15.175 4.497 6.604 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.777 3.285 6.171 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.189 5.638 6.496 1.00 0.00 C ATOM 0 H THR A 68 -15.335 4.630 4.153 1.00 0.00 H new ATOM 0 HA THR A 68 -13.532 5.761 6.012 1.00 0.00 H new ATOM 0 HB THR A 68 -14.856 4.399 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.555 3.088 6.733 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.053 5.418 7.124 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.727 6.568 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.511 5.742 5.460 1.00 0.00 H new ATOM 989 N LEU A 69 -12.819 2.809 4.964 1.00 0.00 N ATOM 990 CA LEU A 69 -11.839 1.736 5.040 1.00 0.00 C ATOM 991 C LEU A 69 -10.425 2.276 4.831 1.00 0.00 C ATOM 992 O LEU A 69 -9.499 1.916 5.553 1.00 0.00 O ATOM 993 CB LEU A 69 -12.161 0.665 3.997 1.00 0.00 C ATOM 994 CG LEU A 69 -11.160 -0.500 4.111 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.769 -1.742 3.450 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.798 -0.150 3.449 1.00 0.00 C ATOM 0 H LEU A 69 -13.411 2.789 4.134 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.886 1.291 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.177 0.298 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.118 1.096 2.997 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.966 -0.694 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.069 -2.574 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.699 -2.004 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.973 -1.532 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.117 -0.995 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.953 0.069 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.368 0.722 3.941 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.269 3.150 3.844 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.963 3.729 3.556 1.00 0.00 C ATOM 1010 C ILE A 70 -8.382 4.359 4.817 1.00 0.00 C ATOM 1011 O ILE A 70 -7.177 4.289 5.059 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.091 4.780 2.444 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.408 4.082 1.113 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.774 5.554 2.309 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.961 5.104 0.116 1.00 0.00 C ATOM 0 H ILE A 70 -11.022 3.471 3.235 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.290 2.941 3.218 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.894 5.472 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.508 3.617 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.134 3.285 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.869 6.299 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.546 6.052 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.969 4.862 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.185 4.607 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.872 5.548 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.220 5.885 -0.053 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.248 4.967 5.619 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.810 5.593 6.856 1.00 0.00 C ATOM 1029 C TRP A 71 -8.641 4.544 7.951 1.00 0.00 C ATOM 1030 O TRP A 71 -8.151 4.846 9.041 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.829 6.645 7.300 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.836 7.774 6.318 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.849 8.057 5.467 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.800 8.767 6.064 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.503 9.165 4.715 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.249 9.637 5.044 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.527 8.995 6.619 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.463 10.697 4.587 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.733 10.059 6.160 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.201 10.908 5.148 1.00 0.00 C ATOM 0 H TRP A 71 -10.249 5.039 5.436 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.849 6.076 6.680 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.822 6.200 7.367 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.577 7.014 8.294 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.776 7.508 5.388 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.102 9.583 4.003 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.159 8.349 7.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.828 11.348 3.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.756 10.224 6.590 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.586 11.725 4.802 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.051 3.308 7.654 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.942 2.211 8.616 1.00 0.00 C ATOM 1053 C ASP A 72 -7.557 1.577 8.547 1.00 0.00 C ATOM 1054 O ASP A 72 -6.985 1.193 9.567 1.00 0.00 O ATOM 1055 CB ASP A 72 -10.007 1.153 8.341 1.00 0.00 C ATOM 1056 CG ASP A 72 -10.105 0.207 9.533 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.145 0.130 10.283 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -11.141 -0.419 9.686 1.00 0.00 O ATOM 0 H ASP A 72 -9.460 3.044 6.758 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.096 2.618 9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.971 1.630 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.755 0.594 7.440 1.00 0.00 H new ATOM 1063 N HIS A 73 -7.022 1.483 7.328 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.693 0.905 7.108 1.00 0.00 C ATOM 1065 C HIS A 73 -4.753 1.931 6.459 1.00 0.00 C ATOM 1066 O HIS A 73 -4.197 1.687 5.389 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.815 -0.323 6.204 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.967 -1.166 6.657 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.331 -1.277 7.990 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.860 -1.936 5.959 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.403 -2.087 8.049 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.766 -2.517 6.838 1.00 0.00 N ATOM 0 H HIS A 73 -7.488 1.799 6.478 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.275 0.615 8.072 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.963 -0.013 5.170 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.893 -0.903 6.234 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.870 -0.827 8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.860 -2.071 4.887 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.909 -2.357 8.964 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.565 3.064 7.091 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.670 4.147 6.580 1.00 0.00 C ATOM 1083 C PRO A 74 -2.196 3.791 6.729 1.00 0.00 C ATOM 1084 O PRO A 74 -1.322 4.547 6.309 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.033 5.352 7.459 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.519 4.761 8.741 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.194 3.444 8.364 1.00 0.00 C ATOM 0 HA PRO A 74 -3.809 4.329 5.514 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.169 5.995 7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.802 5.965 6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.693 4.593 9.432 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.220 5.431 9.239 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.036 2.683 9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.272 3.567 8.254 1.00 0.00 H new ATOM 1095 N THR A 75 -1.929 2.637 7.328 1.00 0.00 N ATOM 1096 CA THR A 75 -0.553 2.183 7.537 1.00 0.00 C ATOM 1097 C THR A 75 -0.223 1.025 6.604 1.00 0.00 C ATOM 1098 O THR A 75 -1.106 0.301 6.144 1.00 0.00 O ATOM 1099 CB THR A 75 -0.361 1.748 8.997 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.522 1.053 9.433 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.137 2.981 9.888 1.00 0.00 C ATOM 0 H THR A 75 -2.642 1.998 7.678 1.00 0.00 H new ATOM 0 HA THR A 75 0.122 3.010 7.316 1.00 0.00 H new ATOM 0 HB THR A 75 0.510 1.096 9.068 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.404 0.771 10.364 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.002 2.663 10.922 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.752 3.515 9.553 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.003 3.640 9.821 1.00 0.00 H new ATOM 1109 N ILE A 76 1.066 0.861 6.338 1.00 0.00 N ATOM 1110 CA ILE A 76 1.528 -0.210 5.468 1.00 0.00 C ATOM 1111 C ILE A 76 1.301 -1.561 6.127 1.00 0.00 C ATOM 1112 O ILE A 76 0.878 -2.513 5.479 1.00 0.00 O ATOM 1113 CB ILE A 76 3.018 -0.038 5.129 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.189 1.221 4.257 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.537 -1.272 4.363 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.633 1.334 3.731 1.00 0.00 C ATOM 0 H ILE A 76 1.807 1.454 6.711 1.00 0.00 H new ATOM 0 HA ILE A 76 0.955 -0.163 4.542 1.00 0.00 H new ATOM 0 HB ILE A 76 3.589 0.066 6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.494 1.184 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.939 2.108 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.593 -1.137 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.413 -2.162 4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.973 -1.390 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.728 2.231 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.323 1.395 4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.871 0.457 3.129 1.00 0.00 H new ATOM 1128 N ASP A 77 1.609 -1.641 7.412 1.00 0.00 N ATOM 1129 CA ASP A 77 1.459 -2.892 8.137 1.00 0.00 C ATOM 1130 C ASP A 77 0.050 -3.442 7.966 1.00 0.00 C ATOM 1131 O ASP A 77 -0.137 -4.625 7.665 1.00 0.00 O ATOM 1132 CB ASP A 77 1.753 -2.665 9.621 1.00 0.00 C ATOM 1133 CG ASP A 77 1.468 -3.937 10.414 1.00 0.00 C ATOM 1134 OD1 ASP A 77 2.042 -4.960 10.079 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.680 -3.868 11.343 1.00 0.00 O ATOM 0 H ASP A 77 1.961 -0.863 7.970 1.00 0.00 H new ATOM 0 HA ASP A 77 2.165 -3.618 7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.794 -2.371 9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.141 -1.847 10.000 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.939 -2.581 8.150 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.324 -2.993 8.009 1.00 0.00 C ATOM 1142 C ALA A 78 -2.651 -3.283 6.553 1.00 0.00 C ATOM 1143 O ALA A 78 -3.262 -4.305 6.230 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.250 -1.886 8.532 1.00 0.00 C ATOM 0 H ALA A 78 -0.809 -1.600 8.396 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.476 -3.903 8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.288 -2.199 8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.035 -1.698 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.085 -0.973 7.960 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.269 -2.368 5.677 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.573 -2.535 4.267 1.00 0.00 C ATOM 1152 C LEU A 79 -1.914 -3.799 3.728 1.00 0.00 C ATOM 1153 O LEU A 79 -2.536 -4.579 3.009 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.079 -1.312 3.474 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.999 -1.026 2.266 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.244 -2.305 1.437 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.353 -0.456 2.763 1.00 0.00 C ATOM 0 H LEU A 79 -1.757 -1.517 5.912 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.653 -2.625 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.048 -0.439 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.061 -1.487 3.127 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.505 -0.295 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.895 -2.073 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.292 -2.686 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.718 -3.060 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.999 -0.256 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.834 -1.181 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.179 0.470 3.311 1.00 0.00 H new ATOM 1169 N SER A 80 -0.647 -3.989 4.076 1.00 0.00 N ATOM 1170 CA SER A 80 0.088 -5.150 3.612 1.00 0.00 C ATOM 1171 C SER A 80 -0.597 -6.424 4.076 1.00 0.00 C ATOM 1172 O SER A 80 -0.848 -7.323 3.279 1.00 0.00 O ATOM 1173 CB SER A 80 1.515 -5.106 4.152 1.00 0.00 C ATOM 1174 OG SER A 80 2.118 -6.381 3.989 1.00 0.00 O ATOM 0 H SER A 80 -0.114 -3.357 4.673 1.00 0.00 H new ATOM 0 HA SER A 80 0.113 -5.140 2.522 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.093 -4.348 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.509 -4.826 5.205 1.00 0.00 H new ATOM 0 HG SER A 80 3.035 -6.356 4.333 1.00 0.00 H new ATOM 1180 N THR A 81 -0.905 -6.485 5.368 1.00 0.00 N ATOM 1181 CA THR A 81 -1.573 -7.657 5.931 1.00 0.00 C ATOM 1182 C THR A 81 -2.836 -7.982 5.134 1.00 0.00 C ATOM 1183 O THR A 81 -3.139 -9.147 4.852 1.00 0.00 O ATOM 1184 CB THR A 81 -1.935 -7.399 7.394 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.776 -6.976 8.100 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.486 -8.683 8.015 1.00 0.00 C ATOM 0 H THR A 81 -0.706 -5.745 6.041 1.00 0.00 H new ATOM 0 HA THR A 81 -0.893 -8.507 5.875 1.00 0.00 H new ATOM 0 HB THR A 81 -2.694 -6.619 7.453 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.799 -6.003 8.213 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.745 -8.501 9.058 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.376 -8.998 7.470 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.731 -9.467 7.960 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.568 -6.947 4.770 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.786 -7.137 3.999 1.00 0.00 C ATOM 1196 C ALA A 82 -4.465 -7.622 2.580 1.00 0.00 C ATOM 1197 O ALA A 82 -5.170 -8.477 2.017 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.566 -5.822 3.924 1.00 0.00 C ATOM 0 H ALA A 82 -3.346 -5.976 4.991 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.390 -7.894 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.477 -5.972 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.826 -5.495 4.931 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.951 -5.061 3.443 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.400 -7.077 1.990 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.030 -7.453 0.638 1.00 0.00 C ATOM 1206 C LEU A 83 -2.664 -8.934 0.572 1.00 0.00 C ATOM 1207 O LEU A 83 -3.206 -9.671 -0.242 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.837 -6.587 0.177 1.00 0.00 C ATOM 1209 CG LEU A 83 -1.947 -6.298 -1.317 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.759 -5.447 -1.749 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -1.956 -7.618 -2.084 1.00 0.00 C ATOM 0 H LEU A 83 -2.791 -6.384 2.425 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.879 -7.285 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.819 -5.652 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.900 -7.103 0.388 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.870 -5.757 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.831 -5.237 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.762 -4.509 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.167 -5.986 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.035 -7.417 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.033 -8.162 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.807 -8.219 -1.764 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.754 -9.364 1.444 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.349 -10.760 1.470 1.00 0.00 C ATOM 1225 C VAL A 84 -2.552 -11.647 1.767 1.00 0.00 C ATOM 1226 O VAL A 84 -2.641 -12.772 1.277 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.270 -10.971 2.534 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.811 -10.547 3.893 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.125 -12.448 2.579 1.00 0.00 C ATOM 0 H VAL A 84 -1.290 -8.771 2.132 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.943 -11.029 0.495 1.00 0.00 H new ATOM 0 HB VAL A 84 0.606 -10.371 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.044 -10.696 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.090 -9.494 3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.687 -11.147 4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.894 -12.596 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.749 -13.051 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.512 -12.751 1.606 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.479 -11.129 2.571 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.674 -11.886 2.919 1.00 0.00 C ATOM 1241 C ALA A 85 -5.436 -12.273 1.659 1.00 0.00 C ATOM 1242 O ALA A 85 -5.992 -13.367 1.571 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.578 -11.050 3.817 1.00 0.00 C ATOM 0 H ALA A 85 -3.425 -10.200 2.988 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.371 -12.789 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.469 -11.624 4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.042 -10.787 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.870 -10.140 3.293 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.449 -11.373 0.685 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.139 -11.645 -0.578 1.00 0.00 C ATOM 1251 C GLU A 86 -5.698 -12.999 -1.157 1.00 0.00 C ATOM 1252 O GLU A 86 -6.378 -13.580 -2.003 1.00 0.00 O ATOM 1253 CB GLU A 86 -5.819 -10.522 -1.590 1.00 0.00 C ATOM 1254 CG GLU A 86 -4.512 -10.829 -2.351 1.00 0.00 C ATOM 1255 CD GLU A 86 -4.766 -11.740 -3.551 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -5.913 -12.087 -3.783 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -3.803 -12.078 -4.224 1.00 0.00 O ATOM 0 H GLU A 86 -4.998 -10.460 0.738 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.212 -11.680 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.642 -10.418 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.726 -9.570 -1.067 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.059 -9.897 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.799 -11.304 -1.676 1.00 0.00 H new ATOM 1264 N LEU A 87 -4.547 -13.476 -0.696 1.00 0.00 N ATOM 1265 CA LEU A 87 -3.991 -14.745 -1.174 1.00 0.00 C ATOM 1266 C LEU A 87 -4.465 -15.903 -0.311 1.00 0.00 C ATOM 1267 O LEU A 87 -4.369 -17.065 -0.704 1.00 0.00 O ATOM 1268 CB LEU A 87 -2.455 -14.689 -1.173 1.00 0.00 C ATOM 1269 CG LEU A 87 -1.886 -15.760 -2.127 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -1.891 -15.250 -3.579 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -0.449 -16.100 -1.719 1.00 0.00 C ATOM 0 H LEU A 87 -3.978 -13.006 0.008 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.342 -14.905 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.119 -13.699 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.078 -14.852 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.513 -16.650 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.486 -16.019 -4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.913 -15.017 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.278 -14.352 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.049 -16.857 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.167 -15.202 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.442 -16.483 -0.699 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.976 -15.578 0.865 1.00 0.00 N ATOM 1284 CA ARG A 88 -5.462 -16.596 1.781 1.00 0.00 C ATOM 1285 C ARG A 88 -6.827 -17.114 1.338 1.00 0.00 C ATOM 1286 O ARG A 88 -7.027 -17.442 0.167 1.00 0.00 O ATOM 1287 CB ARG A 88 -5.558 -16.005 3.190 1.00 0.00 C ATOM 1288 CG ARG A 88 -4.170 -15.581 3.689 1.00 0.00 C ATOM 1289 CD ARG A 88 -3.387 -16.802 4.188 1.00 0.00 C ATOM 1290 NE ARG A 88 -2.159 -16.378 4.845 1.00 0.00 N ATOM 1291 CZ ARG A 88 -1.111 -17.188 4.922 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -1.173 -18.384 4.402 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -0.026 -16.790 5.521 1.00 0.00 N ATOM 0 H ARG A 88 -5.065 -14.621 1.207 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.764 -17.433 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.228 -15.145 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.987 -16.740 3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.621 -15.092 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.272 -14.853 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.000 -17.377 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.152 -17.459 3.351 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.103 -15.444 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.026 -18.694 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.368 -19.008 4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.018 -15.857 5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.781 -17.411 5.581 1.00 0.00 H new ATOM 1307 N SER A 89 -7.763 -17.193 2.281 1.00 0.00 N ATOM 1308 CA SER A 89 -9.100 -17.680 1.973 1.00 0.00 C ATOM 1309 C SER A 89 -9.029 -19.065 1.340 1.00 0.00 C ATOM 1310 O SER A 89 -9.437 -19.255 0.194 1.00 0.00 O ATOM 1311 CB SER A 89 -9.798 -16.709 1.026 1.00 0.00 C ATOM 1312 OG SER A 89 -9.348 -16.940 -0.301 1.00 0.00 O ATOM 0 H SER A 89 -7.620 -16.928 3.256 1.00 0.00 H new ATOM 0 HA SER A 89 -9.670 -17.750 2.899 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.878 -16.841 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.586 -15.681 1.320 1.00 0.00 H new ATOM 0 HG SER A 89 -8.728 -17.699 -0.309 1.00 0.00 H new ATOM 1318 N ALA A 90 -8.510 -20.031 2.091 1.00 0.00 N ATOM 1319 CA ALA A 90 -8.397 -21.394 1.588 1.00 0.00 C ATOM 1320 C ALA A 90 -8.084 -22.362 2.726 1.00 0.00 C ATOM 1321 O ALA A 90 -8.003 -23.549 2.461 1.00 0.00 O ATOM 1322 CB ALA A 90 -7.294 -21.472 0.533 1.00 0.00 C ATOM 1323 OXT ALA A 90 -7.931 -21.900 3.845 1.00 0.00 O ATOM 0 H ALA A 90 -8.164 -19.897 3.041 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.350 -21.675 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.216 -22.494 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.534 -20.804 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.344 -21.174 0.977 1.00 0.00 H new TER 1329 ALA A 90