USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 GLN : amide:sc= 0 X(o=0,f=-0.023) 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 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -125:sc= -0.588 (180deg=-2.31) USER MOD Single : A 9 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.14) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0726 X(o=-0.073,f=-0.073) USER MOD Single : A 20 CYS SG : rot 18:sc= -2.21! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -160:sc= -0.0265 (180deg=-0.201) USER MOD Single : A 38 SER OG : rot -70:sc= 1.15 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.842 X(o=-0.84,f=-0.86) USER MOD Single : A 47 GLN :FLIP amide:sc= -3.92! C(o=-4.4!,f=-3.9!) USER MOD Single : A 48 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0.772 (180deg=0.642) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 56:sc= 1.06 USER MOD Single : A 66 TYR OH : rot -50:sc= -0.263 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 115:sc= 0.729 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.880 -10.953 14.757 1.00 0.00 N ATOM 2 CA GLY A 1 7.870 -12.006 14.627 1.00 0.00 C ATOM 3 C GLY A 1 7.293 -13.381 14.902 1.00 0.00 C ATOM 4 O GLY A 1 7.436 -13.912 16.003 1.00 0.00 O ATOM 0 H1 GLY A 1 7.323 -10.033 14.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.107 -11.117 14.080 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.499 -10.953 15.725 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.288 -11.985 13.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.692 -11.815 15.317 1.00 0.00 H new ATOM 8 N SER A 2 6.639 -13.958 13.900 1.00 0.00 N ATOM 9 CA SER A 2 6.033 -15.277 14.041 1.00 0.00 C ATOM 10 C SER A 2 6.724 -16.291 13.135 1.00 0.00 C ATOM 11 O SER A 2 7.268 -15.937 12.089 1.00 0.00 O ATOM 12 CB SER A 2 4.541 -15.214 13.711 1.00 0.00 C ATOM 13 OG SER A 2 3.796 -14.721 14.811 1.00 0.00 O ATOM 0 H SER A 2 6.515 -13.533 12.981 1.00 0.00 H new ATOM 0 HA SER A 2 6.155 -15.598 15.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.384 -14.572 12.844 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.183 -16.207 13.441 1.00 0.00 H new ATOM 0 HG SER A 2 2.846 -14.689 14.574 1.00 0.00 H new ATOM 19 N SER A 3 6.698 -17.556 13.544 1.00 0.00 N ATOM 20 CA SER A 3 7.324 -18.622 12.772 1.00 0.00 C ATOM 21 C SER A 3 6.271 -19.543 12.164 1.00 0.00 C ATOM 22 O SER A 3 5.370 -20.017 12.855 1.00 0.00 O ATOM 23 CB SER A 3 8.275 -19.431 13.657 1.00 0.00 C ATOM 24 OG SER A 3 9.069 -20.312 12.882 1.00 0.00 O ATOM 0 H SER A 3 6.250 -17.867 14.406 1.00 0.00 H new ATOM 0 HA SER A 3 7.893 -18.164 11.963 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.919 -18.754 14.217 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.700 -20.001 14.387 1.00 0.00 H new ATOM 0 HG SER A 3 9.669 -20.816 13.471 1.00 0.00 H new ATOM 30 N GLY A 4 6.392 -19.793 10.863 1.00 0.00 N ATOM 31 CA GLY A 4 5.445 -20.656 10.182 1.00 0.00 C ATOM 32 C GLY A 4 5.108 -20.162 8.789 1.00 0.00 C ATOM 33 O GLY A 4 5.570 -20.724 7.796 1.00 0.00 O ATOM 0 H GLY A 4 7.129 -19.413 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.857 -21.663 10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.531 -20.723 10.771 1.00 0.00 H new ATOM 37 N SER A 5 4.300 -19.110 8.715 1.00 0.00 N ATOM 38 CA SER A 5 3.898 -18.544 7.433 1.00 0.00 C ATOM 39 C SER A 5 4.950 -17.568 6.916 1.00 0.00 C ATOM 40 O SER A 5 5.652 -16.923 7.695 1.00 0.00 O ATOM 41 CB SER A 5 2.549 -17.834 7.566 1.00 0.00 C ATOM 42 OG SER A 5 2.201 -17.171 6.363 1.00 0.00 O ATOM 0 H SER A 5 3.911 -18.632 9.528 1.00 0.00 H new ATOM 0 HA SER A 5 3.802 -19.360 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.776 -18.559 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.593 -17.113 8.383 1.00 0.00 H new ATOM 0 HG SER A 5 1.334 -16.727 6.473 1.00 0.00 H new ATOM 48 N SER A 6 5.054 -17.465 5.594 1.00 0.00 N ATOM 49 CA SER A 6 6.023 -16.571 4.971 1.00 0.00 C ATOM 50 C SER A 6 5.354 -15.277 4.516 1.00 0.00 C ATOM 51 O SER A 6 4.135 -15.216 4.364 1.00 0.00 O ATOM 52 CB SER A 6 6.691 -17.259 3.780 1.00 0.00 C ATOM 53 OG SER A 6 5.725 -17.772 2.879 1.00 0.00 O ATOM 0 H SER A 6 4.479 -17.990 4.935 1.00 0.00 H new ATOM 0 HA SER A 6 6.783 -16.325 5.713 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.336 -16.550 3.261 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.328 -18.069 4.135 1.00 0.00 H new ATOM 0 HG SER A 6 6.178 -18.205 2.126 1.00 0.00 H new ATOM 59 N GLY A 7 6.163 -14.244 4.300 1.00 0.00 N ATOM 60 CA GLY A 7 5.633 -12.965 3.864 1.00 0.00 C ATOM 61 C GLY A 7 6.709 -11.906 3.735 1.00 0.00 C ATOM 62 O GLY A 7 7.898 -12.220 3.694 1.00 0.00 O ATOM 0 H GLY A 7 7.176 -14.270 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.134 -13.090 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.878 -12.627 4.574 1.00 0.00 H new ATOM 66 N MET A 8 6.291 -10.646 3.668 1.00 0.00 N ATOM 67 CA MET A 8 7.228 -9.536 3.542 1.00 0.00 C ATOM 68 C MET A 8 6.715 -8.304 4.281 1.00 0.00 C ATOM 69 O MET A 8 5.507 -8.093 4.388 1.00 0.00 O ATOM 70 CB MET A 8 7.460 -9.201 2.068 1.00 0.00 C ATOM 71 CG MET A 8 6.185 -8.862 1.314 1.00 0.00 C ATOM 72 SD MET A 8 6.492 -8.424 -0.408 1.00 0.00 S ATOM 73 CE MET A 8 5.070 -7.390 -0.753 1.00 0.00 C ATOM 0 H MET A 8 5.310 -10.369 3.699 1.00 0.00 H new ATOM 0 HA MET A 8 8.174 -9.839 3.991 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.148 -8.358 1.999 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.945 -10.048 1.583 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.507 -9.715 1.353 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.683 -8.033 1.812 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.541 -7.777 -1.624 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.402 -7.392 0.108 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.401 -6.371 -0.953 1.00 0.00 H new ATOM 83 N GLN A 9 7.640 -7.494 4.787 1.00 0.00 N ATOM 84 CA GLN A 9 7.279 -6.284 5.516 1.00 0.00 C ATOM 85 C GLN A 9 7.182 -5.089 4.573 1.00 0.00 C ATOM 86 O GLN A 9 8.038 -4.896 3.709 1.00 0.00 O ATOM 87 CB GLN A 9 8.304 -6.000 6.615 1.00 0.00 C ATOM 88 CG GLN A 9 7.915 -4.849 7.528 1.00 0.00 C ATOM 89 CD GLN A 9 6.927 -5.263 8.600 1.00 0.00 C ATOM 90 OE1 GLN A 9 5.866 -4.656 8.752 1.00 0.00 O ATOM 91 NE2 GLN A 9 7.270 -6.303 9.352 1.00 0.00 N ATOM 0 H GLN A 9 8.644 -7.654 4.705 1.00 0.00 H new ATOM 0 HA GLN A 9 6.302 -6.443 5.973 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.439 -6.900 7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.266 -5.778 6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.811 -4.447 8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.482 -4.047 6.931 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.159 -6.777 9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.644 -6.627 10.089 1.00 0.00 H new ATOM 100 N LEU A 10 6.134 -4.291 4.744 1.00 0.00 N ATOM 101 CA LEU A 10 5.925 -3.114 3.908 1.00 0.00 C ATOM 102 C LEU A 10 5.764 -1.860 4.762 1.00 0.00 C ATOM 103 O LEU A 10 5.337 -1.932 5.915 1.00 0.00 O ATOM 104 CB LEU A 10 4.690 -3.304 3.025 1.00 0.00 C ATOM 105 CG LEU A 10 4.842 -4.285 1.861 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.520 -4.454 1.130 1.00 0.00 C ATOM 107 CD2 LEU A 10 5.927 -3.813 0.904 1.00 0.00 C ATOM 0 H LEU A 10 5.416 -4.437 5.454 1.00 0.00 H new ATOM 0 HA LEU A 10 6.803 -2.989 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.867 -3.642 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.404 -2.333 2.621 1.00 0.00 H new ATOM 0 HG LEU A 10 5.137 -5.254 2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.647 -5.155 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.769 -4.838 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.194 -3.490 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.021 -4.523 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.662 -2.833 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.876 -3.745 1.435 1.00 0.00 H new ATOM 119 N THR A 11 6.107 -0.711 4.188 1.00 0.00 N ATOM 120 CA THR A 11 6.000 0.558 4.896 1.00 0.00 C ATOM 121 C THR A 11 5.387 1.634 4.007 1.00 0.00 C ATOM 122 O THR A 11 6.005 2.082 3.041 1.00 0.00 O ATOM 123 CB THR A 11 7.376 1.042 5.393 1.00 0.00 C ATOM 124 OG1 THR A 11 8.176 -0.078 5.788 1.00 0.00 O ATOM 125 CG2 THR A 11 7.222 2.001 6.564 1.00 0.00 C ATOM 0 H THR A 11 6.461 -0.634 3.235 1.00 0.00 H new ATOM 0 HA THR A 11 5.351 0.387 5.755 1.00 0.00 H new ATOM 0 HB THR A 11 7.868 1.569 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.049 0.238 6.101 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.207 2.329 6.898 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.638 2.866 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.711 1.496 7.384 1.00 0.00 H new ATOM 133 N VAL A 12 4.167 2.044 4.338 1.00 0.00 N ATOM 134 CA VAL A 12 3.470 3.069 3.570 1.00 0.00 C ATOM 135 C VAL A 12 3.692 4.453 4.172 1.00 0.00 C ATOM 136 O VAL A 12 3.254 4.734 5.288 1.00 0.00 O ATOM 137 CB VAL A 12 1.958 2.788 3.502 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.229 3.943 2.831 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.692 1.482 2.769 1.00 0.00 C ATOM 0 H VAL A 12 3.641 1.682 5.133 1.00 0.00 H new ATOM 0 HA VAL A 12 3.882 3.044 2.561 1.00 0.00 H new ATOM 0 HB VAL A 12 1.578 2.692 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.162 3.726 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.393 4.857 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.610 4.074 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.618 1.299 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.086 1.547 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.181 0.663 3.296 1.00 0.00 H new ATOM 149 N LYS A 13 4.375 5.314 3.425 1.00 0.00 N ATOM 150 CA LYS A 13 4.654 6.670 3.882 1.00 0.00 C ATOM 151 C LYS A 13 3.901 7.694 3.039 1.00 0.00 C ATOM 152 O LYS A 13 3.865 7.596 1.813 1.00 0.00 O ATOM 153 CB LYS A 13 6.157 6.950 3.823 1.00 0.00 C ATOM 154 CG LYS A 13 6.632 7.946 4.867 1.00 0.00 C ATOM 155 CD LYS A 13 7.992 8.522 4.512 1.00 0.00 C ATOM 156 CE LYS A 13 8.270 9.808 5.275 1.00 0.00 C ATOM 157 NZ LYS A 13 9.725 10.124 5.318 1.00 0.00 N ATOM 0 H LYS A 13 4.746 5.096 2.500 1.00 0.00 H new ATOM 0 HA LYS A 13 4.315 6.756 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.698 6.013 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.409 7.327 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.906 8.754 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.686 7.457 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.768 7.790 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.037 8.717 3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.733 10.632 4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.888 9.717 6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.873 11.007 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.235 9.349 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.085 10.236 4.349 1.00 0.00 H new ATOM 171 N ALA A 14 3.303 8.677 3.705 1.00 0.00 N ATOM 172 CA ALA A 14 2.555 9.721 3.016 1.00 0.00 C ATOM 173 C ALA A 14 3.431 10.940 2.751 1.00 0.00 C ATOM 174 O ALA A 14 4.431 11.160 3.436 1.00 0.00 O ATOM 175 CB ALA A 14 1.330 10.115 3.828 1.00 0.00 C ATOM 0 H ALA A 14 3.322 8.772 4.720 1.00 0.00 H new ATOM 0 HA ALA A 14 2.228 9.326 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.780 10.896 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.687 9.245 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.644 10.487 4.803 1.00 0.00 H new ATOM 181 N LEU A 15 3.051 11.730 1.752 1.00 0.00 N ATOM 182 CA LEU A 15 3.803 12.928 1.395 1.00 0.00 C ATOM 183 C LEU A 15 4.076 13.787 2.626 1.00 0.00 C ATOM 184 O LEU A 15 3.203 14.523 3.085 1.00 0.00 O ATOM 185 CB LEU A 15 3.038 13.742 0.350 1.00 0.00 C ATOM 186 CG LEU A 15 3.136 13.244 -1.092 1.00 0.00 C ATOM 187 CD1 LEU A 15 2.027 12.245 -1.388 1.00 0.00 C ATOM 188 CD2 LEU A 15 3.077 14.412 -2.065 1.00 0.00 C ATOM 0 H LEU A 15 2.227 11.562 1.175 1.00 0.00 H new ATOM 0 HA LEU A 15 4.759 12.615 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.986 13.764 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.399 14.770 0.384 1.00 0.00 H new ATOM 0 HG LEU A 15 4.094 12.740 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.113 11.901 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.115 11.394 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.058 12.724 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.148 14.039 -3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.134 14.944 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.906 15.091 -1.869 1.00 0.00 H new ATOM 200 N GLN A 16 5.292 13.688 3.153 1.00 0.00 N ATOM 201 CA GLN A 16 5.679 14.457 4.329 1.00 0.00 C ATOM 202 C GLN A 16 4.560 14.467 5.366 1.00 0.00 C ATOM 203 O GLN A 16 4.349 15.463 6.057 1.00 0.00 O ATOM 204 CB GLN A 16 6.035 15.891 3.933 1.00 0.00 C ATOM 205 CG GLN A 16 7.398 16.018 3.271 1.00 0.00 C ATOM 206 CD GLN A 16 8.541 15.832 4.249 1.00 0.00 C ATOM 207 OE1 GLN A 16 8.840 16.719 5.050 1.00 0.00 O ATOM 208 NE2 GLN A 16 9.189 14.674 4.190 1.00 0.00 N ATOM 0 H GLN A 16 6.026 13.083 2.784 1.00 0.00 H new ATOM 0 HA GLN A 16 6.555 13.981 4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.273 16.271 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.012 16.521 4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.482 15.278 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.481 16.999 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.908 13.967 3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.967 14.492 4.824 1.00 0.00 H new ATOM 217 N GLY A 17 3.845 13.350 5.468 1.00 0.00 N ATOM 218 CA GLY A 17 2.756 13.252 6.422 1.00 0.00 C ATOM 219 C GLY A 17 2.963 12.134 7.425 1.00 0.00 C ATOM 220 O GLY A 17 3.908 12.166 8.213 1.00 0.00 O ATOM 0 H GLY A 17 4.001 12.512 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.656 14.199 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.821 13.087 5.886 1.00 0.00 H new ATOM 224 N ARG A 18 2.076 11.145 7.397 1.00 0.00 N ATOM 225 CA ARG A 18 2.165 10.014 8.313 1.00 0.00 C ATOM 226 C ARG A 18 2.553 8.740 7.568 1.00 0.00 C ATOM 227 O ARG A 18 2.671 8.738 6.343 1.00 0.00 O ATOM 228 CB ARG A 18 0.832 9.809 9.035 1.00 0.00 C ATOM 229 CG ARG A 18 0.495 10.918 10.019 1.00 0.00 C ATOM 230 CD ARG A 18 -0.501 10.448 11.068 1.00 0.00 C ATOM 231 NE ARG A 18 -1.338 11.541 11.556 1.00 0.00 N ATOM 232 CZ ARG A 18 -2.381 12.021 10.889 1.00 0.00 C ATOM 233 NH1 ARG A 18 -2.714 11.508 9.713 1.00 0.00 N ATOM 234 NH2 ARG A 18 -3.094 13.018 11.399 1.00 0.00 N ATOM 0 H ARG A 18 1.288 11.104 6.751 1.00 0.00 H new ATOM 0 HA ARG A 18 2.939 10.234 9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.035 9.737 8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.859 8.858 9.568 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.406 11.261 10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.082 11.771 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.134 9.668 10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.037 10.002 11.905 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.109 11.958 12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.168 10.742 9.318 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.516 11.879 9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.841 13.416 12.304 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.895 13.386 10.886 1.00 0.00 H new ATOM 248 N GLU A 19 2.750 7.659 8.317 1.00 0.00 N ATOM 249 CA GLU A 19 3.126 6.380 7.726 1.00 0.00 C ATOM 250 C GLU A 19 2.703 5.221 8.625 1.00 0.00 C ATOM 251 O GLU A 19 2.211 5.429 9.734 1.00 0.00 O ATOM 252 CB GLU A 19 4.636 6.328 7.485 1.00 0.00 C ATOM 253 CG GLU A 19 5.460 6.484 8.752 1.00 0.00 C ATOM 254 CD GLU A 19 6.942 6.640 8.469 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.354 7.742 8.052 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.689 5.658 8.665 1.00 0.00 O ATOM 0 H GLU A 19 2.656 7.644 9.333 1.00 0.00 H new ATOM 0 HA GLU A 19 2.610 6.284 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.888 5.378 7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.911 7.116 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.106 7.353 9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.305 5.614 9.391 1.00 0.00 H new ATOM 263 N CYS A 20 2.898 4.001 8.137 1.00 0.00 N ATOM 264 CA CYS A 20 2.536 2.808 8.894 1.00 0.00 C ATOM 265 C CYS A 20 3.046 1.549 8.201 1.00 0.00 C ATOM 266 O CYS A 20 2.969 1.425 6.979 1.00 0.00 O ATOM 267 CB CYS A 20 1.018 2.730 9.067 1.00 0.00 C ATOM 268 SG CYS A 20 0.122 2.325 7.550 1.00 0.00 S ATOM 0 H CYS A 20 3.305 3.812 7.221 1.00 0.00 H new ATOM 0 HA CYS A 20 3.004 2.875 9.876 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.787 1.980 9.824 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.657 3.686 9.445 1.00 0.00 H new ATOM 0 HG CYS A 20 0.944 1.808 6.686 1.00 0.00 H new ATOM 274 N SER A 21 3.571 0.617 8.991 1.00 0.00 N ATOM 275 CA SER A 21 4.100 -0.631 8.453 1.00 0.00 C ATOM 276 C SER A 21 3.117 -1.778 8.674 1.00 0.00 C ATOM 277 O SER A 21 2.292 -1.736 9.587 1.00 0.00 O ATOM 278 CB SER A 21 5.443 -0.963 9.106 1.00 0.00 C ATOM 279 OG SER A 21 5.263 -1.445 10.426 1.00 0.00 O ATOM 0 H SER A 21 3.641 0.703 10.005 1.00 0.00 H new ATOM 0 HA SER A 21 4.247 -0.503 7.381 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.965 -1.712 8.510 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.072 -0.073 9.123 1.00 0.00 H new ATOM 0 HG SER A 21 6.136 -1.652 10.821 1.00 0.00 H new ATOM 285 N LEU A 22 3.212 -2.800 7.831 1.00 0.00 N ATOM 286 CA LEU A 22 2.333 -3.959 7.932 1.00 0.00 C ATOM 287 C LEU A 22 3.014 -5.209 7.385 1.00 0.00 C ATOM 288 O LEU A 22 3.997 -5.120 6.650 1.00 0.00 O ATOM 289 CB LEU A 22 1.029 -3.702 7.175 1.00 0.00 C ATOM 290 CG LEU A 22 -0.076 -2.994 7.961 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.966 -2.192 7.025 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.899 -4.002 8.750 1.00 0.00 C ATOM 0 H LEU A 22 3.889 -2.849 7.070 1.00 0.00 H new ATOM 0 HA LEU A 22 2.108 -4.123 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.257 -3.106 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.642 -4.658 6.824 1.00 0.00 H new ATOM 0 HG LEU A 22 0.390 -2.305 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.746 -1.695 7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.367 -1.444 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.424 -2.861 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.680 -3.481 9.303 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.355 -4.716 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.252 -4.532 9.449 1.00 0.00 H new ATOM 304 N GLN A 23 2.483 -6.373 7.747 1.00 0.00 N ATOM 305 CA GLN A 23 3.040 -7.641 7.290 1.00 0.00 C ATOM 306 C GLN A 23 2.125 -8.298 6.262 1.00 0.00 C ATOM 307 O GLN A 23 1.000 -8.685 6.574 1.00 0.00 O ATOM 308 CB GLN A 23 3.255 -8.584 8.475 1.00 0.00 C ATOM 309 CG GLN A 23 4.237 -8.051 9.507 1.00 0.00 C ATOM 310 CD GLN A 23 4.376 -8.966 10.707 1.00 0.00 C ATOM 311 OE1 GLN A 23 4.520 -10.180 10.563 1.00 0.00 O ATOM 312 NE2 GLN A 23 4.333 -8.387 11.901 1.00 0.00 N ATOM 0 H GLN A 23 1.669 -6.464 8.355 1.00 0.00 H new ATOM 0 HA GLN A 23 4.001 -7.438 6.817 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.296 -8.769 8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.616 -9.544 8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.213 -7.920 9.040 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.908 -7.067 9.841 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.212 -7.377 11.974 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.421 -8.952 12.745 1.00 0.00 H new ATOM 321 N VAL A 24 2.617 -8.420 5.033 1.00 0.00 N ATOM 322 CA VAL A 24 1.844 -9.031 3.958 1.00 0.00 C ATOM 323 C VAL A 24 2.745 -9.817 3.011 1.00 0.00 C ATOM 324 O VAL A 24 3.941 -9.549 2.887 1.00 0.00 O ATOM 325 CB VAL A 24 1.070 -7.972 3.151 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.211 -7.581 3.873 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.943 -6.752 2.899 1.00 0.00 C ATOM 0 H VAL A 24 3.547 -8.104 4.757 1.00 0.00 H new ATOM 0 HA VAL A 24 1.133 -9.711 4.427 1.00 0.00 H new ATOM 0 HB VAL A 24 0.798 -8.402 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.744 -6.832 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.842 -8.461 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.034 -7.169 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.380 -6.014 2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.247 -6.319 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.829 -7.048 2.337 1.00 0.00 H new ATOM 337 N PRO A 25 2.160 -10.810 2.325 1.00 0.00 N ATOM 338 CA PRO A 25 2.891 -11.654 1.376 1.00 0.00 C ATOM 339 C PRO A 25 3.299 -10.895 0.119 1.00 0.00 C ATOM 340 O PRO A 25 2.958 -9.724 -0.047 1.00 0.00 O ATOM 341 CB PRO A 25 1.885 -12.756 1.033 1.00 0.00 C ATOM 342 CG PRO A 25 0.551 -12.139 1.277 1.00 0.00 C ATOM 343 CD PRO A 25 0.739 -11.184 2.423 1.00 0.00 C ATOM 0 HA PRO A 25 3.825 -12.026 1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.989 -13.078 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.034 -13.637 1.657 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.194 -11.617 0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.192 -12.899 1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.087 -10.315 2.333 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.512 -11.655 3.380 1.00 0.00 H new ATOM 351 N GLU A 26 4.030 -11.569 -0.764 1.00 0.00 N ATOM 352 CA GLU A 26 4.484 -10.955 -2.006 1.00 0.00 C ATOM 353 C GLU A 26 3.426 -11.091 -3.098 1.00 0.00 C ATOM 354 O GLU A 26 3.412 -10.325 -4.062 1.00 0.00 O ATOM 355 CB GLU A 26 5.795 -11.595 -2.468 1.00 0.00 C ATOM 356 CG GLU A 26 5.625 -13.002 -3.017 1.00 0.00 C ATOM 357 CD GLU A 26 6.867 -13.853 -2.835 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.616 -13.609 -1.866 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.089 -14.762 -3.661 1.00 0.00 O ATOM 0 H GLU A 26 4.320 -12.539 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 26 4.653 -9.895 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.246 -10.966 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.491 -11.623 -1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.783 -13.483 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.379 -12.947 -4.077 1.00 0.00 H new ATOM 366 N ASP A 27 2.544 -12.071 -2.940 1.00 0.00 N ATOM 367 CA ASP A 27 1.482 -12.308 -3.911 1.00 0.00 C ATOM 368 C ASP A 27 0.148 -11.775 -3.399 1.00 0.00 C ATOM 369 O ASP A 27 -0.912 -12.300 -3.738 1.00 0.00 O ATOM 370 CB ASP A 27 1.365 -13.802 -4.216 1.00 0.00 C ATOM 371 CG ASP A 27 1.274 -14.644 -2.958 1.00 0.00 C ATOM 372 OD1 ASP A 27 0.358 -14.399 -2.145 1.00 0.00 O ATOM 373 OD2 ASP A 27 2.117 -15.549 -2.788 1.00 0.00 O ATOM 0 H ASP A 27 2.543 -12.715 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 27 1.737 -11.777 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.482 -13.976 -4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.229 -14.119 -4.801 1.00 0.00 H new ATOM 378 N GLU A 28 0.209 -10.729 -2.579 1.00 0.00 N ATOM 379 CA GLU A 28 -0.994 -10.127 -2.019 1.00 0.00 C ATOM 380 C GLU A 28 -1.728 -9.298 -3.070 1.00 0.00 C ATOM 381 O GLU A 28 -1.135 -8.861 -4.057 1.00 0.00 O ATOM 382 CB GLU A 28 -0.640 -9.249 -0.817 1.00 0.00 C ATOM 383 CG GLU A 28 -1.773 -9.104 0.185 1.00 0.00 C ATOM 384 CD GLU A 28 -2.372 -10.438 0.586 1.00 0.00 C ATOM 385 OE1 GLU A 28 -1.864 -11.050 1.548 1.00 0.00 O ATOM 386 OE2 GLU A 28 -3.348 -10.869 -0.062 1.00 0.00 O ATOM 0 H GLU A 28 1.079 -10.282 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.652 -10.931 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.229 -9.672 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.352 -8.260 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.403 -8.594 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.553 -8.474 -0.243 1.00 0.00 H new ATOM 393 N LEU A 29 -3.020 -9.086 -2.851 1.00 0.00 N ATOM 394 CA LEU A 29 -3.836 -8.309 -3.778 1.00 0.00 C ATOM 395 C LEU A 29 -3.898 -6.845 -3.355 1.00 0.00 C ATOM 396 O LEU A 29 -4.250 -6.531 -2.218 1.00 0.00 O ATOM 397 CB LEU A 29 -5.249 -8.890 -3.854 1.00 0.00 C ATOM 398 CG LEU A 29 -5.344 -10.398 -4.088 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.755 -10.894 -3.812 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.923 -10.745 -5.508 1.00 0.00 C ATOM 0 H LEU A 29 -3.526 -9.441 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.373 -8.363 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.768 -8.654 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.786 -8.384 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.664 -10.897 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.803 -11.969 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.020 -10.680 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.455 -10.389 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.997 -11.822 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.577 -10.235 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.893 -10.426 -5.670 1.00 0.00 H new ATOM 412 N VAL A 30 -3.555 -5.953 -4.279 1.00 0.00 N ATOM 413 CA VAL A 30 -3.574 -4.521 -4.003 1.00 0.00 C ATOM 414 C VAL A 30 -4.830 -4.126 -3.235 1.00 0.00 C ATOM 415 O VAL A 30 -4.818 -3.177 -2.451 1.00 0.00 O ATOM 416 CB VAL A 30 -3.501 -3.698 -5.303 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.452 -2.211 -4.991 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.296 -4.118 -6.132 1.00 0.00 C ATOM 0 H VAL A 30 -3.261 -6.196 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.696 -4.304 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.400 -3.892 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.401 -1.646 -5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.349 -1.925 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.571 -1.995 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.260 -3.527 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.384 -3.954 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.380 -5.175 -6.386 1.00 0.00 H new ATOM 428 N SER A 31 -5.913 -4.862 -3.463 1.00 0.00 N ATOM 429 CA SER A 31 -7.179 -4.587 -2.795 1.00 0.00 C ATOM 430 C SER A 31 -7.070 -4.848 -1.295 1.00 0.00 C ATOM 431 O SER A 31 -7.586 -4.083 -0.480 1.00 0.00 O ATOM 432 CB SER A 31 -8.294 -5.447 -3.393 1.00 0.00 C ATOM 433 OG SER A 31 -9.441 -5.447 -2.561 1.00 0.00 O ATOM 0 H SER A 31 -5.939 -5.654 -4.106 1.00 0.00 H new ATOM 0 HA SER A 31 -7.420 -3.535 -2.947 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.558 -5.070 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.938 -6.468 -3.526 1.00 0.00 H new ATOM 0 HG SER A 31 -10.139 -6.002 -2.966 1.00 0.00 H new ATOM 439 N THR A 32 -6.393 -5.935 -0.938 1.00 0.00 N ATOM 440 CA THR A 32 -6.216 -6.299 0.462 1.00 0.00 C ATOM 441 C THR A 32 -5.038 -5.553 1.079 1.00 0.00 C ATOM 442 O THR A 32 -4.983 -5.355 2.294 1.00 0.00 O ATOM 443 CB THR A 32 -5.991 -7.814 0.624 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.009 -8.538 -0.075 1.00 0.00 O ATOM 445 CG2 THR A 32 -5.999 -8.208 2.094 1.00 0.00 C ATOM 0 H THR A 32 -5.958 -6.578 -1.599 1.00 0.00 H new ATOM 0 HA THR A 32 -7.133 -6.018 0.980 1.00 0.00 H new ATOM 0 HB THR A 32 -5.016 -8.061 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.858 -9.500 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.838 -9.282 2.184 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.204 -7.677 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.961 -7.947 2.535 1.00 0.00 H new ATOM 453 N LEU A 33 -4.098 -5.141 0.236 1.00 0.00 N ATOM 454 CA LEU A 33 -2.920 -4.415 0.700 1.00 0.00 C ATOM 455 C LEU A 33 -3.283 -2.990 1.104 1.00 0.00 C ATOM 456 O LEU A 33 -2.660 -2.406 1.991 1.00 0.00 O ATOM 457 CB LEU A 33 -1.849 -4.391 -0.392 1.00 0.00 C ATOM 458 CG LEU A 33 -1.179 -5.729 -0.705 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.722 -5.771 -2.155 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.006 -5.970 0.233 1.00 0.00 C ATOM 0 H LEU A 33 -4.128 -5.297 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.526 -4.932 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.301 -4.011 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.076 -3.680 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.909 -6.524 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.247 -6.731 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.583 -5.645 -2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.008 -4.968 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.459 -6.927 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.726 -5.171 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.361 -5.985 1.263 1.00 0.00 H new ATOM 472 N LYS A 34 -4.297 -2.434 0.448 1.00 0.00 N ATOM 473 CA LYS A 34 -4.746 -1.078 0.740 1.00 0.00 C ATOM 474 C LYS A 34 -5.641 -1.056 1.975 1.00 0.00 C ATOM 475 O LYS A 34 -5.502 -0.189 2.837 1.00 0.00 O ATOM 476 CB LYS A 34 -5.500 -0.500 -0.460 1.00 0.00 C ATOM 477 CG LYS A 34 -4.599 -0.140 -1.629 1.00 0.00 C ATOM 478 CD LYS A 34 -5.351 -0.190 -2.948 1.00 0.00 C ATOM 479 CE LYS A 34 -4.742 0.755 -3.973 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.005 2.182 -3.637 1.00 0.00 N ATOM 0 H LYS A 34 -4.823 -2.902 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.867 -0.465 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.243 -1.224 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.043 0.390 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.190 0.859 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.755 -0.828 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.338 -1.208 -3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.395 0.075 -2.783 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.666 0.587 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.150 0.533 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.888 2.767 -4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.977 2.281 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.334 2.496 -2.907 1.00 0.00 H new ATOM 494 N GLN A 35 -6.558 -2.015 2.053 1.00 0.00 N ATOM 495 CA GLN A 35 -7.474 -2.105 3.184 1.00 0.00 C ATOM 496 C GLN A 35 -6.709 -2.188 4.500 1.00 0.00 C ATOM 497 O GLN A 35 -6.936 -1.394 5.414 1.00 0.00 O ATOM 498 CB GLN A 35 -8.387 -3.323 3.033 1.00 0.00 C ATOM 499 CG GLN A 35 -9.502 -3.126 2.019 1.00 0.00 C ATOM 500 CD GLN A 35 -10.229 -4.416 1.693 1.00 0.00 C ATOM 501 OE1 GLN A 35 -10.565 -5.195 2.586 1.00 0.00 O ATOM 502 NE2 GLN A 35 -10.477 -4.648 0.410 1.00 0.00 N ATOM 0 H GLN A 35 -6.686 -2.740 1.347 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.084 -1.202 3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.786 -4.183 2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.826 -3.560 4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.216 -2.399 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.085 -2.707 1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.180 -3.975 -0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.964 -5.499 0.131 1.00 0.00 H new ATOM 511 N LEU A 36 -5.801 -3.154 4.590 1.00 0.00 N ATOM 512 CA LEU A 36 -5.001 -3.342 5.796 1.00 0.00 C ATOM 513 C LEU A 36 -4.557 -2.000 6.369 1.00 0.00 C ATOM 514 O LEU A 36 -4.559 -1.801 7.584 1.00 0.00 O ATOM 515 CB LEU A 36 -3.778 -4.208 5.490 1.00 0.00 C ATOM 516 CG LEU A 36 -4.061 -5.669 5.139 1.00 0.00 C ATOM 517 CD1 LEU A 36 -2.885 -6.275 4.388 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.363 -6.470 6.396 1.00 0.00 C ATOM 0 H LEU A 36 -5.600 -3.819 3.843 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.620 -3.847 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.235 -3.755 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.116 -4.185 6.355 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.937 -5.704 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.104 -7.315 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.715 -5.717 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.992 -6.228 5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.562 -7.507 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.507 -6.427 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.237 -6.050 6.894 1.00 0.00 H new ATOM 530 N VAL A 37 -4.180 -1.080 5.487 1.00 0.00 N ATOM 531 CA VAL A 37 -3.737 0.244 5.905 1.00 0.00 C ATOM 532 C VAL A 37 -4.924 1.146 6.222 1.00 0.00 C ATOM 533 O VAL A 37 -4.869 1.961 7.143 1.00 0.00 O ATOM 534 CB VAL A 37 -2.872 0.915 4.821 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.467 2.316 5.252 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.647 0.067 4.517 1.00 0.00 C ATOM 0 H VAL A 37 -4.173 -1.228 4.478 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.137 0.107 6.805 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.463 0.998 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.857 2.774 4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.360 2.919 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.893 2.260 6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.047 0.556 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.052 -0.050 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.963 -0.914 4.161 1.00 0.00 H new ATOM 546 N SER A 38 -5.998 0.994 5.453 1.00 0.00 N ATOM 547 CA SER A 38 -7.199 1.797 5.650 1.00 0.00 C ATOM 548 C SER A 38 -7.546 1.901 7.132 1.00 0.00 C ATOM 549 O SER A 38 -7.966 2.955 7.609 1.00 0.00 O ATOM 550 CB SER A 38 -8.375 1.191 4.881 1.00 0.00 C ATOM 551 OG SER A 38 -9.054 0.225 5.665 1.00 0.00 O ATOM 0 H SER A 38 -6.061 0.322 4.688 1.00 0.00 H new ATOM 0 HA SER A 38 -7.002 2.799 5.269 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.068 1.980 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.013 0.729 3.962 1.00 0.00 H new ATOM 0 HG SER A 38 -8.489 -0.569 5.768 1.00 0.00 H new ATOM 557 N GLU A 39 -7.367 0.800 7.855 1.00 0.00 N ATOM 558 CA GLU A 39 -7.661 0.767 9.282 1.00 0.00 C ATOM 559 C GLU A 39 -6.496 1.328 10.091 1.00 0.00 C ATOM 560 O GLU A 39 -6.690 1.917 11.156 1.00 0.00 O ATOM 561 CB GLU A 39 -7.965 -0.664 9.730 1.00 0.00 C ATOM 562 CG GLU A 39 -9.257 -1.221 9.156 1.00 0.00 C ATOM 563 CD GLU A 39 -10.485 -0.495 9.671 1.00 0.00 C ATOM 564 OE1 GLU A 39 -10.775 0.611 9.170 1.00 0.00 O ATOM 565 OE2 GLU A 39 -11.156 -1.034 10.576 1.00 0.00 O ATOM 0 H GLU A 39 -7.020 -0.081 7.475 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.538 1.390 9.460 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.138 -1.311 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.020 -0.691 10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.227 -1.151 8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.334 -2.279 9.405 1.00 0.00 H new ATOM 572 N LYS A 40 -5.284 1.142 9.580 1.00 0.00 N ATOM 573 CA LYS A 40 -4.085 1.629 10.252 1.00 0.00 C ATOM 574 C LYS A 40 -4.165 3.135 10.483 1.00 0.00 C ATOM 575 O LYS A 40 -3.937 3.616 11.593 1.00 0.00 O ATOM 576 CB LYS A 40 -2.841 1.293 9.428 1.00 0.00 C ATOM 577 CG LYS A 40 -2.284 -0.093 9.704 1.00 0.00 C ATOM 578 CD LYS A 40 -1.650 -0.174 11.083 1.00 0.00 C ATOM 579 CE LYS A 40 -0.797 -1.424 11.232 1.00 0.00 C ATOM 580 NZ LYS A 40 -0.111 -1.474 12.553 1.00 0.00 N ATOM 0 H LYS A 40 -5.106 0.656 8.701 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.015 1.134 11.221 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.085 1.373 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.068 2.034 9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.084 -0.830 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.543 -0.346 8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.035 0.710 11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.430 -0.172 11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.424 -2.308 11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.053 -1.453 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.460 -2.341 12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.507 -0.644 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.821 -1.472 13.313 1.00 0.00 H new ATOM 594 N LEU A 41 -4.491 3.873 9.427 1.00 0.00 N ATOM 595 CA LEU A 41 -4.602 5.325 9.515 1.00 0.00 C ATOM 596 C LEU A 41 -6.064 5.760 9.520 1.00 0.00 C ATOM 597 O LEU A 41 -6.370 6.944 9.386 1.00 0.00 O ATOM 598 CB LEU A 41 -3.866 5.984 8.347 1.00 0.00 C ATOM 599 CG LEU A 41 -2.341 5.881 8.370 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.749 6.430 7.082 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.775 6.616 9.576 1.00 0.00 C ATOM 0 H LEU A 41 -4.683 3.490 8.501 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.144 5.644 10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.226 5.539 7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.138 7.039 8.321 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.068 4.829 8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.663 6.348 7.117 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.129 5.859 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.031 7.477 6.969 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.688 6.532 9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.058 7.668 9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.173 6.176 10.490 1.00 0.00 H new ATOM 613 N ASN A 42 -6.963 4.794 9.679 1.00 0.00 N ATOM 614 CA ASN A 42 -8.393 5.077 9.703 1.00 0.00 C ATOM 615 C ASN A 42 -8.812 5.870 8.469 1.00 0.00 C ATOM 616 O ASN A 42 -9.735 6.683 8.524 1.00 0.00 O ATOM 617 CB ASN A 42 -8.759 5.853 10.970 1.00 0.00 C ATOM 618 CG ASN A 42 -10.255 6.048 11.117 1.00 0.00 C ATOM 619 OD1 ASN A 42 -10.745 7.177 11.163 1.00 0.00 O ATOM 620 ND2 ASN A 42 -10.990 4.944 11.193 1.00 0.00 N ATOM 0 H ASN A 42 -6.726 3.808 9.793 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.926 4.126 9.700 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.377 5.321 11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.269 6.826 10.951 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.003 5.012 11.294 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.542 4.029 11.151 1.00 0.00 H new ATOM 627 N VAL A 43 -8.128 5.626 7.356 1.00 0.00 N ATOM 628 CA VAL A 43 -8.429 6.316 6.107 1.00 0.00 C ATOM 629 C VAL A 43 -9.092 5.375 5.106 1.00 0.00 C ATOM 630 O VAL A 43 -8.686 4.226 4.934 1.00 0.00 O ATOM 631 CB VAL A 43 -7.158 6.909 5.472 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.514 7.787 4.282 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.364 7.695 6.505 1.00 0.00 C ATOM 0 H VAL A 43 -7.362 4.956 7.293 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.116 7.126 6.351 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.536 6.089 5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.603 8.197 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.037 7.191 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.158 8.603 4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.469 8.107 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.978 8.508 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.076 7.034 7.323 1.00 0.00 H new ATOM 643 N PRO A 44 -10.137 5.873 4.429 1.00 0.00 N ATOM 644 CA PRO A 44 -10.878 5.094 3.432 1.00 0.00 C ATOM 645 C PRO A 44 -10.058 4.836 2.172 1.00 0.00 C ATOM 646 O PRO A 44 -9.409 5.739 1.645 1.00 0.00 O ATOM 647 CB PRO A 44 -12.083 5.982 3.113 1.00 0.00 C ATOM 648 CG PRO A 44 -11.629 7.365 3.428 1.00 0.00 C ATOM 649 CD PRO A 44 -10.675 7.235 4.582 1.00 0.00 C ATOM 0 HA PRO A 44 -11.146 4.105 3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.376 5.890 2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.950 5.704 3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.140 7.821 2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.473 8.003 3.690 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.886 7.986 4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.182 7.362 5.539 1.00 0.00 H new ATOM 657 N VAL A 45 -10.093 3.596 1.693 1.00 0.00 N ATOM 658 CA VAL A 45 -9.355 3.219 0.494 1.00 0.00 C ATOM 659 C VAL A 45 -9.790 4.055 -0.705 1.00 0.00 C ATOM 660 O VAL A 45 -9.060 4.175 -1.689 1.00 0.00 O ATOM 661 CB VAL A 45 -9.547 1.728 0.162 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.532 1.277 -0.878 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.441 0.884 1.424 1.00 0.00 C ATOM 0 H VAL A 45 -10.625 2.836 2.117 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.301 3.405 0.700 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.544 1.592 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.683 0.221 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.661 1.861 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.524 1.426 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.579 -0.167 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.458 1.023 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.210 1.191 2.133 1.00 0.00 H new ATOM 673 N ARG A 46 -10.984 4.632 -0.615 1.00 0.00 N ATOM 674 CA ARG A 46 -11.517 5.457 -1.693 1.00 0.00 C ATOM 675 C ARG A 46 -10.694 6.731 -1.860 1.00 0.00 C ATOM 676 O ARG A 46 -10.690 7.341 -2.929 1.00 0.00 O ATOM 677 CB ARG A 46 -12.979 5.813 -1.415 1.00 0.00 C ATOM 678 CG ARG A 46 -13.962 4.746 -1.866 1.00 0.00 C ATOM 679 CD ARG A 46 -15.330 5.341 -2.167 1.00 0.00 C ATOM 680 NE ARG A 46 -15.422 5.834 -3.539 1.00 0.00 N ATOM 681 CZ ARG A 46 -16.531 6.342 -4.064 1.00 0.00 C ATOM 682 NH1 ARG A 46 -17.636 6.424 -3.335 1.00 0.00 N ATOM 683 NH2 ARG A 46 -16.536 6.771 -5.319 1.00 0.00 N ATOM 0 H ARG A 46 -11.600 4.544 0.193 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.459 4.884 -2.619 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.106 5.983 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.218 6.750 -1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.577 4.247 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.057 3.986 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -16.098 4.586 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.531 6.158 -1.474 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.589 5.785 -4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.635 6.097 -2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.487 6.815 -3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.688 6.711 -5.882 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.388 7.161 -5.721 1.00 0.00 H new ATOM 697 N GLN A 47 -10.000 7.125 -0.798 1.00 0.00 N ATOM 698 CA GLN A 47 -9.175 8.327 -0.827 1.00 0.00 C ATOM 699 C GLN A 47 -7.696 7.969 -0.933 1.00 0.00 C ATOM 700 O GLN A 47 -7.073 8.169 -1.975 1.00 0.00 O ATOM 701 CB GLN A 47 -9.420 9.170 0.425 1.00 0.00 C ATOM 702 CG GLN A 47 -8.210 9.982 0.858 1.00 0.00 C ATOM 703 CD GLN A 47 -8.591 11.244 1.606 1.00 0.00 C ATOM 704 OE1 GLN A 47 -8.982 12.276 0.867 1.00 0.00 O flip ATOM 705 NE2 GLN A 47 -8.535 11.292 2.835 1.00 0.00 N flip ATOM 0 H GLN A 47 -9.992 6.630 0.094 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.454 8.908 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.254 9.847 0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.718 8.513 1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.573 9.367 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.623 10.248 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.229 10.475 3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.795 12.148 3.324 1.00 0.00 H new ATOM 714 N GLN A 48 -7.142 7.440 0.153 1.00 0.00 N ATOM 715 CA GLN A 48 -5.735 7.056 0.182 1.00 0.00 C ATOM 716 C GLN A 48 -5.381 6.197 -1.027 1.00 0.00 C ATOM 717 O GLN A 48 -6.029 5.185 -1.293 1.00 0.00 O ATOM 718 CB GLN A 48 -5.419 6.298 1.473 1.00 0.00 C ATOM 719 CG GLN A 48 -5.918 4.862 1.473 1.00 0.00 C ATOM 720 CD GLN A 48 -5.605 4.136 2.766 1.00 0.00 C ATOM 721 OE1 GLN A 48 -5.078 4.724 3.710 1.00 0.00 O ATOM 722 NE2 GLN A 48 -5.929 2.849 2.816 1.00 0.00 N ATOM 0 H GLN A 48 -7.645 7.268 1.024 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.134 7.965 0.147 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.340 6.299 1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.864 6.829 2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.996 4.856 1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.466 4.324 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.365 2.401 2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.742 2.309 3.661 1.00 0.00 H new ATOM 731 N ARG A 49 -4.347 6.607 -1.755 1.00 0.00 N ATOM 732 CA ARG A 49 -3.908 5.875 -2.937 1.00 0.00 C ATOM 733 C ARG A 49 -2.462 5.413 -2.783 1.00 0.00 C ATOM 734 O ARG A 49 -1.680 6.018 -2.048 1.00 0.00 O ATOM 735 CB ARG A 49 -4.045 6.749 -4.185 1.00 0.00 C ATOM 736 CG ARG A 49 -3.547 6.080 -5.455 1.00 0.00 C ATOM 737 CD ARG A 49 -3.805 6.946 -6.679 1.00 0.00 C ATOM 738 NE ARG A 49 -3.038 8.188 -6.641 1.00 0.00 N ATOM 739 CZ ARG A 49 -2.832 8.957 -7.705 1.00 0.00 C ATOM 740 NH1 ARG A 49 -3.333 8.612 -8.883 1.00 0.00 N ATOM 741 NH2 ARG A 49 -2.123 10.073 -7.591 1.00 0.00 N ATOM 0 H ARG A 49 -3.798 7.441 -1.547 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.543 4.996 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.093 7.021 -4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.492 7.676 -4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.479 5.880 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.042 5.117 -5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.547 6.388 -7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.868 7.178 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.639 8.481 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.878 7.755 -8.974 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.173 9.204 -9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.736 10.341 -6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.965 10.663 -8.408 1.00 0.00 H new ATOM 755 N LEU A 50 -2.112 4.338 -3.481 1.00 0.00 N ATOM 756 CA LEU A 50 -0.760 3.794 -3.422 1.00 0.00 C ATOM 757 C LEU A 50 0.014 4.119 -4.696 1.00 0.00 C ATOM 758 O LEU A 50 -0.568 4.241 -5.774 1.00 0.00 O ATOM 759 CB LEU A 50 -0.807 2.279 -3.213 1.00 0.00 C ATOM 760 CG LEU A 50 -1.289 1.805 -1.841 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.486 0.298 -1.836 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.303 2.220 -0.758 1.00 0.00 C ATOM 0 H LEU A 50 -2.746 3.826 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.246 4.255 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.458 1.848 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.192 1.878 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.249 2.276 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.829 -0.021 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.229 0.026 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.541 -0.193 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.661 1.875 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.671 1.777 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.212 3.306 -0.746 1.00 0.00 H new ATOM 774 N LEU A 51 1.328 4.256 -4.564 1.00 0.00 N ATOM 775 CA LEU A 51 2.183 4.564 -5.705 1.00 0.00 C ATOM 776 C LEU A 51 3.559 3.926 -5.543 1.00 0.00 C ATOM 777 O LEU A 51 4.135 3.935 -4.455 1.00 0.00 O ATOM 778 CB LEU A 51 2.327 6.079 -5.866 1.00 0.00 C ATOM 779 CG LEU A 51 1.134 6.803 -6.491 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.350 8.308 -6.464 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.905 6.321 -7.916 1.00 0.00 C ATOM 0 H LEU A 51 1.825 4.159 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 51 1.715 4.152 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.516 6.512 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.208 6.277 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 51 0.245 6.573 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.491 8.807 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.465 8.641 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.249 8.557 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.052 6.847 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.794 6.521 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.705 5.250 -7.910 1.00 0.00 H new ATOM 793 N PHE A 52 4.082 3.375 -6.633 1.00 0.00 N ATOM 794 CA PHE A 52 5.392 2.733 -6.612 1.00 0.00 C ATOM 795 C PHE A 52 6.318 3.353 -7.655 1.00 0.00 C ATOM 796 O PHE A 52 6.092 3.222 -8.859 1.00 0.00 O ATOM 797 CB PHE A 52 5.251 1.231 -6.867 1.00 0.00 C ATOM 798 CG PHE A 52 6.537 0.472 -6.702 1.00 0.00 C ATOM 799 CD1 PHE A 52 6.985 0.109 -5.442 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.297 0.122 -7.806 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.168 -0.589 -5.287 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.481 -0.576 -7.657 1.00 0.00 C ATOM 803 CZ PHE A 52 8.916 -0.933 -6.396 1.00 0.00 C ATOM 0 H PHE A 52 3.619 3.360 -7.542 1.00 0.00 H new ATOM 0 HA PHE A 52 5.829 2.888 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.507 0.823 -6.183 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.874 1.076 -7.878 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.403 0.374 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.961 0.398 -8.795 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.507 -0.865 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.065 -0.842 -8.526 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.839 -1.480 -6.277 1.00 0.00 H new ATOM 813 N LYS A 53 7.360 4.029 -7.185 1.00 0.00 N ATOM 814 CA LYS A 53 8.322 4.669 -8.074 1.00 0.00 C ATOM 815 C LYS A 53 7.612 5.396 -9.211 1.00 0.00 C ATOM 816 O LYS A 53 8.097 5.425 -10.341 1.00 0.00 O ATOM 817 CB LYS A 53 9.290 3.630 -8.645 1.00 0.00 C ATOM 818 CG LYS A 53 10.441 3.294 -7.711 1.00 0.00 C ATOM 819 CD LYS A 53 10.925 1.868 -7.915 1.00 0.00 C ATOM 820 CE LYS A 53 11.996 1.493 -6.902 1.00 0.00 C ATOM 821 NZ LYS A 53 11.407 1.116 -5.587 1.00 0.00 N ATOM 0 H LYS A 53 7.560 4.148 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 53 8.884 5.400 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.739 2.718 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.694 4.001 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.265 3.987 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.123 3.427 -6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.083 1.181 -7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.323 1.758 -8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.586 0.661 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.678 2.332 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.125 0.631 -5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.087 1.973 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.597 0.481 -5.738 1.00 0.00 H new ATOM 835 N GLY A 54 6.459 5.983 -8.904 1.00 0.00 N ATOM 836 CA GLY A 54 5.702 6.703 -9.911 1.00 0.00 C ATOM 837 C GLY A 54 4.838 5.785 -10.753 1.00 0.00 C ATOM 838 O GLY A 54 4.557 6.078 -11.915 1.00 0.00 O ATOM 0 H GLY A 54 6.036 5.973 -7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.070 7.446 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.390 7.245 -10.560 1.00 0.00 H new ATOM 842 N LYS A 55 4.417 4.670 -10.167 1.00 0.00 N ATOM 843 CA LYS A 55 3.580 3.704 -10.870 1.00 0.00 C ATOM 844 C LYS A 55 2.230 3.548 -10.178 1.00 0.00 C ATOM 845 O LYS A 55 2.163 3.212 -8.997 1.00 0.00 O ATOM 846 CB LYS A 55 4.285 2.348 -10.948 1.00 0.00 C ATOM 847 CG LYS A 55 3.671 1.400 -11.963 1.00 0.00 C ATOM 848 CD LYS A 55 4.147 1.708 -13.373 1.00 0.00 C ATOM 849 CE LYS A 55 5.509 1.089 -13.649 1.00 0.00 C ATOM 850 NZ LYS A 55 5.397 -0.341 -14.049 1.00 0.00 N ATOM 0 H LYS A 55 4.642 4.412 -9.206 1.00 0.00 H new ATOM 0 HA LYS A 55 3.410 4.076 -11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.333 2.507 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.261 1.879 -9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.931 0.373 -11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.584 1.474 -11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.422 1.330 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.202 2.788 -13.512 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.009 1.649 -14.439 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.132 1.169 -12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.346 -0.727 -14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.943 -0.881 -13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.824 -0.416 -14.914 1.00 0.00 H new ATOM 864 N ALA A 56 1.157 3.794 -10.923 1.00 0.00 N ATOM 865 CA ALA A 56 -0.192 3.677 -10.381 1.00 0.00 C ATOM 866 C ALA A 56 -0.611 2.216 -10.264 1.00 0.00 C ATOM 867 O ALA A 56 -0.735 1.512 -11.268 1.00 0.00 O ATOM 868 CB ALA A 56 -1.178 4.444 -11.250 1.00 0.00 C ATOM 0 H ALA A 56 1.195 4.075 -11.903 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.194 4.109 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.181 4.348 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.896 5.496 -11.278 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.164 4.038 -12.261 1.00 0.00 H new ATOM 874 N LEU A 57 -0.829 1.764 -9.034 1.00 0.00 N ATOM 875 CA LEU A 57 -1.234 0.385 -8.786 1.00 0.00 C ATOM 876 C LEU A 57 -2.724 0.199 -9.054 1.00 0.00 C ATOM 877 O LEU A 57 -3.529 1.092 -8.790 1.00 0.00 O ATOM 878 CB LEU A 57 -0.911 -0.010 -7.344 1.00 0.00 C ATOM 879 CG LEU A 57 0.402 0.530 -6.778 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.681 -0.070 -5.408 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.552 0.244 -7.732 1.00 0.00 C ATOM 0 H LEU A 57 -0.732 2.333 -8.193 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.678 -0.259 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.726 0.329 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.890 -1.098 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 57 0.309 1.610 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.620 0.327 -5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.130 0.187 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.753 -1.154 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.479 0.636 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.646 -0.832 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.357 0.723 -8.691 1.00 0.00 H new ATOM 893 N ALA A 58 -3.084 -0.967 -9.580 1.00 0.00 N ATOM 894 CA ALA A 58 -4.477 -1.272 -9.880 1.00 0.00 C ATOM 895 C ALA A 58 -5.046 -2.278 -8.885 1.00 0.00 C ATOM 896 O ALA A 58 -4.459 -3.335 -8.651 1.00 0.00 O ATOM 897 CB ALA A 58 -4.607 -1.802 -11.301 1.00 0.00 C ATOM 0 H ALA A 58 -2.430 -1.716 -9.807 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.051 -0.350 -9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.653 -2.026 -11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.248 -1.050 -12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.013 -2.710 -11.406 1.00 0.00 H new ATOM 903 N ASP A 59 -6.191 -1.942 -8.301 1.00 0.00 N ATOM 904 CA ASP A 59 -6.840 -2.816 -7.330 1.00 0.00 C ATOM 905 C ASP A 59 -7.168 -4.169 -7.952 1.00 0.00 C ATOM 906 O ASP A 59 -7.878 -4.247 -8.954 1.00 0.00 O ATOM 907 CB ASP A 59 -8.115 -2.163 -6.796 1.00 0.00 C ATOM 908 CG ASP A 59 -9.098 -1.824 -7.900 1.00 0.00 C ATOM 909 OD1 ASP A 59 -8.705 -1.110 -8.846 1.00 0.00 O ATOM 910 OD2 ASP A 59 -10.260 -2.274 -7.817 1.00 0.00 O ATOM 0 H ASP A 59 -6.689 -1.071 -8.483 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.149 -2.975 -6.502 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.592 -2.835 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.855 -1.254 -6.254 1.00 0.00 H new ATOM 915 N GLY A 60 -6.646 -5.234 -7.351 1.00 0.00 N ATOM 916 CA GLY A 60 -6.894 -6.570 -7.861 1.00 0.00 C ATOM 917 C GLY A 60 -5.615 -7.303 -8.214 1.00 0.00 C ATOM 918 O GLY A 60 -5.487 -8.501 -7.960 1.00 0.00 O ATOM 0 H GLY A 60 -6.056 -5.195 -6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.444 -7.144 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.528 -6.506 -8.745 1.00 0.00 H new ATOM 922 N LYS A 61 -4.666 -6.584 -8.802 1.00 0.00 N ATOM 923 CA LYS A 61 -3.390 -7.172 -9.192 1.00 0.00 C ATOM 924 C LYS A 61 -2.545 -7.499 -7.965 1.00 0.00 C ATOM 925 O LYS A 61 -2.937 -7.210 -6.834 1.00 0.00 O ATOM 926 CB LYS A 61 -2.625 -6.218 -10.112 1.00 0.00 C ATOM 927 CG LYS A 61 -3.063 -6.293 -11.565 1.00 0.00 C ATOM 928 CD LYS A 61 -1.926 -5.938 -12.509 1.00 0.00 C ATOM 929 CE LYS A 61 -1.880 -4.444 -12.789 1.00 0.00 C ATOM 930 NZ LYS A 61 -2.825 -4.053 -13.871 1.00 0.00 N ATOM 0 H LYS A 61 -4.756 -5.592 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.594 -8.098 -9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.757 -5.197 -9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.560 -6.443 -10.050 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.421 -7.298 -11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.899 -5.614 -11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.978 -6.257 -12.075 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.047 -6.481 -13.446 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.124 -3.896 -11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.867 -4.158 -13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.764 -3.027 -14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.577 -4.556 -14.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.795 -4.302 -13.591 1.00 0.00 H new ATOM 944 N ARG A 62 -1.383 -8.101 -8.196 1.00 0.00 N ATOM 945 CA ARG A 62 -0.482 -8.466 -7.109 1.00 0.00 C ATOM 946 C ARG A 62 0.815 -7.666 -7.184 1.00 0.00 C ATOM 947 O ARG A 62 1.379 -7.478 -8.263 1.00 0.00 O ATOM 948 CB ARG A 62 -0.173 -9.964 -7.156 1.00 0.00 C ATOM 949 CG ARG A 62 -1.404 -10.845 -7.023 1.00 0.00 C ATOM 950 CD ARG A 62 -1.231 -12.161 -7.765 1.00 0.00 C ATOM 951 NE ARG A 62 -2.113 -13.202 -7.246 1.00 0.00 N ATOM 952 CZ ARG A 62 -2.212 -14.414 -7.780 1.00 0.00 C ATOM 953 NH1 ARG A 62 -1.487 -14.736 -8.842 1.00 0.00 N ATOM 954 NH2 ARG A 62 -3.038 -15.308 -7.251 1.00 0.00 N ATOM 0 H ARG A 62 -1.043 -8.346 -9.126 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.978 -8.233 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.328 -10.194 -8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.526 -10.207 -6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.598 -11.043 -5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.274 -10.317 -7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.434 -12.009 -8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.195 -12.490 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.684 -12.987 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.851 -14.052 -9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.565 -15.668 -9.250 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.597 -15.065 -6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.113 -16.239 -7.662 1.00 0.00 H new ATOM 968 N LEU A 63 1.281 -7.195 -6.033 1.00 0.00 N ATOM 969 CA LEU A 63 2.511 -6.414 -5.968 1.00 0.00 C ATOM 970 C LEU A 63 3.652 -7.133 -6.681 1.00 0.00 C ATOM 971 O LEU A 63 4.535 -6.499 -7.259 1.00 0.00 O ATOM 972 CB LEU A 63 2.893 -6.147 -4.511 1.00 0.00 C ATOM 973 CG LEU A 63 2.139 -5.013 -3.817 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.483 -4.971 -2.336 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.455 -3.679 -4.477 1.00 0.00 C ATOM 0 H LEU A 63 0.826 -7.340 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 63 2.335 -5.463 -6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.736 -7.063 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.959 -5.926 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 63 1.070 -5.200 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.937 -4.157 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.205 -5.917 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.554 -4.809 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.909 -2.884 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.525 -3.484 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.157 -3.712 -5.525 1.00 0.00 H new ATOM 987 N SER A 64 3.625 -8.462 -6.638 1.00 0.00 N ATOM 988 CA SER A 64 4.658 -9.268 -7.279 1.00 0.00 C ATOM 989 C SER A 64 4.690 -9.015 -8.783 1.00 0.00 C ATOM 990 O SER A 64 5.737 -9.127 -9.420 1.00 0.00 O ATOM 991 CB SER A 64 4.417 -10.754 -7.005 1.00 0.00 C ATOM 992 OG SER A 64 5.065 -11.164 -5.814 1.00 0.00 O ATOM 0 H SER A 64 2.900 -9.003 -6.167 1.00 0.00 H new ATOM 0 HA SER A 64 5.622 -8.980 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.347 -10.943 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.783 -11.346 -7.844 1.00 0.00 H new ATOM 0 HG SER A 64 4.768 -10.600 -5.069 1.00 0.00 H new ATOM 998 N ASP A 65 3.535 -8.672 -9.343 1.00 0.00 N ATOM 999 CA ASP A 65 3.429 -8.401 -10.772 1.00 0.00 C ATOM 1000 C ASP A 65 4.044 -7.048 -11.116 1.00 0.00 C ATOM 1001 O ASP A 65 4.513 -6.834 -12.234 1.00 0.00 O ATOM 1002 CB ASP A 65 1.965 -8.437 -11.213 1.00 0.00 C ATOM 1003 CG ASP A 65 1.404 -9.845 -11.243 1.00 0.00 C ATOM 1004 OD1 ASP A 65 1.029 -10.358 -10.168 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.339 -10.434 -12.343 1.00 0.00 O ATOM 0 H ASP A 65 2.659 -8.575 -8.829 1.00 0.00 H new ATOM 0 HA ASP A 65 3.980 -9.176 -11.305 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.369 -7.826 -10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.876 -7.992 -12.204 1.00 0.00 H new ATOM 1010 N TYR A 66 4.036 -6.138 -10.148 1.00 0.00 N ATOM 1011 CA TYR A 66 4.590 -4.804 -10.350 1.00 0.00 C ATOM 1012 C TYR A 66 6.083 -4.781 -10.038 1.00 0.00 C ATOM 1013 O TYR A 66 6.687 -3.716 -9.916 1.00 0.00 O ATOM 1014 CB TYR A 66 3.859 -3.788 -9.471 1.00 0.00 C ATOM 1015 CG TYR A 66 2.588 -3.254 -10.092 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.621 -2.193 -10.988 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.353 -3.812 -9.782 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.462 -1.702 -11.557 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.189 -3.328 -10.347 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.248 -2.273 -11.234 1.00 0.00 C ATOM 1021 OH TYR A 66 -0.908 -1.788 -11.799 1.00 0.00 O ATOM 0 H TYR A 66 3.653 -6.299 -9.217 1.00 0.00 H new ATOM 0 HA TYR A 66 4.452 -4.536 -11.397 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.619 -4.253 -8.515 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.529 -2.954 -9.260 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.569 -1.744 -11.244 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.303 -4.638 -9.088 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.506 -0.876 -12.251 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.762 -3.773 -10.096 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.935 -0.813 -11.702 1.00 0.00 H new ATOM 1031 N SER A 67 6.673 -5.966 -9.912 1.00 0.00 N ATOM 1032 CA SER A 67 8.095 -6.084 -9.612 1.00 0.00 C ATOM 1033 C SER A 67 8.425 -5.424 -8.276 1.00 0.00 C ATOM 1034 O SER A 67 9.389 -4.666 -8.167 1.00 0.00 O ATOM 1035 CB SER A 67 8.928 -5.448 -10.727 1.00 0.00 C ATOM 1036 OG SER A 67 8.784 -6.163 -11.942 1.00 0.00 O ATOM 0 H SER A 67 6.188 -6.858 -10.013 1.00 0.00 H new ATOM 0 HA SER A 67 8.340 -7.144 -9.545 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.618 -4.413 -10.872 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.978 -5.429 -10.435 1.00 0.00 H new ATOM 0 HG SER A 67 9.325 -5.736 -12.639 1.00 0.00 H new ATOM 1042 N ILE A 68 7.618 -5.719 -7.263 1.00 0.00 N ATOM 1043 CA ILE A 68 7.824 -5.157 -5.934 1.00 0.00 C ATOM 1044 C ILE A 68 8.086 -6.253 -4.907 1.00 0.00 C ATOM 1045 O ILE A 68 7.170 -6.967 -4.498 1.00 0.00 O ATOM 1046 CB ILE A 68 6.610 -4.324 -5.481 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.349 -3.184 -6.468 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.836 -3.777 -4.079 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.976 -2.565 -6.326 1.00 0.00 C ATOM 0 H ILE A 68 6.815 -6.344 -7.337 1.00 0.00 H new ATOM 0 HA ILE A 68 8.697 -4.507 -5.998 1.00 0.00 H new ATOM 0 HB ILE A 68 5.732 -4.970 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.104 -2.411 -6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.466 -3.560 -7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.970 -3.191 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.978 -4.605 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.723 -3.143 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.861 -1.764 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.214 -3.326 -6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.862 -2.158 -5.321 1.00 0.00 H new ATOM 1061 N GLY A 69 9.343 -6.381 -4.493 1.00 0.00 N ATOM 1062 CA GLY A 69 9.703 -7.391 -3.516 1.00 0.00 C ATOM 1063 C GLY A 69 9.526 -6.908 -2.090 1.00 0.00 C ATOM 1064 O GLY A 69 8.788 -5.960 -1.820 1.00 0.00 O ATOM 0 H GLY A 69 10.118 -5.803 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.091 -8.279 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.741 -7.687 -3.670 1.00 0.00 H new ATOM 1068 N PRO A 70 10.214 -7.569 -1.147 1.00 0.00 N ATOM 1069 CA PRO A 70 10.145 -7.220 0.275 1.00 0.00 C ATOM 1070 C PRO A 70 10.821 -5.887 0.578 1.00 0.00 C ATOM 1071 O PRO A 70 11.318 -5.214 -0.324 1.00 0.00 O ATOM 1072 CB PRO A 70 10.893 -8.367 0.959 1.00 0.00 C ATOM 1073 CG PRO A 70 11.821 -8.888 -0.083 1.00 0.00 C ATOM 1074 CD PRO A 70 11.112 -8.709 -1.397 1.00 0.00 C ATOM 0 HA PRO A 70 9.117 -7.101 0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.438 -8.017 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.205 -9.141 1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.765 -8.344 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.056 -9.938 0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.812 -8.500 -2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.557 -9.604 -1.679 1.00 0.00 H new ATOM 1082 N ASN A 71 10.836 -5.513 1.853 1.00 0.00 N ATOM 1083 CA ASN A 71 11.452 -4.260 2.274 1.00 0.00 C ATOM 1084 C ASN A 71 11.183 -3.153 1.260 1.00 0.00 C ATOM 1085 O ASN A 71 12.065 -2.351 0.951 1.00 0.00 O ATOM 1086 CB ASN A 71 12.960 -4.444 2.456 1.00 0.00 C ATOM 1087 CG ASN A 71 13.293 -5.400 3.586 1.00 0.00 C ATOM 1088 OD1 ASN A 71 13.278 -5.023 4.758 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.598 -6.645 3.238 1.00 0.00 N ATOM 0 H ASN A 71 10.429 -6.059 2.612 1.00 0.00 H new ATOM 0 HA ASN A 71 11.010 -3.970 3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.392 -4.818 1.528 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.420 -3.476 2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.832 -7.332 3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.598 -6.914 2.254 1.00 0.00 H new ATOM 1096 N SER A 72 9.958 -3.116 0.744 1.00 0.00 N ATOM 1097 CA SER A 72 9.573 -2.109 -0.239 1.00 0.00 C ATOM 1098 C SER A 72 8.759 -0.996 0.414 1.00 0.00 C ATOM 1099 O SER A 72 7.874 -1.255 1.231 1.00 0.00 O ATOM 1100 CB SER A 72 8.766 -2.752 -1.368 1.00 0.00 C ATOM 1101 OG SER A 72 9.620 -3.290 -2.363 1.00 0.00 O ATOM 0 H SER A 72 9.216 -3.771 0.990 1.00 0.00 H new ATOM 0 HA SER A 72 10.482 -1.674 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.132 -3.541 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.104 -2.010 -1.815 1.00 0.00 H new ATOM 0 HG SER A 72 9.523 -4.265 -2.385 1.00 0.00 H new ATOM 1107 N LYS A 73 9.064 0.244 0.048 1.00 0.00 N ATOM 1108 CA LYS A 73 8.361 1.398 0.595 1.00 0.00 C ATOM 1109 C LYS A 73 7.331 1.929 -0.397 1.00 0.00 C ATOM 1110 O LYS A 73 7.675 2.332 -1.509 1.00 0.00 O ATOM 1111 CB LYS A 73 9.357 2.504 0.953 1.00 0.00 C ATOM 1112 CG LYS A 73 8.864 3.436 2.046 1.00 0.00 C ATOM 1113 CD LYS A 73 9.530 4.799 1.960 1.00 0.00 C ATOM 1114 CE LYS A 73 9.581 5.481 3.319 1.00 0.00 C ATOM 1115 NZ LYS A 73 10.695 4.962 4.159 1.00 0.00 N ATOM 0 H LYS A 73 9.794 0.476 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 73 7.839 1.080 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.294 2.048 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.574 3.089 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.783 3.553 1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.065 2.993 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.542 4.687 1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.985 5.428 1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.700 6.556 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.634 5.329 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.695 5.452 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.568 3.941 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.601 5.130 3.677 1.00 0.00 H new ATOM 1129 N LEU A 74 6.067 1.926 0.012 1.00 0.00 N ATOM 1130 CA LEU A 74 4.986 2.409 -0.840 1.00 0.00 C ATOM 1131 C LEU A 74 4.651 3.863 -0.524 1.00 0.00 C ATOM 1132 O LEU A 74 4.736 4.294 0.625 1.00 0.00 O ATOM 1133 CB LEU A 74 3.742 1.537 -0.662 1.00 0.00 C ATOM 1134 CG LEU A 74 3.628 0.331 -1.595 1.00 0.00 C ATOM 1135 CD1 LEU A 74 2.778 -0.758 -0.958 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.045 0.748 -2.937 1.00 0.00 C ATOM 0 H LEU A 74 5.766 1.594 0.928 1.00 0.00 H new ATOM 0 HA LEU A 74 5.319 2.350 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.719 1.178 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.861 2.163 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 74 4.628 -0.069 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.708 -1.608 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.237 -1.077 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.779 -0.370 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.971 -0.123 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.053 1.173 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.693 1.493 -3.399 1.00 0.00 H new ATOM 1148 N ASN A 75 4.269 4.614 -1.553 1.00 0.00 N ATOM 1149 CA ASN A 75 3.920 6.019 -1.384 1.00 0.00 C ATOM 1150 C ASN A 75 2.407 6.198 -1.306 1.00 0.00 C ATOM 1151 O ASN A 75 1.667 5.701 -2.155 1.00 0.00 O ATOM 1152 CB ASN A 75 4.483 6.848 -2.541 1.00 0.00 C ATOM 1153 CG ASN A 75 5.914 7.286 -2.295 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.697 6.568 -1.673 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.262 8.471 -2.784 1.00 0.00 N ATOM 0 H ASN A 75 4.194 4.273 -2.511 1.00 0.00 H new ATOM 0 HA ASN A 75 4.358 6.367 -0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.438 6.263 -3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.857 7.728 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.211 8.819 -2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.580 9.033 -3.293 1.00 0.00 H new ATOM 1162 N LEU A 76 1.954 6.912 -0.281 1.00 0.00 N ATOM 1163 CA LEU A 76 0.529 7.158 -0.090 1.00 0.00 C ATOM 1164 C LEU A 76 0.143 8.545 -0.594 1.00 0.00 C ATOM 1165 O LEU A 76 0.903 9.503 -0.450 1.00 0.00 O ATOM 1166 CB LEU A 76 0.160 7.019 1.388 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.325 6.822 1.694 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.847 5.563 1.019 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.557 6.759 3.196 1.00 0.00 C ATOM 0 H LEU A 76 2.553 7.331 0.431 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.022 6.416 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.711 6.174 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.503 7.911 1.913 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.874 7.676 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.905 5.439 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.717 5.648 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.293 4.698 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.620 6.619 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.996 5.924 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.222 7.689 3.655 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.044 8.646 -1.184 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.532 9.917 -1.706 1.00 0.00 C ATOM 1183 C VAL A 77 -2.981 10.158 -1.298 1.00 0.00 C ATOM 1184 O VAL A 77 -3.778 9.224 -1.214 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.427 9.970 -3.242 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.547 11.404 -3.736 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.121 9.345 -3.708 1.00 0.00 C ATOM 0 H VAL A 77 -1.685 7.863 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.903 10.698 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.250 9.395 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.471 11.422 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.511 11.814 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.746 12.005 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.063 9.391 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.718 9.891 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.080 8.304 -3.386 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.317 11.419 -1.046 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.671 11.785 -0.648 1.00 0.00 C ATOM 1199 C VAL A 78 -5.412 12.473 -1.789 1.00 0.00 C ATOM 1200 O VAL A 78 -4.866 13.350 -2.459 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.663 12.715 0.580 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -4.128 14.089 0.206 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -6.059 12.822 1.175 1.00 0.00 C ATOM 0 H VAL A 78 -2.670 12.205 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.186 10.860 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.002 12.287 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.130 14.732 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.110 13.993 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.760 14.528 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.035 13.483 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.743 13.227 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.401 11.833 1.482 1.00 0.00 H new ATOM 1213 N LYS A 79 -6.660 12.071 -2.004 1.00 0.00 N ATOM 1214 CA LYS A 79 -7.478 12.649 -3.063 1.00 0.00 C ATOM 1215 C LYS A 79 -8.319 13.805 -2.531 1.00 0.00 C ATOM 1216 O LYS A 79 -8.759 13.806 -1.381 1.00 0.00 O ATOM 1217 CB LYS A 79 -8.389 11.581 -3.673 1.00 0.00 C ATOM 1218 CG LYS A 79 -9.667 11.350 -2.886 1.00 0.00 C ATOM 1219 CD LYS A 79 -10.632 10.451 -3.640 1.00 0.00 C ATOM 1220 CE LYS A 79 -11.908 10.213 -2.847 1.00 0.00 C ATOM 1221 NZ LYS A 79 -13.067 9.922 -3.736 1.00 0.00 N ATOM 0 H LYS A 79 -7.127 11.347 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.811 13.033 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.647 11.874 -4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.839 10.642 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.426 10.900 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.146 12.307 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.878 10.904 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.151 9.496 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.759 9.380 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.127 11.091 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.917 9.766 -3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.226 10.727 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.868 9.069 -4.297 1.00 0.00 H new ATOM 1235 N PRO A 80 -8.549 14.814 -3.385 1.00 0.00 N ATOM 1236 CA PRO A 80 -9.340 15.993 -3.023 1.00 0.00 C ATOM 1237 C PRO A 80 -10.821 15.669 -2.854 1.00 0.00 C ATOM 1238 O PRO A 80 -11.453 15.118 -3.756 1.00 0.00 O ATOM 1239 CB PRO A 80 -9.132 16.938 -4.209 1.00 0.00 C ATOM 1240 CG PRO A 80 -8.808 16.042 -5.355 1.00 0.00 C ATOM 1241 CD PRO A 80 -8.055 14.879 -4.771 1.00 0.00 C ATOM 0 HA PRO A 80 -9.030 16.413 -2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.027 17.527 -4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.323 17.643 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.716 15.707 -5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.206 16.563 -6.099 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -8.258 13.956 -5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.977 15.039 -4.806 1.00 0.00 H new ATOM 1249 N LEU A 81 -11.368 16.014 -1.694 1.00 0.00 N ATOM 1250 CA LEU A 81 -12.776 15.760 -1.406 1.00 0.00 C ATOM 1251 C LEU A 81 -13.675 16.554 -2.347 1.00 0.00 C ATOM 1252 O LEU A 81 -14.124 17.651 -2.014 1.00 0.00 O ATOM 1253 CB LEU A 81 -13.093 16.119 0.046 1.00 0.00 C ATOM 1254 CG LEU A 81 -14.219 15.321 0.705 1.00 0.00 C ATOM 1255 CD1 LEU A 81 -14.205 15.522 2.212 1.00 0.00 C ATOM 1256 CD2 LEU A 81 -15.567 15.721 0.124 1.00 0.00 C ATOM 0 H LEU A 81 -10.859 16.470 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.968 14.698 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.187 15.987 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.351 17.177 0.089 1.00 0.00 H new ATOM 0 HG LEU A 81 -14.057 14.263 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.013 14.947 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.250 15.185 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.342 16.579 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.356 15.143 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.738 16.783 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -15.574 15.524 -0.948 1.00 0.00 H new TER 1268 LEU A 81