USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 982 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 87 THR OG1 : rot -150:sc= -1.13 USER MOD Set 1.2: A 90 ASN : amide:sc= -0.0638 X(o=-1.2,f=-1.1) USER MOD Set 2.1: A 1 GLY N :NH3+ 148:sc= 0.398 (180deg=0) USER MOD Set 2.2: A 3 HIS : no HD1:sc= 0.362 K(o=0.76,f=-0.0061) USER MOD Single : A 2 SER OG : rot -54:sc= 1.06 USER MOD Single : A 4 MET CE :methyl -159:sc= -0.467 (180deg=-2.02!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0.045 USER MOD Single : A 13 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.58) USER MOD Single : A 14 ASN : amide:sc= -9.01! C(o=-9!,f=-10!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 165:sc= 0 USER MOD Single : A 26 SER OG : rot 58:sc= -0.416 USER MOD Single : A 28 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= -0.0648 X(o=-0.065,f=-0.36) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0538 USER MOD Single : A 38 SER OG : rot 10:sc= 0.557 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -9.27! C(o=-13!,f=-9.3!) USER MOD Single : A 44 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 86 SER OG : rot 11:sc= 0.542 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0777 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.47 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -4.44! (180deg=-5.41!) USER MOD Single : A 100 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.5!) USER MOD Single : A 102 THR OG1 : rot -84:sc= 1.06 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0735 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.571 -5.319 15.930 1.00 0.00 N ATOM 2 CA GLY A 1 25.816 -5.825 16.570 1.00 0.00 C ATOM 3 C GLY A 1 26.870 -4.747 16.720 1.00 0.00 C ATOM 4 O GLY A 1 27.525 -4.370 15.748 1.00 0.00 O ATOM 0 H1 GLY A 1 24.134 -6.080 15.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.907 -5.003 16.665 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.802 -4.520 15.305 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.576 -6.233 17.552 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.220 -6.644 15.974 1.00 0.00 H new ATOM 10 N SER A 2 27.036 -4.248 17.941 1.00 0.00 N ATOM 11 CA SER A 2 28.018 -3.206 18.215 1.00 0.00 C ATOM 12 C SER A 2 27.716 -1.948 17.407 1.00 0.00 C ATOM 13 O SER A 2 28.627 -1.260 16.946 1.00 0.00 O ATOM 14 CB SER A 2 29.427 -3.707 17.893 1.00 0.00 C ATOM 15 OG SER A 2 30.395 -2.703 18.142 1.00 0.00 O ATOM 0 H SER A 2 26.502 -4.549 18.757 1.00 0.00 H new ATOM 0 HA SER A 2 27.961 -2.958 19.275 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.649 -4.588 18.495 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.477 -4.014 16.848 1.00 0.00 H new ATOM 0 HG SER A 2 30.153 -1.888 17.655 1.00 0.00 H new ATOM 21 N HIS A 3 26.431 -1.654 17.240 1.00 0.00 N ATOM 22 CA HIS A 3 26.007 -0.478 16.489 1.00 0.00 C ATOM 23 C HIS A 3 25.511 0.618 17.426 1.00 0.00 C ATOM 24 O HIS A 3 25.539 0.463 18.648 1.00 0.00 O ATOM 25 CB HIS A 3 24.904 -0.853 15.496 1.00 0.00 C ATOM 26 CG HIS A 3 25.397 -1.648 14.328 1.00 0.00 C ATOM 27 ND1 HIS A 3 24.794 -2.813 13.901 1.00 0.00 N ATOM 28 CD2 HIS A 3 26.441 -1.439 13.490 1.00 0.00 C ATOM 29 CE1 HIS A 3 25.446 -3.287 12.855 1.00 0.00 C ATOM 30 NE2 HIS A 3 26.448 -2.472 12.585 1.00 0.00 N ATOM 0 H HIS A 3 25.665 -2.214 17.615 1.00 0.00 H new ATOM 0 HA HIS A 3 26.869 -0.098 15.940 1.00 0.00 H new ATOM 0 HB2 HIS A 3 24.136 -1.425 16.017 1.00 0.00 H new ATOM 0 HB3 HIS A 3 24.430 0.058 15.131 1.00 0.00 H new ATOM 0 HD2 HIS A 3 27.137 -0.614 13.527 1.00 0.00 H new ATOM 0 HE1 HIS A 3 25.201 -4.188 12.313 1.00 0.00 H new ATOM 0 HE2 HIS A 3 27.120 -2.590 11.826 1.00 0.00 H new ATOM 39 N MET A 4 25.059 1.726 16.847 1.00 0.00 N ATOM 40 CA MET A 4 24.558 2.849 17.632 1.00 0.00 C ATOM 41 C MET A 4 23.070 3.071 17.378 1.00 0.00 C ATOM 42 O MET A 4 22.233 2.767 18.227 1.00 0.00 O ATOM 43 CB MET A 4 25.344 4.121 17.299 1.00 0.00 C ATOM 44 CG MET A 4 25.948 4.799 18.518 1.00 0.00 C ATOM 45 SD MET A 4 27.711 4.466 18.697 1.00 0.00 S ATOM 46 CE MET A 4 27.707 2.682 18.839 1.00 0.00 C ATOM 0 H MET A 4 25.029 1.870 15.838 1.00 0.00 H new ATOM 0 HA MET A 4 24.694 2.613 18.687 1.00 0.00 H new ATOM 0 HB2 MET A 4 26.142 3.872 16.599 1.00 0.00 H new ATOM 0 HB3 MET A 4 24.683 4.824 16.792 1.00 0.00 H new ATOM 0 HG2 MET A 4 25.791 5.875 18.445 1.00 0.00 H new ATOM 0 HG3 MET A 4 25.426 4.461 19.413 1.00 0.00 H new ATOM 0 HE1 MET A 4 28.630 2.353 19.316 1.00 0.00 H new ATOM 0 HE2 MET A 4 26.855 2.367 19.441 1.00 0.00 H new ATOM 0 HE3 MET A 4 27.633 2.238 17.846 1.00 0.00 H new ATOM 56 N ASP A 5 22.750 3.605 16.203 1.00 0.00 N ATOM 57 CA ASP A 5 21.363 3.870 15.837 1.00 0.00 C ATOM 58 C ASP A 5 20.636 2.577 15.481 1.00 0.00 C ATOM 59 O ASP A 5 21.226 1.497 15.501 1.00 0.00 O ATOM 60 CB ASP A 5 21.303 4.845 14.658 1.00 0.00 C ATOM 61 CG ASP A 5 21.108 6.280 15.104 1.00 0.00 C ATOM 62 OD1 ASP A 5 20.029 6.591 15.652 1.00 0.00 O ATOM 63 OD2 ASP A 5 22.035 7.094 14.906 1.00 0.00 O ATOM 0 H ASP A 5 23.432 3.862 15.489 1.00 0.00 H new ATOM 0 HA ASP A 5 20.866 4.319 16.697 1.00 0.00 H new ATOM 0 HB2 ASP A 5 22.224 4.769 14.080 1.00 0.00 H new ATOM 0 HB3 ASP A 5 20.486 4.559 13.995 1.00 0.00 H new ATOM 68 N LYS A 6 19.352 2.696 15.156 1.00 0.00 N ATOM 69 CA LYS A 6 18.547 1.534 14.797 1.00 0.00 C ATOM 70 C LYS A 6 17.505 1.896 13.743 1.00 0.00 C ATOM 71 O LYS A 6 16.472 2.491 14.053 1.00 0.00 O ATOM 72 CB LYS A 6 17.862 0.957 16.038 1.00 0.00 C ATOM 73 CG LYS A 6 18.326 -0.446 16.390 1.00 0.00 C ATOM 74 CD LYS A 6 18.113 -1.412 15.234 1.00 0.00 C ATOM 75 CE LYS A 6 16.910 -2.310 15.472 1.00 0.00 C ATOM 76 NZ LYS A 6 16.119 -2.521 14.227 1.00 0.00 N ATOM 0 H LYS A 6 18.848 3.583 15.134 1.00 0.00 H new ATOM 0 HA LYS A 6 19.212 0.779 14.376 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.049 1.616 16.886 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.784 0.944 15.875 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.383 -0.424 16.657 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.783 -0.801 17.266 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.972 -0.850 14.311 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.005 -2.024 15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.246 -3.273 15.856 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.272 -1.867 16.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.308 -3.139 14.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.776 -1.605 13.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.720 -2.967 13.505 1.00 0.00 H new ATOM 90 N THR A 7 17.782 1.528 12.496 1.00 0.00 N ATOM 91 CA THR A 7 16.871 1.807 11.393 1.00 0.00 C ATOM 92 C THR A 7 16.844 0.640 10.413 1.00 0.00 C ATOM 93 O THR A 7 17.799 -0.133 10.332 1.00 0.00 O ATOM 94 CB THR A 7 17.277 3.094 10.686 1.00 0.00 C ATOM 95 OG1 THR A 7 18.671 3.316 10.798 1.00 0.00 O ATOM 96 CG2 THR A 7 16.567 4.303 11.244 1.00 0.00 C ATOM 0 H THR A 7 18.632 1.035 12.224 1.00 0.00 H new ATOM 0 HA THR A 7 15.866 1.936 11.796 1.00 0.00 H new ATOM 0 HB THR A 7 16.994 2.964 9.641 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.908 4.147 10.335 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.890 5.195 10.707 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.490 4.179 11.127 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.807 4.410 12.302 1.00 0.00 H new ATOM 104 N PHE A 8 15.737 0.496 9.690 1.00 0.00 N ATOM 105 CA PHE A 8 15.595 -0.607 8.746 1.00 0.00 C ATOM 106 C PHE A 8 14.813 -0.213 7.502 1.00 0.00 C ATOM 107 O PHE A 8 13.837 0.533 7.573 1.00 0.00 O ATOM 108 CB PHE A 8 14.884 -1.777 9.417 1.00 0.00 C ATOM 109 CG PHE A 8 13.825 -1.360 10.393 1.00 0.00 C ATOM 110 CD1 PHE A 8 14.164 -0.769 11.604 1.00 0.00 C ATOM 111 CD2 PHE A 8 12.489 -1.579 10.108 1.00 0.00 C ATOM 112 CE1 PHE A 8 13.186 -0.408 12.510 1.00 0.00 C ATOM 113 CE2 PHE A 8 11.510 -1.216 11.011 1.00 0.00 C ATOM 114 CZ PHE A 8 11.858 -0.634 12.214 1.00 0.00 C ATOM 0 H PHE A 8 14.933 1.122 9.739 1.00 0.00 H new ATOM 0 HA PHE A 8 16.602 -0.890 8.439 1.00 0.00 H new ATOM 0 HB2 PHE A 8 14.431 -2.404 8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 8 15.622 -2.390 9.935 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.203 -0.590 11.839 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.210 -2.038 9.171 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.461 0.050 13.449 1.00 0.00 H new ATOM 0 HE2 PHE A 8 10.470 -1.388 10.776 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.091 -0.356 12.922 1.00 0.00 H new ATOM 124 N CYS A 9 15.230 -0.763 6.367 1.00 0.00 N ATOM 125 CA CYS A 9 14.554 -0.518 5.101 1.00 0.00 C ATOM 126 C CYS A 9 13.460 -1.569 4.926 1.00 0.00 C ATOM 127 O CYS A 9 13.727 -2.768 5.017 1.00 0.00 O ATOM 128 CB CYS A 9 15.545 -0.577 3.928 1.00 0.00 C ATOM 129 SG CYS A 9 17.272 -0.260 4.377 1.00 0.00 S ATOM 0 H CYS A 9 16.036 -1.384 6.299 1.00 0.00 H new ATOM 0 HA CYS A 9 14.116 0.480 5.110 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.479 -1.561 3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.240 0.151 3.176 1.00 0.00 H new ATOM 0 HG CYS A 9 18.018 -0.337 3.315 1.00 0.00 H new ATOM 135 N VAL A 10 12.227 -1.127 4.708 1.00 0.00 N ATOM 136 CA VAL A 10 11.105 -2.050 4.562 1.00 0.00 C ATOM 137 C VAL A 10 10.576 -2.083 3.137 1.00 0.00 C ATOM 138 O VAL A 10 10.626 -1.094 2.415 1.00 0.00 O ATOM 139 CB VAL A 10 9.955 -1.690 5.535 1.00 0.00 C ATOM 140 CG1 VAL A 10 8.719 -1.180 4.799 1.00 0.00 C ATOM 141 CG2 VAL A 10 9.600 -2.882 6.404 1.00 0.00 C ATOM 0 H VAL A 10 11.978 -0.141 4.629 1.00 0.00 H new ATOM 0 HA VAL A 10 11.484 -3.042 4.808 1.00 0.00 H new ATOM 0 HB VAL A 10 10.312 -0.880 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.939 -0.940 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.976 -0.285 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.358 -1.950 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.790 -2.610 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.282 -3.711 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.473 -3.182 6.984 1.00 0.00 H new ATOM 151 N VAL A 11 10.063 -3.234 2.743 1.00 0.00 N ATOM 152 CA VAL A 11 9.522 -3.396 1.408 1.00 0.00 C ATOM 153 C VAL A 11 8.226 -4.201 1.425 1.00 0.00 C ATOM 154 O VAL A 11 8.170 -5.301 1.974 1.00 0.00 O ATOM 155 CB VAL A 11 10.556 -4.062 0.491 1.00 0.00 C ATOM 156 CG1 VAL A 11 11.005 -5.390 1.073 1.00 0.00 C ATOM 157 CG2 VAL A 11 10.014 -4.230 -0.922 1.00 0.00 C ATOM 0 H VAL A 11 10.010 -4.068 3.328 1.00 0.00 H new ATOM 0 HA VAL A 11 9.291 -2.405 1.018 1.00 0.00 H new ATOM 0 HB VAL A 11 11.426 -3.409 0.428 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.738 -5.849 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.455 -5.225 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.145 -6.052 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.770 -4.705 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.120 -4.853 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.763 -3.253 -1.334 1.00 0.00 H new ATOM 167 N VAL A 12 7.183 -3.633 0.826 1.00 0.00 N ATOM 168 CA VAL A 12 5.878 -4.281 0.776 1.00 0.00 C ATOM 169 C VAL A 12 5.700 -5.082 -0.507 1.00 0.00 C ATOM 170 O VAL A 12 5.464 -4.518 -1.574 1.00 0.00 O ATOM 171 CB VAL A 12 4.742 -3.246 0.871 1.00 0.00 C ATOM 172 CG1 VAL A 12 4.703 -2.630 2.256 1.00 0.00 C ATOM 173 CG2 VAL A 12 4.906 -2.169 -0.193 1.00 0.00 C ATOM 0 H VAL A 12 7.218 -2.723 0.367 1.00 0.00 H new ATOM 0 HA VAL A 12 5.832 -4.957 1.630 1.00 0.00 H new ATOM 0 HB VAL A 12 3.795 -3.756 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.895 -1.900 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.534 -3.411 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.652 -2.135 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.093 -1.448 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.859 -1.660 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.883 -2.628 -1.182 1.00 0.00 H new ATOM 183 N GLN A 13 5.796 -6.400 -0.394 1.00 0.00 N ATOM 184 CA GLN A 13 5.631 -7.274 -1.547 1.00 0.00 C ATOM 185 C GLN A 13 4.167 -7.671 -1.709 1.00 0.00 C ATOM 186 O GLN A 13 3.643 -8.476 -0.938 1.00 0.00 O ATOM 187 CB GLN A 13 6.505 -8.521 -1.403 1.00 0.00 C ATOM 188 CG GLN A 13 7.349 -8.815 -2.632 1.00 0.00 C ATOM 189 CD GLN A 13 7.273 -10.268 -3.059 1.00 0.00 C ATOM 190 OE1 GLN A 13 6.206 -10.880 -3.033 1.00 0.00 O ATOM 191 NE2 GLN A 13 8.410 -10.828 -3.456 1.00 0.00 N ATOM 0 H GLN A 13 5.987 -6.886 0.482 1.00 0.00 H new ATOM 0 HA GLN A 13 5.945 -6.731 -2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.162 -8.397 -0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.867 -9.380 -1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.019 -8.181 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.387 -8.555 -2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.272 -10.283 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.421 -11.803 -3.755 1.00 0.00 H new ATOM 200 N ASN A 14 3.510 -7.097 -2.711 1.00 0.00 N ATOM 201 CA ASN A 14 2.104 -7.388 -2.967 1.00 0.00 C ATOM 202 C ASN A 14 1.944 -8.294 -4.181 1.00 0.00 C ATOM 203 O ASN A 14 2.710 -8.211 -5.141 1.00 0.00 O ATOM 204 CB ASN A 14 1.321 -6.091 -3.182 1.00 0.00 C ATOM 205 CG ASN A 14 0.068 -6.019 -2.333 1.00 0.00 C ATOM 206 OD1 ASN A 14 0.100 -6.287 -1.133 1.00 0.00 O ATOM 207 ND2 ASN A 14 -1.044 -5.653 -2.960 1.00 0.00 N ATOM 0 H ASN A 14 3.928 -6.428 -3.358 1.00 0.00 H new ATOM 0 HA ASN A 14 1.706 -7.906 -2.094 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.962 -5.241 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.048 -6.006 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.921 -5.584 -2.444 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.021 -5.441 -3.957 1.00 0.00 H new ATOM 214 N ARG A 15 0.934 -9.152 -4.131 1.00 0.00 N ATOM 215 CA ARG A 15 0.653 -10.072 -5.226 1.00 0.00 C ATOM 216 C ARG A 15 -0.843 -10.105 -5.515 1.00 0.00 C ATOM 217 O ARG A 15 -1.389 -11.131 -5.917 1.00 0.00 O ATOM 218 CB ARG A 15 1.156 -11.477 -4.884 1.00 0.00 C ATOM 219 CG ARG A 15 2.514 -11.800 -5.486 1.00 0.00 C ATOM 220 CD ARG A 15 2.718 -13.300 -5.623 1.00 0.00 C ATOM 221 NE ARG A 15 3.335 -13.880 -4.432 1.00 0.00 N ATOM 222 CZ ARG A 15 3.899 -15.085 -4.402 1.00 0.00 C ATOM 223 NH1 ARG A 15 3.926 -15.841 -5.493 1.00 0.00 N ATOM 224 NH2 ARG A 15 4.437 -15.536 -3.277 1.00 0.00 N ATOM 0 H ARG A 15 0.293 -9.230 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 15 1.175 -9.722 -6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.215 -11.579 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.429 -12.210 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.601 -11.329 -6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.301 -11.380 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.757 -13.781 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.345 -13.503 -6.491 1.00 0.00 H new ATOM 0 HE ARG A 15 3.333 -13.329 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.513 -15.499 -6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.360 -16.764 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.418 -14.959 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.870 -16.459 -3.253 1.00 0.00 H new ATOM 238 N ILE A 16 -1.499 -8.969 -5.300 1.00 0.00 N ATOM 239 CA ILE A 16 -2.933 -8.854 -5.525 1.00 0.00 C ATOM 240 C ILE A 16 -3.231 -8.231 -6.888 1.00 0.00 C ATOM 241 O ILE A 16 -3.906 -8.836 -7.721 1.00 0.00 O ATOM 242 CB ILE A 16 -3.598 -8.015 -4.412 1.00 0.00 C ATOM 243 CG1 ILE A 16 -3.411 -8.697 -3.055 1.00 0.00 C ATOM 244 CG2 ILE A 16 -5.077 -7.800 -4.701 1.00 0.00 C ATOM 245 CD1 ILE A 16 -2.196 -8.212 -2.296 1.00 0.00 C ATOM 0 H ILE A 16 -1.056 -8.112 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.348 -9.862 -5.506 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.115 -7.038 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.300 -8.528 -2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.328 -9.773 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.521 -7.206 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.190 -7.274 -5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.580 -8.765 -4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.127 -8.739 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.299 -8.406 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.285 -7.141 -2.112 1.00 0.00 H new ATOM 257 N LYS A 17 -2.724 -7.021 -7.111 1.00 0.00 N ATOM 258 CA LYS A 17 -2.942 -6.324 -8.376 1.00 0.00 C ATOM 259 C LYS A 17 -2.042 -5.095 -8.484 1.00 0.00 C ATOM 260 O LYS A 17 -1.143 -4.898 -7.666 1.00 0.00 O ATOM 261 CB LYS A 17 -4.414 -5.909 -8.527 1.00 0.00 C ATOM 262 CG LYS A 17 -5.242 -6.073 -7.262 1.00 0.00 C ATOM 263 CD LYS A 17 -6.531 -5.267 -7.330 1.00 0.00 C ATOM 264 CE LYS A 17 -7.501 -5.851 -8.344 1.00 0.00 C ATOM 265 NZ LYS A 17 -7.752 -4.916 -9.476 1.00 0.00 N ATOM 0 H LYS A 17 -2.161 -6.504 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.689 -7.014 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.455 -4.866 -8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.867 -6.500 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.478 -7.127 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.657 -5.754 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.000 -5.246 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.302 -4.235 -7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.102 -6.789 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.444 -6.085 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.418 -5.352 -10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.157 -4.030 -9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.856 -4.712 -9.963 1.00 0.00 H new ATOM 279 N GLU A 18 -2.293 -4.267 -9.496 1.00 0.00 N ATOM 280 CA GLU A 18 -1.509 -3.055 -9.707 1.00 0.00 C ATOM 281 C GLU A 18 -2.328 -1.806 -9.385 1.00 0.00 C ATOM 282 O GLU A 18 -1.777 -0.720 -9.213 1.00 0.00 O ATOM 283 CB GLU A 18 -0.999 -2.990 -11.150 1.00 0.00 C ATOM 284 CG GLU A 18 -2.025 -3.427 -12.184 1.00 0.00 C ATOM 285 CD GLU A 18 -1.481 -3.383 -13.598 1.00 0.00 C ATOM 286 OE1 GLU A 18 -1.516 -2.298 -14.215 1.00 0.00 O ATOM 287 OE2 GLU A 18 -1.020 -4.435 -14.089 1.00 0.00 O ATOM 0 H GLU A 18 -3.033 -4.414 -10.182 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.655 -3.089 -9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.688 -1.969 -11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.114 -3.620 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.355 -4.441 -11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.902 -2.783 -12.116 1.00 0.00 H new ATOM 294 N GLY A 19 -3.647 -1.969 -9.302 1.00 0.00 N ATOM 295 CA GLY A 19 -4.515 -0.847 -8.997 1.00 0.00 C ATOM 296 C GLY A 19 -5.154 -0.975 -7.629 1.00 0.00 C ATOM 297 O GLY A 19 -6.348 -0.726 -7.467 1.00 0.00 O ATOM 0 H GLY A 19 -4.128 -2.858 -9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.940 0.078 -9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.295 -0.776 -9.755 1.00 0.00 H new ATOM 301 N TYR A 20 -4.353 -1.366 -6.643 1.00 0.00 N ATOM 302 CA TYR A 20 -4.840 -1.531 -5.279 1.00 0.00 C ATOM 303 C TYR A 20 -4.615 -0.267 -4.454 1.00 0.00 C ATOM 304 O TYR A 20 -4.999 -0.205 -3.285 1.00 0.00 O ATOM 305 CB TYR A 20 -4.152 -2.726 -4.614 1.00 0.00 C ATOM 306 CG TYR A 20 -5.095 -3.623 -3.842 1.00 0.00 C ATOM 307 CD1 TYR A 20 -6.347 -3.950 -4.348 1.00 0.00 C ATOM 308 CD2 TYR A 20 -4.732 -4.145 -2.606 1.00 0.00 C ATOM 309 CE1 TYR A 20 -7.209 -4.769 -3.646 1.00 0.00 C ATOM 310 CE2 TYR A 20 -5.589 -4.964 -1.898 1.00 0.00 C ATOM 311 CZ TYR A 20 -6.826 -5.273 -2.421 1.00 0.00 C ATOM 312 OH TYR A 20 -7.683 -6.090 -1.720 1.00 0.00 O ATOM 0 H TYR A 20 -3.362 -1.575 -6.764 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.913 -1.716 -5.324 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.650 -3.317 -5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.380 -2.359 -3.938 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.651 -3.557 -5.307 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.763 -3.906 -2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.178 -5.014 -4.054 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.291 -5.361 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.189 -6.549 -1.009 1.00 0.00 H new ATOM 322 N ARG A 21 -4.001 0.741 -5.066 1.00 0.00 N ATOM 323 CA ARG A 21 -3.743 2.000 -4.382 1.00 0.00 C ATOM 324 C ARG A 21 -2.855 1.795 -3.164 1.00 0.00 C ATOM 325 O ARG A 21 -2.383 0.689 -2.902 1.00 0.00 O ATOM 326 CB ARG A 21 -5.061 2.639 -3.948 1.00 0.00 C ATOM 327 CG ARG A 21 -5.972 3.013 -5.104 1.00 0.00 C ATOM 328 CD ARG A 21 -5.208 3.687 -6.234 1.00 0.00 C ATOM 329 NE ARG A 21 -6.020 4.686 -6.925 1.00 0.00 N ATOM 330 CZ ARG A 21 -5.683 5.241 -8.088 1.00 0.00 C ATOM 331 NH1 ARG A 21 -4.554 4.897 -8.693 1.00 0.00 N ATOM 332 NH2 ARG A 21 -6.479 6.143 -8.646 1.00 0.00 N ATOM 0 H ARG A 21 -3.674 0.709 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.226 2.659 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.589 1.949 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.845 3.534 -3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.464 2.117 -5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.756 3.681 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.313 4.162 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.876 2.933 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.897 4.975 -6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.938 4.204 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.301 5.326 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.348 6.411 -8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.222 6.569 -9.537 1.00 0.00 H new ATOM 346 N ARG A 22 -2.640 2.873 -2.420 1.00 0.00 N ATOM 347 CA ARG A 22 -1.819 2.821 -1.222 1.00 0.00 C ATOM 348 C ARG A 22 -1.862 4.155 -0.483 1.00 0.00 C ATOM 349 O ARG A 22 -2.747 4.977 -0.723 1.00 0.00 O ATOM 350 CB ARG A 22 -0.376 2.452 -1.584 1.00 0.00 C ATOM 351 CG ARG A 22 0.104 1.165 -0.931 1.00 0.00 C ATOM 352 CD ARG A 22 1.442 1.355 -0.233 1.00 0.00 C ATOM 353 NE ARG A 22 1.293 1.986 1.076 1.00 0.00 N ATOM 354 CZ ARG A 22 0.708 1.401 2.119 1.00 0.00 C ATOM 355 NH1 ARG A 22 0.216 0.173 2.012 1.00 0.00 N ATOM 356 NH2 ARG A 22 0.615 2.047 3.275 1.00 0.00 N ATOM 0 H ARG A 22 -3.025 3.795 -2.628 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.219 2.052 -0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.296 2.353 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.284 3.268 -1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.638 0.824 -0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.195 0.385 -1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.930 0.387 -0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.093 1.966 -0.858 1.00 0.00 H new ATOM 0 HE ARG A 22 1.659 2.930 1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.285 -0.329 1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.231 -0.269 2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.992 2.991 3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.167 1.600 4.075 1.00 0.00 H new ATOM 370 N ALA A 23 -0.901 4.368 0.416 1.00 0.00 N ATOM 371 CA ALA A 23 -0.828 5.605 1.189 1.00 0.00 C ATOM 372 C ALA A 23 -1.052 6.828 0.304 1.00 0.00 C ATOM 373 O ALA A 23 -1.562 7.852 0.756 1.00 0.00 O ATOM 374 CB ALA A 23 0.519 5.703 1.890 1.00 0.00 C ATOM 0 H ALA A 23 -0.162 3.698 0.626 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.621 5.583 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.564 6.629 2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.642 4.853 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.317 5.697 1.147 1.00 0.00 H new ATOM 380 N GLY A 24 -0.664 6.708 -0.962 1.00 0.00 N ATOM 381 CA GLY A 24 -0.828 7.803 -1.899 1.00 0.00 C ATOM 382 C GLY A 24 0.275 7.842 -2.937 1.00 0.00 C ATOM 383 O GLY A 24 0.764 8.914 -3.295 1.00 0.00 O ATOM 0 H GLY A 24 -0.238 5.869 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.792 7.709 -2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.843 8.746 -1.353 1.00 0.00 H new ATOM 387 N PHE A 25 0.675 6.668 -3.417 1.00 0.00 N ATOM 388 CA PHE A 25 1.734 6.572 -4.415 1.00 0.00 C ATOM 389 C PHE A 25 1.372 5.582 -5.522 1.00 0.00 C ATOM 390 O PHE A 25 2.254 5.041 -6.187 1.00 0.00 O ATOM 391 CB PHE A 25 3.042 6.144 -3.748 1.00 0.00 C ATOM 392 CG PHE A 25 3.328 6.868 -2.464 1.00 0.00 C ATOM 393 CD1 PHE A 25 2.624 6.564 -1.310 1.00 0.00 C ATOM 394 CD2 PHE A 25 4.302 7.852 -2.412 1.00 0.00 C ATOM 395 CE1 PHE A 25 2.887 7.229 -0.127 1.00 0.00 C ATOM 396 CE2 PHE A 25 4.568 8.520 -1.233 1.00 0.00 C ATOM 397 CZ PHE A 25 3.860 8.209 -0.088 1.00 0.00 C ATOM 0 H PHE A 25 0.282 5.771 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 25 1.857 7.556 -4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.006 5.073 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.866 6.313 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.862 5.799 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.859 8.099 -3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.332 6.983 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.329 9.285 -1.206 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.067 8.731 0.835 1.00 0.00 H new ATOM 407 N SER A 26 0.074 5.349 -5.717 1.00 0.00 N ATOM 408 CA SER A 26 -0.398 4.421 -6.746 1.00 0.00 C ATOM 409 C SER A 26 0.434 3.139 -6.755 1.00 0.00 C ATOM 410 O SER A 26 1.080 2.810 -7.751 1.00 0.00 O ATOM 411 CB SER A 26 -0.350 5.088 -8.122 1.00 0.00 C ATOM 412 OG SER A 26 0.592 6.147 -8.146 1.00 0.00 O ATOM 0 H SER A 26 -0.670 5.790 -5.176 1.00 0.00 H new ATOM 0 HA SER A 26 -1.429 4.156 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.089 4.348 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.338 5.471 -8.378 1.00 0.00 H new ATOM 0 HG SER A 26 1.476 5.804 -7.897 1.00 0.00 H new ATOM 418 N PHE A 27 0.416 2.421 -5.636 1.00 0.00 N ATOM 419 CA PHE A 27 1.173 1.180 -5.511 1.00 0.00 C ATOM 420 C PHE A 27 0.781 0.184 -6.598 1.00 0.00 C ATOM 421 O PHE A 27 -0.338 -0.327 -6.615 1.00 0.00 O ATOM 422 CB PHE A 27 0.951 0.560 -4.128 1.00 0.00 C ATOM 423 CG PHE A 27 1.748 -0.694 -3.885 1.00 0.00 C ATOM 424 CD1 PHE A 27 2.929 -0.934 -4.575 1.00 0.00 C ATOM 425 CD2 PHE A 27 1.314 -1.635 -2.965 1.00 0.00 C ATOM 426 CE1 PHE A 27 3.658 -2.086 -4.349 1.00 0.00 C ATOM 427 CE2 PHE A 27 2.040 -2.788 -2.735 1.00 0.00 C ATOM 428 CZ PHE A 27 3.212 -3.015 -3.429 1.00 0.00 C ATOM 0 H PHE A 27 -0.114 2.677 -4.803 1.00 0.00 H new ATOM 0 HA PHE A 27 2.230 1.418 -5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.208 1.295 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.109 0.334 -4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.282 -0.212 -5.297 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.397 -1.465 -2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.576 -2.260 -4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.691 -3.511 -2.013 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.779 -3.917 -3.253 1.00 0.00 H new ATOM 438 N HIS A 28 1.716 -0.088 -7.504 1.00 0.00 N ATOM 439 CA HIS A 28 1.480 -1.024 -8.598 1.00 0.00 C ATOM 440 C HIS A 28 1.685 -2.460 -8.134 1.00 0.00 C ATOM 441 O HIS A 28 1.881 -2.718 -6.947 1.00 0.00 O ATOM 442 CB HIS A 28 2.423 -0.722 -9.762 1.00 0.00 C ATOM 443 CG HIS A 28 1.725 -0.573 -11.077 1.00 0.00 C ATOM 444 ND1 HIS A 28 2.149 -1.200 -12.231 1.00 0.00 N ATOM 445 CD2 HIS A 28 0.625 0.138 -11.421 1.00 0.00 C ATOM 446 CE1 HIS A 28 1.340 -0.879 -13.226 1.00 0.00 C ATOM 447 NE2 HIS A 28 0.408 -0.069 -12.761 1.00 0.00 N ATOM 0 H HIS A 28 2.647 0.328 -7.501 1.00 0.00 H new ATOM 0 HA HIS A 28 0.448 -0.907 -8.929 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.971 0.195 -9.546 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.159 -1.523 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.029 0.754 -10.763 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.427 -1.222 -14.246 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.351 0.338 -13.308 1.00 0.00 H new ATOM 456 N LEU A 29 1.653 -3.394 -9.080 1.00 0.00 N ATOM 457 CA LEU A 29 1.851 -4.799 -8.759 1.00 0.00 C ATOM 458 C LEU A 29 3.336 -5.100 -8.613 1.00 0.00 C ATOM 459 O LEU A 29 4.062 -5.218 -9.600 1.00 0.00 O ATOM 460 CB LEU A 29 1.231 -5.699 -9.828 1.00 0.00 C ATOM 461 CG LEU A 29 1.117 -7.181 -9.451 1.00 0.00 C ATOM 462 CD1 LEU A 29 2.494 -7.805 -9.285 1.00 0.00 C ATOM 463 CD2 LEU A 29 0.293 -7.358 -8.182 1.00 0.00 C ATOM 0 H LEU A 29 1.493 -3.203 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 29 1.352 -5.005 -7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.235 -5.323 -10.063 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.826 -5.617 -10.738 1.00 0.00 H new ATOM 0 HG LEU A 29 0.604 -7.695 -10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.387 -8.856 -9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.046 -7.723 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.037 -7.284 -8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.227 -8.418 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.771 -6.824 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.709 -6.959 -8.340 1.00 0.00 H new ATOM 475 N GLY A 30 3.774 -5.215 -7.370 1.00 0.00 N ATOM 476 CA GLY A 30 5.169 -5.495 -7.090 1.00 0.00 C ATOM 477 C GLY A 30 5.543 -5.165 -5.661 1.00 0.00 C ATOM 478 O GLY A 30 4.773 -5.423 -4.736 1.00 0.00 O ATOM 0 H GLY A 30 3.185 -5.119 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.372 -6.548 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.797 -4.920 -7.770 1.00 0.00 H new ATOM 482 N ASP A 31 6.727 -4.595 -5.477 1.00 0.00 N ATOM 483 CA ASP A 31 7.196 -4.231 -4.147 1.00 0.00 C ATOM 484 C ASP A 31 7.981 -2.924 -4.175 1.00 0.00 C ATOM 485 O ASP A 31 8.715 -2.647 -5.124 1.00 0.00 O ATOM 486 CB ASP A 31 8.067 -5.347 -3.567 1.00 0.00 C ATOM 487 CG ASP A 31 9.320 -5.588 -4.384 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.348 -5.178 -5.564 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.274 -6.188 -3.845 1.00 0.00 O ATOM 0 H ASP A 31 7.379 -4.375 -6.230 1.00 0.00 H new ATOM 0 HA ASP A 31 6.321 -4.091 -3.513 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.347 -5.091 -2.545 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.486 -6.268 -3.517 1.00 0.00 H new ATOM 494 N ASN A 32 7.827 -2.128 -3.121 1.00 0.00 N ATOM 495 CA ASN A 32 8.527 -0.852 -3.014 1.00 0.00 C ATOM 496 C ASN A 32 9.429 -0.852 -1.788 1.00 0.00 C ATOM 497 O ASN A 32 9.035 -1.328 -0.726 1.00 0.00 O ATOM 498 CB ASN A 32 7.524 0.301 -2.931 1.00 0.00 C ATOM 499 CG ASN A 32 7.292 0.963 -4.275 1.00 0.00 C ATOM 500 OD1 ASN A 32 8.237 1.271 -5.000 1.00 0.00 O ATOM 501 ND2 ASN A 32 6.027 1.188 -4.613 1.00 0.00 N ATOM 0 H ASN A 32 7.223 -2.344 -2.328 1.00 0.00 H new ATOM 0 HA ASN A 32 9.141 -0.715 -3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.576 -0.073 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.887 1.044 -2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.809 1.633 -5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.274 0.916 -3.981 1.00 0.00 H new ATOM 508 N SER A 33 10.640 -0.324 -1.933 1.00 0.00 N ATOM 509 CA SER A 33 11.581 -0.285 -0.821 1.00 0.00 C ATOM 510 C SER A 33 11.389 0.961 0.027 1.00 0.00 C ATOM 511 O SER A 33 11.064 2.036 -0.478 1.00 0.00 O ATOM 512 CB SER A 33 13.024 -0.338 -1.315 1.00 0.00 C ATOM 513 OG SER A 33 13.153 0.264 -2.592 1.00 0.00 O ATOM 0 H SER A 33 10.990 0.079 -2.802 1.00 0.00 H new ATOM 0 HA SER A 33 11.380 -1.164 -0.208 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.673 0.171 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.356 -1.375 -1.364 1.00 0.00 H new ATOM 0 HG SER A 33 14.088 0.217 -2.883 1.00 0.00 H new ATOM 519 N LEU A 34 11.598 0.797 1.322 1.00 0.00 N ATOM 520 CA LEU A 34 11.461 1.888 2.273 1.00 0.00 C ATOM 521 C LEU A 34 12.821 2.204 2.905 1.00 0.00 C ATOM 522 O LEU A 34 13.617 1.304 3.150 1.00 0.00 O ATOM 523 CB LEU A 34 10.418 1.502 3.342 1.00 0.00 C ATOM 524 CG LEU A 34 10.346 2.382 4.578 1.00 0.00 C ATOM 525 CD1 LEU A 34 11.393 1.919 5.567 1.00 0.00 C ATOM 526 CD2 LEU A 34 10.511 3.857 4.237 1.00 0.00 C ATOM 0 H LEU A 34 11.866 -0.092 1.743 1.00 0.00 H new ATOM 0 HA LEU A 34 11.115 2.787 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.435 1.497 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.623 0.481 3.663 1.00 0.00 H new ATOM 0 HG LEU A 34 9.357 2.285 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.352 2.543 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.201 0.881 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.381 1.998 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.453 4.450 5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.480 4.015 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.719 4.163 3.554 1.00 0.00 H new ATOM 538 N ALA A 35 13.080 3.484 3.156 1.00 0.00 N ATOM 539 CA ALA A 35 14.336 3.927 3.746 1.00 0.00 C ATOM 540 C ALA A 35 14.432 3.508 5.203 1.00 0.00 C ATOM 541 O ALA A 35 13.433 3.234 5.849 1.00 0.00 O ATOM 542 CB ALA A 35 14.479 5.429 3.622 1.00 0.00 C ATOM 0 H ALA A 35 12.426 4.241 2.956 1.00 0.00 H new ATOM 0 HA ALA A 35 15.150 3.451 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.423 5.743 4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.464 5.710 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.653 5.917 4.140 1.00 0.00 H new ATOM 548 N ALA A 36 15.645 3.428 5.708 1.00 0.00 N ATOM 549 CA ALA A 36 15.857 2.983 7.078 1.00 0.00 C ATOM 550 C ALA A 36 15.360 4.006 8.094 1.00 0.00 C ATOM 551 O ALA A 36 15.912 5.097 8.236 1.00 0.00 O ATOM 552 CB ALA A 36 17.331 2.685 7.303 1.00 0.00 C ATOM 0 H ALA A 36 16.497 3.662 5.198 1.00 0.00 H new ATOM 0 HA ALA A 36 15.276 2.073 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.482 2.353 8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.653 1.902 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.916 3.587 7.124 1.00 0.00 H new ATOM 558 N VAL A 37 14.287 3.617 8.790 1.00 0.00 N ATOM 559 CA VAL A 37 13.651 4.453 9.805 1.00 0.00 C ATOM 560 C VAL A 37 13.453 3.664 11.102 1.00 0.00 C ATOM 561 O VAL A 37 13.821 2.492 11.182 1.00 0.00 O ATOM 562 CB VAL A 37 12.282 4.978 9.312 1.00 0.00 C ATOM 563 CG1 VAL A 37 11.869 6.229 10.074 1.00 0.00 C ATOM 564 CG2 VAL A 37 12.317 5.249 7.814 1.00 0.00 C ATOM 0 H VAL A 37 13.836 2.711 8.663 1.00 0.00 H new ATOM 0 HA VAL A 37 14.308 5.302 9.994 1.00 0.00 H new ATOM 0 HB VAL A 37 11.537 4.205 9.504 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.903 6.576 9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.792 5.999 11.137 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.616 7.009 9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.344 5.617 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.080 5.997 7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.552 4.327 7.283 1.00 0.00 H new ATOM 574 N SER A 38 12.886 4.309 12.122 1.00 0.00 N ATOM 575 CA SER A 38 12.668 3.655 13.411 1.00 0.00 C ATOM 576 C SER A 38 11.200 3.279 13.634 1.00 0.00 C ATOM 577 O SER A 38 10.513 3.884 14.457 1.00 0.00 O ATOM 578 CB SER A 38 13.148 4.564 14.545 1.00 0.00 C ATOM 579 OG SER A 38 14.466 4.227 14.944 1.00 0.00 O ATOM 0 H SER A 38 12.571 5.278 12.081 1.00 0.00 H new ATOM 0 HA SER A 38 13.244 2.730 13.406 1.00 0.00 H new ATOM 0 HB2 SER A 38 13.118 5.604 14.220 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.473 4.476 15.396 1.00 0.00 H new ATOM 0 HG SER A 38 14.845 3.583 14.310 1.00 0.00 H new ATOM 585 N GLU A 39 10.735 2.254 12.917 1.00 0.00 N ATOM 586 CA GLU A 39 9.358 1.761 13.052 1.00 0.00 C ATOM 587 C GLU A 39 8.331 2.630 12.316 1.00 0.00 C ATOM 588 O GLU A 39 7.202 2.195 12.088 1.00 0.00 O ATOM 589 CB GLU A 39 8.971 1.632 14.524 1.00 0.00 C ATOM 590 CG GLU A 39 8.462 0.247 14.883 1.00 0.00 C ATOM 591 CD GLU A 39 7.424 0.273 15.988 1.00 0.00 C ATOM 592 OE1 GLU A 39 6.234 0.492 15.679 1.00 0.00 O ATOM 593 OE2 GLU A 39 7.801 0.074 17.162 1.00 0.00 O ATOM 0 H GLU A 39 11.294 1.745 12.232 1.00 0.00 H new ATOM 0 HA GLU A 39 9.341 0.778 12.581 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.836 1.867 15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.202 2.368 14.758 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.031 -0.218 13.996 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.302 -0.375 15.193 1.00 0.00 H new ATOM 600 N SER A 40 8.710 3.850 11.956 1.00 0.00 N ATOM 601 CA SER A 40 7.798 4.756 11.259 1.00 0.00 C ATOM 602 C SER A 40 7.374 4.201 9.897 1.00 0.00 C ATOM 603 O SER A 40 6.352 4.608 9.344 1.00 0.00 O ATOM 604 CB SER A 40 8.454 6.126 11.081 1.00 0.00 C ATOM 605 OG SER A 40 7.484 7.159 11.064 1.00 0.00 O ATOM 0 H SER A 40 9.637 4.236 12.133 1.00 0.00 H new ATOM 0 HA SER A 40 6.902 4.856 11.871 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.162 6.301 11.891 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.023 6.142 10.151 1.00 0.00 H new ATOM 0 HG SER A 40 7.930 8.024 10.951 1.00 0.00 H new ATOM 611 N GLN A 41 8.168 3.283 9.356 1.00 0.00 N ATOM 612 CA GLN A 41 7.876 2.686 8.049 1.00 0.00 C ATOM 613 C GLN A 41 6.911 1.515 8.155 1.00 0.00 C ATOM 614 O GLN A 41 6.213 1.188 7.195 1.00 0.00 O ATOM 615 CB GLN A 41 9.153 2.209 7.371 1.00 0.00 C ATOM 616 CG GLN A 41 10.189 1.619 8.315 1.00 0.00 C ATOM 617 CD GLN A 41 9.638 0.472 9.124 1.00 0.00 C ATOM 618 OE1 GLN A 41 9.574 0.663 10.428 1.00 0.00 O flip ATOM 619 NE2 GLN A 41 9.271 -0.571 8.583 1.00 0.00 N flip ATOM 0 H GLN A 41 9.018 2.934 9.798 1.00 0.00 H new ATOM 0 HA GLN A 41 7.409 3.469 7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.894 1.460 6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.601 3.048 6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.048 1.275 7.739 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.548 2.397 8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.340 -0.672 7.570 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.898 -1.334 9.147 1.00 0.00 H new ATOM 628 N LEU A 42 6.888 0.874 9.310 1.00 0.00 N ATOM 629 CA LEU A 42 6.022 -0.273 9.516 1.00 0.00 C ATOM 630 C LEU A 42 4.578 0.159 9.675 1.00 0.00 C ATOM 631 O LEU A 42 3.695 -0.308 8.957 1.00 0.00 O ATOM 632 CB LEU A 42 6.475 -1.065 10.743 1.00 0.00 C ATOM 633 CG LEU A 42 5.906 -2.477 10.841 1.00 0.00 C ATOM 634 CD1 LEU A 42 6.751 -3.448 10.027 1.00 0.00 C ATOM 635 CD2 LEU A 42 5.834 -2.918 12.295 1.00 0.00 C ATOM 0 H LEU A 42 7.457 1.127 10.118 1.00 0.00 H new ATOM 0 HA LEU A 42 6.091 -0.913 8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.563 -1.127 10.736 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.193 -0.512 11.639 1.00 0.00 H new ATOM 0 HG LEU A 42 4.896 -2.475 10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.332 -4.451 10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.755 -3.139 8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.772 -3.450 10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.426 -3.927 12.349 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.834 -2.907 12.729 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.190 -2.236 12.851 1.00 0.00 H new ATOM 647 N ALA A 43 4.339 1.056 10.618 1.00 0.00 N ATOM 648 CA ALA A 43 2.998 1.546 10.865 1.00 0.00 C ATOM 649 C ALA A 43 2.454 2.298 9.654 1.00 0.00 C ATOM 650 O ALA A 43 1.242 2.443 9.499 1.00 0.00 O ATOM 651 CB ALA A 43 2.984 2.435 12.095 1.00 0.00 C ATOM 0 H ALA A 43 5.056 1.457 11.222 1.00 0.00 H new ATOM 0 HA ALA A 43 2.350 0.688 11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.971 2.797 12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.320 1.864 12.960 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.651 3.283 11.939 1.00 0.00 H new ATOM 657 N GLN A 44 3.353 2.775 8.792 1.00 0.00 N ATOM 658 CA GLN A 44 2.940 3.506 7.600 1.00 0.00 C ATOM 659 C GLN A 44 2.403 2.548 6.541 1.00 0.00 C ATOM 660 O GLN A 44 1.336 2.772 5.970 1.00 0.00 O ATOM 661 CB GLN A 44 4.115 4.311 7.036 1.00 0.00 C ATOM 662 CG GLN A 44 3.992 5.808 7.268 1.00 0.00 C ATOM 663 CD GLN A 44 3.619 6.566 6.009 1.00 0.00 C ATOM 664 OE1 GLN A 44 3.918 6.131 4.898 1.00 0.00 O ATOM 665 NE2 GLN A 44 2.962 7.708 6.178 1.00 0.00 N ATOM 0 H GLN A 44 4.362 2.668 8.898 1.00 0.00 H new ATOM 0 HA GLN A 44 2.143 4.195 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.040 3.956 7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.193 4.123 5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.239 5.992 8.035 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.938 6.191 7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.734 8.031 7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.685 8.262 5.367 1.00 0.00 H new ATOM 674 N LEU A 45 3.154 1.483 6.284 1.00 0.00 N ATOM 675 CA LEU A 45 2.762 0.487 5.294 1.00 0.00 C ATOM 676 C LEU A 45 1.708 -0.463 5.852 1.00 0.00 C ATOM 677 O LEU A 45 0.862 -0.971 5.116 1.00 0.00 O ATOM 678 CB LEU A 45 3.991 -0.294 4.827 1.00 0.00 C ATOM 679 CG LEU A 45 4.977 0.525 3.995 1.00 0.00 C ATOM 680 CD1 LEU A 45 6.140 -0.333 3.518 1.00 0.00 C ATOM 681 CD2 LEU A 45 4.261 1.169 2.820 1.00 0.00 C ATOM 0 H LEU A 45 4.040 1.287 6.749 1.00 0.00 H new ATOM 0 HA LEU A 45 2.323 1.006 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.510 -0.688 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.661 -1.150 4.239 1.00 0.00 H new ATOM 0 HG LEU A 45 5.388 1.312 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.825 0.277 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.668 -0.742 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.761 -1.150 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.973 1.750 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.822 0.394 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.474 1.826 3.189 1.00 0.00 H new ATOM 692 N LYS A 46 1.763 -0.697 7.158 1.00 0.00 N ATOM 693 CA LYS A 46 0.810 -1.585 7.819 1.00 0.00 C ATOM 694 C LYS A 46 -0.540 -0.899 8.025 1.00 0.00 C ATOM 695 O LYS A 46 -1.522 -1.543 8.395 1.00 0.00 O ATOM 696 CB LYS A 46 1.359 -2.053 9.168 1.00 0.00 C ATOM 697 CG LYS A 46 0.895 -3.446 9.565 1.00 0.00 C ATOM 698 CD LYS A 46 0.553 -3.521 11.045 1.00 0.00 C ATOM 699 CE LYS A 46 1.044 -4.819 11.666 1.00 0.00 C ATOM 700 NZ LYS A 46 0.029 -5.419 12.576 1.00 0.00 N ATOM 0 H LYS A 46 2.457 -0.285 7.782 1.00 0.00 H new ATOM 0 HA LYS A 46 0.663 -2.448 7.170 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.448 -2.039 9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.056 -1.345 9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.021 -3.721 8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.676 -4.170 9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.001 -2.675 11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.526 -3.440 11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.288 -5.529 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.963 -4.631 12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.403 -6.302 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.186 -4.752 13.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.839 -5.623 12.041 1.00 0.00 H new ATOM 714 N ALA A 47 -0.587 0.411 7.787 1.00 0.00 N ATOM 715 CA ALA A 47 -1.820 1.179 7.952 1.00 0.00 C ATOM 716 C ALA A 47 -3.003 0.486 7.281 1.00 0.00 C ATOM 717 O ALA A 47 -4.070 0.341 7.878 1.00 0.00 O ATOM 718 CB ALA A 47 -1.643 2.582 7.393 1.00 0.00 C ATOM 0 H ALA A 47 0.214 0.962 7.479 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.034 1.245 9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.568 3.144 7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.835 3.086 7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.399 2.523 6.332 1.00 0.00 H new ATOM 724 N ASP A 48 -2.807 0.062 6.037 1.00 0.00 N ATOM 725 CA ASP A 48 -3.860 -0.613 5.287 1.00 0.00 C ATOM 726 C ASP A 48 -3.779 -2.127 5.478 1.00 0.00 C ATOM 727 O ASP A 48 -2.748 -2.740 5.199 1.00 0.00 O ATOM 728 CB ASP A 48 -3.757 -0.270 3.801 1.00 0.00 C ATOM 729 CG ASP A 48 -4.281 1.119 3.491 1.00 0.00 C ATOM 730 OD1 ASP A 48 -3.737 2.096 4.046 1.00 0.00 O ATOM 731 OD2 ASP A 48 -5.237 1.229 2.695 1.00 0.00 O ATOM 0 H ASP A 48 -1.930 0.174 5.528 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.821 -0.267 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.716 -0.341 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.317 -1.004 3.222 1.00 0.00 H new ATOM 736 N PRO A 49 -4.868 -2.757 5.958 1.00 0.00 N ATOM 737 CA PRO A 49 -4.907 -4.203 6.183 1.00 0.00 C ATOM 738 C PRO A 49 -5.168 -4.986 4.899 1.00 0.00 C ATOM 739 O PRO A 49 -6.106 -5.778 4.824 1.00 0.00 O ATOM 740 CB PRO A 49 -6.075 -4.360 7.153 1.00 0.00 C ATOM 741 CG PRO A 49 -7.008 -3.257 6.791 1.00 0.00 C ATOM 742 CD PRO A 49 -6.146 -2.111 6.323 1.00 0.00 C ATOM 0 HA PRO A 49 -3.959 -4.590 6.557 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.552 -5.335 7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.745 -4.278 8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.696 -3.572 6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.614 -2.963 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.592 -1.597 5.472 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.008 -1.367 7.108 1.00 0.00 H new ATOM 750 N ARG A 50 -4.333 -4.758 3.891 1.00 0.00 N ATOM 751 CA ARG A 50 -4.478 -5.443 2.611 1.00 0.00 C ATOM 752 C ARG A 50 -3.127 -5.936 2.097 1.00 0.00 C ATOM 753 O ARG A 50 -3.012 -7.061 1.608 1.00 0.00 O ATOM 754 CB ARG A 50 -5.131 -4.516 1.582 1.00 0.00 C ATOM 755 CG ARG A 50 -6.543 -4.930 1.204 1.00 0.00 C ATOM 756 CD ARG A 50 -7.559 -4.441 2.225 1.00 0.00 C ATOM 757 NE ARG A 50 -8.931 -4.719 1.806 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.519 -5.907 1.931 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.858 -6.931 2.457 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.771 -6.073 1.527 1.00 0.00 N ATOM 0 H ARG A 50 -3.550 -4.106 3.935 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.121 -6.310 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.153 -3.502 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.515 -4.492 0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.790 -4.528 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.597 -6.016 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.368 -4.921 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.436 -3.368 2.375 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.470 -3.958 1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.894 -6.810 2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.314 -7.839 2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.284 -5.291 1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.221 -6.983 1.623 1.00 0.00 H new ATOM 774 N LEU A 51 -2.105 -5.092 2.213 1.00 0.00 N ATOM 775 CA LEU A 51 -0.765 -5.455 1.764 1.00 0.00 C ATOM 776 C LEU A 51 0.024 -6.096 2.902 1.00 0.00 C ATOM 777 O LEU A 51 -0.510 -6.312 3.991 1.00 0.00 O ATOM 778 CB LEU A 51 -0.018 -4.225 1.226 1.00 0.00 C ATOM 779 CG LEU A 51 -0.869 -3.208 0.454 1.00 0.00 C ATOM 780 CD1 LEU A 51 -1.886 -3.910 -0.436 1.00 0.00 C ATOM 781 CD2 LEU A 51 -1.562 -2.252 1.414 1.00 0.00 C ATOM 0 H LEU A 51 -2.179 -4.156 2.612 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.863 -6.179 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.452 -3.713 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.784 -4.568 0.573 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.205 -2.629 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.476 -3.166 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.365 -4.545 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.546 -4.522 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.161 -1.538 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.209 -2.816 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.813 -1.716 1.997 1.00 0.00 H new ATOM 793 N VAL A 52 1.291 -6.410 2.646 1.00 0.00 N ATOM 794 CA VAL A 52 2.138 -7.038 3.655 1.00 0.00 C ATOM 795 C VAL A 52 3.436 -6.262 3.861 1.00 0.00 C ATOM 796 O VAL A 52 4.320 -6.275 3.005 1.00 0.00 O ATOM 797 CB VAL A 52 2.491 -8.487 3.267 1.00 0.00 C ATOM 798 CG1 VAL A 52 2.903 -9.295 4.489 1.00 0.00 C ATOM 799 CG2 VAL A 52 1.328 -9.156 2.547 1.00 0.00 C ATOM 0 H VAL A 52 1.752 -6.241 1.752 1.00 0.00 H new ATOM 0 HA VAL A 52 1.565 -7.036 4.582 1.00 0.00 H new ATOM 0 HB VAL A 52 3.339 -8.452 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.147 -10.313 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.776 -8.835 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.082 -9.316 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.602 -10.178 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.456 -9.171 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.092 -8.599 1.640 1.00 0.00 H new ATOM 809 N VAL A 53 3.547 -5.602 5.007 1.00 0.00 N ATOM 810 CA VAL A 53 4.744 -4.835 5.336 1.00 0.00 C ATOM 811 C VAL A 53 5.654 -5.643 6.253 1.00 0.00 C ATOM 812 O VAL A 53 5.320 -5.912 7.407 1.00 0.00 O ATOM 813 CB VAL A 53 4.392 -3.485 6.000 1.00 0.00 C ATOM 814 CG1 VAL A 53 3.318 -3.668 7.062 1.00 0.00 C ATOM 815 CG2 VAL A 53 5.626 -2.813 6.594 1.00 0.00 C ATOM 0 H VAL A 53 2.823 -5.582 5.725 1.00 0.00 H new ATOM 0 HA VAL A 53 5.266 -4.624 4.403 1.00 0.00 H new ATOM 0 HB VAL A 53 4.000 -2.830 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.087 -2.704 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.419 -4.078 6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.678 -4.353 7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.340 -1.866 7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.066 -3.463 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.355 -2.628 5.805 1.00 0.00 H new ATOM 825 N GLN A 54 6.802 -6.036 5.718 1.00 0.00 N ATOM 826 CA GLN A 54 7.771 -6.829 6.470 1.00 0.00 C ATOM 827 C GLN A 54 9.155 -6.187 6.440 1.00 0.00 C ATOM 828 O GLN A 54 9.552 -5.595 5.437 1.00 0.00 O ATOM 829 CB GLN A 54 7.840 -8.251 5.908 1.00 0.00 C ATOM 830 CG GLN A 54 7.284 -9.305 6.853 1.00 0.00 C ATOM 831 CD GLN A 54 7.407 -10.710 6.297 1.00 0.00 C ATOM 832 OE1 GLN A 54 6.695 -11.086 5.365 1.00 0.00 O ATOM 833 NE2 GLN A 54 8.311 -11.496 6.868 1.00 0.00 N ATOM 0 H GLN A 54 7.088 -5.819 4.763 1.00 0.00 H new ATOM 0 HA GLN A 54 7.439 -6.869 7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.288 -8.289 4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.878 -8.492 5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.811 -9.248 7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.235 -9.089 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.880 -11.144 7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.437 -12.453 6.537 1.00 0.00 H new ATOM 842 N ILE A 55 9.884 -6.311 7.545 1.00 0.00 N ATOM 843 CA ILE A 55 11.222 -5.741 7.644 1.00 0.00 C ATOM 844 C ILE A 55 12.297 -6.803 7.420 1.00 0.00 C ATOM 845 O ILE A 55 12.238 -7.892 7.991 1.00 0.00 O ATOM 846 CB ILE A 55 11.444 -5.037 9.009 1.00 0.00 C ATOM 847 CG1 ILE A 55 11.863 -6.036 10.093 1.00 0.00 C ATOM 848 CG2 ILE A 55 10.183 -4.300 9.440 1.00 0.00 C ATOM 849 CD1 ILE A 55 10.803 -7.068 10.409 1.00 0.00 C ATOM 0 H ILE A 55 9.571 -6.801 8.383 1.00 0.00 H new ATOM 0 HA ILE A 55 11.306 -4.992 6.857 1.00 0.00 H new ATOM 0 HB ILE A 55 12.252 -4.317 8.881 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.771 -6.547 9.773 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.109 -5.489 11.003 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.357 -3.812 10.399 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.927 -3.549 8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.362 -5.010 9.538 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.170 -7.741 11.184 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.901 -6.567 10.760 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.574 -7.641 9.511 1.00 0.00 H new ATOM 861 N THR A 56 13.279 -6.474 6.586 1.00 0.00 N ATOM 862 CA THR A 56 14.368 -7.395 6.285 1.00 0.00 C ATOM 863 C THR A 56 15.716 -6.770 6.629 1.00 0.00 C ATOM 864 O THR A 56 16.213 -5.906 5.907 1.00 0.00 O ATOM 865 CB THR A 56 14.338 -7.787 4.807 1.00 0.00 C ATOM 866 OG1 THR A 56 13.005 -7.982 4.368 1.00 0.00 O ATOM 867 CG2 THR A 56 15.109 -9.055 4.508 1.00 0.00 C ATOM 0 H THR A 56 13.342 -5.576 6.107 1.00 0.00 H new ATOM 0 HA THR A 56 14.235 -8.289 6.894 1.00 0.00 H new ATOM 0 HB THR A 56 14.812 -6.960 4.279 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.006 -8.230 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.047 -9.276 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.153 -8.921 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.683 -9.882 5.075 1.00 0.00 H new ATOM 875 N GLU A 57 16.302 -7.213 7.734 1.00 0.00 N ATOM 876 CA GLU A 57 17.594 -6.698 8.175 1.00 0.00 C ATOM 877 C GLU A 57 18.736 -7.544 7.621 1.00 0.00 C ATOM 878 O GLU A 57 19.547 -7.067 6.828 1.00 0.00 O ATOM 879 CB GLU A 57 17.661 -6.668 9.703 1.00 0.00 C ATOM 880 CG GLU A 57 16.468 -5.983 10.350 1.00 0.00 C ATOM 881 CD GLU A 57 16.292 -6.373 11.805 1.00 0.00 C ATOM 882 OE1 GLU A 57 16.528 -7.554 12.136 1.00 0.00 O ATOM 883 OE2 GLU A 57 15.916 -5.498 12.613 1.00 0.00 O ATOM 0 H GLU A 57 15.904 -7.928 8.342 1.00 0.00 H new ATOM 0 HA GLU A 57 17.700 -5.682 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.729 -7.690 10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 57 18.573 -6.156 10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.592 -4.902 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.564 -6.237 9.797 1.00 0.00 H new ATOM 890 N THR A 58 18.792 -8.802 8.045 1.00 0.00 N ATOM 891 CA THR A 58 19.835 -9.715 7.592 1.00 0.00 C ATOM 892 C THR A 58 19.672 -10.037 6.110 1.00 0.00 C ATOM 893 O THR A 58 20.592 -9.837 5.317 1.00 0.00 O ATOM 894 CB THR A 58 19.803 -11.006 8.411 1.00 0.00 C ATOM 895 OG1 THR A 58 19.906 -10.725 9.796 1.00 0.00 O ATOM 896 CG2 THR A 58 20.915 -11.970 8.055 1.00 0.00 C ATOM 0 H THR A 58 18.128 -9.212 8.701 1.00 0.00 H new ATOM 0 HA THR A 58 20.798 -9.225 7.735 1.00 0.00 H new ATOM 0 HB THR A 58 18.848 -11.474 8.173 1.00 0.00 H new ATOM 0 HG1 THR A 58 19.882 -11.564 10.303 1.00 0.00 H new ATOM 0 HG21 THR A 58 20.833 -12.864 8.673 1.00 0.00 H new ATOM 0 HG22 THR A 58 20.834 -12.247 7.004 1.00 0.00 H new ATOM 0 HG23 THR A 58 21.880 -11.494 8.231 1.00 0.00 H new ATOM 904 N GLY A 59 18.496 -10.536 5.743 1.00 0.00 N ATOM 905 CA GLY A 59 18.235 -10.878 4.358 1.00 0.00 C ATOM 906 C GLY A 59 17.628 -12.258 4.206 1.00 0.00 C ATOM 907 O GLY A 59 18.348 -13.255 4.129 1.00 0.00 O ATOM 0 H GLY A 59 17.719 -10.709 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.561 -10.139 3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 59 19.166 -10.830 3.793 1.00 0.00 H new ATOM 911 N SER A 60 16.301 -12.318 4.163 1.00 0.00 N ATOM 912 CA SER A 60 15.598 -13.587 4.020 1.00 0.00 C ATOM 913 C SER A 60 15.348 -13.910 2.550 1.00 0.00 C ATOM 914 O SER A 60 15.401 -13.027 1.693 1.00 0.00 O ATOM 915 CB SER A 60 14.269 -13.547 4.777 1.00 0.00 C ATOM 916 OG SER A 60 13.788 -14.854 5.036 1.00 0.00 O ATOM 0 H SER A 60 15.691 -11.503 4.225 1.00 0.00 H new ATOM 0 HA SER A 60 16.227 -14.370 4.444 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.399 -13.011 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.532 -12.994 4.195 1.00 0.00 H new ATOM 0 HG SER A 60 12.939 -14.800 5.522 1.00 0.00 H new ATOM 922 N GLN A 61 15.075 -15.179 2.267 1.00 0.00 N ATOM 923 CA GLN A 61 14.816 -15.620 0.901 1.00 0.00 C ATOM 924 C GLN A 61 13.876 -16.820 0.886 1.00 0.00 C ATOM 925 O GLN A 61 12.912 -16.858 0.122 1.00 0.00 O ATOM 926 CB GLN A 61 16.128 -15.975 0.200 1.00 0.00 C ATOM 927 CG GLN A 61 15.946 -16.415 -1.244 1.00 0.00 C ATOM 928 CD GLN A 61 17.134 -16.058 -2.116 1.00 0.00 C ATOM 929 OE1 GLN A 61 17.394 -14.884 -2.381 1.00 0.00 O ATOM 930 NE2 GLN A 61 17.864 -17.073 -2.566 1.00 0.00 N ATOM 0 H GLN A 61 15.027 -15.921 2.966 1.00 0.00 H new ATOM 0 HA GLN A 61 14.337 -14.800 0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.790 -15.110 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.623 -16.772 0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.789 -17.493 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.048 -15.950 -1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.612 -18.031 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 61 18.677 -16.895 -3.156 1.00 0.00 H new ATOM 939 N GLU A 62 14.162 -17.800 1.737 1.00 0.00 N ATOM 940 CA GLU A 62 13.343 -19.002 1.823 1.00 0.00 C ATOM 941 C GLU A 62 13.540 -19.699 3.167 1.00 0.00 C ATOM 942 O GLU A 62 14.311 -19.238 4.009 1.00 0.00 O ATOM 943 CB GLU A 62 13.686 -19.961 0.679 1.00 0.00 C ATOM 944 CG GLU A 62 12.555 -20.142 -0.321 1.00 0.00 C ATOM 945 CD GLU A 62 12.489 -21.551 -0.877 1.00 0.00 C ATOM 946 OE1 GLU A 62 13.539 -22.227 -0.909 1.00 0.00 O ATOM 947 OE2 GLU A 62 11.386 -21.978 -1.280 1.00 0.00 O ATOM 0 H GLU A 62 14.956 -17.784 2.377 1.00 0.00 H new ATOM 0 HA GLU A 62 12.297 -18.707 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.567 -19.589 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.950 -20.933 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.607 -19.900 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.684 -19.437 -1.142 1.00 0.00 H new ATOM 954 N GLY A 63 12.838 -20.810 3.360 1.00 0.00 N ATOM 955 CA GLY A 63 12.949 -21.550 4.603 1.00 0.00 C ATOM 956 C GLY A 63 12.733 -23.038 4.414 1.00 0.00 C ATOM 957 O GLY A 63 13.666 -23.830 4.552 1.00 0.00 O ATOM 0 H GLY A 63 12.194 -21.211 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.935 -21.381 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.219 -21.168 5.316 1.00 0.00 H new ATOM 961 N GLY A 64 11.501 -23.420 4.098 1.00 0.00 N ATOM 962 CA GLY A 64 11.187 -24.822 3.895 1.00 0.00 C ATOM 963 C GLY A 64 11.213 -25.616 5.186 1.00 0.00 C ATOM 964 O GLY A 64 11.480 -26.817 5.179 1.00 0.00 O ATOM 0 H GLY A 64 10.713 -22.783 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.200 -24.908 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.901 -25.253 3.193 1.00 0.00 H new ATOM 968 N GLU A 65 10.935 -24.942 6.297 1.00 0.00 N ATOM 969 CA GLU A 65 10.927 -25.592 7.603 1.00 0.00 C ATOM 970 C GLU A 65 9.745 -26.547 7.728 1.00 0.00 C ATOM 971 O GLU A 65 8.731 -26.219 8.343 1.00 0.00 O ATOM 972 CB GLU A 65 10.871 -24.544 8.716 1.00 0.00 C ATOM 973 CG GLU A 65 12.146 -23.727 8.848 1.00 0.00 C ATOM 974 CD GLU A 65 11.908 -22.238 8.675 1.00 0.00 C ATOM 975 OE1 GLU A 65 11.201 -21.649 9.519 1.00 0.00 O ATOM 976 OE2 GLU A 65 12.429 -21.664 7.697 1.00 0.00 O ATOM 0 H GLU A 65 10.712 -23.947 6.319 1.00 0.00 H new ATOM 0 HA GLU A 65 11.847 -26.168 7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.036 -23.870 8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.670 -25.043 9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.589 -23.909 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.868 -24.064 8.104 1.00 0.00 H new ATOM 983 N GLY A 66 9.884 -27.732 7.141 1.00 0.00 N ATOM 984 CA GLY A 66 8.821 -28.717 7.199 1.00 0.00 C ATOM 985 C GLY A 66 7.799 -28.532 6.095 1.00 0.00 C ATOM 986 O GLY A 66 7.685 -27.450 5.519 1.00 0.00 O ATOM 0 H GLY A 66 10.714 -28.027 6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.251 -29.716 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.322 -28.653 8.166 1.00 0.00 H new ATOM 990 N LEU A 67 7.052 -29.591 5.798 1.00 0.00 N ATOM 991 CA LEU A 67 6.034 -29.541 4.756 1.00 0.00 C ATOM 992 C LEU A 67 4.911 -28.584 5.138 1.00 0.00 C ATOM 993 O LEU A 67 4.296 -27.956 4.275 1.00 0.00 O ATOM 994 CB LEU A 67 5.466 -30.939 4.502 1.00 0.00 C ATOM 995 CG LEU A 67 6.204 -31.755 3.438 1.00 0.00 C ATOM 996 CD1 LEU A 67 5.996 -31.147 2.060 1.00 0.00 C ATOM 997 CD2 LEU A 67 7.687 -31.841 3.767 1.00 0.00 C ATOM 0 H LEU A 67 7.133 -30.494 6.265 1.00 0.00 H new ATOM 0 HA LEU A 67 6.502 -29.175 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.479 -31.496 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.422 -30.842 4.204 1.00 0.00 H new ATOM 0 HG LEU A 67 5.794 -32.765 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.528 -31.740 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.932 -31.138 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.379 -30.126 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.197 -32.425 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.111 -30.837 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.817 -32.323 4.736 1.00 0.00 H new ATOM 1009 N SER A 68 4.646 -28.478 6.436 1.00 0.00 N ATOM 1010 CA SER A 68 3.596 -27.595 6.932 1.00 0.00 C ATOM 1011 C SER A 68 3.949 -26.133 6.681 1.00 0.00 C ATOM 1012 O SER A 68 4.542 -25.472 7.533 1.00 0.00 O ATOM 1013 CB SER A 68 3.371 -27.828 8.427 1.00 0.00 C ATOM 1014 OG SER A 68 3.831 -29.110 8.820 1.00 0.00 O ATOM 0 H SER A 68 5.143 -28.992 7.163 1.00 0.00 H new ATOM 0 HA SER A 68 2.677 -27.825 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.891 -27.060 9.000 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.310 -27.733 8.657 1.00 0.00 H new ATOM 0 HG SER A 68 3.677 -29.233 9.780 1.00 0.00 H new ATOM 1020 N LYS A 69 3.582 -25.633 5.505 1.00 0.00 N ATOM 1021 CA LYS A 69 3.860 -24.249 5.141 1.00 0.00 C ATOM 1022 C LYS A 69 2.600 -23.538 4.646 1.00 0.00 C ATOM 1023 O LYS A 69 2.665 -22.401 4.179 1.00 0.00 O ATOM 1024 CB LYS A 69 4.945 -24.192 4.065 1.00 0.00 C ATOM 1025 CG LYS A 69 5.709 -22.879 4.039 1.00 0.00 C ATOM 1026 CD LYS A 69 6.161 -22.524 2.632 1.00 0.00 C ATOM 1027 CE LYS A 69 6.366 -21.027 2.473 1.00 0.00 C ATOM 1028 NZ LYS A 69 7.237 -20.706 1.309 1.00 0.00 N ATOM 0 H LYS A 69 3.091 -26.167 4.788 1.00 0.00 H new ATOM 0 HA LYS A 69 4.211 -23.735 6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.649 -25.009 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.486 -24.355 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.077 -22.082 4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.577 -22.949 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.091 -23.046 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.418 -22.869 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.399 -20.540 2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.812 -20.623 3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.352 -19.675 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.168 -21.150 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.800 -21.069 0.438 1.00 0.00 H new ATOM 1042 N GLU A 70 1.455 -24.211 4.751 1.00 0.00 N ATOM 1043 CA GLU A 70 0.189 -23.635 4.312 1.00 0.00 C ATOM 1044 C GLU A 70 0.231 -23.294 2.824 1.00 0.00 C ATOM 1045 O GLU A 70 1.305 -23.149 2.241 1.00 0.00 O ATOM 1046 CB GLU A 70 -0.134 -22.380 5.126 1.00 0.00 C ATOM 1047 CG GLU A 70 -0.591 -22.676 6.545 1.00 0.00 C ATOM 1048 CD GLU A 70 -0.281 -21.544 7.505 1.00 0.00 C ATOM 1049 OE1 GLU A 70 0.911 -21.205 7.659 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -1.233 -20.996 8.102 1.00 0.00 O ATOM 0 H GLU A 70 1.380 -25.153 5.135 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.594 -24.376 4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.750 -21.744 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.912 -21.815 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.665 -22.864 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.108 -23.588 6.896 1.00 0.00 H new ATOM 1057 N PRO A 71 -0.946 -23.161 2.187 1.00 0.00 N ATOM 1058 CA PRO A 71 -1.039 -22.836 0.760 1.00 0.00 C ATOM 1059 C PRO A 71 -0.259 -21.576 0.402 1.00 0.00 C ATOM 1060 O PRO A 71 -0.462 -20.518 0.998 1.00 0.00 O ATOM 1061 CB PRO A 71 -2.538 -22.616 0.538 1.00 0.00 C ATOM 1062 CG PRO A 71 -3.201 -23.389 1.626 1.00 0.00 C ATOM 1063 CD PRO A 71 -2.275 -23.317 2.807 1.00 0.00 C ATOM 0 HA PRO A 71 -0.614 -23.623 0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.795 -21.558 0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.849 -22.970 -0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.176 -22.965 1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.369 -24.423 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.517 -22.476 3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.331 -24.218 3.417 1.00 0.00 H new ATOM 1071 N ALA A 72 0.634 -21.696 -0.575 1.00 0.00 N ATOM 1072 CA ALA A 72 1.443 -20.566 -1.013 1.00 0.00 C ATOM 1073 C ALA A 72 2.163 -20.880 -2.320 1.00 0.00 C ATOM 1074 O ALA A 72 2.134 -20.087 -3.262 1.00 0.00 O ATOM 1075 CB ALA A 72 2.447 -20.188 0.066 1.00 0.00 C ATOM 0 H ALA A 72 0.815 -22.565 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 72 0.778 -19.721 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.045 -19.342 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.916 -19.914 0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.100 -21.037 0.268 1.00 0.00 H new ATOM 1081 N GLY A 73 2.808 -22.041 -2.369 1.00 0.00 N ATOM 1082 CA GLY A 73 3.526 -22.438 -3.565 1.00 0.00 C ATOM 1083 C GLY A 73 2.774 -23.477 -4.375 1.00 0.00 C ATOM 1084 O GLY A 73 3.117 -24.659 -4.352 1.00 0.00 O ATOM 0 H GLY A 73 2.846 -22.713 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.707 -21.560 -4.185 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.501 -22.836 -3.284 1.00 0.00 H new ATOM 1088 N SER A 74 1.747 -23.034 -5.092 1.00 0.00 N ATOM 1089 CA SER A 74 0.944 -23.933 -5.913 1.00 0.00 C ATOM 1090 C SER A 74 1.415 -23.910 -7.364 1.00 0.00 C ATOM 1091 O SER A 74 0.603 -23.877 -8.290 1.00 0.00 O ATOM 1092 CB SER A 74 -0.534 -23.544 -5.835 1.00 0.00 C ATOM 1093 OG SER A 74 -1.172 -24.176 -4.740 1.00 0.00 O ATOM 0 H SER A 74 1.451 -22.058 -5.121 1.00 0.00 H new ATOM 0 HA SER A 74 1.066 -24.945 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.623 -22.462 -5.737 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.036 -23.822 -6.762 1.00 0.00 H new ATOM 0 HG SER A 74 -2.115 -23.909 -4.712 1.00 0.00 H new ATOM 1099 N ASP A 75 2.729 -23.926 -7.554 1.00 0.00 N ATOM 1100 CA ASP A 75 3.309 -23.907 -8.893 1.00 0.00 C ATOM 1101 C ASP A 75 2.917 -22.633 -9.636 1.00 0.00 C ATOM 1102 O ASP A 75 1.792 -22.505 -10.119 1.00 0.00 O ATOM 1103 CB ASP A 75 2.857 -25.135 -9.685 1.00 0.00 C ATOM 1104 CG ASP A 75 3.936 -26.197 -9.770 1.00 0.00 C ATOM 1105 OD1 ASP A 75 5.061 -25.867 -10.199 1.00 0.00 O ATOM 1106 OD2 ASP A 75 3.656 -27.359 -9.407 1.00 0.00 O ATOM 0 H ASP A 75 3.414 -23.952 -6.798 1.00 0.00 H new ATOM 0 HA ASP A 75 4.394 -23.929 -8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.969 -25.560 -9.216 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.571 -24.830 -10.692 1.00 0.00 H new ATOM 1111 N GLU A 76 3.853 -21.694 -9.724 1.00 0.00 N ATOM 1112 CA GLU A 76 3.606 -20.429 -10.407 1.00 0.00 C ATOM 1113 C GLU A 76 3.649 -20.611 -11.920 1.00 0.00 C ATOM 1114 O GLU A 76 4.713 -20.832 -12.499 1.00 0.00 O ATOM 1115 CB GLU A 76 4.638 -19.385 -9.978 1.00 0.00 C ATOM 1116 CG GLU A 76 4.729 -19.203 -8.471 1.00 0.00 C ATOM 1117 CD GLU A 76 6.162 -19.128 -7.980 1.00 0.00 C ATOM 1118 OE1 GLU A 76 6.899 -20.122 -8.144 1.00 0.00 O ATOM 1119 OE2 GLU A 76 6.546 -18.074 -7.430 1.00 0.00 O ATOM 0 H GLU A 76 4.790 -21.785 -9.331 1.00 0.00 H new ATOM 0 HA GLU A 76 2.611 -20.082 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.617 -19.675 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.387 -18.429 -10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.203 -18.292 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.222 -20.032 -7.977 1.00 0.00 H new ATOM 1126 N GLN A 77 2.486 -20.517 -12.557 1.00 0.00 N ATOM 1127 CA GLN A 77 2.390 -20.670 -14.003 1.00 0.00 C ATOM 1128 C GLN A 77 2.037 -19.344 -14.669 1.00 0.00 C ATOM 1129 O GLN A 77 1.048 -18.703 -14.310 1.00 0.00 O ATOM 1130 CB GLN A 77 1.343 -21.728 -14.358 1.00 0.00 C ATOM 1131 CG GLN A 77 -0.027 -21.449 -13.764 1.00 0.00 C ATOM 1132 CD GLN A 77 -1.030 -22.542 -14.076 1.00 0.00 C ATOM 1133 OE1 GLN A 77 -0.884 -23.680 -13.630 1.00 0.00 O ATOM 1134 NE2 GLN A 77 -2.057 -22.201 -14.846 1.00 0.00 N ATOM 0 H GLN A 77 1.596 -20.335 -12.093 1.00 0.00 H new ATOM 0 HA GLN A 77 3.363 -20.994 -14.373 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.254 -21.790 -15.443 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.689 -22.701 -14.010 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.064 -21.342 -12.683 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.399 -20.499 -14.148 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.139 -21.246 -15.194 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.764 -22.894 -15.089 1.00 0.00 H new ATOM 1143 N LYS A 78 2.849 -18.939 -15.639 1.00 0.00 N ATOM 1144 CA LYS A 78 2.622 -17.688 -16.354 1.00 0.00 C ATOM 1145 C LYS A 78 3.253 -17.734 -17.742 1.00 0.00 C ATOM 1146 O LYS A 78 4.365 -17.248 -17.945 1.00 0.00 O ATOM 1147 CB LYS A 78 3.189 -16.511 -15.558 1.00 0.00 C ATOM 1148 CG LYS A 78 2.313 -15.269 -15.601 1.00 0.00 C ATOM 1149 CD LYS A 78 2.395 -14.486 -14.301 1.00 0.00 C ATOM 1150 CE LYS A 78 1.874 -13.067 -14.471 1.00 0.00 C ATOM 1151 NZ LYS A 78 1.764 -12.357 -13.168 1.00 0.00 N ATOM 0 H LYS A 78 3.670 -19.459 -15.949 1.00 0.00 H new ATOM 0 HA LYS A 78 1.547 -17.553 -16.469 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.322 -16.816 -14.520 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.177 -16.263 -15.947 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.622 -14.633 -16.430 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.279 -15.558 -15.789 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.818 -14.997 -13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.429 -14.456 -13.958 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.540 -12.512 -15.132 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.897 -13.094 -14.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.406 -11.394 -13.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.109 -12.872 -12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.701 -12.308 -12.719 1.00 0.00 H new ATOM 1165 N GLN A 79 2.537 -18.323 -18.694 1.00 0.00 N ATOM 1166 CA GLN A 79 3.026 -18.432 -20.062 1.00 0.00 C ATOM 1167 C GLN A 79 2.670 -17.189 -20.871 1.00 0.00 C ATOM 1168 O GLN A 79 1.519 -17.004 -21.267 1.00 0.00 O ATOM 1169 CB GLN A 79 2.446 -19.678 -20.736 1.00 0.00 C ATOM 1170 CG GLN A 79 3.401 -20.342 -21.714 1.00 0.00 C ATOM 1171 CD GLN A 79 2.679 -21.070 -22.831 1.00 0.00 C ATOM 1172 OE1 GLN A 79 2.687 -22.300 -22.893 1.00 0.00 O ATOM 1173 NE2 GLN A 79 2.050 -20.312 -23.721 1.00 0.00 N ATOM 0 H GLN A 79 1.615 -18.732 -18.542 1.00 0.00 H new ATOM 0 HA GLN A 79 4.112 -18.519 -20.026 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.166 -20.399 -19.968 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.532 -19.403 -21.263 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.059 -19.586 -22.144 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.034 -21.047 -21.176 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.070 -19.296 -23.631 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.547 -20.745 -24.495 1.00 0.00 H new ATOM 1182 N LEU A 80 3.664 -16.340 -21.110 1.00 0.00 N ATOM 1183 CA LEU A 80 3.455 -15.115 -21.872 1.00 0.00 C ATOM 1184 C LEU A 80 4.771 -14.370 -22.077 1.00 0.00 C ATOM 1185 O LEU A 80 5.488 -14.082 -21.119 1.00 0.00 O ATOM 1186 CB LEU A 80 2.450 -14.210 -21.157 1.00 0.00 C ATOM 1187 CG LEU A 80 2.795 -13.881 -19.703 1.00 0.00 C ATOM 1188 CD1 LEU A 80 3.546 -12.562 -19.618 1.00 0.00 C ATOM 1189 CD2 LEU A 80 1.533 -13.833 -18.853 1.00 0.00 C ATOM 0 H LEU A 80 4.622 -16.478 -20.787 1.00 0.00 H new ATOM 0 HA LEU A 80 3.057 -15.388 -22.849 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.364 -13.277 -21.714 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.471 -14.688 -21.183 1.00 0.00 H new ATOM 0 HG LEU A 80 3.441 -14.669 -19.316 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.783 -12.345 -18.576 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.469 -12.631 -20.193 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.925 -11.763 -20.023 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.797 -13.598 -17.822 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.863 -13.065 -19.240 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.034 -14.801 -18.888 1.00 0.00 H new ATOM 1201 N ARG A 81 5.081 -14.061 -23.332 1.00 0.00 N ATOM 1202 CA ARG A 81 6.310 -13.349 -23.662 1.00 0.00 C ATOM 1203 C ARG A 81 6.039 -11.863 -23.872 1.00 0.00 C ATOM 1204 O ARG A 81 4.937 -11.472 -24.253 1.00 0.00 O ATOM 1205 CB ARG A 81 6.948 -13.948 -24.917 1.00 0.00 C ATOM 1206 CG ARG A 81 7.930 -15.071 -24.625 1.00 0.00 C ATOM 1207 CD ARG A 81 9.102 -15.055 -25.594 1.00 0.00 C ATOM 1208 NE ARG A 81 9.357 -16.374 -26.167 1.00 0.00 N ATOM 1209 CZ ARG A 81 10.066 -16.577 -27.275 1.00 0.00 C ATOM 1210 NH1 ARG A 81 10.594 -15.551 -27.931 1.00 0.00 N ATOM 1211 NH2 ARG A 81 10.249 -17.810 -27.728 1.00 0.00 N ATOM 0 H ARG A 81 4.498 -14.292 -24.137 1.00 0.00 H new ATOM 0 HA ARG A 81 7.000 -13.457 -22.825 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.161 -14.326 -25.569 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.464 -13.159 -25.464 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.300 -14.976 -23.604 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.417 -16.030 -24.690 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.900 -14.345 -26.396 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.995 -14.706 -25.076 1.00 0.00 H new ATOM 0 HE ARG A 81 8.969 -17.188 -25.690 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.457 -14.601 -27.587 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.136 -15.713 -28.780 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.846 -18.602 -27.227 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.792 -17.966 -28.577 1.00 0.00 H new ATOM 1225 N ALA A 82 7.053 -11.041 -23.621 1.00 0.00 N ATOM 1226 CA ALA A 82 6.923 -9.599 -23.781 1.00 0.00 C ATOM 1227 C ALA A 82 7.223 -9.176 -25.215 1.00 0.00 C ATOM 1228 O ALA A 82 7.909 -9.886 -25.952 1.00 0.00 O ATOM 1229 CB ALA A 82 7.847 -8.875 -22.813 1.00 0.00 C ATOM 0 H ALA A 82 7.973 -11.350 -23.306 1.00 0.00 H new ATOM 0 HA ALA A 82 5.892 -9.326 -23.557 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.739 -7.798 -22.944 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.585 -9.144 -21.790 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.879 -9.163 -23.011 1.00 0.00 H new ATOM 1235 N ASP A 83 6.706 -8.016 -25.606 1.00 0.00 N ATOM 1236 CA ASP A 83 6.920 -7.497 -26.953 1.00 0.00 C ATOM 1237 C ASP A 83 6.249 -6.135 -27.125 1.00 0.00 C ATOM 1238 O ASP A 83 6.919 -5.135 -27.385 1.00 0.00 O ATOM 1239 CB ASP A 83 6.382 -8.483 -27.995 1.00 0.00 C ATOM 1240 CG ASP A 83 7.473 -9.016 -28.904 1.00 0.00 C ATOM 1241 OD1 ASP A 83 8.412 -9.661 -28.389 1.00 0.00 O ATOM 1242 OD2 ASP A 83 7.390 -8.788 -30.129 1.00 0.00 O ATOM 0 H ASP A 83 6.136 -7.417 -25.009 1.00 0.00 H new ATOM 0 HA ASP A 83 7.993 -7.374 -27.102 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.897 -9.316 -27.486 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.619 -7.990 -28.598 1.00 0.00 H new ATOM 1247 N PRO A 84 4.913 -6.076 -26.980 1.00 0.00 N ATOM 1248 CA PRO A 84 4.159 -4.827 -27.123 1.00 0.00 C ATOM 1249 C PRO A 84 4.376 -3.879 -25.944 1.00 0.00 C ATOM 1250 O PRO A 84 3.914 -4.145 -24.834 1.00 0.00 O ATOM 1251 CB PRO A 84 2.704 -5.298 -27.165 1.00 0.00 C ATOM 1252 CG PRO A 84 2.701 -6.579 -26.405 1.00 0.00 C ATOM 1253 CD PRO A 84 4.035 -7.221 -26.670 1.00 0.00 C ATOM 0 HA PRO A 84 4.467 -4.263 -28.003 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.037 -4.566 -26.710 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.364 -5.445 -28.190 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.559 -6.400 -25.339 1.00 0.00 H new ATOM 0 HG3 PRO A 84 1.886 -7.224 -26.731 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.392 -7.777 -25.803 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.984 -7.924 -27.501 1.00 0.00 H new ATOM 1261 N PRO A 85 5.084 -2.756 -26.166 1.00 0.00 N ATOM 1262 CA PRO A 85 5.354 -1.775 -25.110 1.00 0.00 C ATOM 1263 C PRO A 85 4.095 -1.031 -24.675 1.00 0.00 C ATOM 1264 O PRO A 85 3.027 -1.206 -25.259 1.00 0.00 O ATOM 1265 CB PRO A 85 6.346 -0.810 -25.762 1.00 0.00 C ATOM 1266 CG PRO A 85 6.081 -0.925 -27.223 1.00 0.00 C ATOM 1267 CD PRO A 85 5.673 -2.353 -27.457 1.00 0.00 C ATOM 0 HA PRO A 85 5.734 -2.248 -24.204 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.194 0.211 -25.411 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.375 -1.079 -25.524 1.00 0.00 H new ATOM 0 HG2 PRO A 85 5.293 -0.238 -27.532 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.969 -0.673 -27.802 1.00 0.00 H new ATOM 0 HD2 PRO A 85 4.953 -2.437 -28.271 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.527 -2.977 -27.721 1.00 0.00 H new ATOM 1275 N SER A 86 4.230 -0.200 -23.647 1.00 0.00 N ATOM 1276 CA SER A 86 3.103 0.571 -23.135 1.00 0.00 C ATOM 1277 C SER A 86 3.584 1.828 -22.416 1.00 0.00 C ATOM 1278 O SER A 86 4.422 1.758 -21.516 1.00 0.00 O ATOM 1279 CB SER A 86 2.264 -0.283 -22.183 1.00 0.00 C ATOM 1280 OG SER A 86 1.492 -1.234 -22.898 1.00 0.00 O ATOM 0 H SER A 86 5.108 -0.043 -23.152 1.00 0.00 H new ATOM 0 HA SER A 86 2.487 0.872 -23.983 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.918 -0.796 -21.478 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.606 0.359 -21.598 1.00 0.00 H new ATOM 0 HG SER A 86 1.791 -1.263 -23.831 1.00 0.00 H new ATOM 1286 N THR A 87 3.051 2.976 -22.820 1.00 0.00 N ATOM 1287 CA THR A 87 3.426 4.249 -22.215 1.00 0.00 C ATOM 1288 C THR A 87 2.256 5.227 -22.236 1.00 0.00 C ATOM 1289 O THR A 87 1.660 5.520 -21.198 1.00 0.00 O ATOM 1290 CB THR A 87 4.629 4.854 -22.946 1.00 0.00 C ATOM 1291 OG1 THR A 87 4.930 4.115 -24.117 1.00 0.00 O ATOM 1292 CG2 THR A 87 5.882 4.901 -22.099 1.00 0.00 C ATOM 0 H THR A 87 2.358 3.051 -23.564 1.00 0.00 H new ATOM 0 HA THR A 87 3.700 4.062 -21.177 1.00 0.00 H new ATOM 0 HB THR A 87 4.335 5.875 -23.189 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.891 4.172 -24.302 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.695 5.340 -22.677 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.699 5.507 -21.212 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.156 3.890 -21.798 1.00 0.00 H new ATOM 1300 N ASP A 88 1.928 5.731 -23.422 1.00 0.00 N ATOM 1301 CA ASP A 88 0.827 6.675 -23.572 1.00 0.00 C ATOM 1302 C ASP A 88 0.569 6.983 -25.043 1.00 0.00 C ATOM 1303 O ASP A 88 -0.569 6.919 -25.509 1.00 0.00 O ATOM 1304 CB ASP A 88 1.130 7.968 -22.813 1.00 0.00 C ATOM 1305 CG ASP A 88 2.517 8.503 -23.113 1.00 0.00 C ATOM 1306 OD1 ASP A 88 3.481 8.054 -22.458 1.00 0.00 O ATOM 1307 OD2 ASP A 88 2.639 9.370 -24.003 1.00 0.00 O ATOM 0 H ASP A 88 2.409 5.501 -24.292 1.00 0.00 H new ATOM 0 HA ASP A 88 -0.070 6.218 -23.154 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.388 8.722 -23.075 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.037 7.788 -21.742 1.00 0.00 H new ATOM 1312 N LEU A 89 1.629 7.320 -25.770 1.00 0.00 N ATOM 1313 CA LEU A 89 1.512 7.638 -27.189 1.00 0.00 C ATOM 1314 C LEU A 89 2.293 6.639 -28.039 1.00 0.00 C ATOM 1315 O LEU A 89 1.891 6.311 -29.154 1.00 0.00 O ATOM 1316 CB LEU A 89 2.006 9.062 -27.460 1.00 0.00 C ATOM 1317 CG LEU A 89 0.903 10.088 -27.733 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -0.025 9.599 -28.834 1.00 0.00 C ATOM 1319 CD2 LEU A 89 0.118 10.375 -26.461 1.00 0.00 C ATOM 0 H LEU A 89 2.578 7.380 -25.401 1.00 0.00 H new ATOM 0 HA LEU A 89 0.459 7.572 -27.464 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.589 9.397 -26.603 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.681 9.040 -28.316 1.00 0.00 H new ATOM 0 HG LEU A 89 1.371 11.014 -28.067 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.802 10.343 -29.012 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.546 9.444 -29.749 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.486 8.659 -28.531 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.662 11.106 -26.672 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.337 9.453 -26.098 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.790 10.771 -25.700 1.00 0.00 H new ATOM 1331 N ASN A 90 3.415 6.160 -27.506 1.00 0.00 N ATOM 1332 CA ASN A 90 4.255 5.199 -28.217 1.00 0.00 C ATOM 1333 C ASN A 90 3.426 4.040 -28.774 1.00 0.00 C ATOM 1334 O ASN A 90 3.646 3.595 -29.900 1.00 0.00 O ATOM 1335 CB ASN A 90 5.347 4.661 -27.290 1.00 0.00 C ATOM 1336 CG ASN A 90 6.610 5.498 -27.336 1.00 0.00 C ATOM 1337 OD1 ASN A 90 7.015 6.085 -26.333 1.00 0.00 O ATOM 1338 ND2 ASN A 90 7.239 5.558 -28.504 1.00 0.00 N ATOM 0 H ASN A 90 3.764 6.422 -26.584 1.00 0.00 H new ATOM 0 HA ASN A 90 4.719 5.719 -29.055 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.970 4.633 -26.268 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.584 3.635 -27.570 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.094 6.107 -28.595 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.867 5.055 -29.310 1.00 0.00 H new ATOM 1345 N THR A 91 2.478 3.551 -27.978 1.00 0.00 N ATOM 1346 CA THR A 91 1.625 2.440 -28.398 1.00 0.00 C ATOM 1347 C THR A 91 0.786 2.794 -29.633 1.00 0.00 C ATOM 1348 O THR A 91 0.214 1.908 -30.270 1.00 0.00 O ATOM 1349 CB THR A 91 0.704 2.028 -27.249 1.00 0.00 C ATOM 1350 OG1 THR A 91 1.278 2.372 -26.000 1.00 0.00 O ATOM 1351 CG2 THR A 91 0.402 0.546 -27.222 1.00 0.00 C ATOM 0 H THR A 91 2.281 3.904 -27.042 1.00 0.00 H new ATOM 0 HA THR A 91 2.277 1.609 -28.667 1.00 0.00 H new ATOM 0 HB THR A 91 -0.228 2.567 -27.420 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.674 2.102 -25.277 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.256 0.324 -26.382 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.087 0.257 -28.152 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.331 -0.013 -27.112 1.00 0.00 H new ATOM 1359 N PHE A 92 0.716 4.080 -29.974 1.00 0.00 N ATOM 1360 CA PHE A 92 -0.049 4.525 -31.132 1.00 0.00 C ATOM 1361 C PHE A 92 0.898 4.916 -32.267 1.00 0.00 C ATOM 1362 O PHE A 92 1.536 5.967 -32.221 1.00 0.00 O ATOM 1363 CB PHE A 92 -0.946 5.706 -30.739 1.00 0.00 C ATOM 1364 CG PHE A 92 -1.778 5.438 -29.516 1.00 0.00 C ATOM 1365 CD1 PHE A 92 -1.187 5.343 -28.266 1.00 0.00 C ATOM 1366 CD2 PHE A 92 -3.150 5.277 -29.618 1.00 0.00 C ATOM 1367 CE1 PHE A 92 -1.950 5.095 -27.141 1.00 0.00 C ATOM 1368 CE2 PHE A 92 -3.918 5.028 -28.496 1.00 0.00 C ATOM 1369 CZ PHE A 92 -3.317 4.936 -27.256 1.00 0.00 C ATOM 0 H PHE A 92 1.181 4.830 -29.463 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.683 3.710 -31.481 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.324 6.583 -30.562 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.605 5.946 -31.573 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.118 5.464 -28.170 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.625 5.347 -30.585 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.478 5.026 -26.172 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.987 4.906 -28.589 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.915 4.740 -26.378 1.00 0.00 H new ATOM 1379 N THR A 93 0.998 4.049 -33.275 1.00 0.00 N ATOM 1380 CA THR A 93 1.886 4.292 -34.411 1.00 0.00 C ATOM 1381 C THR A 93 1.187 5.067 -35.529 1.00 0.00 C ATOM 1382 O THR A 93 1.292 6.291 -35.599 1.00 0.00 O ATOM 1383 CB THR A 93 2.430 2.966 -34.949 1.00 0.00 C ATOM 1384 OG1 THR A 93 1.372 2.122 -35.367 1.00 0.00 O ATOM 1385 CG2 THR A 93 3.254 2.203 -33.933 1.00 0.00 C ATOM 0 H THR A 93 0.476 3.174 -33.328 1.00 0.00 H new ATOM 0 HA THR A 93 2.713 4.905 -34.054 1.00 0.00 H new ATOM 0 HB THR A 93 3.073 3.235 -35.787 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.740 1.281 -35.709 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.610 1.273 -34.377 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.107 2.809 -33.628 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.639 1.977 -33.062 1.00 0.00 H new ATOM 1393 N VAL A 94 0.487 4.351 -36.408 1.00 0.00 N ATOM 1394 CA VAL A 94 -0.213 4.983 -37.524 1.00 0.00 C ATOM 1395 C VAL A 94 -1.513 4.254 -37.847 1.00 0.00 C ATOM 1396 O VAL A 94 -2.591 4.847 -37.835 1.00 0.00 O ATOM 1397 CB VAL A 94 0.671 5.030 -38.787 1.00 0.00 C ATOM 1398 CG1 VAL A 94 -0.005 5.841 -39.883 1.00 0.00 C ATOM 1399 CG2 VAL A 94 2.040 5.606 -38.457 1.00 0.00 C ATOM 0 H VAL A 94 0.390 3.336 -36.369 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.444 6.002 -37.215 1.00 0.00 H new ATOM 0 HB VAL A 94 0.807 4.012 -39.152 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.634 5.863 -40.766 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.961 5.383 -40.138 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.173 6.859 -39.531 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.651 5.632 -39.359 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.925 6.617 -38.067 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.526 4.982 -37.707 1.00 0.00 H new ATOM 1409 N GLU A 95 -1.400 2.962 -38.123 1.00 0.00 N ATOM 1410 CA GLU A 95 -2.554 2.127 -38.442 1.00 0.00 C ATOM 1411 C GLU A 95 -3.383 1.839 -37.193 1.00 0.00 C ATOM 1412 O GLU A 95 -4.549 1.453 -37.283 1.00 0.00 O ATOM 1413 CB GLU A 95 -2.098 0.814 -39.081 1.00 0.00 C ATOM 1414 CG GLU A 95 -1.233 -0.038 -38.167 1.00 0.00 C ATOM 1415 CD GLU A 95 -0.475 -1.113 -38.920 1.00 0.00 C ATOM 1416 OE1 GLU A 95 -0.077 -0.860 -40.077 1.00 0.00 O ATOM 1417 OE2 GLU A 95 -0.282 -2.209 -38.354 1.00 0.00 O ATOM 0 H GLU A 95 -0.510 2.463 -38.133 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.179 2.671 -39.151 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.976 0.239 -39.377 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.541 1.037 -39.991 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.524 0.602 -37.643 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.862 -0.505 -37.409 1.00 0.00 H new ATOM 1424 N GLN A 96 -2.766 2.015 -36.030 1.00 0.00 N ATOM 1425 CA GLN A 96 -3.425 1.763 -34.759 1.00 0.00 C ATOM 1426 C GLN A 96 -4.276 2.948 -34.352 1.00 0.00 C ATOM 1427 O GLN A 96 -5.194 2.818 -33.545 1.00 0.00 O ATOM 1428 CB GLN A 96 -2.389 1.468 -33.672 1.00 0.00 C ATOM 1429 CG GLN A 96 -1.471 0.305 -34.009 1.00 0.00 C ATOM 1430 CD GLN A 96 -1.966 -1.011 -33.441 1.00 0.00 C ATOM 1431 OE1 GLN A 96 -3.111 -1.405 -33.663 1.00 0.00 O ATOM 1432 NE2 GLN A 96 -1.103 -1.699 -32.702 1.00 0.00 N ATOM 0 H GLN A 96 -1.801 2.334 -35.944 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.072 0.894 -34.878 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.786 2.360 -33.505 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.906 1.253 -32.737 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.382 0.219 -35.092 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.473 0.511 -33.623 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.163 -1.335 -32.544 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.380 -2.591 -32.293 1.00 0.00 H new ATOM 1441 N LEU A 97 -3.970 4.104 -34.918 1.00 0.00 N ATOM 1442 CA LEU A 97 -4.717 5.302 -34.608 1.00 0.00 C ATOM 1443 C LEU A 97 -6.023 5.273 -35.380 1.00 0.00 C ATOM 1444 O LEU A 97 -7.108 5.314 -34.802 1.00 0.00 O ATOM 1445 CB LEU A 97 -3.945 6.579 -34.974 1.00 0.00 C ATOM 1446 CG LEU A 97 -2.444 6.668 -34.629 1.00 0.00 C ATOM 1447 CD1 LEU A 97 -1.833 5.336 -34.218 1.00 0.00 C ATOM 1448 CD2 LEU A 97 -1.700 7.241 -35.818 1.00 0.00 C ATOM 0 H LEU A 97 -3.214 4.234 -35.590 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.894 5.321 -33.533 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.045 6.728 -36.049 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.445 7.417 -34.488 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.349 7.320 -33.761 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.776 5.475 -33.990 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.348 4.957 -33.335 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.937 4.621 -35.034 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.637 7.308 -35.584 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.841 6.592 -36.683 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.085 8.235 -36.044 1.00 0.00 H new ATOM 1460 N LYS A 98 -5.900 5.188 -36.699 1.00 0.00 N ATOM 1461 CA LYS A 98 -7.062 5.140 -37.575 1.00 0.00 C ATOM 1462 C LYS A 98 -8.003 3.996 -37.190 1.00 0.00 C ATOM 1463 O LYS A 98 -9.211 4.084 -37.405 1.00 0.00 O ATOM 1464 CB LYS A 98 -6.618 4.974 -39.029 1.00 0.00 C ATOM 1465 CG LYS A 98 -5.818 3.707 -39.279 1.00 0.00 C ATOM 1466 CD LYS A 98 -4.991 3.811 -40.551 1.00 0.00 C ATOM 1467 CE LYS A 98 -4.028 4.987 -40.497 1.00 0.00 C ATOM 1468 NZ LYS A 98 -2.673 4.618 -40.989 1.00 0.00 N ATOM 0 H LYS A 98 -5.004 5.151 -37.186 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.603 6.080 -37.464 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.499 4.970 -39.671 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.017 5.836 -39.317 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.160 3.518 -38.431 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.496 2.856 -39.353 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.431 2.888 -40.698 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.654 3.922 -41.409 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.422 5.806 -41.098 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.956 5.350 -39.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.119 5.481 -41.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.192 4.034 -40.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.760 4.080 -41.875 1.00 0.00 H new ATOM 1482 N ALA A 99 -7.446 2.919 -36.633 1.00 0.00 N ATOM 1483 CA ALA A 99 -8.253 1.765 -36.241 1.00 0.00 C ATOM 1484 C ALA A 99 -8.857 1.936 -34.860 1.00 0.00 C ATOM 1485 O ALA A 99 -9.939 1.424 -34.572 1.00 0.00 O ATOM 1486 CB ALA A 99 -7.425 0.491 -36.307 1.00 0.00 C ATOM 0 H ALA A 99 -6.448 2.823 -36.445 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.078 1.689 -36.949 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.041 -0.359 -36.012 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.066 0.343 -37.325 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -6.574 0.575 -35.631 1.00 0.00 H new ATOM 1492 N GLN A 100 -8.158 2.662 -34.016 1.00 0.00 N ATOM 1493 CA GLN A 100 -8.625 2.915 -32.659 1.00 0.00 C ATOM 1494 C GLN A 100 -9.541 4.131 -32.623 1.00 0.00 C ATOM 1495 O GLN A 100 -10.352 4.284 -31.709 1.00 0.00 O ATOM 1496 CB GLN A 100 -7.443 3.112 -31.709 1.00 0.00 C ATOM 1497 CG GLN A 100 -6.807 1.809 -31.250 1.00 0.00 C ATOM 1498 CD GLN A 100 -7.025 1.543 -29.773 1.00 0.00 C ATOM 1499 OE1 GLN A 100 -7.923 2.113 -29.153 1.00 0.00 O ATOM 1500 NE2 GLN A 100 -6.200 0.673 -29.201 1.00 0.00 N ATOM 0 H GLN A 100 -7.261 3.092 -34.241 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.193 2.045 -32.329 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.687 3.721 -32.205 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.779 3.670 -30.835 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.220 0.983 -31.829 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.737 1.839 -31.456 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.470 0.224 -29.753 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.297 0.454 -28.210 1.00 0.00 H new ATOM 1509 N LEU A 101 -9.414 4.994 -33.628 1.00 0.00 N ATOM 1510 CA LEU A 101 -10.237 6.190 -33.711 1.00 0.00 C ATOM 1511 C LEU A 101 -11.638 5.836 -34.192 1.00 0.00 C ATOM 1512 O LEU A 101 -12.632 6.344 -33.673 1.00 0.00 O ATOM 1513 CB LEU A 101 -9.602 7.217 -34.653 1.00 0.00 C ATOM 1514 CG LEU A 101 -9.194 8.538 -33.994 1.00 0.00 C ATOM 1515 CD1 LEU A 101 -8.692 9.524 -35.038 1.00 0.00 C ATOM 1516 CD2 LEU A 101 -10.358 9.129 -33.209 1.00 0.00 C ATOM 0 H LEU A 101 -8.749 4.885 -34.394 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.306 6.628 -32.715 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.720 6.770 -35.111 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -10.305 7.432 -35.458 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.381 8.337 -33.296 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.407 10.456 -34.551 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.827 9.103 -35.550 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.482 9.720 -35.763 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.047 10.067 -32.749 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -11.194 9.315 -33.883 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.666 8.429 -32.433 1.00 0.00 H new ATOM 1528 N THR A 102 -11.707 4.956 -35.186 1.00 0.00 N ATOM 1529 CA THR A 102 -12.988 4.527 -35.734 1.00 0.00 C ATOM 1530 C THR A 102 -13.790 3.781 -34.682 1.00 0.00 C ATOM 1531 O THR A 102 -14.993 3.996 -34.533 1.00 0.00 O ATOM 1532 CB THR A 102 -12.781 3.635 -36.960 1.00 0.00 C ATOM 1533 OG1 THR A 102 -11.440 3.180 -37.037 1.00 0.00 O ATOM 1534 CG2 THR A 102 -13.111 4.329 -38.261 1.00 0.00 C ATOM 0 H THR A 102 -10.893 4.527 -35.627 1.00 0.00 H new ATOM 0 HA THR A 102 -13.541 5.415 -36.039 1.00 0.00 H new ATOM 0 HB THR A 102 -13.467 2.799 -36.828 1.00 0.00 H new ATOM 0 HG1 THR A 102 -10.887 3.863 -37.470 1.00 0.00 H new ATOM 0 HG21 THR A 102 -12.944 3.643 -39.092 1.00 0.00 H new ATOM 0 HG22 THR A 102 -14.156 4.640 -38.252 1.00 0.00 H new ATOM 0 HG23 THR A 102 -12.472 5.204 -38.379 1.00 0.00 H new ATOM 1542 N GLU A 103 -13.113 2.905 -33.952 1.00 0.00 N ATOM 1543 CA GLU A 103 -13.762 2.126 -32.907 1.00 0.00 C ATOM 1544 C GLU A 103 -13.981 2.964 -31.650 1.00 0.00 C ATOM 1545 O GLU A 103 -14.615 2.520 -30.694 1.00 0.00 O ATOM 1546 CB GLU A 103 -12.939 0.879 -32.576 1.00 0.00 C ATOM 1547 CG GLU A 103 -13.439 -0.381 -33.266 1.00 0.00 C ATOM 1548 CD GLU A 103 -12.476 -0.888 -34.323 1.00 0.00 C ATOM 1549 OE1 GLU A 103 -12.179 -0.128 -35.269 1.00 0.00 O ATOM 1550 OE2 GLU A 103 -12.022 -2.045 -34.205 1.00 0.00 O ATOM 0 H GLU A 103 -12.117 2.716 -34.064 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.737 1.814 -33.281 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.901 1.052 -32.862 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.951 0.722 -31.497 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.598 -1.160 -32.521 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -14.406 -0.179 -33.727 1.00 0.00 H new ATOM 1557 N ARG A 104 -13.445 4.176 -31.664 1.00 0.00 N ATOM 1558 CA ARG A 104 -13.563 5.091 -30.535 1.00 0.00 C ATOM 1559 C ARG A 104 -14.511 6.249 -30.859 1.00 0.00 C ATOM 1560 O ARG A 104 -14.967 6.959 -29.964 1.00 0.00 O ATOM 1561 CB ARG A 104 -12.175 5.627 -30.171 1.00 0.00 C ATOM 1562 CG ARG A 104 -12.170 6.636 -29.035 1.00 0.00 C ATOM 1563 CD ARG A 104 -10.988 7.585 -29.148 1.00 0.00 C ATOM 1564 NE ARG A 104 -11.408 8.948 -29.470 1.00 0.00 N ATOM 1565 CZ ARG A 104 -10.663 10.029 -29.240 1.00 0.00 C ATOM 1566 NH1 ARG A 104 -9.460 9.911 -28.693 1.00 0.00 N ATOM 1567 NH2 ARG A 104 -11.125 11.230 -29.558 1.00 0.00 N ATOM 0 H ARG A 104 -12.919 4.552 -32.453 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.980 4.548 -29.687 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.535 4.788 -29.898 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.735 6.090 -31.054 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -13.099 7.205 -29.047 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.129 6.112 -28.080 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.435 7.589 -28.209 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.306 7.224 -29.918 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.325 9.079 -29.896 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.100 8.989 -28.446 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.895 10.742 -28.520 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.050 11.326 -29.978 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.556 12.058 -29.383 1.00 0.00 H new ATOM 1581 N GLY A 105 -14.809 6.430 -32.144 1.00 0.00 N ATOM 1582 CA GLY A 105 -15.699 7.500 -32.557 1.00 0.00 C ATOM 1583 C GLY A 105 -15.288 8.106 -33.885 1.00 0.00 C ATOM 1584 O GLY A 105 -16.087 8.166 -34.816 1.00 0.00 O ATOM 0 H GLY A 105 -14.449 5.854 -32.905 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -16.716 7.115 -32.634 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -15.710 8.277 -31.793 1.00 0.00 H new ATOM 1588 N ILE A 106 -14.031 8.546 -33.956 1.00 0.00 N ATOM 1589 CA ILE A 106 -13.463 9.150 -35.159 1.00 0.00 C ATOM 1590 C ILE A 106 -14.318 10.293 -35.706 1.00 0.00 C ATOM 1591 O ILE A 106 -15.541 10.197 -35.788 1.00 0.00 O ATOM 1592 CB ILE A 106 -13.226 8.107 -36.274 1.00 0.00 C ATOM 1593 CG1 ILE A 106 -12.430 8.729 -37.422 1.00 0.00 C ATOM 1594 CG2 ILE A 106 -14.540 7.538 -36.789 1.00 0.00 C ATOM 1595 CD1 ILE A 106 -11.086 9.281 -36.998 1.00 0.00 C ATOM 0 H ILE A 106 -13.376 8.492 -33.176 1.00 0.00 H new ATOM 0 HA ILE A 106 -12.502 9.562 -34.849 1.00 0.00 H new ATOM 0 HB ILE A 106 -12.650 7.286 -35.848 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -12.277 7.977 -38.196 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -13.018 9.531 -37.868 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -14.338 6.807 -37.572 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -15.073 7.054 -35.970 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -15.152 8.344 -37.194 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.578 9.706 -37.864 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -11.232 10.056 -36.246 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -10.479 8.479 -36.579 1.00 0.00 H new ATOM 1607 N THR A 107 -13.650 11.375 -36.090 1.00 0.00 N ATOM 1608 CA THR A 107 -14.324 12.543 -36.644 1.00 0.00 C ATOM 1609 C THR A 107 -13.364 13.355 -37.510 1.00 0.00 C ATOM 1610 O THR A 107 -13.523 14.566 -37.663 1.00 0.00 O ATOM 1611 CB THR A 107 -14.883 13.420 -35.523 1.00 0.00 C ATOM 1612 OG1 THR A 107 -13.906 13.632 -34.518 1.00 0.00 O ATOM 1613 CG2 THR A 107 -16.107 12.833 -34.856 1.00 0.00 C ATOM 0 H THR A 107 -12.636 11.467 -36.027 1.00 0.00 H new ATOM 0 HA THR A 107 -15.150 12.197 -37.265 1.00 0.00 H new ATOM 0 HB THR A 107 -15.166 14.356 -36.004 1.00 0.00 H new ATOM 0 HG1 THR A 107 -14.282 14.197 -33.810 1.00 0.00 H new ATOM 0 HG21 THR A 107 -16.451 13.506 -34.071 1.00 0.00 H new ATOM 0 HG22 THR A 107 -16.897 12.703 -35.595 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.856 11.866 -34.421 1.00 0.00 H new ATOM 1621 N PHE A 108 -12.361 12.679 -38.066 1.00 0.00 N ATOM 1622 CA PHE A 108 -11.366 13.337 -38.909 1.00 0.00 C ATOM 1623 C PHE A 108 -11.980 13.849 -40.210 1.00 0.00 C ATOM 1624 O PHE A 108 -11.975 13.159 -41.228 1.00 0.00 O ATOM 1625 CB PHE A 108 -10.202 12.383 -39.211 1.00 0.00 C ATOM 1626 CG PHE A 108 -10.607 10.987 -39.622 1.00 0.00 C ATOM 1627 CD1 PHE A 108 -11.899 10.703 -40.047 1.00 0.00 C ATOM 1628 CD2 PHE A 108 -9.680 9.954 -39.587 1.00 0.00 C ATOM 1629 CE1 PHE A 108 -12.254 9.422 -40.426 1.00 0.00 C ATOM 1630 CE2 PHE A 108 -10.032 8.673 -39.967 1.00 0.00 C ATOM 1631 CZ PHE A 108 -11.319 8.406 -40.387 1.00 0.00 C ATOM 0 H PHE A 108 -12.216 11.676 -37.948 1.00 0.00 H new ATOM 0 HA PHE A 108 -10.986 14.198 -38.358 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -9.594 12.817 -40.005 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -9.569 12.315 -38.326 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -12.635 11.493 -40.082 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.671 10.154 -39.259 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -13.262 9.215 -40.753 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.299 7.880 -39.935 1.00 0.00 H new ATOM 0 HZ PHE A 108 -11.595 7.405 -40.685 1.00 0.00 H new ATOM 1641 N LYS A 109 -12.505 15.070 -40.166 1.00 0.00 N ATOM 1642 CA LYS A 109 -13.123 15.683 -41.338 1.00 0.00 C ATOM 1643 C LYS A 109 -12.085 15.972 -42.422 1.00 0.00 C ATOM 1644 O LYS A 109 -11.750 17.127 -42.685 1.00 0.00 O ATOM 1645 CB LYS A 109 -13.837 16.978 -40.944 1.00 0.00 C ATOM 1646 CG LYS A 109 -14.960 16.772 -39.940 1.00 0.00 C ATOM 1647 CD LYS A 109 -16.329 16.948 -40.582 1.00 0.00 C ATOM 1648 CE LYS A 109 -17.095 18.104 -39.958 1.00 0.00 C ATOM 1649 NZ LYS A 109 -18.489 18.190 -40.474 1.00 0.00 N ATOM 0 H LYS A 109 -12.515 15.655 -39.331 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.851 14.978 -41.740 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.108 17.672 -40.524 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.244 17.446 -41.840 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.885 15.773 -39.510 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.849 17.481 -39.119 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -16.210 17.124 -41.651 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.904 16.028 -40.472 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -17.116 17.983 -38.875 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.573 19.039 -40.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.977 18.991 -40.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.470 18.331 -41.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -18.995 17.308 -40.255 1.00 0.00 H new ATOM 1663 N GLN A 110 -11.582 14.913 -43.052 1.00 0.00 N ATOM 1664 CA GLN A 110 -10.587 15.051 -44.112 1.00 0.00 C ATOM 1665 C GLN A 110 -9.418 15.925 -43.664 1.00 0.00 C ATOM 1666 O GLN A 110 -8.763 16.568 -44.485 1.00 0.00 O ATOM 1667 CB GLN A 110 -11.230 15.646 -45.366 1.00 0.00 C ATOM 1668 CG GLN A 110 -10.413 15.436 -46.629 1.00 0.00 C ATOM 1669 CD GLN A 110 -11.279 15.285 -47.864 1.00 0.00 C ATOM 1670 OE1 GLN A 110 -11.827 14.214 -48.127 1.00 0.00 O ATOM 1671 NE2 GLN A 110 -11.407 16.361 -48.633 1.00 0.00 N ATOM 0 H GLN A 110 -11.847 13.950 -42.847 1.00 0.00 H new ATOM 0 HA GLN A 110 -10.202 14.057 -44.341 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -12.216 15.202 -45.504 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -11.380 16.715 -45.214 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -9.737 16.280 -46.765 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -9.793 14.547 -46.513 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -10.936 17.229 -48.378 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.977 16.319 -49.478 1.00 0.00 H new ATOM 1680 N SER A 111 -9.164 15.949 -42.360 1.00 0.00 N ATOM 1681 CA SER A 111 -8.077 16.751 -41.809 1.00 0.00 C ATOM 1682 C SER A 111 -7.028 15.872 -41.133 1.00 0.00 C ATOM 1683 O SER A 111 -5.850 16.226 -41.083 1.00 0.00 O ATOM 1684 CB SER A 111 -8.625 17.768 -40.807 1.00 0.00 C ATOM 1685 OG SER A 111 -9.160 17.122 -39.664 1.00 0.00 O ATOM 0 H SER A 111 -9.695 15.423 -41.666 1.00 0.00 H new ATOM 0 HA SER A 111 -7.600 17.279 -42.635 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.830 18.450 -40.504 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.398 18.371 -41.283 1.00 0.00 H new ATOM 0 HG SER A 111 -9.502 17.794 -39.038 1.00 0.00 H new ATOM 1691 N ALA A 112 -7.460 14.729 -40.609 1.00 0.00 N ATOM 1692 CA ALA A 112 -6.551 13.812 -39.935 1.00 0.00 C ATOM 1693 C ALA A 112 -5.866 12.879 -40.927 1.00 0.00 C ATOM 1694 O ALA A 112 -6.220 11.704 -41.036 1.00 0.00 O ATOM 1695 CB ALA A 112 -7.296 13.010 -38.880 1.00 0.00 C ATOM 0 H ALA A 112 -8.431 14.418 -40.639 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.778 14.405 -39.447 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.604 12.329 -38.385 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.727 13.689 -38.144 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.092 12.436 -39.354 1.00 0.00 H new ATOM 1701 N THR A 113 -4.883 13.409 -41.648 1.00 0.00 N ATOM 1702 CA THR A 113 -4.147 12.622 -42.630 1.00 0.00 C ATOM 1703 C THR A 113 -3.376 11.492 -41.957 1.00 0.00 C ATOM 1704 O THR A 113 -3.727 10.320 -42.101 1.00 0.00 O ATOM 1705 CB THR A 113 -3.187 13.514 -43.417 1.00 0.00 C ATOM 1706 OG1 THR A 113 -3.619 14.863 -43.391 1.00 0.00 O ATOM 1707 CG2 THR A 113 -3.051 13.102 -44.865 1.00 0.00 C ATOM 0 H THR A 113 -4.578 14.379 -41.571 1.00 0.00 H new ATOM 0 HA THR A 113 -4.869 12.183 -43.319 1.00 0.00 H new ATOM 0 HB THR A 113 -2.219 13.404 -42.929 1.00 0.00 H new ATOM 0 HG1 THR A 113 -2.990 15.418 -43.899 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.357 13.773 -45.371 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.673 12.081 -44.919 1.00 0.00 H new ATOM 0 HG23 THR A 113 -4.025 13.155 -45.351 1.00 0.00 H new ATOM 1715 N LYS A 114 -2.325 11.844 -41.220 1.00 0.00 N ATOM 1716 CA LYS A 114 -1.517 10.845 -40.529 1.00 0.00 C ATOM 1717 C LYS A 114 -0.825 11.435 -39.309 1.00 0.00 C ATOM 1718 O LYS A 114 -0.781 10.812 -38.248 1.00 0.00 O ATOM 1719 CB LYS A 114 -0.484 10.238 -41.483 1.00 0.00 C ATOM 1720 CG LYS A 114 -0.889 8.881 -42.035 1.00 0.00 C ATOM 1721 CD LYS A 114 -0.045 8.496 -43.238 1.00 0.00 C ATOM 1722 CE LYS A 114 -0.876 7.787 -44.297 1.00 0.00 C ATOM 1723 NZ LYS A 114 -1.357 8.728 -45.347 1.00 0.00 N ATOM 0 H LYS A 114 -2.015 12.807 -41.087 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.187 10.057 -40.186 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.321 10.925 -42.314 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.467 10.139 -40.960 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.783 8.124 -41.258 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.941 8.902 -42.319 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.408 9.390 -43.667 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.771 7.847 -42.919 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.280 7.000 -44.760 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.731 7.303 -43.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.919 8.206 -46.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.947 9.464 -44.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.541 9.171 -45.816 1.00 0.00 H new ATOM 1737 N ALA A 115 -0.295 12.636 -39.453 1.00 0.00 N ATOM 1738 CA ALA A 115 0.374 13.293 -38.342 1.00 0.00 C ATOM 1739 C ALA A 115 -0.652 13.925 -37.412 1.00 0.00 C ATOM 1740 O ALA A 115 -0.387 14.138 -36.229 1.00 0.00 O ATOM 1741 CB ALA A 115 1.357 14.337 -38.850 1.00 0.00 C ATOM 0 H ALA A 115 -0.313 13.173 -40.320 1.00 0.00 H new ATOM 0 HA ALA A 115 0.936 12.546 -37.781 1.00 0.00 H new ATOM 0 HB1 ALA A 115 1.847 14.817 -38.003 1.00 0.00 H new ATOM 0 HB2 ALA A 115 2.107 13.856 -39.478 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.822 15.087 -39.433 1.00 0.00 H new ATOM 1747 N GLU A 116 -1.828 14.217 -37.958 1.00 0.00 N ATOM 1748 CA GLU A 116 -2.903 14.819 -37.182 1.00 0.00 C ATOM 1749 C GLU A 116 -3.734 13.760 -36.465 1.00 0.00 C ATOM 1750 O GLU A 116 -4.178 13.973 -35.337 1.00 0.00 O ATOM 1751 CB GLU A 116 -3.797 15.669 -38.083 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.086 16.867 -38.692 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.816 18.172 -38.436 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.038 18.128 -38.184 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.164 19.236 -38.487 1.00 0.00 O ATOM 0 H GLU A 116 -2.060 14.046 -38.936 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.449 15.458 -36.425 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.189 15.044 -38.885 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.652 16.020 -37.505 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.078 16.933 -38.283 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.985 16.717 -39.767 1.00 0.00 H new ATOM 1762 N LEU A 117 -3.953 12.619 -37.121 1.00 0.00 N ATOM 1763 CA LEU A 117 -4.745 11.547 -36.520 1.00 0.00 C ATOM 1764 C LEU A 117 -3.925 10.774 -35.496 1.00 0.00 C ATOM 1765 O LEU A 117 -4.483 10.124 -34.612 1.00 0.00 O ATOM 1766 CB LEU A 117 -5.355 10.627 -37.600 1.00 0.00 C ATOM 1767 CG LEU A 117 -4.618 9.327 -37.930 1.00 0.00 C ATOM 1768 CD1 LEU A 117 -5.188 8.732 -39.206 1.00 0.00 C ATOM 1769 CD2 LEU A 117 -3.132 9.567 -38.089 1.00 0.00 C ATOM 0 H LEU A 117 -3.598 12.416 -38.055 1.00 0.00 H new ATOM 0 HA LEU A 117 -5.581 11.999 -35.986 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -6.367 10.368 -37.287 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.444 11.204 -38.520 1.00 0.00 H new ATOM 0 HG LEU A 117 -4.759 8.630 -37.104 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -4.663 7.806 -39.442 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.249 8.523 -39.068 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.061 9.439 -40.026 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.634 8.626 -38.323 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.963 10.278 -38.898 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.727 9.970 -37.161 1.00 0.00 H new ATOM 1781 N ILE A 118 -2.603 10.878 -35.587 1.00 0.00 N ATOM 1782 CA ILE A 118 -1.740 10.211 -34.627 1.00 0.00 C ATOM 1783 C ILE A 118 -1.614 11.070 -33.369 1.00 0.00 C ATOM 1784 O ILE A 118 -1.421 10.556 -32.268 1.00 0.00 O ATOM 1785 CB ILE A 118 -0.337 9.891 -35.211 1.00 0.00 C ATOM 1786 CG1 ILE A 118 0.428 8.944 -34.277 1.00 0.00 C ATOM 1787 CG2 ILE A 118 0.476 11.154 -35.477 1.00 0.00 C ATOM 1788 CD1 ILE A 118 0.989 9.614 -33.039 1.00 0.00 C ATOM 0 H ILE A 118 -2.114 11.411 -36.306 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.200 9.255 -34.376 1.00 0.00 H new ATOM 0 HB ILE A 118 -0.489 9.397 -36.171 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -0.238 8.138 -33.970 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.247 8.487 -34.832 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.449 10.881 -35.885 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -0.053 11.784 -36.192 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.614 11.701 -34.544 1.00 0.00 H new ATOM 0 HD11 ILE A 118 1.515 8.876 -32.433 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.682 10.402 -33.334 1.00 0.00 H new ATOM 0 HD13 ILE A 118 0.174 10.047 -32.459 1.00 0.00 H new ATOM 1800 N ALA A 119 -1.758 12.386 -33.543 1.00 0.00 N ATOM 1801 CA ALA A 119 -1.692 13.323 -32.432 1.00 0.00 C ATOM 1802 C ALA A 119 -3.061 13.493 -31.784 1.00 0.00 C ATOM 1803 O ALA A 119 -3.171 13.683 -30.573 1.00 0.00 O ATOM 1804 CB ALA A 119 -1.156 14.667 -32.905 1.00 0.00 C ATOM 0 H ALA A 119 -1.922 12.823 -34.450 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.010 12.919 -31.684 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.112 15.358 -32.063 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -0.156 14.535 -33.318 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.815 15.072 -33.673 1.00 0.00 H new ATOM 1810 N LEU A 120 -4.105 13.436 -32.611 1.00 0.00 N ATOM 1811 CA LEU A 120 -5.479 13.596 -32.138 1.00 0.00 C ATOM 1812 C LEU A 120 -5.765 12.696 -30.944 1.00 0.00 C ATOM 1813 O LEU A 120 -6.435 13.105 -29.998 1.00 0.00 O ATOM 1814 CB LEU A 120 -6.470 13.290 -33.264 1.00 0.00 C ATOM 1815 CG LEU A 120 -7.808 14.025 -33.165 1.00 0.00 C ATOM 1816 CD1 LEU A 120 -7.757 15.330 -33.942 1.00 0.00 C ATOM 1817 CD2 LEU A 120 -8.939 13.143 -33.671 1.00 0.00 C ATOM 0 H LEU A 120 -4.024 13.280 -33.616 1.00 0.00 H new ATOM 0 HA LEU A 120 -5.599 14.632 -31.822 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -6.004 13.542 -34.216 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -6.662 12.217 -33.277 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.998 14.258 -32.117 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.717 15.840 -33.861 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.972 15.967 -33.533 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.545 15.121 -34.991 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.883 13.682 -33.593 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -8.756 12.879 -34.713 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -8.989 12.235 -33.070 1.00 0.00 H new ATOM 1829 N PHE A 121 -5.256 11.468 -30.997 1.00 0.00 N ATOM 1830 CA PHE A 121 -5.460 10.505 -29.919 1.00 0.00 C ATOM 1831 C PHE A 121 -5.084 11.101 -28.565 1.00 0.00 C ATOM 1832 O PHE A 121 -3.955 10.948 -28.100 1.00 0.00 O ATOM 1833 CB PHE A 121 -4.638 9.245 -30.174 1.00 0.00 C ATOM 1834 CG PHE A 121 -5.415 8.166 -30.861 1.00 0.00 C ATOM 1835 CD1 PHE A 121 -5.600 8.197 -32.232 1.00 0.00 C ATOM 1836 CD2 PHE A 121 -5.965 7.123 -30.137 1.00 0.00 C ATOM 1837 CE1 PHE A 121 -6.318 7.208 -32.869 1.00 0.00 C ATOM 1838 CE2 PHE A 121 -6.684 6.131 -30.768 1.00 0.00 C ATOM 1839 CZ PHE A 121 -6.862 6.173 -32.136 1.00 0.00 C ATOM 0 H PHE A 121 -4.699 11.116 -31.776 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.519 10.248 -29.898 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -3.770 9.502 -30.781 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -4.262 8.865 -29.224 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -5.177 9.006 -32.810 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.829 7.086 -29.066 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.455 7.243 -33.940 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -7.108 5.321 -30.192 1.00 0.00 H new ATOM 0 HZ PHE A 121 -7.426 5.397 -32.632 1.00 0.00 H new ATOM 1849 N ALA A 122 -6.038 11.777 -27.941 1.00 0.00 N ATOM 1850 CA ALA A 122 -5.813 12.397 -26.642 1.00 0.00 C ATOM 1851 C ALA A 122 -6.721 11.787 -25.576 1.00 0.00 C ATOM 1852 O ALA A 122 -7.890 11.503 -25.835 1.00 0.00 O ATOM 1853 CB ALA A 122 -6.037 13.900 -26.730 1.00 0.00 C ATOM 0 H ALA A 122 -6.978 11.911 -28.314 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.779 12.210 -26.352 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.866 14.351 -25.753 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.345 14.329 -27.454 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -7.061 14.097 -27.046 1.00 0.00 H new ATOM 1859 N PRO A 123 -6.194 11.576 -24.355 1.00 0.00 N ATOM 1860 CA PRO A 123 -6.970 10.998 -23.253 1.00 0.00 C ATOM 1861 C PRO A 123 -8.270 11.753 -23.001 1.00 0.00 C ATOM 1862 O PRO A 123 -8.258 12.955 -22.731 1.00 0.00 O ATOM 1863 CB PRO A 123 -6.034 11.129 -22.048 1.00 0.00 C ATOM 1864 CG PRO A 123 -4.666 11.183 -22.633 1.00 0.00 C ATOM 1865 CD PRO A 123 -4.810 11.885 -23.954 1.00 0.00 C ATOM 0 HA PRO A 123 -7.272 9.972 -23.464 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -6.254 12.028 -21.472 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -6.141 10.282 -21.370 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -3.982 11.721 -21.977 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -4.258 10.181 -22.766 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.650 12.959 -23.858 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -4.089 11.519 -24.685 1.00 0.00 H new ATOM 1873 N ALA A 124 -9.390 11.043 -23.091 1.00 0.00 N ATOM 1874 CA ALA A 124 -10.697 11.648 -22.871 1.00 0.00 C ATOM 1875 C ALA A 124 -11.425 10.976 -21.712 1.00 0.00 C ATOM 1876 O ALA A 124 -11.717 11.610 -20.697 1.00 0.00 O ATOM 1877 CB ALA A 124 -11.534 11.569 -24.139 1.00 0.00 C ATOM 0 H ALA A 124 -9.418 10.048 -23.315 1.00 0.00 H new ATOM 0 HA ALA A 124 -10.546 12.696 -22.612 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -12.508 12.025 -23.961 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -11.026 12.101 -24.944 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -11.668 10.525 -24.422 1.00 0.00 H new ATOM 1883 N ASP A 125 -11.716 9.689 -21.869 1.00 0.00 N ATOM 1884 CA ASP A 125 -12.409 8.930 -20.834 1.00 0.00 C ATOM 1885 C ASP A 125 -11.424 8.394 -19.801 1.00 0.00 C ATOM 1886 O ASP A 125 -10.213 8.572 -19.932 1.00 0.00 O ATOM 1887 CB ASP A 125 -13.191 7.772 -21.459 1.00 0.00 C ATOM 1888 CG ASP A 125 -14.434 8.242 -22.189 1.00 0.00 C ATOM 1889 OD1 ASP A 125 -15.209 9.024 -21.599 1.00 0.00 O ATOM 1890 OD2 ASP A 125 -14.633 7.828 -23.351 1.00 0.00 O ATOM 0 H ASP A 125 -11.483 9.150 -22.703 1.00 0.00 H new ATOM 0 HA ASP A 125 -13.106 9.601 -20.331 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -12.546 7.235 -22.154 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -13.476 7.066 -20.679 1.00 0.00 H new ATOM 1895 N GLY A 126 -11.951 7.737 -18.773 1.00 0.00 N ATOM 1896 CA GLY A 126 -11.104 7.185 -17.733 1.00 0.00 C ATOM 1897 C GLY A 126 -10.219 6.063 -18.239 1.00 0.00 C ATOM 1898 O GLY A 126 -10.108 5.847 -19.447 1.00 0.00 O ATOM 0 H GLY A 126 -12.950 7.577 -18.642 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -10.480 7.977 -17.319 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -11.728 6.813 -16.920 1.00 0.00 H new ATOM 1902 N GLU A 127 -9.587 5.347 -17.315 1.00 0.00 N ATOM 1903 CA GLU A 127 -8.707 4.241 -17.673 1.00 0.00 C ATOM 1904 C GLU A 127 -9.399 2.900 -17.450 1.00 0.00 C ATOM 1905 O GLU A 127 -10.245 2.768 -16.566 1.00 0.00 O ATOM 1906 CB GLU A 127 -7.414 4.305 -16.858 1.00 0.00 C ATOM 1907 CG GLU A 127 -6.166 4.006 -17.671 1.00 0.00 C ATOM 1908 CD GLU A 127 -4.889 4.337 -16.923 1.00 0.00 C ATOM 1909 OE1 GLU A 127 -4.434 3.492 -16.123 1.00 0.00 O ATOM 1910 OE2 GLU A 127 -4.343 5.440 -17.137 1.00 0.00 O ATOM 0 H GLU A 127 -9.668 5.513 -16.312 1.00 0.00 H new ATOM 0 HA GLU A 127 -8.464 4.331 -18.732 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -7.321 5.298 -16.417 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -7.479 3.595 -16.033 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.159 2.951 -17.945 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -6.197 4.576 -18.600 1.00 0.00 H new ATOM 1917 N LYS A 128 -9.034 1.910 -18.256 1.00 0.00 N ATOM 1918 CA LYS A 128 -9.619 0.579 -18.145 1.00 0.00 C ATOM 1919 C LYS A 128 -8.868 -0.264 -17.121 1.00 0.00 C ATOM 1920 O LYS A 128 -7.638 -0.263 -17.084 1.00 0.00 O ATOM 1921 CB LYS A 128 -9.607 -0.121 -19.506 1.00 0.00 C ATOM 1922 CG LYS A 128 -8.247 -0.109 -20.185 1.00 0.00 C ATOM 1923 CD LYS A 128 -8.240 0.791 -21.411 1.00 0.00 C ATOM 1924 CE LYS A 128 -8.265 -0.019 -22.698 1.00 0.00 C ATOM 1925 NZ LYS A 128 -9.626 -0.544 -22.996 1.00 0.00 N ATOM 0 H LYS A 128 -8.336 2.004 -18.994 1.00 0.00 H new ATOM 0 HA LYS A 128 -10.650 0.691 -17.809 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -9.930 -1.154 -19.377 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -10.334 0.361 -20.159 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -7.490 0.232 -19.479 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -7.977 -1.124 -20.477 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -9.104 1.455 -21.381 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -7.352 1.423 -21.395 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -7.927 0.604 -23.526 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -7.565 -0.850 -22.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -9.601 -1.090 -23.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -9.939 -1.159 -22.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -10.290 0.250 -23.098 1.00 0.00 H new ATOM 1939 N SER A 129 -9.616 -0.983 -16.291 1.00 0.00 N ATOM 1940 CA SER A 129 -9.019 -1.832 -15.264 1.00 0.00 C ATOM 1941 C SER A 129 -9.645 -3.223 -15.278 1.00 0.00 C ATOM 1942 O SER A 129 -8.939 -4.231 -15.245 1.00 0.00 O ATOM 1943 CB SER A 129 -9.191 -1.195 -13.884 1.00 0.00 C ATOM 1944 OG SER A 129 -8.407 -1.865 -12.912 1.00 0.00 O ATOM 0 H SER A 129 -10.636 -0.996 -16.308 1.00 0.00 H new ATOM 0 HA SER A 129 -7.955 -1.930 -15.481 1.00 0.00 H new ATOM 0 HB2 SER A 129 -8.904 -0.144 -13.927 1.00 0.00 H new ATOM 0 HB3 SER A 129 -10.241 -1.227 -13.594 1.00 0.00 H new ATOM 0 HG SER A 129 -8.533 -1.438 -12.039 1.00 0.00 H new ATOM 1950 N GLU A 130 -10.972 -3.269 -15.326 1.00 0.00 N ATOM 1951 CA GLU A 130 -11.692 -4.537 -15.343 1.00 0.00 C ATOM 1952 C GLU A 130 -12.659 -4.597 -16.522 1.00 0.00 C ATOM 1953 O GLU A 130 -12.589 -5.506 -17.348 1.00 0.00 O ATOM 1954 CB GLU A 130 -12.456 -4.731 -14.032 1.00 0.00 C ATOM 1955 CG GLU A 130 -12.802 -6.183 -13.740 1.00 0.00 C ATOM 1956 CD GLU A 130 -13.974 -6.321 -12.788 1.00 0.00 C ATOM 1957 OE1 GLU A 130 -13.973 -5.638 -11.743 1.00 0.00 O ATOM 1958 OE2 GLU A 130 -14.892 -7.112 -13.088 1.00 0.00 O ATOM 0 H GLU A 130 -11.570 -2.443 -15.354 1.00 0.00 H new ATOM 0 HA GLU A 130 -10.963 -5.339 -15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -11.858 -4.336 -13.211 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -13.375 -4.147 -14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -13.036 -6.692 -14.675 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -11.931 -6.682 -13.314 1.00 0.00 H new ATOM 1965 N ALA A 131 -13.559 -3.621 -16.593 1.00 0.00 N ATOM 1966 CA ALA A 131 -14.539 -3.563 -17.671 1.00 0.00 C ATOM 1967 C ALA A 131 -13.887 -3.144 -18.983 1.00 0.00 C ATOM 1968 O ALA A 131 -13.655 -1.930 -19.166 1.00 0.00 O ATOM 1969 CB ALA A 131 -15.664 -2.605 -17.308 1.00 0.00 C ATOM 1970 OXT ALA A 131 -13.613 -4.031 -19.818 1.00 0.00 O ATOM 0 H ALA A 131 -13.630 -2.860 -15.917 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.955 -4.561 -17.806 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -16.389 -2.571 -18.121 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -16.155 -2.949 -16.398 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -15.255 -1.608 -17.145 1.00 0.00 H new TER 1976 ALA A 131