USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 842 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.083 USER MOD Single : A 5 SER OG : rot 56:sc= 1.18 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.24) USER MOD Single : A 17 GLN : amide:sc= -3.62 X(o=-3.6,f=-3.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.344 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 36 GLN : amide:sc= -2.57 K(o=-2.6,f=-9.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.68 K(o=-1.7,f=-9.2!) USER MOD Single : A 48 ASN : amide:sc= -0.551 K(o=-0.55,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 99:sc= 0.807 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0357 K(o=-0.036,f=-3.3!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.308 K(o=0.31,f=-4.1!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.287 USER MOD Single : A 90 SER OG : rot 55:sc= 0.183 USER MOD Single : A 95 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.5!) USER MOD Single : A 105 GLN : amide:sc= 0.0193 X(o=0.019,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.317 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.258 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.452 50.757 29.863 1.00 0.00 N ATOM 2 CA GLY A 1 -3.966 50.388 28.555 1.00 0.00 C ATOM 3 C GLY A 1 -3.111 49.290 27.919 1.00 0.00 C ATOM 4 O GLY A 1 -2.308 49.561 27.028 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.049 51.503 30.273 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.461 49.925 30.487 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.478 51.107 29.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.996 50.043 28.649 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.981 51.264 27.906 1.00 0.00 H new ATOM 8 N SER A 2 -3.314 48.073 28.402 1.00 0.00 N ATOM 9 CA SER A 2 -2.572 46.932 27.893 1.00 0.00 C ATOM 10 C SER A 2 -3.387 45.652 28.080 1.00 0.00 C ATOM 11 O SER A 2 -3.727 45.286 29.204 1.00 0.00 O ATOM 12 CB SER A 2 -1.215 46.803 28.587 1.00 0.00 C ATOM 13 OG SER A 2 -0.400 45.801 27.986 1.00 0.00 O ATOM 0 H SER A 2 -3.982 47.852 29.141 1.00 0.00 H new ATOM 0 HA SER A 2 -2.392 47.089 26.829 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.697 47.761 28.551 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.368 46.563 29.639 1.00 0.00 H new ATOM 0 HG SER A 2 0.458 45.751 28.457 1.00 0.00 H new ATOM 19 N SER A 3 -3.678 45.005 26.961 1.00 0.00 N ATOM 20 CA SER A 3 -4.448 43.772 26.987 1.00 0.00 C ATOM 21 C SER A 3 -4.218 42.984 25.696 1.00 0.00 C ATOM 22 O SER A 3 -3.717 43.528 24.713 1.00 0.00 O ATOM 23 CB SER A 3 -5.939 44.058 27.177 1.00 0.00 C ATOM 24 OG SER A 3 -6.701 42.860 27.301 1.00 0.00 O ATOM 0 H SER A 3 -3.395 45.311 26.030 1.00 0.00 H new ATOM 0 HA SER A 3 -4.110 43.175 27.834 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.080 44.671 28.067 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.308 44.636 26.330 1.00 0.00 H new ATOM 0 HG SER A 3 -7.647 43.085 27.422 1.00 0.00 H new ATOM 30 N GLY A 4 -4.597 41.715 25.740 1.00 0.00 N ATOM 31 CA GLY A 4 -4.439 40.847 24.586 1.00 0.00 C ATOM 32 C GLY A 4 -3.939 39.463 25.005 1.00 0.00 C ATOM 33 O GLY A 4 -2.908 39.345 25.666 1.00 0.00 O ATOM 0 H GLY A 4 -5.013 41.267 26.557 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.392 40.751 24.066 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.736 41.294 23.884 1.00 0.00 H new ATOM 37 N SER A 5 -4.693 38.450 24.604 1.00 0.00 N ATOM 38 CA SER A 5 -4.340 37.079 24.930 1.00 0.00 C ATOM 39 C SER A 5 -5.430 36.126 24.434 1.00 0.00 C ATOM 40 O SER A 5 -6.533 36.558 24.103 1.00 0.00 O ATOM 41 CB SER A 5 -4.130 36.907 26.435 1.00 0.00 C ATOM 42 OG SER A 5 -2.754 36.989 26.795 1.00 0.00 O ATOM 0 H SER A 5 -5.547 38.552 24.056 1.00 0.00 H new ATOM 0 HA SER A 5 -3.401 36.840 24.430 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.691 37.674 26.969 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.530 35.943 26.749 1.00 0.00 H new ATOM 0 HG SER A 5 -2.382 37.837 26.474 1.00 0.00 H new ATOM 48 N SER A 6 -5.082 34.848 24.399 1.00 0.00 N ATOM 49 CA SER A 6 -6.017 33.831 23.949 1.00 0.00 C ATOM 50 C SER A 6 -5.425 32.438 24.177 1.00 0.00 C ATOM 51 O SER A 6 -4.224 32.301 24.405 1.00 0.00 O ATOM 52 CB SER A 6 -6.371 34.021 22.473 1.00 0.00 C ATOM 53 OG SER A 6 -5.209 34.121 21.654 1.00 0.00 O ATOM 0 H SER A 6 -4.166 34.494 24.675 1.00 0.00 H new ATOM 0 HA SER A 6 -6.934 33.930 24.530 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.981 33.183 22.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.974 34.921 22.358 1.00 0.00 H new ATOM 0 HG SER A 6 -5.477 34.240 20.719 1.00 0.00 H new ATOM 59 N GLY A 7 -6.295 31.441 24.108 1.00 0.00 N ATOM 60 CA GLY A 7 -5.873 30.065 24.304 1.00 0.00 C ATOM 61 C GLY A 7 -6.813 29.096 23.585 1.00 0.00 C ATOM 62 O GLY A 7 -7.792 28.629 24.166 1.00 0.00 O ATOM 0 H GLY A 7 -7.290 31.559 23.919 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.857 29.936 23.931 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.853 29.835 25.369 1.00 0.00 H new ATOM 66 N ALA A 8 -6.484 28.821 22.332 1.00 0.00 N ATOM 67 CA ALA A 8 -7.287 27.916 21.527 1.00 0.00 C ATOM 68 C ALA A 8 -6.630 27.739 20.157 1.00 0.00 C ATOM 69 O ALA A 8 -6.347 28.719 19.469 1.00 0.00 O ATOM 70 CB ALA A 8 -8.715 28.454 21.424 1.00 0.00 C ATOM 0 H ALA A 8 -5.671 29.209 21.854 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.342 26.933 21.995 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.317 27.775 20.820 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.147 28.532 22.422 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.700 29.439 20.957 1.00 0.00 H new ATOM 76 N ILE A 9 -6.406 26.483 19.801 1.00 0.00 N ATOM 77 CA ILE A 9 -5.788 26.165 18.525 1.00 0.00 C ATOM 78 C ILE A 9 -6.836 25.551 17.594 1.00 0.00 C ATOM 79 O ILE A 9 -7.789 24.923 18.054 1.00 0.00 O ATOM 80 CB ILE A 9 -4.556 25.282 18.731 1.00 0.00 C ATOM 81 CG1 ILE A 9 -3.492 26.010 19.555 1.00 0.00 C ATOM 82 CG2 ILE A 9 -4.006 24.787 17.392 1.00 0.00 C ATOM 83 CD1 ILE A 9 -2.966 25.118 20.682 1.00 0.00 C ATOM 0 H ILE A 9 -6.642 25.673 20.374 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.424 27.072 18.042 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.857 24.402 19.300 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.667 26.309 18.908 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.914 26.923 19.976 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.131 24.162 17.567 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.771 24.205 16.877 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.724 25.641 16.776 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.211 25.659 21.252 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.789 24.841 21.341 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.523 24.218 20.257 1.00 0.00 H new ATOM 95 N TYR A 10 -6.625 25.754 16.302 1.00 0.00 N ATOM 96 CA TYR A 10 -7.539 25.228 15.303 1.00 0.00 C ATOM 97 C TYR A 10 -6.787 24.801 14.041 1.00 0.00 C ATOM 98 O TYR A 10 -6.839 25.487 13.021 1.00 0.00 O ATOM 99 CB TYR A 10 -8.488 26.376 14.952 1.00 0.00 C ATOM 100 CG TYR A 10 -7.797 27.579 14.306 1.00 0.00 C ATOM 101 CD1 TYR A 10 -6.956 28.377 15.056 1.00 0.00 C ATOM 102 CD2 TYR A 10 -8.014 27.866 12.974 1.00 0.00 C ATOM 103 CE1 TYR A 10 -6.305 29.508 14.448 1.00 0.00 C ATOM 104 CE2 TYR A 10 -7.363 28.998 12.366 1.00 0.00 C ATOM 105 CZ TYR A 10 -6.541 29.763 13.133 1.00 0.00 C ATOM 106 OH TYR A 10 -5.927 30.832 12.559 1.00 0.00 O ATOM 0 H TYR A 10 -5.834 26.276 15.924 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.064 24.354 15.688 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.257 26.004 14.274 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.995 26.705 15.859 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.787 28.153 16.099 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.672 27.242 12.387 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.644 30.140 15.023 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.524 29.234 11.324 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.187 30.891 11.616 1.00 0.00 H new ATOM 116 N VAL A 11 -6.104 23.671 14.151 1.00 0.00 N ATOM 117 CA VAL A 11 -5.341 23.145 13.032 1.00 0.00 C ATOM 118 C VAL A 11 -5.447 21.619 13.021 1.00 0.00 C ATOM 119 O VAL A 11 -4.928 20.951 13.914 1.00 0.00 O ATOM 120 CB VAL A 11 -3.896 23.644 13.103 1.00 0.00 C ATOM 121 CG1 VAL A 11 -2.944 22.663 12.416 1.00 0.00 C ATOM 122 CG2 VAL A 11 -3.770 25.045 12.500 1.00 0.00 C ATOM 0 H VAL A 11 -6.063 23.105 14.998 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.749 23.506 12.088 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.613 23.705 14.154 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.924 23.041 12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.003 21.693 12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.226 22.556 11.369 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.733 25.376 12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.080 25.021 11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.406 25.737 13.052 1.00 0.00 H new ATOM 132 N ASP A 12 -6.122 21.112 12.000 1.00 0.00 N ATOM 133 CA ASP A 12 -6.302 19.677 11.861 1.00 0.00 C ATOM 134 C ASP A 12 -5.912 19.253 10.443 1.00 0.00 C ATOM 135 O ASP A 12 -6.739 19.285 9.533 1.00 0.00 O ATOM 136 CB ASP A 12 -7.763 19.280 12.088 1.00 0.00 C ATOM 137 CG ASP A 12 -8.789 20.147 11.356 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.972 21.303 11.794 1.00 0.00 O ATOM 139 OD2 ASP A 12 -9.367 19.633 10.374 1.00 0.00 O ATOM 0 H ASP A 12 -6.551 21.669 11.261 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.675 19.185 12.605 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.895 18.244 11.775 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.973 19.319 13.157 1.00 0.00 H new ATOM 144 N LEU A 13 -4.653 18.866 10.301 1.00 0.00 N ATOM 145 CA LEU A 13 -4.144 18.437 9.010 1.00 0.00 C ATOM 146 C LEU A 13 -5.161 17.504 8.350 1.00 0.00 C ATOM 147 O LEU A 13 -5.875 16.773 9.035 1.00 0.00 O ATOM 148 CB LEU A 13 -2.752 17.820 9.161 1.00 0.00 C ATOM 149 CG LEU A 13 -1.601 18.805 9.370 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.520 18.204 10.271 1.00 0.00 C ATOM 151 CD2 LEU A 13 -1.032 19.276 8.029 1.00 0.00 C ATOM 0 H LEU A 13 -3.971 18.841 11.059 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.018 19.293 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.772 17.130 10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.540 17.228 8.271 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.993 19.684 9.881 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.286 18.926 10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.950 17.959 11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.125 17.298 9.811 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.215 19.976 8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.660 18.417 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.815 19.771 7.455 1.00 0.00 H new ATOM 163 N PRO A 14 -5.197 17.561 6.991 1.00 0.00 N ATOM 164 CA PRO A 14 -6.115 16.731 6.231 1.00 0.00 C ATOM 165 C PRO A 14 -5.636 15.278 6.191 1.00 0.00 C ATOM 166 O PRO A 14 -4.456 15.004 6.402 1.00 0.00 O ATOM 167 CB PRO A 14 -6.178 17.373 4.854 1.00 0.00 C ATOM 168 CG PRO A 14 -4.947 18.258 4.751 1.00 0.00 C ATOM 169 CD PRO A 14 -4.367 18.415 6.146 1.00 0.00 C ATOM 0 HA PRO A 14 -7.107 16.682 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.182 16.616 4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.090 17.958 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.212 17.813 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.210 19.231 4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.322 18.107 6.177 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.403 19.453 6.475 1.00 0.00 H new ATOM 177 N ASN A 15 -6.577 14.385 5.920 1.00 0.00 N ATOM 178 CA ASN A 15 -6.266 12.968 5.851 1.00 0.00 C ATOM 179 C ASN A 15 -7.345 12.253 5.035 1.00 0.00 C ATOM 180 O ASN A 15 -8.507 12.654 5.050 1.00 0.00 O ATOM 181 CB ASN A 15 -6.235 12.342 7.246 1.00 0.00 C ATOM 182 CG ASN A 15 -7.157 13.096 8.206 1.00 0.00 C ATOM 183 OD1 ASN A 15 -8.305 12.739 8.415 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.593 14.157 8.776 1.00 0.00 N ATOM 0 H ASN A 15 -7.555 14.616 5.746 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.286 12.860 5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.542 11.298 7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.215 12.354 7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.126 14.727 9.432 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.627 14.400 8.557 1.00 0.00 H new ATOM 191 N ARG A 16 -6.921 11.206 4.342 1.00 0.00 N ATOM 192 CA ARG A 16 -7.837 10.431 3.522 1.00 0.00 C ATOM 193 C ARG A 16 -7.386 8.971 3.458 1.00 0.00 C ATOM 194 O ARG A 16 -6.226 8.687 3.163 1.00 0.00 O ATOM 195 CB ARG A 16 -7.916 10.996 2.102 1.00 0.00 C ATOM 196 CG ARG A 16 -9.122 10.426 1.352 1.00 0.00 C ATOM 197 CD ARG A 16 -10.425 11.054 1.851 1.00 0.00 C ATOM 198 NE ARG A 16 -10.701 12.304 1.109 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.890 12.921 1.092 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.921 12.408 1.777 1.00 0.00 N ATOM 201 NH2 ARG A 16 -12.048 14.052 0.391 1.00 0.00 N ATOM 0 H ARG A 16 -5.956 10.876 4.331 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.824 10.490 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.989 12.083 2.143 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.001 10.758 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.011 10.611 0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.160 9.345 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.250 10.354 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.352 11.263 2.918 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.938 12.722 0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.801 11.548 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.826 12.878 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.263 14.443 -0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.953 14.522 0.378 1.00 0.00 H new ATOM 215 N GLN A 17 -8.327 8.081 3.740 1.00 0.00 N ATOM 216 CA GLN A 17 -8.041 6.657 3.718 1.00 0.00 C ATOM 217 C GLN A 17 -9.078 5.920 2.868 1.00 0.00 C ATOM 218 O GLN A 17 -10.277 6.013 3.126 1.00 0.00 O ATOM 219 CB GLN A 17 -7.990 6.086 5.137 1.00 0.00 C ATOM 220 CG GLN A 17 -9.395 5.750 5.643 1.00 0.00 C ATOM 221 CD GLN A 17 -10.293 6.988 5.632 1.00 0.00 C ATOM 222 OE1 GLN A 17 -11.354 7.012 5.031 1.00 0.00 O ATOM 223 NE2 GLN A 17 -9.810 8.013 6.330 1.00 0.00 N ATOM 0 H GLN A 17 -9.288 8.319 3.985 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.060 6.511 3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.371 5.189 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.521 6.807 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.834 4.972 5.018 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.335 5.349 6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.914 7.926 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.336 8.885 6.385 1.00 0.00 H new ATOM 232 N LEU A 18 -8.578 5.205 1.871 1.00 0.00 N ATOM 233 CA LEU A 18 -9.446 4.453 0.981 1.00 0.00 C ATOM 234 C LEU A 18 -9.467 2.986 1.415 1.00 0.00 C ATOM 235 O LEU A 18 -8.611 2.550 2.183 1.00 0.00 O ATOM 236 CB LEU A 18 -9.026 4.657 -0.476 1.00 0.00 C ATOM 237 CG LEU A 18 -8.565 6.067 -0.850 1.00 0.00 C ATOM 238 CD1 LEU A 18 -9.643 7.102 -0.519 1.00 0.00 C ATOM 239 CD2 LEU A 18 -7.227 6.401 -0.188 1.00 0.00 C ATOM 0 H LEU A 18 -7.583 5.131 1.660 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.470 4.820 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.219 3.960 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.866 4.389 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.407 6.100 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.290 8.096 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.551 6.872 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.856 7.076 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.923 7.409 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.333 6.344 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.471 5.688 -0.516 1.00 0.00 H new ATOM 251 N LYS A 19 -10.454 2.265 0.904 1.00 0.00 N ATOM 252 CA LYS A 19 -10.598 0.856 1.230 1.00 0.00 C ATOM 253 C LYS A 19 -10.223 0.014 0.009 1.00 0.00 C ATOM 254 O LYS A 19 -10.921 0.038 -1.004 1.00 0.00 O ATOM 255 CB LYS A 19 -12.002 0.571 1.766 1.00 0.00 C ATOM 256 CG LYS A 19 -13.021 0.505 0.627 1.00 0.00 C ATOM 257 CD LYS A 19 -13.214 -0.934 0.145 1.00 0.00 C ATOM 258 CE LYS A 19 -13.722 -0.966 -1.298 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.202 -0.998 -1.325 1.00 0.00 N ATOM 0 H LYS A 19 -11.162 2.630 0.267 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.914 0.578 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.002 -0.372 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -12.291 1.350 2.472 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.975 0.910 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.685 1.128 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.270 -1.474 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.923 -1.447 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.361 -0.090 -1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.324 -1.842 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.531 -1.019 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.540 -1.847 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.576 -0.150 -0.854 1.00 0.00 H new ATOM 273 N VAL A 20 -9.122 -0.710 0.145 1.00 0.00 N ATOM 274 CA VAL A 20 -8.646 -1.558 -0.935 1.00 0.00 C ATOM 275 C VAL A 20 -9.248 -2.957 -0.783 1.00 0.00 C ATOM 276 O VAL A 20 -9.098 -3.590 0.261 1.00 0.00 O ATOM 277 CB VAL A 20 -7.116 -1.565 -0.959 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.590 -2.394 -2.133 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.562 -0.140 -1.003 1.00 0.00 C ATOM 0 H VAL A 20 -8.546 -0.727 0.986 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.971 -1.167 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.769 -2.031 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.500 -2.383 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.943 -3.421 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.952 -1.969 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.473 -0.173 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.923 0.363 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.895 0.407 -0.121 1.00 0.00 H new ATOM 289 N LYS A 21 -9.916 -3.397 -1.839 1.00 0.00 N ATOM 290 CA LYS A 21 -10.540 -4.709 -1.835 1.00 0.00 C ATOM 291 C LYS A 21 -9.527 -5.753 -2.308 1.00 0.00 C ATOM 292 O LYS A 21 -9.589 -6.212 -3.447 1.00 0.00 O ATOM 293 CB LYS A 21 -11.831 -4.689 -2.656 1.00 0.00 C ATOM 294 CG LYS A 21 -13.061 -4.696 -1.745 1.00 0.00 C ATOM 295 CD LYS A 21 -13.754 -6.060 -1.770 1.00 0.00 C ATOM 296 CE LYS A 21 -15.274 -5.903 -1.703 1.00 0.00 C ATOM 297 NZ LYS A 21 -15.845 -5.798 -3.065 1.00 0.00 N ATOM 0 H LYS A 21 -10.039 -2.869 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.836 -4.987 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.849 -3.803 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.859 -5.555 -3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.764 -4.454 -0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.760 -3.923 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.480 -6.595 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.410 -6.663 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.711 -6.756 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.529 -5.014 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.878 -5.692 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.441 -4.970 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.618 -6.658 -3.604 1.00 0.00 H new ATOM 311 N VAL A 22 -8.617 -6.097 -1.409 1.00 0.00 N ATOM 312 CA VAL A 22 -7.591 -7.078 -1.720 1.00 0.00 C ATOM 313 C VAL A 22 -8.213 -8.477 -1.719 1.00 0.00 C ATOM 314 O VAL A 22 -9.426 -8.621 -1.576 1.00 0.00 O ATOM 315 CB VAL A 22 -6.423 -6.943 -0.741 1.00 0.00 C ATOM 316 CG1 VAL A 22 -5.869 -5.517 -0.744 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.837 -7.367 0.669 1.00 0.00 C ATOM 0 H VAL A 22 -8.569 -5.714 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.184 -6.903 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.629 -7.613 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.040 -5.447 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.518 -5.265 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.654 -4.821 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.988 -7.261 1.345 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.656 -6.735 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.162 -8.407 0.655 1.00 0.00 H new ATOM 327 N ALA A 23 -7.353 -9.472 -1.879 1.00 0.00 N ATOM 328 CA ALA A 23 -7.802 -10.853 -1.899 1.00 0.00 C ATOM 329 C ALA A 23 -7.067 -11.639 -0.811 1.00 0.00 C ATOM 330 O ALA A 23 -7.681 -12.413 -0.077 1.00 0.00 O ATOM 331 CB ALA A 23 -7.581 -11.443 -3.293 1.00 0.00 C ATOM 0 H ALA A 23 -6.347 -9.349 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.869 -10.912 -1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.918 -12.479 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.147 -10.867 -4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.520 -11.403 -3.541 1.00 0.00 H new ATOM 337 N ASP A 24 -5.764 -11.414 -0.741 1.00 0.00 N ATOM 338 CA ASP A 24 -4.939 -12.091 0.245 1.00 0.00 C ATOM 339 C ASP A 24 -3.618 -11.335 0.406 1.00 0.00 C ATOM 340 O ASP A 24 -3.102 -10.769 -0.557 1.00 0.00 O ATOM 341 CB ASP A 24 -4.615 -13.520 -0.195 1.00 0.00 C ATOM 342 CG ASP A 24 -4.778 -14.585 0.891 1.00 0.00 C ATOM 343 OD1 ASP A 24 -5.944 -14.844 1.261 1.00 0.00 O ATOM 344 OD2 ASP A 24 -3.734 -15.115 1.327 1.00 0.00 O ATOM 0 H ASP A 24 -5.258 -10.772 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.492 -12.119 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.258 -13.779 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.588 -13.548 -0.558 1.00 0.00 H new ATOM 349 N ARG A 25 -3.110 -11.350 1.629 1.00 0.00 N ATOM 350 CA ARG A 25 -1.859 -10.673 1.928 1.00 0.00 C ATOM 351 C ARG A 25 -0.961 -11.569 2.783 1.00 0.00 C ATOM 352 O ARG A 25 0.185 -11.832 2.422 1.00 0.00 O ATOM 353 CB ARG A 25 -2.109 -9.357 2.667 1.00 0.00 C ATOM 354 CG ARG A 25 -1.496 -8.177 1.910 1.00 0.00 C ATOM 355 CD ARG A 25 -1.812 -6.853 2.607 1.00 0.00 C ATOM 356 NE ARG A 25 -0.675 -6.447 3.463 1.00 0.00 N ATOM 357 CZ ARG A 25 -0.769 -5.568 4.470 1.00 0.00 C ATOM 358 NH1 ARG A 25 -1.948 -4.998 4.754 1.00 0.00 N ATOM 359 NH2 ARG A 25 0.316 -5.260 5.193 1.00 0.00 N ATOM 0 H ARG A 25 -3.542 -11.820 2.425 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.364 -10.456 0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.181 -9.200 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.683 -9.412 3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.416 -8.307 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.880 -8.156 0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.013 -6.081 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.714 -6.957 3.211 1.00 0.00 H new ATOM 0 HE ARG A 25 0.237 -6.862 3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.774 -5.233 4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.020 -4.329 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.213 -5.695 4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.245 -4.591 5.960 1.00 0.00 H new ATOM 373 N ARG A 26 -1.517 -12.013 3.902 1.00 0.00 N ATOM 374 CA ARG A 26 -0.780 -12.874 4.812 1.00 0.00 C ATOM 375 C ARG A 26 0.482 -12.166 5.308 1.00 0.00 C ATOM 376 O ARG A 26 1.508 -12.172 4.630 1.00 0.00 O ATOM 377 CB ARG A 26 -0.387 -14.187 4.131 1.00 0.00 C ATOM 378 CG ARG A 26 -0.897 -15.391 4.926 1.00 0.00 C ATOM 379 CD ARG A 26 -0.256 -16.687 4.427 1.00 0.00 C ATOM 380 NE ARG A 26 -0.963 -17.854 5.000 1.00 0.00 N ATOM 381 CZ ARG A 26 -0.689 -19.128 4.685 1.00 0.00 C ATOM 382 NH1 ARG A 26 0.279 -19.406 3.802 1.00 0.00 N ATOM 383 NH2 ARG A 26 -1.383 -20.123 5.255 1.00 0.00 N ATOM 0 H ARG A 26 -2.468 -11.793 4.198 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.431 -13.097 5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.796 -14.214 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.698 -14.242 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.673 -15.254 5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.981 -15.459 4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.295 -16.726 3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.796 -16.714 4.709 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.705 -17.678 5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.808 -18.648 3.369 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.488 -20.375 3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.119 -19.911 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.175 -21.092 5.016 1.00 0.00 H new ATOM 397 N VAL A 27 0.365 -11.573 6.487 1.00 0.00 N ATOM 398 CA VAL A 27 1.484 -10.862 7.081 1.00 0.00 C ATOM 399 C VAL A 27 2.739 -11.732 6.995 1.00 0.00 C ATOM 400 O VAL A 27 2.653 -12.926 6.712 1.00 0.00 O ATOM 401 CB VAL A 27 1.140 -10.450 8.514 1.00 0.00 C ATOM 402 CG1 VAL A 27 0.008 -9.421 8.531 1.00 0.00 C ATOM 403 CG2 VAL A 27 0.785 -11.670 9.366 1.00 0.00 C ATOM 0 H VAL A 27 -0.488 -11.570 7.047 1.00 0.00 H new ATOM 0 HA VAL A 27 1.687 -9.943 6.532 1.00 0.00 H new ATOM 0 HB VAL A 27 2.024 -9.984 8.950 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.217 -9.145 9.561 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.314 -8.534 7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.881 -9.850 8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.545 -11.349 10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.076 -12.178 8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.633 -12.354 9.394 1.00 0.00 H new ATOM 413 N ILE A 28 3.877 -11.100 7.244 1.00 0.00 N ATOM 414 CA ILE A 28 5.148 -11.802 7.197 1.00 0.00 C ATOM 415 C ILE A 28 6.051 -11.288 8.321 1.00 0.00 C ATOM 416 O ILE A 28 6.293 -10.087 8.427 1.00 0.00 O ATOM 417 CB ILE A 28 5.773 -11.688 5.806 1.00 0.00 C ATOM 418 CG1 ILE A 28 6.754 -12.833 5.549 1.00 0.00 C ATOM 419 CG2 ILE A 28 6.427 -10.318 5.609 1.00 0.00 C ATOM 420 CD1 ILE A 28 6.602 -13.377 4.127 1.00 0.00 C ATOM 0 H ILE A 28 3.945 -10.110 7.479 1.00 0.00 H new ATOM 0 HA ILE A 28 5.000 -12.868 7.368 1.00 0.00 H new ATOM 0 HB ILE A 28 4.977 -11.775 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 28 7.775 -12.483 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.581 -13.633 6.269 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.864 -10.263 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.675 -9.537 5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.209 -10.177 6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.311 -14.190 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.587 -13.749 3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.800 -12.580 3.410 1.00 0.00 H new ATOM 432 N SER A 29 6.524 -12.224 9.132 1.00 0.00 N ATOM 433 CA SER A 29 7.394 -11.880 10.243 1.00 0.00 C ATOM 434 C SER A 29 8.691 -11.260 9.720 1.00 0.00 C ATOM 435 O SER A 29 9.425 -11.893 8.963 1.00 0.00 O ATOM 436 CB SER A 29 7.702 -13.109 11.102 1.00 0.00 C ATOM 437 OG SER A 29 7.812 -12.780 12.484 1.00 0.00 O ATOM 0 H SER A 29 6.321 -13.219 9.041 1.00 0.00 H new ATOM 0 HA SER A 29 6.878 -11.152 10.869 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.916 -13.852 10.968 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.632 -13.565 10.763 1.00 0.00 H new ATOM 0 HG SER A 29 8.007 -13.591 12.999 1.00 0.00 H new ATOM 443 N THR A 30 8.934 -10.028 10.144 1.00 0.00 N ATOM 444 CA THR A 30 10.130 -9.316 9.728 1.00 0.00 C ATOM 445 C THR A 30 10.916 -8.835 10.949 1.00 0.00 C ATOM 446 O THR A 30 10.381 -8.783 12.055 1.00 0.00 O ATOM 447 CB THR A 30 9.703 -8.180 8.795 1.00 0.00 C ATOM 448 OG1 THR A 30 10.829 -7.308 8.772 1.00 0.00 O ATOM 449 CG2 THR A 30 8.582 -7.325 9.389 1.00 0.00 C ATOM 0 H THR A 30 8.323 -9.505 10.771 1.00 0.00 H new ATOM 0 HA THR A 30 10.809 -9.969 9.180 1.00 0.00 H new ATOM 0 HB THR A 30 9.376 -8.596 7.842 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.639 -6.544 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.317 -6.534 8.687 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.709 -7.950 9.578 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.920 -6.881 10.325 1.00 0.00 H new ATOM 457 N THR A 31 12.174 -8.497 10.707 1.00 0.00 N ATOM 458 CA THR A 31 13.040 -8.023 11.773 1.00 0.00 C ATOM 459 C THR A 31 14.346 -7.474 11.195 1.00 0.00 C ATOM 460 O THR A 31 14.743 -7.841 10.091 1.00 0.00 O ATOM 461 CB THR A 31 13.249 -9.174 12.760 1.00 0.00 C ATOM 462 OG1 THR A 31 13.960 -8.579 13.842 1.00 0.00 O ATOM 463 CG2 THR A 31 14.209 -10.238 12.224 1.00 0.00 C ATOM 0 H THR A 31 12.614 -8.542 9.788 1.00 0.00 H new ATOM 0 HA THR A 31 12.585 -7.192 12.312 1.00 0.00 H new ATOM 0 HB THR A 31 12.288 -9.634 12.989 1.00 0.00 H new ATOM 0 HG1 THR A 31 14.136 -9.255 14.529 1.00 0.00 H new ATOM 0 HG21 THR A 31 14.322 -11.031 12.963 1.00 0.00 H new ATOM 0 HG22 THR A 31 13.809 -10.657 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 31 15.181 -9.785 12.026 1.00 0.00 H new ATOM 471 N ASP A 32 14.978 -6.603 11.969 1.00 0.00 N ATOM 472 CA ASP A 32 16.231 -6.000 11.547 1.00 0.00 C ATOM 473 C ASP A 32 16.053 -5.381 10.159 1.00 0.00 C ATOM 474 O ASP A 32 16.253 -6.051 9.147 1.00 0.00 O ATOM 475 CB ASP A 32 17.344 -7.046 11.459 1.00 0.00 C ATOM 476 CG ASP A 32 18.414 -6.944 12.548 1.00 0.00 C ATOM 477 OD1 ASP A 32 18.778 -5.796 12.881 1.00 0.00 O ATOM 478 OD2 ASP A 32 18.843 -8.018 13.024 1.00 0.00 O ATOM 0 H ASP A 32 14.646 -6.301 12.885 1.00 0.00 H new ATOM 0 HA ASP A 32 16.505 -5.243 12.282 1.00 0.00 H new ATOM 0 HB2 ASP A 32 16.894 -8.038 11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.828 -6.959 10.486 1.00 0.00 H new ATOM 483 N ALA A 33 15.678 -4.110 10.157 1.00 0.00 N ATOM 484 CA ALA A 33 15.471 -3.394 8.910 1.00 0.00 C ATOM 485 C ALA A 33 15.329 -1.899 9.203 1.00 0.00 C ATOM 486 O ALA A 33 14.320 -1.465 9.757 1.00 0.00 O ATOM 487 CB ALA A 33 14.248 -3.966 8.189 1.00 0.00 C ATOM 0 H ALA A 33 15.512 -3.558 10.999 1.00 0.00 H new ATOM 0 HA ALA A 33 16.328 -3.520 8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.093 -3.429 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.411 -5.023 7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.367 -3.855 8.822 1.00 0.00 H new ATOM 493 N GLU A 34 16.354 -1.153 8.818 1.00 0.00 N ATOM 494 CA GLU A 34 16.355 0.284 9.032 1.00 0.00 C ATOM 495 C GLU A 34 15.394 0.968 8.058 1.00 0.00 C ATOM 496 O GLU A 34 14.518 1.725 8.473 1.00 0.00 O ATOM 497 CB GLU A 34 17.768 0.856 8.901 1.00 0.00 C ATOM 498 CG GLU A 34 18.544 0.707 10.211 1.00 0.00 C ATOM 499 CD GLU A 34 19.080 2.059 10.688 1.00 0.00 C ATOM 500 OE1 GLU A 34 18.335 2.735 11.430 1.00 0.00 O ATOM 501 OE2 GLU A 34 20.222 2.386 10.299 1.00 0.00 O ATOM 0 H GLU A 34 17.189 -1.517 8.359 1.00 0.00 H new ATOM 0 HA GLU A 34 16.011 0.480 10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.299 0.343 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.714 1.909 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.895 0.279 10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.372 0.013 10.070 1.00 0.00 H new ATOM 508 N ARG A 35 15.590 0.675 6.780 1.00 0.00 N ATOM 509 CA ARG A 35 14.752 1.252 5.743 1.00 0.00 C ATOM 510 C ARG A 35 14.126 0.147 4.891 1.00 0.00 C ATOM 511 O ARG A 35 14.837 -0.624 4.247 1.00 0.00 O ATOM 512 CB ARG A 35 15.558 2.188 4.841 1.00 0.00 C ATOM 513 CG ARG A 35 15.273 3.654 5.178 1.00 0.00 C ATOM 514 CD ARG A 35 16.430 4.269 5.968 1.00 0.00 C ATOM 515 NE ARG A 35 17.293 5.064 5.065 1.00 0.00 N ATOM 516 CZ ARG A 35 18.570 5.375 5.328 1.00 0.00 C ATOM 517 NH1 ARG A 35 19.140 4.960 6.467 1.00 0.00 N ATOM 518 NH2 ARG A 35 19.276 6.102 4.451 1.00 0.00 N ATOM 0 H ARG A 35 16.317 0.046 6.440 1.00 0.00 H new ATOM 0 HA ARG A 35 13.966 1.827 6.233 1.00 0.00 H new ATOM 0 HB2 ARG A 35 16.622 1.984 4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 35 15.310 1.996 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 35 15.115 4.218 4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 35 14.353 3.725 5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 35 16.041 4.903 6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 35 17.015 3.482 6.444 1.00 0.00 H new ATOM 0 HE ARG A 35 16.891 5.396 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 35 18.602 4.407 7.134 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.112 5.197 6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.842 6.418 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 35 20.248 6.339 4.650 1.00 0.00 H new ATOM 532 N GLN A 36 12.802 0.104 4.913 1.00 0.00 N ATOM 533 CA GLN A 36 12.072 -0.895 4.150 1.00 0.00 C ATOM 534 C GLN A 36 12.369 -2.296 4.689 1.00 0.00 C ATOM 535 O GLN A 36 13.432 -2.532 5.262 1.00 0.00 O ATOM 536 CB GLN A 36 12.406 -0.798 2.660 1.00 0.00 C ATOM 537 CG GLN A 36 11.267 -1.358 1.806 1.00 0.00 C ATOM 538 CD GLN A 36 11.470 -2.850 1.534 1.00 0.00 C ATOM 539 OE1 GLN A 36 10.723 -3.699 1.994 1.00 0.00 O ATOM 540 NE2 GLN A 36 12.518 -3.122 0.762 1.00 0.00 N ATOM 0 H GLN A 36 12.215 0.745 5.447 1.00 0.00 H new ATOM 0 HA GLN A 36 11.005 -0.703 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.589 0.242 2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.325 -1.347 2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.316 -1.203 2.315 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.215 -0.816 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.103 -2.364 0.410 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.737 -4.089 0.522 1.00 0.00 H new ATOM 549 N ALA A 37 11.412 -3.188 4.485 1.00 0.00 N ATOM 550 CA ALA A 37 11.557 -4.560 4.943 1.00 0.00 C ATOM 551 C ALA A 37 12.351 -5.357 3.907 1.00 0.00 C ATOM 552 O ALA A 37 13.580 -5.396 3.956 1.00 0.00 O ATOM 553 CB ALA A 37 10.175 -5.160 5.206 1.00 0.00 C ATOM 0 H ALA A 37 10.533 -2.988 4.009 1.00 0.00 H new ATOM 0 HA ALA A 37 12.111 -4.595 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.284 -6.189 5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.664 -4.575 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.591 -5.145 4.286 1.00 0.00 H new ATOM 559 N VAL A 38 11.617 -5.973 2.992 1.00 0.00 N ATOM 560 CA VAL A 38 12.238 -6.767 1.945 1.00 0.00 C ATOM 561 C VAL A 38 11.400 -6.665 0.669 1.00 0.00 C ATOM 562 O VAL A 38 11.924 -6.352 -0.399 1.00 0.00 O ATOM 563 CB VAL A 38 12.426 -8.208 2.423 1.00 0.00 C ATOM 564 CG1 VAL A 38 13.364 -8.978 1.491 1.00 0.00 C ATOM 565 CG2 VAL A 38 12.934 -8.246 3.866 1.00 0.00 C ATOM 0 H VAL A 38 10.598 -5.938 2.954 1.00 0.00 H new ATOM 0 HA VAL A 38 13.232 -6.383 1.713 1.00 0.00 H new ATOM 0 HB VAL A 38 11.453 -8.698 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.480 -9.999 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.944 -8.996 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.337 -8.488 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.059 -9.282 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.892 -7.730 3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.213 -7.753 4.519 1.00 0.00 H new ATOM 575 N THR A 39 10.112 -6.935 0.822 1.00 0.00 N ATOM 576 CA THR A 39 9.196 -6.877 -0.305 1.00 0.00 C ATOM 577 C THR A 39 7.899 -6.172 0.097 1.00 0.00 C ATOM 578 O THR A 39 7.556 -6.122 1.277 1.00 0.00 O ATOM 579 CB THR A 39 8.980 -8.305 -0.812 1.00 0.00 C ATOM 580 OG1 THR A 39 8.834 -9.077 0.376 1.00 0.00 O ATOM 581 CG2 THR A 39 10.229 -8.884 -1.481 1.00 0.00 C ATOM 0 H THR A 39 9.681 -7.195 1.709 1.00 0.00 H new ATOM 0 HA THR A 39 9.610 -6.286 -1.122 1.00 0.00 H new ATOM 0 HB THR A 39 8.150 -8.317 -1.519 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.688 -10.017 0.140 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.022 -9.898 -1.822 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.506 -8.264 -2.333 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.050 -8.903 -0.764 1.00 0.00 H new ATOM 589 N PRO A 40 7.196 -5.632 -0.934 1.00 0.00 N ATOM 590 CA PRO A 40 7.673 -5.736 -2.302 1.00 0.00 C ATOM 591 C PRO A 40 8.840 -4.778 -2.551 1.00 0.00 C ATOM 592 O PRO A 40 8.849 -3.660 -2.039 1.00 0.00 O ATOM 593 CB PRO A 40 6.461 -5.432 -3.166 1.00 0.00 C ATOM 594 CG PRO A 40 5.472 -4.716 -2.260 1.00 0.00 C ATOM 595 CD PRO A 40 5.932 -4.909 -0.824 1.00 0.00 C ATOM 0 HA PRO A 40 8.073 -6.723 -2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.734 -4.807 -4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.029 -6.348 -3.569 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.427 -3.655 -2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.468 -5.118 -2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.066 -3.952 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.201 -5.475 -0.247 1.00 0.00 H new ATOM 603 N PRO A 41 9.821 -5.265 -3.357 1.00 0.00 N ATOM 604 CA PRO A 41 10.990 -4.464 -3.679 1.00 0.00 C ATOM 605 C PRO A 41 10.646 -3.376 -4.698 1.00 0.00 C ATOM 606 O PRO A 41 10.381 -3.672 -5.862 1.00 0.00 O ATOM 607 CB PRO A 41 12.017 -5.458 -4.197 1.00 0.00 C ATOM 608 CG PRO A 41 11.235 -6.703 -4.582 1.00 0.00 C ATOM 609 CD PRO A 41 9.844 -6.585 -3.980 1.00 0.00 C ATOM 0 HA PRO A 41 11.378 -3.922 -2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.554 -5.053 -5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.761 -5.685 -3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.175 -6.796 -5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.736 -7.598 -4.213 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.073 -6.676 -4.745 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.661 -7.372 -3.248 1.00 0.00 H new ATOM 617 N GLY A 42 10.660 -2.139 -4.222 1.00 0.00 N ATOM 618 CA GLY A 42 10.352 -1.005 -5.077 1.00 0.00 C ATOM 619 C GLY A 42 9.172 -0.205 -4.522 1.00 0.00 C ATOM 620 O GLY A 42 9.257 1.013 -4.376 1.00 0.00 O ATOM 0 H GLY A 42 10.880 -1.898 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.226 -0.360 -5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.118 -1.356 -6.082 1.00 0.00 H new ATOM 624 N LEU A 43 8.098 -0.923 -4.227 1.00 0.00 N ATOM 625 CA LEU A 43 6.902 -0.295 -3.692 1.00 0.00 C ATOM 626 C LEU A 43 7.306 0.798 -2.700 1.00 0.00 C ATOM 627 O LEU A 43 7.042 1.977 -2.929 1.00 0.00 O ATOM 628 CB LEU A 43 5.964 -1.348 -3.098 1.00 0.00 C ATOM 629 CG LEU A 43 4.531 -0.890 -2.823 1.00 0.00 C ATOM 630 CD1 LEU A 43 3.768 -0.659 -4.129 1.00 0.00 C ATOM 631 CD2 LEU A 43 3.807 -1.876 -1.904 1.00 0.00 C ATOM 0 H LEU A 43 8.031 -1.934 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 43 6.337 0.189 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.928 -2.199 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.396 -1.705 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 43 4.573 0.066 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.752 -0.334 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.273 0.109 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.734 -1.587 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.790 -1.527 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.775 -2.858 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.339 -1.947 -0.955 1.00 0.00 H new ATOM 643 N GLN A 44 7.940 0.367 -1.619 1.00 0.00 N ATOM 644 CA GLN A 44 8.382 1.294 -0.591 1.00 0.00 C ATOM 645 C GLN A 44 9.123 2.474 -1.224 1.00 0.00 C ATOM 646 O GLN A 44 8.817 3.630 -0.936 1.00 0.00 O ATOM 647 CB GLN A 44 9.260 0.587 0.444 1.00 0.00 C ATOM 648 CG GLN A 44 8.835 0.956 1.866 1.00 0.00 C ATOM 649 CD GLN A 44 9.839 1.916 2.507 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.809 1.516 3.130 1.00 0.00 O ATOM 651 NE2 GLN A 44 9.554 3.202 2.320 1.00 0.00 N ATOM 0 H GLN A 44 8.158 -0.612 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 44 7.503 1.677 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.191 -0.492 0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.303 0.862 0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.847 1.417 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.753 0.053 2.471 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.726 3.469 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.164 3.921 2.708 1.00 0.00 H new ATOM 660 N GLU A 45 10.083 2.141 -2.075 1.00 0.00 N ATOM 661 CA GLU A 45 10.869 3.159 -2.751 1.00 0.00 C ATOM 662 C GLU A 45 9.955 4.108 -3.527 1.00 0.00 C ATOM 663 O GLU A 45 10.089 5.327 -3.425 1.00 0.00 O ATOM 664 CB GLU A 45 11.911 2.523 -3.675 1.00 0.00 C ATOM 665 CG GLU A 45 13.222 2.267 -2.929 1.00 0.00 C ATOM 666 CD GLU A 45 14.130 1.326 -3.723 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.172 1.490 -4.962 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.762 0.465 -3.074 1.00 0.00 O ATOM 0 H GLU A 45 10.334 1.181 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 45 11.404 3.737 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.525 1.584 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.095 3.178 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.736 3.212 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.010 1.834 -1.951 1.00 0.00 H new ATOM 675 N ALA A 46 9.045 3.514 -4.286 1.00 0.00 N ATOM 676 CA ALA A 46 8.109 4.292 -5.079 1.00 0.00 C ATOM 677 C ALA A 46 7.414 5.317 -4.180 1.00 0.00 C ATOM 678 O ALA A 46 7.687 6.513 -4.270 1.00 0.00 O ATOM 679 CB ALA A 46 7.116 3.351 -5.765 1.00 0.00 C ATOM 0 H ALA A 46 8.936 2.503 -4.368 1.00 0.00 H new ATOM 0 HA ALA A 46 8.633 4.841 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.413 3.934 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.657 2.662 -6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.570 2.785 -5.010 1.00 0.00 H new ATOM 685 N ILE A 47 6.529 4.811 -3.334 1.00 0.00 N ATOM 686 CA ILE A 47 5.793 5.667 -2.419 1.00 0.00 C ATOM 687 C ILE A 47 6.778 6.555 -1.655 1.00 0.00 C ATOM 688 O ILE A 47 6.527 7.744 -1.463 1.00 0.00 O ATOM 689 CB ILE A 47 4.888 4.831 -1.513 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.820 4.100 -2.329 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.275 5.691 -0.406 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.476 2.750 -1.698 1.00 0.00 C ATOM 0 H ILE A 47 6.305 3.818 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 47 5.127 6.330 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 47 5.499 4.070 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.922 4.715 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.176 3.949 -3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.636 5.072 0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.070 6.125 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.681 6.489 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.715 2.251 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.371 2.129 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.097 2.906 -0.688 1.00 0.00 H new ATOM 704 N ASN A 48 7.877 5.943 -1.239 1.00 0.00 N ATOM 705 CA ASN A 48 8.900 6.662 -0.500 1.00 0.00 C ATOM 706 C ASN A 48 9.373 7.860 -1.327 1.00 0.00 C ATOM 707 O ASN A 48 9.769 8.884 -0.772 1.00 0.00 O ATOM 708 CB ASN A 48 10.112 5.770 -0.225 1.00 0.00 C ATOM 709 CG ASN A 48 11.323 6.604 0.195 1.00 0.00 C ATOM 710 OD1 ASN A 48 11.215 7.588 0.908 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.481 6.157 -0.285 1.00 0.00 N ATOM 0 H ASN A 48 8.081 4.957 -1.400 1.00 0.00 H new ATOM 0 HA ASN A 48 8.467 6.984 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.870 5.053 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.355 5.195 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.348 6.645 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.501 5.326 -0.877 1.00 0.00 H new ATOM 718 N ASP A 49 9.316 7.692 -2.640 1.00 0.00 N ATOM 719 CA ASP A 49 9.733 8.746 -3.548 1.00 0.00 C ATOM 720 C ASP A 49 8.613 9.782 -3.670 1.00 0.00 C ATOM 721 O ASP A 49 8.878 10.974 -3.817 1.00 0.00 O ATOM 722 CB ASP A 49 10.016 8.190 -4.945 1.00 0.00 C ATOM 723 CG ASP A 49 11.074 8.954 -5.743 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.648 9.902 -5.163 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.286 8.574 -6.915 1.00 0.00 O ATOM 0 H ASP A 49 8.987 6.841 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 49 10.642 9.195 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.335 7.152 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.086 8.187 -5.514 1.00 0.00 H new ATOM 730 N LEU A 50 7.385 9.289 -3.604 1.00 0.00 N ATOM 731 CA LEU A 50 6.224 10.156 -3.705 1.00 0.00 C ATOM 732 C LEU A 50 6.019 10.883 -2.375 1.00 0.00 C ATOM 733 O LEU A 50 5.436 11.966 -2.338 1.00 0.00 O ATOM 734 CB LEU A 50 5.001 9.362 -4.167 1.00 0.00 C ATOM 735 CG LEU A 50 4.829 9.214 -5.680 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.161 7.882 -6.028 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.071 10.407 -6.266 1.00 0.00 C ATOM 0 H LEU A 50 7.169 8.300 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 50 6.384 10.921 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.053 8.366 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.108 9.841 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 50 5.819 9.207 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.050 7.802 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.777 7.060 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.179 7.834 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.963 10.276 -7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.084 10.472 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.625 11.324 -6.066 1.00 0.00 H new ATOM 749 N VAL A 51 6.509 10.259 -1.314 1.00 0.00 N ATOM 750 CA VAL A 51 6.386 10.833 0.015 1.00 0.00 C ATOM 751 C VAL A 51 7.449 11.919 0.197 1.00 0.00 C ATOM 752 O VAL A 51 7.280 12.829 1.007 1.00 0.00 O ATOM 753 CB VAL A 51 6.472 9.730 1.072 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.552 10.324 2.480 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.293 8.762 0.951 1.00 0.00 C ATOM 0 H VAL A 51 6.992 9.361 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 51 5.412 11.307 0.137 1.00 0.00 H new ATOM 0 HB VAL A 51 7.388 9.166 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.612 9.518 3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.438 10.954 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.663 10.924 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.378 7.988 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.359 9.307 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.301 8.301 -0.037 1.00 0.00 H new ATOM 765 N LYS A 52 8.521 11.787 -0.571 1.00 0.00 N ATOM 766 CA LYS A 52 9.611 12.746 -0.505 1.00 0.00 C ATOM 767 C LYS A 52 9.431 13.793 -1.606 1.00 0.00 C ATOM 768 O LYS A 52 10.063 14.848 -1.573 1.00 0.00 O ATOM 769 CB LYS A 52 10.960 12.027 -0.555 1.00 0.00 C ATOM 770 CG LYS A 52 11.297 11.397 0.798 1.00 0.00 C ATOM 771 CD LYS A 52 12.656 11.881 1.306 1.00 0.00 C ATOM 772 CE LYS A 52 12.489 12.857 2.473 1.00 0.00 C ATOM 773 NZ LYS A 52 13.694 13.704 2.616 1.00 0.00 N ATOM 0 H LYS A 52 8.658 11.031 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 52 9.594 13.278 0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.936 11.255 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.742 12.733 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.523 11.649 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.305 10.311 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.255 11.027 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.199 12.367 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.613 13.485 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.315 12.304 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.564 14.361 3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.523 13.102 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.843 14.246 1.741 1.00 0.00 H new ATOM 787 N LYS A 53 8.565 13.466 -2.554 1.00 0.00 N ATOM 788 CA LYS A 53 8.293 14.365 -3.662 1.00 0.00 C ATOM 789 C LYS A 53 7.196 15.351 -3.257 1.00 0.00 C ATOM 790 O LYS A 53 7.043 16.403 -3.875 1.00 0.00 O ATOM 791 CB LYS A 53 7.969 13.571 -4.929 1.00 0.00 C ATOM 792 CG LYS A 53 9.248 13.179 -5.673 1.00 0.00 C ATOM 793 CD LYS A 53 9.244 13.731 -7.099 1.00 0.00 C ATOM 794 CE LYS A 53 7.957 13.347 -7.832 1.00 0.00 C ATOM 795 NZ LYS A 53 8.254 12.429 -8.955 1.00 0.00 N ATOM 0 H LYS A 53 8.042 12.590 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 53 9.179 14.954 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.407 12.674 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.332 14.167 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.117 13.558 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.339 12.093 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.342 14.816 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.106 13.346 -7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.265 12.870 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.464 14.244 -8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.370 12.178 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.897 12.897 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.704 11.566 -8.588 1.00 0.00 H new ATOM 809 N TYR A 54 6.461 14.975 -2.221 1.00 0.00 N ATOM 810 CA TYR A 54 5.382 15.813 -1.725 1.00 0.00 C ATOM 811 C TYR A 54 5.815 16.583 -0.476 1.00 0.00 C ATOM 812 O TYR A 54 6.896 16.346 0.060 1.00 0.00 O ATOM 813 CB TYR A 54 4.244 14.860 -1.354 1.00 0.00 C ATOM 814 CG TYR A 54 3.394 14.412 -2.545 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.004 14.002 -3.713 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.017 14.417 -2.451 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.204 13.580 -4.833 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.217 13.996 -3.571 1.00 0.00 C ATOM 819 CZ TYR A 54 1.850 13.598 -4.707 1.00 0.00 C ATOM 820 OH TYR A 54 1.094 13.200 -5.766 1.00 0.00 O ATOM 0 H TYR A 54 6.591 14.101 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 54 5.086 16.543 -2.478 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.665 13.979 -0.869 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.599 15.348 -0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.081 13.998 -3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.540 14.737 -1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.669 13.256 -5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.139 13.996 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 54 0.815 12.270 -5.637 1.00 0.00 H new ATOM 830 N THR A 55 4.947 17.488 -0.047 1.00 0.00 N ATOM 831 CA THR A 55 5.226 18.294 1.129 1.00 0.00 C ATOM 832 C THR A 55 4.642 17.633 2.379 1.00 0.00 C ATOM 833 O THR A 55 3.433 17.422 2.467 1.00 0.00 O ATOM 834 CB THR A 55 4.685 19.702 0.877 1.00 0.00 C ATOM 835 OG1 THR A 55 5.771 20.387 0.260 1.00 0.00 O ATOM 836 CG2 THR A 55 4.443 20.478 2.173 1.00 0.00 C ATOM 0 H THR A 55 4.050 17.681 -0.493 1.00 0.00 H new ATOM 0 HA THR A 55 6.298 18.370 1.311 1.00 0.00 H new ATOM 0 HB THR A 55 3.754 19.636 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.505 21.309 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.059 21.470 1.937 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.717 19.945 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.380 20.572 2.721 1.00 0.00 H new ATOM 844 N LEU A 56 5.527 17.325 3.315 1.00 0.00 N ATOM 845 CA LEU A 56 5.114 16.692 4.556 1.00 0.00 C ATOM 846 C LEU A 56 4.078 15.609 4.251 1.00 0.00 C ATOM 847 O LEU A 56 2.942 15.683 4.717 1.00 0.00 O ATOM 848 CB LEU A 56 4.630 17.742 5.558 1.00 0.00 C ATOM 849 CG LEU A 56 5.699 18.687 6.109 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.054 17.984 6.207 1.00 0.00 C ATOM 851 CD2 LEU A 56 5.778 19.970 5.278 1.00 0.00 C ATOM 0 H LEU A 56 6.529 17.502 3.239 1.00 0.00 H new ATOM 0 HA LEU A 56 5.961 16.198 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.855 18.341 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.162 17.226 6.397 1.00 0.00 H new ATOM 0 HG LEU A 56 5.412 18.975 7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.796 18.678 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.971 17.125 6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.362 17.648 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.546 20.624 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.030 19.721 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.815 20.480 5.303 1.00 0.00 H new ATOM 863 N ALA A 57 4.506 14.627 3.471 1.00 0.00 N ATOM 864 CA ALA A 57 3.630 13.530 3.099 1.00 0.00 C ATOM 865 C ALA A 57 4.011 12.284 3.899 1.00 0.00 C ATOM 866 O ALA A 57 5.129 12.183 4.403 1.00 0.00 O ATOM 867 CB ALA A 57 3.712 13.301 1.588 1.00 0.00 C ATOM 0 H ALA A 57 5.449 14.569 3.086 1.00 0.00 H new ATOM 0 HA ALA A 57 2.594 13.769 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.055 12.478 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.402 14.206 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.738 13.056 1.312 1.00 0.00 H new ATOM 873 N ARG A 58 3.061 11.365 3.992 1.00 0.00 N ATOM 874 CA ARG A 58 3.283 10.129 4.723 1.00 0.00 C ATOM 875 C ARG A 58 2.168 9.126 4.423 1.00 0.00 C ATOM 876 O ARG A 58 0.989 9.475 4.457 1.00 0.00 O ATOM 877 CB ARG A 58 3.338 10.384 6.231 1.00 0.00 C ATOM 878 CG ARG A 58 4.762 10.212 6.765 1.00 0.00 C ATOM 879 CD ARG A 58 4.940 10.944 8.096 1.00 0.00 C ATOM 880 NE ARG A 58 6.213 11.700 8.092 1.00 0.00 N ATOM 881 CZ ARG A 58 7.418 11.142 8.267 1.00 0.00 C ATOM 882 NH1 ARG A 58 7.523 9.820 8.462 1.00 0.00 N ATOM 883 NH2 ARG A 58 8.519 11.906 8.248 1.00 0.00 N ATOM 0 H ARG A 58 2.135 11.452 3.573 1.00 0.00 H new ATOM 0 HA ARG A 58 4.240 9.720 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.985 11.392 6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.668 9.695 6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.979 9.152 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.476 10.596 6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.104 11.624 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.935 10.228 8.918 1.00 0.00 H new ATOM 0 HE ARG A 58 6.170 12.709 7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.685 9.239 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.441 9.395 8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.439 12.912 8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.437 11.481 8.381 1.00 0.00 H new ATOM 897 N ALA A 59 2.579 7.901 4.134 1.00 0.00 N ATOM 898 CA ALA A 59 1.630 6.845 3.827 1.00 0.00 C ATOM 899 C ALA A 59 1.900 5.642 4.734 1.00 0.00 C ATOM 900 O ALA A 59 3.044 5.383 5.103 1.00 0.00 O ATOM 901 CB ALA A 59 1.724 6.488 2.343 1.00 0.00 C ATOM 0 H ALA A 59 3.558 7.616 4.106 1.00 0.00 H new ATOM 0 HA ALA A 59 0.610 7.180 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.012 5.696 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.494 7.368 1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.733 6.146 2.114 1.00 0.00 H new ATOM 907 N PHE A 60 0.826 4.940 5.068 1.00 0.00 N ATOM 908 CA PHE A 60 0.933 3.772 5.924 1.00 0.00 C ATOM 909 C PHE A 60 -0.013 2.663 5.460 1.00 0.00 C ATOM 910 O PHE A 60 -0.656 2.786 4.418 1.00 0.00 O ATOM 911 CB PHE A 60 0.532 4.212 7.334 1.00 0.00 C ATOM 912 CG PHE A 60 1.715 4.426 8.280 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.747 3.540 8.289 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.735 5.501 9.112 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.845 3.738 9.167 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.833 5.700 9.990 1.00 0.00 C ATOM 917 CZ PHE A 60 3.865 4.814 9.999 1.00 0.00 C ATOM 0 H PHE A 60 -0.122 5.158 4.761 1.00 0.00 H new ATOM 0 HA PHE A 60 1.950 3.381 5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.038 5.139 7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.131 3.461 7.763 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.731 2.686 7.628 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.915 6.204 9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.664 3.034 9.174 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.849 6.554 10.650 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.700 4.965 10.667 1.00 0.00 H new ATOM 927 N VAL A 61 -0.070 1.605 6.256 1.00 0.00 N ATOM 928 CA VAL A 61 -0.927 0.475 5.939 1.00 0.00 C ATOM 929 C VAL A 61 -1.501 -0.103 7.234 1.00 0.00 C ATOM 930 O VAL A 61 -0.796 -0.207 8.237 1.00 0.00 O ATOM 931 CB VAL A 61 -0.152 -0.556 5.116 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.202 -0.217 3.625 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.294 -0.671 5.604 1.00 0.00 C ATOM 0 H VAL A 61 0.463 1.507 7.120 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.768 0.795 5.324 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.631 -1.525 5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.357 -0.965 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.239 -0.209 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.240 0.765 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.823 -1.410 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.788 0.296 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.302 -0.981 6.649 1.00 0.00 H new ATOM 943 N ARG A 62 -2.774 -0.463 7.171 1.00 0.00 N ATOM 944 CA ARG A 62 -3.450 -1.028 8.326 1.00 0.00 C ATOM 945 C ARG A 62 -4.592 -1.942 7.878 1.00 0.00 C ATOM 946 O ARG A 62 -5.526 -1.496 7.214 1.00 0.00 O ATOM 947 CB ARG A 62 -4.012 0.073 9.228 1.00 0.00 C ATOM 948 CG ARG A 62 -3.028 0.420 10.348 1.00 0.00 C ATOM 949 CD ARG A 62 -3.360 1.778 10.968 1.00 0.00 C ATOM 950 NE ARG A 62 -2.665 1.925 12.267 1.00 0.00 N ATOM 951 CZ ARG A 62 -1.392 2.322 12.396 1.00 0.00 C ATOM 952 NH1 ARG A 62 -0.667 2.614 11.308 1.00 0.00 N ATOM 953 NH2 ARG A 62 -0.844 2.426 13.615 1.00 0.00 N ATOM 0 H ARG A 62 -3.355 -0.374 6.338 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.717 -1.606 8.889 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.221 0.963 8.634 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.959 -0.253 9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.059 -0.352 11.117 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.012 0.435 9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.059 2.579 10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.437 1.869 11.110 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.188 1.711 13.116 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.084 2.534 10.381 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.302 2.916 11.407 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.396 2.203 14.443 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.125 2.728 13.714 1.00 0.00 H new ATOM 967 N PRO A 63 -4.477 -3.240 8.270 1.00 0.00 N ATOM 968 CA PRO A 63 -5.488 -4.221 7.915 1.00 0.00 C ATOM 969 C PRO A 63 -6.748 -4.041 8.765 1.00 0.00 C ATOM 970 O PRO A 63 -6.734 -4.303 9.966 1.00 0.00 O ATOM 971 CB PRO A 63 -4.818 -5.569 8.125 1.00 0.00 C ATOM 972 CG PRO A 63 -3.623 -5.305 9.026 1.00 0.00 C ATOM 973 CD PRO A 63 -3.384 -3.805 9.057 1.00 0.00 C ATOM 0 HA PRO A 63 -5.832 -4.118 6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.505 -6.279 8.586 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.503 -6.001 7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.812 -5.682 10.031 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.741 -5.824 8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.393 -3.424 10.078 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.415 -3.549 8.629 1.00 0.00 H new ATOM 981 N SER A 64 -7.808 -3.595 8.107 1.00 0.00 N ATOM 982 CA SER A 64 -9.073 -3.376 8.786 1.00 0.00 C ATOM 983 C SER A 64 -10.129 -2.900 7.786 1.00 0.00 C ATOM 984 O SER A 64 -9.799 -2.267 6.784 1.00 0.00 O ATOM 985 CB SER A 64 -8.921 -2.362 9.921 1.00 0.00 C ATOM 986 OG SER A 64 -10.010 -2.421 10.839 1.00 0.00 O ATOM 0 H SER A 64 -7.816 -3.379 7.110 1.00 0.00 H new ATOM 0 HA SER A 64 -9.395 -4.322 9.221 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.988 -2.550 10.453 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.853 -1.358 9.503 1.00 0.00 H new ATOM 0 HG SER A 64 -9.875 -1.760 11.550 1.00 0.00 H new ATOM 992 N GLY A 65 -11.377 -3.221 8.093 1.00 0.00 N ATOM 993 CA GLY A 65 -12.482 -2.834 7.234 1.00 0.00 C ATOM 994 C GLY A 65 -13.804 -3.410 7.747 1.00 0.00 C ATOM 995 O GLY A 65 -14.637 -2.681 8.282 1.00 0.00 O ATOM 0 H GLY A 65 -11.647 -3.745 8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.548 -1.747 7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.298 -3.185 6.219 1.00 0.00 H new ATOM 999 N THR A 66 -13.953 -4.714 7.565 1.00 0.00 N ATOM 1000 CA THR A 66 -15.159 -5.397 8.002 1.00 0.00 C ATOM 1001 C THR A 66 -15.041 -6.902 7.750 1.00 0.00 C ATOM 1002 O THR A 66 -15.435 -7.709 8.590 1.00 0.00 O ATOM 1003 CB THR A 66 -16.351 -4.754 7.292 1.00 0.00 C ATOM 1004 OG1 THR A 66 -17.342 -5.778 7.280 1.00 0.00 O ATOM 1005 CG2 THR A 66 -16.075 -4.485 5.811 1.00 0.00 C ATOM 0 H THR A 66 -13.259 -5.315 7.121 1.00 0.00 H new ATOM 0 HA THR A 66 -15.306 -5.290 9.077 1.00 0.00 H new ATOM 0 HB THR A 66 -16.608 -3.819 7.789 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.151 -5.445 6.838 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.953 -4.028 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.224 -3.810 5.716 1.00 0.00 H new ATOM 0 HG23 THR A 66 -15.851 -5.425 5.306 1.00 0.00 H new ATOM 1013 N GLU A 67 -14.495 -7.233 6.588 1.00 0.00 N ATOM 1014 CA GLU A 67 -14.321 -8.627 6.215 1.00 0.00 C ATOM 1015 C GLU A 67 -12.850 -8.912 5.904 1.00 0.00 C ATOM 1016 O GLU A 67 -12.097 -9.332 6.781 1.00 0.00 O ATOM 1017 CB GLU A 67 -15.212 -8.992 5.026 1.00 0.00 C ATOM 1018 CG GLU A 67 -16.483 -9.706 5.493 1.00 0.00 C ATOM 1019 CD GLU A 67 -17.553 -9.690 4.400 1.00 0.00 C ATOM 1020 OE1 GLU A 67 -18.200 -8.631 4.254 1.00 0.00 O ATOM 1021 OE2 GLU A 67 -17.701 -10.739 3.736 1.00 0.00 O ATOM 0 H GLU A 67 -14.168 -6.561 5.894 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.623 -9.249 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.479 -8.089 4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.662 -9.634 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.248 -10.736 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.868 -9.222 6.391 1.00 0.00 H new ATOM 1028 N ASP A 68 -12.485 -8.673 4.653 1.00 0.00 N ATOM 1029 CA ASP A 68 -11.118 -8.899 4.216 1.00 0.00 C ATOM 1030 C ASP A 68 -10.606 -7.653 3.491 1.00 0.00 C ATOM 1031 O ASP A 68 -9.583 -7.703 2.809 1.00 0.00 O ATOM 1032 CB ASP A 68 -11.038 -10.078 3.244 1.00 0.00 C ATOM 1033 CG ASP A 68 -11.988 -9.995 2.048 1.00 0.00 C ATOM 1034 OD1 ASP A 68 -11.694 -9.181 1.145 1.00 0.00 O ATOM 1035 OD2 ASP A 68 -12.986 -10.747 2.063 1.00 0.00 O ATOM 0 H ASP A 68 -13.112 -8.325 3.928 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.514 -9.116 5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.016 -10.155 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.248 -10.996 3.792 1.00 0.00 H new ATOM 1040 N ILE A 69 -11.340 -6.564 3.663 1.00 0.00 N ATOM 1041 CA ILE A 69 -10.974 -5.307 3.033 1.00 0.00 C ATOM 1042 C ILE A 69 -9.889 -4.621 3.867 1.00 0.00 C ATOM 1043 O ILE A 69 -9.831 -4.797 5.083 1.00 0.00 O ATOM 1044 CB ILE A 69 -12.213 -4.440 2.805 1.00 0.00 C ATOM 1045 CG1 ILE A 69 -13.303 -5.224 2.071 1.00 0.00 C ATOM 1046 CG2 ILE A 69 -11.850 -3.145 2.076 1.00 0.00 C ATOM 1047 CD1 ILE A 69 -14.517 -4.339 1.783 1.00 0.00 C ATOM 0 H ILE A 69 -12.187 -6.526 4.230 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.553 -5.486 2.044 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.617 -4.159 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.905 -5.617 1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.608 -6.080 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.749 -2.547 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.134 -2.580 2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.408 -3.384 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -15.276 -4.921 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -14.927 -3.967 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.214 -3.497 1.161 1.00 0.00 H new ATOM 1059 N VAL A 70 -9.056 -3.854 3.179 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.977 -3.141 3.841 1.00 0.00 C ATOM 1061 C VAL A 70 -8.145 -1.638 3.607 1.00 0.00 C ATOM 1062 O VAL A 70 -8.728 -1.223 2.607 1.00 0.00 O ATOM 1063 CB VAL A 70 -6.625 -3.673 3.360 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -5.473 -2.854 3.945 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -6.469 -5.157 3.697 1.00 0.00 C ATOM 0 H VAL A 70 -9.107 -3.711 2.170 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.013 -3.309 4.917 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.591 -3.570 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.524 -3.253 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.570 -1.814 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.503 -2.910 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.500 -5.510 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.534 -5.294 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.261 -5.726 3.211 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.624 -0.863 4.547 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.709 0.585 4.456 1.00 0.00 C ATOM 1077 C ARG A 71 -6.310 1.191 4.325 1.00 0.00 C ATOM 1078 O ARG A 71 -5.432 0.918 5.142 1.00 0.00 O ATOM 1079 CB ARG A 71 -8.400 1.174 5.686 1.00 0.00 C ATOM 1080 CG ARG A 71 -7.941 0.469 6.964 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.386 1.242 8.207 1.00 0.00 C ATOM 1082 NE ARG A 71 -7.390 2.285 8.539 1.00 0.00 N ATOM 1083 CZ ARG A 71 -7.462 3.077 9.617 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -8.484 2.950 10.475 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -6.513 3.996 9.838 1.00 0.00 N ATOM 0 H ARG A 71 -7.141 -1.211 5.376 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.298 0.828 3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.180 2.239 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.481 1.077 5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.350 -0.541 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.855 0.373 6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.359 1.700 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.503 0.558 9.048 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.599 2.409 7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.207 2.250 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.539 3.553 11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.735 4.093 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.568 4.599 10.659 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.146 2.003 3.291 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.870 2.651 3.043 1.00 0.00 C ATOM 1101 C VAL A 72 -4.847 4.010 3.745 1.00 0.00 C ATOM 1102 O VAL A 72 -5.782 4.798 3.609 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.618 2.751 1.537 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.641 3.885 1.219 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.114 1.420 0.976 1.00 0.00 C ATOM 0 H VAL A 72 -6.876 2.227 2.615 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.054 2.058 3.457 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.567 2.981 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.479 3.934 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.056 4.831 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.691 3.698 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.943 1.518 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.181 1.147 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.859 0.644 1.155 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.770 4.243 4.480 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.614 5.494 5.203 1.00 0.00 C ATOM 1117 C TYR A 73 -2.630 6.422 4.488 1.00 0.00 C ATOM 1118 O TYR A 73 -1.622 5.967 3.948 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.041 5.121 6.572 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.655 5.900 7.736 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.026 6.023 7.838 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.838 6.481 8.685 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.603 6.757 8.935 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.415 7.214 9.781 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.770 7.316 9.852 1.00 0.00 C ATOM 1126 OH TYR A 73 -5.315 8.009 10.887 1.00 0.00 O ATOM 0 H TYR A 73 -2.997 3.587 4.591 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.568 6.016 5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.194 4.055 6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.964 5.291 6.562 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.666 5.569 7.096 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.765 6.385 8.605 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.674 6.861 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.787 7.673 10.530 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.600 8.351 11.464 1.00 0.00 H new ATOM 1136 N ALA A 74 -2.957 7.706 4.506 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.114 8.701 3.865 1.00 0.00 C ATOM 1138 C ALA A 74 -2.564 10.098 4.298 1.00 0.00 C ATOM 1139 O ALA A 74 -3.750 10.328 4.531 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.167 8.516 2.348 1.00 0.00 C ATOM 0 H ALA A 74 -3.794 8.080 4.954 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.075 8.578 4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.534 9.263 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.810 7.519 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.194 8.635 2.003 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.594 10.995 4.392 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.875 12.363 4.793 1.00 0.00 C ATOM 1148 C GLU A 75 -0.942 13.332 4.064 1.00 0.00 C ATOM 1149 O GLU A 75 -0.021 12.908 3.368 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.759 12.526 6.310 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.319 12.302 6.776 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.208 12.434 8.296 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.743 11.538 8.984 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.409 13.428 8.736 1.00 0.00 O ATOM 0 H GLU A 75 -0.612 10.801 4.197 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.902 12.599 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.087 13.525 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.421 11.817 6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.017 11.312 6.468 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.339 13.026 6.295 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.212 14.616 4.250 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.408 15.649 3.619 1.00 0.00 C ATOM 1163 C ALA A 76 -0.695 16.994 4.290 1.00 0.00 C ATOM 1164 O ALA A 76 -1.738 17.168 4.917 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.696 15.674 2.117 1.00 0.00 C ATOM 0 H ALA A 76 -1.976 14.964 4.829 1.00 0.00 H new ATOM 0 HA ALA A 76 0.654 15.438 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.093 16.449 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.448 14.705 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.753 15.886 1.953 1.00 0.00 H new ATOM 1171 N ASN A 77 0.250 17.909 4.136 1.00 0.00 N ATOM 1172 CA ASN A 77 0.112 19.233 4.719 1.00 0.00 C ATOM 1173 C ASN A 77 -1.074 19.950 4.072 1.00 0.00 C ATOM 1174 O ASN A 77 -1.601 20.912 4.628 1.00 0.00 O ATOM 1175 CB ASN A 77 1.365 20.076 4.474 1.00 0.00 C ATOM 1176 CG ASN A 77 1.404 21.285 5.410 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.592 21.434 6.308 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.392 22.138 5.152 1.00 0.00 N ATOM 0 H ASN A 77 1.115 17.760 3.616 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.039 19.114 5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.254 19.465 4.627 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.384 20.413 3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.504 22.977 5.722 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.038 21.953 4.384 1.00 0.00 H new ATOM 1185 N SER A 78 -1.460 19.453 2.905 1.00 0.00 N ATOM 1186 CA SER A 78 -2.575 20.034 2.176 1.00 0.00 C ATOM 1187 C SER A 78 -3.674 18.988 1.981 1.00 0.00 C ATOM 1188 O SER A 78 -3.392 17.794 1.900 1.00 0.00 O ATOM 1189 CB SER A 78 -2.120 20.585 0.823 1.00 0.00 C ATOM 1190 OG SER A 78 -0.751 20.979 0.840 1.00 0.00 O ATOM 0 H SER A 78 -1.020 18.655 2.447 1.00 0.00 H new ATOM 0 HA SER A 78 -2.972 20.864 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.270 19.827 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.740 21.440 0.553 1.00 0.00 H new ATOM 0 HG SER A 78 -0.499 21.323 -0.042 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.904 19.476 1.912 1.00 0.00 N ATOM 1197 CA GLN A 79 -6.048 18.598 1.728 1.00 0.00 C ATOM 1198 C GLN A 79 -6.074 18.053 0.298 1.00 0.00 C ATOM 1199 O GLN A 79 -6.677 17.013 0.038 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.354 19.321 2.063 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.607 20.475 1.090 1.00 0.00 C ATOM 1202 CD GLN A 79 -7.393 21.826 1.775 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -6.314 22.151 2.242 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -8.480 22.592 1.810 1.00 0.00 N ATOM 0 H GLN A 79 -5.134 20.467 1.980 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.950 17.757 2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.185 18.617 2.021 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.311 19.703 3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.938 20.387 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.625 20.415 0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.352 22.259 1.400 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.441 23.513 2.247 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.412 18.780 -0.590 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.352 18.383 -1.987 1.00 0.00 C ATOM 1215 C GLU A 80 -4.416 17.185 -2.158 1.00 0.00 C ATOM 1216 O GLU A 80 -4.770 16.204 -2.809 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.915 19.552 -2.871 1.00 0.00 C ATOM 1218 CG GLU A 80 -6.064 20.023 -3.765 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.565 20.344 -5.175 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -4.745 19.548 -5.682 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -6.015 21.378 -5.714 1.00 0.00 O ATOM 0 H GLU A 80 -4.913 19.642 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.352 18.086 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.574 20.377 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.069 19.249 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.832 19.251 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.529 20.907 -3.330 1.00 0.00 H new ATOM 1228 N SER A 81 -3.238 17.305 -1.562 1.00 0.00 N ATOM 1229 CA SER A 81 -2.248 16.245 -1.640 1.00 0.00 C ATOM 1230 C SER A 81 -2.678 15.062 -0.770 1.00 0.00 C ATOM 1231 O SER A 81 -2.398 13.911 -1.099 1.00 0.00 O ATOM 1232 CB SER A 81 -0.869 16.747 -1.210 1.00 0.00 C ATOM 1233 OG SER A 81 -0.844 18.161 -1.038 1.00 0.00 O ATOM 0 H SER A 81 -2.948 18.121 -1.023 1.00 0.00 H new ATOM 0 HA SER A 81 -2.178 15.918 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.582 16.263 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.130 16.460 -1.958 1.00 0.00 H new ATOM 0 HG SER A 81 0.054 18.441 -0.762 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.352 15.387 0.324 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.823 14.366 1.244 1.00 0.00 C ATOM 1241 C ALA A 82 -4.562 13.281 0.459 1.00 0.00 C ATOM 1242 O ALA A 82 -4.211 12.105 0.537 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.703 15.012 2.316 1.00 0.00 C ATOM 0 H ALA A 82 -3.583 16.343 0.594 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.984 13.891 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.057 14.246 3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.123 15.755 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.557 15.496 1.842 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.573 13.714 -0.280 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.365 12.794 -1.078 1.00 0.00 C ATOM 1251 C ASP A 83 -5.500 12.232 -2.208 1.00 0.00 C ATOM 1252 O ASP A 83 -5.494 11.025 -2.447 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.564 13.505 -1.710 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.890 12.746 -1.613 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.886 11.549 -1.971 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.877 13.381 -1.184 1.00 0.00 O ATOM 0 H ASP A 83 -5.862 14.690 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.721 11.999 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.684 14.478 -1.233 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.345 13.690 -2.761 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.792 13.132 -2.873 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.925 12.741 -3.971 1.00 0.00 C ATOM 1263 C ARG A 84 -3.085 11.524 -3.577 1.00 0.00 C ATOM 1264 O ARG A 84 -3.215 10.456 -4.173 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.994 13.886 -4.374 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.338 13.610 -5.728 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.481 14.813 -6.662 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.218 14.402 -8.060 1.00 0.00 N ATOM 1269 CZ ARG A 84 -3.059 13.663 -8.797 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -4.221 13.249 -8.274 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.737 13.338 -10.056 1.00 0.00 N ATOM 0 H ARG A 84 -4.801 14.132 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.560 12.489 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.558 14.818 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.224 14.018 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.282 13.380 -5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.796 12.733 -6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.484 15.231 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.784 15.598 -6.368 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.342 14.700 -8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.466 13.496 -7.315 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.861 12.687 -8.835 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.852 13.653 -10.454 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.377 12.776 -10.617 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.242 11.727 -2.576 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.381 10.660 -2.095 1.00 0.00 C ATOM 1287 C LEU A 85 -2.229 9.425 -1.787 1.00 0.00 C ATOM 1288 O LEU A 85 -2.032 8.367 -2.382 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.542 11.141 -0.909 1.00 0.00 C ATOM 1290 CG LEU A 85 0.779 10.404 -0.679 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.820 10.804 -1.727 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.288 10.624 0.747 1.00 0.00 C ATOM 0 H LEU A 85 -2.137 12.615 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.666 10.372 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.325 12.200 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.145 11.056 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 85 0.599 9.335 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.749 10.266 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.450 10.555 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.004 11.877 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.228 10.090 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.448 11.689 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.551 10.250 1.458 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.157 9.601 -0.857 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.036 8.514 -0.462 1.00 0.00 C ATOM 1306 C ALA A 86 -4.503 7.762 -1.710 1.00 0.00 C ATOM 1307 O ALA A 86 -4.166 6.594 -1.898 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.204 9.072 0.353 1.00 0.00 C ATOM 0 H ALA A 86 -3.319 10.480 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.506 7.803 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.863 8.256 0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.821 9.571 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.761 9.787 -0.252 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.272 8.463 -2.531 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.788 7.877 -3.756 1.00 0.00 C ATOM 1316 C TYR A 87 -4.686 7.136 -4.516 1.00 0.00 C ATOM 1317 O TYR A 87 -4.820 5.949 -4.812 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.281 9.047 -4.609 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.925 8.626 -5.931 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.728 7.505 -5.981 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -6.702 9.367 -7.074 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -8.334 7.109 -7.226 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -7.309 8.971 -8.319 1.00 0.00 C ATOM 1324 CZ TYR A 87 -8.095 7.861 -8.333 1.00 0.00 C ATOM 1325 OH TYR A 87 -8.667 7.487 -9.509 1.00 0.00 O ATOM 0 H TYR A 87 -5.550 9.431 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.578 7.159 -3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.004 9.624 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.441 9.708 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.902 6.925 -5.087 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -6.072 10.244 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.965 6.234 -7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.144 9.542 -9.220 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.409 8.118 -10.213 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.621 7.867 -4.812 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.496 7.294 -5.532 1.00 0.00 C ATOM 1337 C GLU A 88 -2.063 5.979 -4.881 1.00 0.00 C ATOM 1338 O GLU A 88 -2.036 4.937 -5.535 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.330 8.281 -5.602 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.609 9.389 -6.619 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.442 10.376 -6.690 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.409 11.278 -5.825 1.00 0.00 O ATOM 1343 OE2 GLU A 88 0.390 10.207 -7.607 1.00 0.00 O ATOM 0 H GLU A 88 -3.513 8.851 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.813 7.084 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.161 8.720 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.417 7.752 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.779 8.950 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.521 9.918 -6.344 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.736 6.069 -3.600 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.306 4.900 -2.853 1.00 0.00 C ATOM 1352 C VAL A 89 -2.324 3.774 -3.046 1.00 0.00 C ATOM 1353 O VAL A 89 -2.009 2.742 -3.638 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.092 5.267 -1.383 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.900 4.013 -0.527 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.089 6.226 -1.224 1.00 0.00 C ATOM 0 H VAL A 89 -1.760 6.934 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.348 4.540 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.988 5.778 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.750 4.302 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.785 3.381 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.028 3.462 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.219 6.471 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.995 5.753 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.105 7.139 -1.787 1.00 0.00 H new ATOM 1366 N SER A 90 -3.523 4.010 -2.535 1.00 0.00 N ATOM 1367 CA SER A 90 -4.589 3.028 -2.644 1.00 0.00 C ATOM 1368 C SER A 90 -4.549 2.363 -4.022 1.00 0.00 C ATOM 1369 O SER A 90 -4.644 1.141 -4.128 1.00 0.00 O ATOM 1370 CB SER A 90 -5.957 3.671 -2.405 1.00 0.00 C ATOM 1371 OG SER A 90 -6.028 4.990 -2.941 1.00 0.00 O ATOM 0 H SER A 90 -3.780 4.866 -2.044 1.00 0.00 H new ATOM 0 HA SER A 90 -4.435 2.269 -1.877 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.732 3.053 -2.858 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.160 3.703 -1.335 1.00 0.00 H new ATOM 0 HG SER A 90 -5.787 4.971 -3.891 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.409 3.196 -5.042 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.356 2.704 -6.408 1.00 0.00 C ATOM 1379 C LEU A 91 -3.071 1.897 -6.605 1.00 0.00 C ATOM 1380 O LEU A 91 -3.098 0.811 -7.182 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.515 3.858 -7.400 1.00 0.00 C ATOM 1382 CG LEU A 91 -5.924 4.074 -7.956 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.019 5.404 -8.708 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.358 2.892 -8.826 1.00 0.00 C ATOM 0 H LEU A 91 -4.331 4.209 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.190 2.030 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.193 4.778 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.838 3.688 -8.237 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.617 4.128 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.031 5.533 -9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.782 6.223 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.312 5.404 -9.538 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.363 3.071 -9.208 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.666 2.782 -9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.354 1.980 -8.229 1.00 0.00 H new ATOM 1396 N LEU A 92 -1.976 2.459 -6.114 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.683 1.806 -6.229 1.00 0.00 C ATOM 1398 C LEU A 92 -0.809 0.353 -5.766 1.00 0.00 C ATOM 1399 O LEU A 92 -0.384 -0.565 -6.466 1.00 0.00 O ATOM 1400 CB LEU A 92 0.387 2.600 -5.479 1.00 0.00 C ATOM 1401 CG LEU A 92 1.103 3.687 -6.284 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.943 4.582 -5.370 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.938 3.074 -7.410 1.00 0.00 C ATOM 0 H LEU A 92 -1.958 3.360 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.358 1.783 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.077 3.066 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.135 1.901 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 92 0.348 4.320 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.441 5.346 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.296 5.061 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.691 3.978 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.436 3.868 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.686 2.404 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.288 2.513 -8.081 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.393 0.189 -4.588 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.579 -1.137 -4.023 1.00 0.00 C ATOM 1417 C VAL A 93 -2.477 -1.959 -4.949 1.00 0.00 C ATOM 1418 O VAL A 93 -2.035 -2.949 -5.530 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.129 -1.026 -2.599 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -1.995 -2.356 -1.855 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.440 0.104 -1.832 1.00 0.00 C ATOM 0 H VAL A 93 -1.744 0.952 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.625 -1.659 -3.949 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.190 -0.786 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.393 -2.250 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.553 -3.128 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.944 -2.639 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.849 0.161 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.369 -0.093 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.610 1.050 -2.347 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.723 -1.520 -5.056 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.687 -2.204 -5.902 1.00 0.00 C ATOM 1433 C PHE A 94 -4.029 -2.707 -7.188 1.00 0.00 C ATOM 1434 O PHE A 94 -4.342 -3.797 -7.664 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.768 -1.183 -6.262 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.086 -1.809 -6.724 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.980 -2.266 -5.806 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.363 -1.909 -8.052 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -9.202 -2.847 -6.235 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -8.585 -2.490 -8.480 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.479 -2.947 -7.563 1.00 0.00 C ATOM 0 H PHE A 94 -4.087 -0.700 -4.571 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.099 -3.065 -5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.962 -0.553 -5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.391 -0.532 -7.051 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.760 -2.187 -4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.653 -1.546 -8.781 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.912 -3.210 -5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.805 -2.569 -9.534 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.409 -3.389 -7.889 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.128 -1.889 -7.713 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.423 -2.238 -8.935 1.00 0.00 C ATOM 1453 C GLN A 95 -1.314 -3.249 -8.637 1.00 0.00 C ATOM 1454 O GLN A 95 -1.249 -4.306 -9.262 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.860 -0.991 -9.618 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.798 -0.500 -10.724 1.00 0.00 C ATOM 1457 CD GLN A 95 -2.290 -0.926 -12.103 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -1.292 -1.615 -12.240 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -3.031 -0.480 -13.113 1.00 0.00 N ATOM 0 H GLN A 95 -2.870 -0.986 -7.315 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.132 -2.699 -9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.717 -0.201 -8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.880 -1.214 -10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.799 -0.900 -10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.879 0.586 -10.682 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.854 0.093 -12.927 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.776 -0.711 -14.073 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.468 -2.887 -7.684 1.00 0.00 N ATOM 1469 CA LEU A 96 0.635 -3.749 -7.296 1.00 0.00 C ATOM 1470 C LEU A 96 0.084 -5.094 -6.820 1.00 0.00 C ATOM 1471 O LEU A 96 0.194 -6.098 -7.523 1.00 0.00 O ATOM 1472 CB LEU A 96 1.524 -3.050 -6.265 1.00 0.00 C ATOM 1473 CG LEU A 96 3.029 -3.288 -6.405 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.733 -2.044 -6.950 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.636 -3.756 -5.081 1.00 0.00 C ATOM 0 H LEU A 96 -0.524 -2.008 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 96 1.278 -3.953 -8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.339 -1.977 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.216 -3.373 -5.271 1.00 0.00 H new ATOM 0 HG LEU A 96 3.182 -4.088 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.801 -2.240 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.326 -1.796 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.574 -1.208 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.706 -3.918 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.472 -2.996 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.162 -4.688 -4.773 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.499 -5.072 -5.630 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.068 -6.278 -5.053 1.00 0.00 C ATOM 1489 C ALA A 97 -2.009 -6.929 -6.069 1.00 0.00 C ATOM 1490 O ALA A 97 -1.961 -8.140 -6.277 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.776 -5.931 -3.742 1.00 0.00 C ATOM 0 H ALA A 97 -0.589 -4.238 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.284 -6.999 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.203 -6.835 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.059 -5.498 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.571 -5.212 -3.937 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.842 -6.096 -6.674 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.793 -6.576 -7.663 1.00 0.00 C ATOM 1499 C GLY A 98 -5.188 -6.731 -7.053 1.00 0.00 C ATOM 1500 O GLY A 98 -5.798 -7.794 -7.151 1.00 0.00 O ATOM 0 H GLY A 98 -2.879 -5.092 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.834 -5.880 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.457 -7.534 -8.060 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.652 -5.653 -6.437 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.963 -5.656 -5.812 1.00 0.00 C ATOM 1506 C GLY A 99 -7.976 -6.423 -6.664 1.00 0.00 C ATOM 1507 O GLY A 99 -7.836 -6.498 -7.884 1.00 0.00 O ATOM 0 H GLY A 99 -5.143 -4.772 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.897 -6.110 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.304 -4.631 -5.670 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.973 -6.975 -5.988 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.008 -7.734 -6.668 1.00 0.00 C ATOM 1513 C ILE A 100 -11.241 -6.849 -6.859 1.00 0.00 C ATOM 1514 O ILE A 100 -11.488 -5.942 -6.065 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.297 -9.037 -5.918 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.947 -8.756 -4.562 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.031 -9.884 -5.783 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.017 -9.801 -4.239 1.00 0.00 C ATOM 0 H ILE A 100 -9.086 -6.912 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.672 -8.032 -7.661 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.011 -9.617 -6.503 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.185 -8.758 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.395 -7.762 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.264 -10.804 -5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.650 -10.129 -6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.276 -9.324 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.463 -9.578 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.790 -9.780 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.562 -10.791 -4.209 1.00 0.00 H new ATOM 1530 N GLY A 101 -11.982 -7.142 -7.918 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.183 -6.383 -8.224 1.00 0.00 C ATOM 1532 C GLY A 101 -12.884 -5.263 -9.223 1.00 0.00 C ATOM 1533 O GLY A 101 -11.988 -5.392 -10.056 1.00 0.00 O ATOM 0 H GLY A 101 -11.774 -7.894 -8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.943 -7.048 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.592 -5.958 -7.308 1.00 0.00 H new ATOM 1537 N GLU A 102 -13.653 -4.190 -9.107 1.00 0.00 N ATOM 1538 CA GLU A 102 -13.481 -3.048 -9.989 1.00 0.00 C ATOM 1539 C GLU A 102 -12.431 -2.092 -9.422 1.00 0.00 C ATOM 1540 O GLU A 102 -12.198 -2.066 -8.214 1.00 0.00 O ATOM 1541 CB GLU A 102 -14.812 -2.328 -10.218 1.00 0.00 C ATOM 1542 CG GLU A 102 -15.253 -1.579 -8.959 1.00 0.00 C ATOM 1543 CD GLU A 102 -16.385 -0.598 -9.274 1.00 0.00 C ATOM 1544 OE1 GLU A 102 -17.515 -1.086 -9.488 1.00 0.00 O ATOM 1545 OE2 GLU A 102 -16.094 0.617 -9.292 1.00 0.00 O ATOM 0 H GLU A 102 -14.396 -4.087 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.129 -3.409 -10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.713 -1.627 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.577 -3.051 -10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.584 -2.292 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.406 -1.039 -8.537 1.00 0.00 H new ATOM 1552 N ARG A 103 -11.825 -1.329 -10.320 1.00 0.00 N ATOM 1553 CA ARG A 103 -10.804 -0.374 -9.924 1.00 0.00 C ATOM 1554 C ARG A 103 -11.446 0.836 -9.241 1.00 0.00 C ATOM 1555 O ARG A 103 -12.592 1.179 -9.527 1.00 0.00 O ATOM 1556 CB ARG A 103 -9.996 0.102 -11.132 1.00 0.00 C ATOM 1557 CG ARG A 103 -9.193 -1.050 -11.742 1.00 0.00 C ATOM 1558 CD ARG A 103 -9.313 -1.053 -13.268 1.00 0.00 C ATOM 1559 NE ARG A 103 -8.525 0.061 -13.840 1.00 0.00 N ATOM 1560 CZ ARG A 103 -8.190 0.157 -15.134 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -8.571 -0.794 -15.997 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -7.473 1.204 -15.564 1.00 0.00 N ATOM 0 H ARG A 103 -12.022 -1.353 -11.321 1.00 0.00 H new ATOM 0 HA ARG A 103 -10.133 -0.876 -9.227 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.668 0.519 -11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.320 0.902 -10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.145 -0.959 -11.456 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.551 -1.999 -11.343 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.958 -2.003 -13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.359 -0.956 -13.559 1.00 0.00 H new ATOM 0 HE ARG A 103 -8.218 0.802 -13.210 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.116 -1.591 -15.669 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.316 -0.721 -16.982 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.182 1.928 -14.907 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -7.218 1.277 -16.549 1.00 0.00 H new ATOM 1576 N PRO A 104 -10.659 1.465 -8.327 1.00 0.00 N ATOM 1577 CA PRO A 104 -11.139 2.629 -7.601 1.00 0.00 C ATOM 1578 C PRO A 104 -11.149 3.869 -8.498 1.00 0.00 C ATOM 1579 O PRO A 104 -10.194 4.116 -9.233 1.00 0.00 O ATOM 1580 CB PRO A 104 -10.202 2.764 -6.412 1.00 0.00 C ATOM 1581 CG PRO A 104 -8.961 1.960 -6.765 1.00 0.00 C ATOM 1582 CD PRO A 104 -9.297 1.087 -7.963 1.00 0.00 C ATOM 0 HA PRO A 104 -12.171 2.521 -7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.951 3.809 -6.229 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.668 2.384 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.129 2.625 -6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.651 1.346 -5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -8.604 1.261 -8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.234 0.028 -7.712 1.00 0.00 H new ATOM 1590 N GLN A 105 -12.239 4.615 -8.408 1.00 0.00 N ATOM 1591 CA GLN A 105 -12.387 5.823 -9.202 1.00 0.00 C ATOM 1592 C GLN A 105 -12.957 6.956 -8.346 1.00 0.00 C ATOM 1593 O GLN A 105 -13.613 6.705 -7.336 1.00 0.00 O ATOM 1594 CB GLN A 105 -13.264 5.569 -10.430 1.00 0.00 C ATOM 1595 CG GLN A 105 -14.719 5.327 -10.022 1.00 0.00 C ATOM 1596 CD GLN A 105 -15.675 5.692 -11.160 1.00 0.00 C ATOM 1597 OE1 GLN A 105 -15.677 5.090 -12.221 1.00 0.00 O ATOM 1598 NE2 GLN A 105 -16.485 6.710 -10.881 1.00 0.00 N ATOM 0 H GLN A 105 -13.029 4.407 -7.797 1.00 0.00 H new ATOM 0 HA GLN A 105 -11.401 6.123 -9.556 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.209 6.424 -11.104 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -12.888 4.705 -10.978 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -14.855 4.280 -9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.956 5.920 -9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -16.431 7.170 -9.972 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -17.160 7.030 -11.576 1.00 0.00 H new ATOM 1607 N PRO A 106 -12.678 8.210 -8.791 1.00 0.00 N ATOM 1608 CA PRO A 106 -13.155 9.381 -8.077 1.00 0.00 C ATOM 1609 C PRO A 106 -14.652 9.594 -8.310 1.00 0.00 C ATOM 1610 O PRO A 106 -15.239 8.980 -9.200 1.00 0.00 O ATOM 1611 CB PRO A 106 -12.305 10.531 -8.593 1.00 0.00 C ATOM 1612 CG PRO A 106 -11.705 10.050 -9.904 1.00 0.00 C ATOM 1613 CD PRO A 106 -11.903 8.545 -9.983 1.00 0.00 C ATOM 0 HA PRO A 106 -13.055 9.283 -6.996 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.909 11.426 -8.745 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -11.524 10.791 -7.878 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -12.187 10.543 -10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.645 10.299 -9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.433 8.263 -10.892 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -10.948 8.020 -9.995 1.00 0.00 H new ATOM 1621 N SER A 107 -15.228 10.466 -7.495 1.00 0.00 N ATOM 1622 CA SER A 107 -16.645 10.767 -7.602 1.00 0.00 C ATOM 1623 C SER A 107 -16.858 11.960 -8.536 1.00 0.00 C ATOM 1624 O SER A 107 -17.690 11.904 -9.440 1.00 0.00 O ATOM 1625 CB SER A 107 -17.253 11.054 -6.228 1.00 0.00 C ATOM 1626 OG SER A 107 -17.068 12.411 -5.835 1.00 0.00 O ATOM 0 H SER A 107 -14.739 10.973 -6.758 1.00 0.00 H new ATOM 0 HA SER A 107 -17.149 9.894 -8.017 1.00 0.00 H new ATOM 0 HB2 SER A 107 -18.318 10.824 -6.248 1.00 0.00 H new ATOM 0 HB3 SER A 107 -16.799 10.397 -5.486 1.00 0.00 H new ATOM 0 HG SER A 107 -17.472 12.554 -4.954 1.00 0.00 H new ATOM 1632 N GLY A 108 -16.092 13.011 -8.285 1.00 0.00 N ATOM 1633 CA GLY A 108 -16.186 14.216 -9.092 1.00 0.00 C ATOM 1634 C GLY A 108 -15.197 15.279 -8.608 1.00 0.00 C ATOM 1635 O GLY A 108 -15.410 15.902 -7.569 1.00 0.00 O ATOM 0 H GLY A 108 -15.403 13.053 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -15.985 13.975 -10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -17.201 14.611 -9.046 1.00 0.00 H new ATOM 1639 N PRO A 109 -14.109 15.457 -9.405 1.00 0.00 N ATOM 1640 CA PRO A 109 -13.087 16.433 -9.069 1.00 0.00 C ATOM 1641 C PRO A 109 -13.573 17.856 -9.354 1.00 0.00 C ATOM 1642 O PRO A 109 -14.589 18.047 -10.021 1.00 0.00 O ATOM 1643 CB PRO A 109 -11.878 16.040 -9.901 1.00 0.00 C ATOM 1644 CG PRO A 109 -12.409 15.149 -11.012 1.00 0.00 C ATOM 1645 CD PRO A 109 -13.825 14.736 -10.642 1.00 0.00 C ATOM 0 HA PRO A 109 -12.839 16.434 -8.008 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -11.382 16.920 -10.310 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -11.142 15.512 -9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -12.403 15.681 -11.964 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -11.775 14.271 -11.133 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -14.533 15.002 -11.427 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -13.898 13.658 -10.498 1.00 0.00 H new ATOM 1653 N SER A 110 -12.824 18.818 -8.836 1.00 0.00 N ATOM 1654 CA SER A 110 -13.166 20.217 -9.027 1.00 0.00 C ATOM 1655 C SER A 110 -12.449 20.767 -10.262 1.00 0.00 C ATOM 1656 O SER A 110 -13.092 21.158 -11.235 1.00 0.00 O ATOM 1657 CB SER A 110 -12.806 21.046 -7.792 1.00 0.00 C ATOM 1658 OG SER A 110 -13.564 22.250 -7.717 1.00 0.00 O ATOM 0 H SER A 110 -11.982 18.656 -8.284 1.00 0.00 H new ATOM 0 HA SER A 110 -14.243 20.288 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.979 20.453 -6.894 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.743 21.288 -7.815 1.00 0.00 H new ATOM 0 HG SER A 110 -13.306 22.750 -6.914 1.00 0.00 H new ATOM 1664 N SER A 111 -11.126 20.779 -10.183 1.00 0.00 N ATOM 1665 CA SER A 111 -10.316 21.274 -11.282 1.00 0.00 C ATOM 1666 C SER A 111 -8.851 20.886 -11.069 1.00 0.00 C ATOM 1667 O SER A 111 -8.479 20.420 -9.993 1.00 0.00 O ATOM 1668 CB SER A 111 -10.447 22.792 -11.424 1.00 0.00 C ATOM 1669 OG SER A 111 -9.660 23.298 -12.498 1.00 0.00 O ATOM 0 H SER A 111 -10.596 20.454 -9.375 1.00 0.00 H new ATOM 0 HA SER A 111 -10.676 20.818 -12.204 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.493 23.052 -11.587 1.00 0.00 H new ATOM 0 HB3 SER A 111 -10.141 23.271 -10.494 1.00 0.00 H new ATOM 0 HG SER A 111 -9.772 24.270 -12.556 1.00 0.00 H new ATOM 1675 N GLY A 112 -8.060 21.092 -12.111 1.00 0.00 N ATOM 1676 CA GLY A 112 -6.644 20.769 -12.051 1.00 0.00 C ATOM 1677 C GLY A 112 -5.809 22.018 -11.763 1.00 0.00 C ATOM 1678 O GLY A 112 -4.693 21.919 -11.255 1.00 0.00 O ATOM 0 H GLY A 112 -8.372 21.479 -13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.470 20.024 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.328 20.326 -12.995 1.00 0.00 H new TER 1682 GLY A 112