USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 11 GLN : amide:sc= -0.304 K(o=-1.8,f=-4.6) USER MOD Set 1.2: A 13 GLN : amide:sc= -1.54 K(o=-1.8,f=-7.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 154:sc= 0.327 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 30:sc= -1.96 USER MOD Single : A 12 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.1!) USER MOD Single : A 14 THR OG1 : rot 58:sc= 0.698 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -142:sc= -10.7! (180deg=-14.2!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -1.97! (180deg=-2.26) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -2.18 (180deg=-3.93!) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.261) USER MOD Single : A 46 GLN : amide:sc= -6.41 K(o=-6.4,f=-8.3!) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.0131 (180deg=-0.203) USER MOD Single : A 50 TYR OH : rot 121:sc= 0.202 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.348 USER MOD Single : A 64 TYR OH : rot 115:sc= 1.32 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.01 K(o=-1,f=-0.11) USER MOD Single : A 75 MET CE :methyl 153:sc=-0.00647 (180deg=-0.511) USER MOD Single : A 77 THR OG1 : rot 41:sc= 0.187 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.185 6.450 1.123 1.00 0.00 N ATOM 2 CA MET A 1 48.233 7.221 -0.115 1.00 0.00 C ATOM 3 C MET A 1 49.650 7.743 -0.383 1.00 0.00 C ATOM 4 O MET A 1 49.890 8.941 -0.480 1.00 0.00 O ATOM 5 CB MET A 1 47.229 8.386 -0.064 1.00 0.00 C ATOM 6 CG MET A 1 46.893 8.984 -1.441 1.00 0.00 C ATOM 7 SD MET A 1 47.911 10.416 -1.865 1.00 0.00 S ATOM 8 CE MET A 1 48.693 9.795 -3.365 1.00 0.00 C ATOM 0 H1 MET A 1 47.216 6.108 1.282 1.00 0.00 H new ATOM 0 H2 MET A 1 48.831 5.638 1.052 1.00 0.00 H new ATOM 0 H3 MET A 1 48.474 7.053 1.919 1.00 0.00 H new ATOM 0 HA MET A 1 47.956 6.560 -0.936 1.00 0.00 H new ATOM 0 HB2 MET A 1 46.308 8.038 0.404 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.633 9.173 0.573 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.022 8.216 -2.204 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.843 9.276 -1.456 1.00 0.00 H new ATOM 0 HE1 MET A 1 49.362 10.555 -3.768 1.00 0.00 H new ATOM 0 HE2 MET A 1 49.263 8.896 -3.132 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.927 9.558 -4.103 1.00 0.00 H new ATOM 20 N ALA A 2 50.571 6.767 -0.495 1.00 0.00 N ATOM 21 CA ALA A 2 51.966 7.092 -0.745 1.00 0.00 C ATOM 22 C ALA A 2 52.386 6.546 -2.114 1.00 0.00 C ATOM 23 O ALA A 2 51.654 5.796 -2.752 1.00 0.00 O ATOM 24 CB ALA A 2 52.798 6.491 0.381 1.00 0.00 C ATOM 0 H ALA A 2 50.369 5.770 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 2 52.120 8.171 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 2 53.851 6.720 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.478 6.912 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 2 52.661 5.410 0.398 1.00 0.00 H new ATOM 30 N VAL A 3 53.605 6.971 -2.522 1.00 0.00 N ATOM 31 CA VAL A 3 54.147 6.552 -3.814 1.00 0.00 C ATOM 32 C VAL A 3 54.631 5.087 -3.727 1.00 0.00 C ATOM 33 O VAL A 3 54.314 4.365 -2.790 1.00 0.00 O ATOM 34 CB VAL A 3 55.252 7.532 -4.276 1.00 0.00 C ATOM 35 CG1 VAL A 3 54.849 9.001 -4.055 1.00 0.00 C ATOM 36 CG2 VAL A 3 56.627 7.246 -3.651 1.00 0.00 C ATOM 0 H VAL A 3 54.211 7.589 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 3 53.368 6.586 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 3 55.355 7.361 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 3 55.654 9.654 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.943 9.219 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.664 9.172 -2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 3 57.352 7.971 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 3 56.557 7.323 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 3 56.949 6.241 -3.924 1.00 0.00 H new ATOM 46 N THR A 4 55.428 4.711 -4.755 1.00 0.00 N ATOM 47 CA THR A 4 56.050 3.394 -4.809 1.00 0.00 C ATOM 48 C THR A 4 57.593 3.527 -4.728 1.00 0.00 C ATOM 49 O THR A 4 58.169 4.591 -4.786 1.00 0.00 O ATOM 50 CB THR A 4 55.607 2.689 -6.101 1.00 0.00 C ATOM 51 OG1 THR A 4 54.368 3.196 -6.532 1.00 0.00 O ATOM 52 CG2 THR A 4 55.440 1.179 -5.907 1.00 0.00 C ATOM 0 H THR A 4 55.647 5.310 -5.551 1.00 0.00 H new ATOM 0 HA THR A 4 55.733 2.792 -3.957 1.00 0.00 H new ATOM 0 HB THR A 4 56.389 2.875 -6.837 1.00 0.00 H new ATOM 0 HG1 THR A 4 54.097 2.741 -7.356 1.00 0.00 H new ATOM 0 HG21 THR A 4 55.126 0.724 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 4 56.389 0.745 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 4 54.685 0.992 -5.143 1.00 0.00 H new ATOM 60 N ILE A 5 58.209 2.337 -4.597 1.00 0.00 N ATOM 61 CA ILE A 5 59.657 2.235 -4.469 1.00 0.00 C ATOM 62 C ILE A 5 60.058 0.949 -5.205 1.00 0.00 C ATOM 63 O ILE A 5 59.244 0.130 -5.467 1.00 0.00 O ATOM 64 CB ILE A 5 60.032 2.240 -2.966 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.435 3.663 -2.544 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.148 1.265 -2.636 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.476 3.732 -1.424 1.00 0.00 C ATOM 0 H ILE A 5 57.720 1.442 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 5 60.195 3.074 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 5 59.153 1.914 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 5 60.825 4.188 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.541 4.198 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.368 1.312 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 5 60.837 0.254 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 5 62.041 1.529 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.696 4.775 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 5 61.085 3.240 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.389 3.230 -1.744 1.00 0.00 H new ATOM 79 N THR A 6 61.386 0.860 -5.503 1.00 0.00 N ATOM 80 CA THR A 6 61.933 -0.361 -6.095 1.00 0.00 C ATOM 81 C THR A 6 63.359 -0.503 -5.583 1.00 0.00 C ATOM 82 O THR A 6 64.094 0.442 -5.612 1.00 0.00 O ATOM 83 CB THR A 6 61.925 -0.242 -7.620 1.00 0.00 C ATOM 84 OG1 THR A 6 60.591 -0.233 -8.040 1.00 0.00 O ATOM 85 CG2 THR A 6 62.589 -1.414 -8.355 1.00 0.00 C ATOM 0 H THR A 6 62.066 1.603 -5.343 1.00 0.00 H new ATOM 0 HA THR A 6 61.339 -1.233 -5.823 1.00 0.00 H new ATOM 0 HB THR A 6 62.484 0.663 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.520 0.245 -8.892 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.537 -1.245 -9.431 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.633 -1.491 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 6 62.070 -2.340 -8.108 1.00 0.00 H new ATOM 93 N LEU A 7 63.698 -1.741 -5.117 1.00 0.00 N ATOM 94 CA LEU A 7 65.053 -1.992 -4.637 1.00 0.00 C ATOM 95 C LEU A 7 65.568 -3.308 -5.234 1.00 0.00 C ATOM 96 O LEU A 7 64.821 -4.080 -5.802 1.00 0.00 O ATOM 97 CB LEU A 7 65.127 -2.039 -3.099 1.00 0.00 C ATOM 98 CG LEU A 7 64.355 -0.954 -2.335 1.00 0.00 C ATOM 99 CD1 LEU A 7 64.584 0.454 -2.897 1.00 0.00 C ATOM 100 CD2 LEU A 7 62.871 -1.299 -2.194 1.00 0.00 C ATOM 0 H LEU A 7 63.065 -2.540 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 7 65.683 -1.164 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 7 64.760 -3.012 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 7 66.176 -1.979 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 7 64.770 -0.936 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 7 64.012 1.176 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 7 65.644 0.701 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 7 64.259 0.488 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 7 62.363 -0.505 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 7 62.425 -1.401 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 7 62.766 -2.238 -1.651 1.00 0.00 H new ATOM 112 N LYS A 8 66.901 -3.490 -5.055 1.00 0.00 N ATOM 113 CA LYS A 8 67.582 -4.678 -5.556 1.00 0.00 C ATOM 114 C LYS A 8 68.597 -5.126 -4.513 1.00 0.00 C ATOM 115 O LYS A 8 69.232 -4.313 -3.864 1.00 0.00 O ATOM 116 CB LYS A 8 68.286 -4.352 -6.880 1.00 0.00 C ATOM 117 CG LYS A 8 68.318 -5.541 -7.850 1.00 0.00 C ATOM 118 CD LYS A 8 68.396 -5.108 -9.322 1.00 0.00 C ATOM 119 CE LYS A 8 69.794 -5.235 -9.926 1.00 0.00 C ATOM 120 NZ LYS A 8 69.743 -5.336 -11.380 1.00 0.00 N ATOM 0 H LYS A 8 67.507 -2.828 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 8 66.864 -5.478 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.779 -3.514 -7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 8 69.307 -4.031 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.176 -6.172 -7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.425 -6.149 -7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.701 -5.711 -9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 8 68.067 -4.072 -9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 8 70.394 -4.371 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 8 70.289 -6.115 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 70.709 -5.421 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 69.191 -6.175 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 69.293 -4.484 -11.772 1.00 0.00 H new ATOM 134 N THR A 9 68.700 -6.462 -4.399 1.00 0.00 N ATOM 135 CA THR A 9 69.639 -7.069 -3.463 1.00 0.00 C ATOM 136 C THR A 9 70.958 -7.446 -4.112 1.00 0.00 C ATOM 137 O THR A 9 71.829 -8.005 -3.453 1.00 0.00 O ATOM 138 CB THR A 9 69.056 -8.371 -2.973 1.00 0.00 C ATOM 139 OG1 THR A 9 68.596 -9.094 -4.082 1.00 0.00 O ATOM 140 CG2 THR A 9 67.971 -8.133 -1.962 1.00 0.00 C ATOM 0 H THR A 9 68.148 -7.128 -4.940 1.00 0.00 H new ATOM 0 HA THR A 9 69.809 -6.334 -2.676 1.00 0.00 H new ATOM 0 HB THR A 9 69.822 -8.954 -2.462 1.00 0.00 H new ATOM 0 HG1 THR A 9 69.140 -8.872 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 9 67.570 -9.089 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 9 68.381 -7.593 -1.109 1.00 0.00 H new ATOM 0 HG23 THR A 9 67.174 -7.544 -2.416 1.00 0.00 H new ATOM 148 N LEU A 10 71.061 -7.135 -5.418 1.00 0.00 N ATOM 149 CA LEU A 10 72.314 -7.261 -6.158 1.00 0.00 C ATOM 150 C LEU A 10 72.497 -8.684 -6.681 1.00 0.00 C ATOM 151 O LEU A 10 73.033 -8.903 -7.763 1.00 0.00 O ATOM 152 CB LEU A 10 73.572 -6.773 -5.386 1.00 0.00 C ATOM 153 CG LEU A 10 73.345 -5.622 -4.386 1.00 0.00 C ATOM 154 CD1 LEU A 10 74.645 -4.906 -3.996 1.00 0.00 C ATOM 155 CD2 LEU A 10 72.268 -4.640 -4.860 1.00 0.00 C ATOM 0 H LEU A 10 70.281 -6.793 -5.979 1.00 0.00 H new ATOM 0 HA LEU A 10 72.223 -6.580 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 10 73.994 -7.620 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 10 74.319 -6.455 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 10 72.968 -6.088 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.422 -4.106 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.328 -5.618 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.110 -4.485 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 10 72.146 -3.849 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 10 72.568 -4.203 -5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 10 71.323 -5.169 -4.984 1.00 0.00 H new ATOM 167 N GLN A 11 72.013 -9.628 -5.850 1.00 0.00 N ATOM 168 CA GLN A 11 72.101 -11.033 -6.167 1.00 0.00 C ATOM 169 C GLN A 11 71.000 -11.438 -7.151 1.00 0.00 C ATOM 170 O GLN A 11 71.199 -12.385 -7.901 1.00 0.00 O ATOM 171 CB GLN A 11 72.083 -11.863 -4.872 1.00 0.00 C ATOM 172 CG GLN A 11 70.744 -11.845 -4.108 1.00 0.00 C ATOM 173 CD GLN A 11 70.945 -11.896 -2.588 1.00 0.00 C ATOM 174 OE1 GLN A 11 70.661 -12.889 -1.932 1.00 0.00 O ATOM 175 NE2 GLN A 11 71.439 -10.755 -2.081 1.00 0.00 N ATOM 0 H GLN A 11 71.560 -9.425 -4.959 1.00 0.00 H new ATOM 0 HA GLN A 11 73.048 -11.236 -6.668 1.00 0.00 H new ATOM 0 HB2 GLN A 11 72.331 -12.896 -5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 11 72.867 -11.494 -4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 11 70.190 -10.943 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 11 70.137 -12.694 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 11 71.650 -9.971 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 11 71.604 -10.672 -1.078 1.00 0.00 H new ATOM 184 N GLN A 12 69.854 -10.694 -7.109 1.00 0.00 N ATOM 185 CA GLN A 12 68.685 -11.009 -7.945 1.00 0.00 C ATOM 186 C GLN A 12 67.368 -10.445 -7.388 1.00 0.00 C ATOM 187 O GLN A 12 66.508 -10.049 -8.166 1.00 0.00 O ATOM 188 CB GLN A 12 68.467 -12.520 -8.172 1.00 0.00 C ATOM 189 CG GLN A 12 68.617 -13.353 -6.879 1.00 0.00 C ATOM 190 CD GLN A 12 67.337 -14.059 -6.433 1.00 0.00 C ATOM 191 OE1 GLN A 12 66.327 -14.093 -7.125 1.00 0.00 O ATOM 192 NE2 GLN A 12 67.459 -14.611 -5.213 1.00 0.00 N ATOM 0 H GLN A 12 69.729 -9.881 -6.506 1.00 0.00 H new ATOM 0 HA GLN A 12 68.931 -10.528 -8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 12 67.472 -12.680 -8.587 1.00 0.00 H new ATOM 0 HB3 GLN A 12 69.182 -12.877 -8.913 1.00 0.00 H new ATOM 0 HG2 GLN A 12 69.396 -14.100 -7.031 1.00 0.00 H new ATOM 0 HG3 GLN A 12 68.955 -12.698 -6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 12 68.340 -14.535 -4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 12 66.671 -15.106 -4.796 1.00 0.00 H new ATOM 201 N GLN A 13 67.222 -10.463 -6.044 1.00 0.00 N ATOM 202 CA GLN A 13 65.961 -10.072 -5.405 1.00 0.00 C ATOM 203 C GLN A 13 65.618 -8.593 -5.683 1.00 0.00 C ATOM 204 O GLN A 13 66.071 -7.689 -4.990 1.00 0.00 O ATOM 205 CB GLN A 13 66.001 -10.310 -3.886 1.00 0.00 C ATOM 206 CG GLN A 13 66.864 -11.516 -3.473 1.00 0.00 C ATOM 207 CD GLN A 13 66.596 -11.893 -2.021 1.00 0.00 C ATOM 208 OE1 GLN A 13 65.483 -11.745 -1.531 1.00 0.00 O ATOM 209 NE2 GLN A 13 67.675 -12.373 -1.374 1.00 0.00 N ATOM 0 H GLN A 13 67.957 -10.742 -5.394 1.00 0.00 H new ATOM 0 HA GLN A 13 65.184 -10.701 -5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 13 66.385 -9.415 -3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 13 64.984 -10.461 -3.523 1.00 0.00 H new ATOM 0 HG2 GLN A 13 66.647 -12.365 -4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 13 67.919 -11.277 -3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 13 68.565 -12.462 -1.864 1.00 0.00 H new ATOM 0 HE22 GLN A 13 67.602 -12.647 -0.394 1.00 0.00 H new ATOM 218 N THR A 14 64.789 -8.423 -6.734 1.00 0.00 N ATOM 219 CA THR A 14 64.380 -7.102 -7.190 1.00 0.00 C ATOM 220 C THR A 14 62.874 -6.973 -6.961 1.00 0.00 C ATOM 221 O THR A 14 62.073 -7.650 -7.589 1.00 0.00 O ATOM 222 CB THR A 14 64.718 -6.902 -8.681 1.00 0.00 C ATOM 223 OG1 THR A 14 65.822 -7.685 -9.049 1.00 0.00 O ATOM 224 CG2 THR A 14 65.050 -5.443 -9.014 1.00 0.00 C ATOM 0 H THR A 14 64.396 -9.193 -7.276 1.00 0.00 H new ATOM 0 HA THR A 14 64.917 -6.335 -6.632 1.00 0.00 H new ATOM 0 HB THR A 14 63.828 -7.201 -9.234 1.00 0.00 H new ATOM 0 HG1 THR A 14 65.630 -8.628 -8.864 1.00 0.00 H new ATOM 0 HG21 THR A 14 65.281 -5.356 -10.076 1.00 0.00 H new ATOM 0 HG22 THR A 14 64.194 -4.812 -8.775 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.912 -5.123 -8.428 1.00 0.00 H new ATOM 232 N PHE A 15 62.554 -6.067 -6.019 1.00 0.00 N ATOM 233 CA PHE A 15 61.171 -5.852 -5.619 1.00 0.00 C ATOM 234 C PHE A 15 60.895 -4.348 -5.560 1.00 0.00 C ATOM 235 O PHE A 15 61.659 -3.541 -6.045 1.00 0.00 O ATOM 236 CB PHE A 15 60.942 -6.560 -4.283 1.00 0.00 C ATOM 237 CG PHE A 15 62.118 -6.445 -3.346 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.411 -5.245 -2.708 1.00 0.00 C ATOM 239 CD2 PHE A 15 62.903 -7.566 -3.079 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.459 -5.182 -1.800 1.00 0.00 C ATOM 241 CE2 PHE A 15 63.934 -7.505 -2.158 1.00 0.00 C ATOM 242 CZ PHE A 15 64.202 -6.312 -1.508 1.00 0.00 C ATOM 0 H PHE A 15 63.233 -5.483 -5.531 1.00 0.00 H new ATOM 0 HA PHE A 15 60.470 -6.273 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.059 -6.140 -3.802 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.733 -7.614 -4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 15 61.824 -4.363 -2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 15 62.704 -8.493 -3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 15 63.696 -4.245 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.526 -8.383 -1.947 1.00 0.00 H new ATOM 0 HZ PHE A 15 64.992 -6.264 -0.773 1.00 0.00 H new ATOM 252 N LYS A 16 59.728 -4.065 -4.935 1.00 0.00 N ATOM 253 CA LYS A 16 59.202 -2.720 -4.800 1.00 0.00 C ATOM 254 C LYS A 16 58.273 -2.667 -3.583 1.00 0.00 C ATOM 255 O LYS A 16 57.709 -3.662 -3.168 1.00 0.00 O ATOM 256 CB LYS A 16 58.434 -2.326 -6.078 1.00 0.00 C ATOM 257 CG LYS A 16 57.566 -3.441 -6.662 1.00 0.00 C ATOM 258 CD LYS A 16 56.126 -2.994 -6.937 1.00 0.00 C ATOM 259 CE LYS A 16 55.150 -4.152 -6.725 1.00 0.00 C ATOM 260 NZ LYS A 16 54.035 -4.119 -7.653 1.00 0.00 N ATOM 0 H LYS A 16 59.135 -4.780 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 16 60.022 -2.016 -4.659 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.800 -1.467 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.151 -2.006 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 16 58.015 -3.795 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 16 57.554 -4.284 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 16 55.865 -2.166 -6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 16 56.044 -2.625 -7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 16 55.683 -5.096 -6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 16 54.769 -4.119 -5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.404 -4.925 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 53.508 -3.231 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 54.393 -4.178 -8.628 1.00 0.00 H new ATOM 274 N ILE A 17 58.180 -1.422 -3.043 1.00 0.00 N ATOM 275 CA ILE A 17 57.398 -1.195 -1.831 1.00 0.00 C ATOM 276 C ILE A 17 56.495 0.031 -2.025 1.00 0.00 C ATOM 277 O ILE A 17 56.755 0.882 -2.851 1.00 0.00 O ATOM 278 CB ILE A 17 58.342 -0.979 -0.643 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.480 -2.021 -0.611 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.544 -0.984 0.658 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.049 -3.460 -0.295 1.00 0.00 C ATOM 0 H ILE A 17 58.629 -0.591 -3.427 1.00 0.00 H new ATOM 0 HA ILE A 17 56.773 -2.065 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 17 58.819 -0.006 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 17 59.982 -2.015 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.214 -1.709 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.219 -0.830 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 17 56.805 -0.183 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 17 57.037 -1.942 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 17 59.924 -4.111 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.576 -3.491 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.341 -3.802 -1.050 1.00 0.00 H new ATOM 293 N ARG A 18 55.423 0.059 -1.201 1.00 0.00 N ATOM 294 CA ARG A 18 54.470 1.159 -1.223 1.00 0.00 C ATOM 295 C ARG A 18 54.664 2.082 -0.003 1.00 0.00 C ATOM 296 O ARG A 18 53.856 2.106 0.918 1.00 0.00 O ATOM 297 CB ARG A 18 53.062 0.565 -1.191 1.00 0.00 C ATOM 298 CG ARG A 18 51.989 1.590 -1.583 1.00 0.00 C ATOM 299 CD ARG A 18 50.858 1.658 -0.557 1.00 0.00 C ATOM 300 NE ARG A 18 49.652 2.175 -1.185 1.00 0.00 N ATOM 301 CZ ARG A 18 48.581 2.560 -0.459 1.00 0.00 C ATOM 302 NH1 ARG A 18 48.605 2.524 0.872 1.00 0.00 N ATOM 303 NH2 ARG A 18 47.486 2.975 -1.085 1.00 0.00 N ATOM 0 H ARG A 18 55.209 -0.670 -0.521 1.00 0.00 H new ATOM 0 HA ARG A 18 54.623 1.753 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 18 53.014 -0.286 -1.870 1.00 0.00 H new ATOM 0 HB3 ARG A 18 52.852 0.187 -0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.447 2.574 -1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.578 1.329 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 18 50.668 0.667 -0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 18 51.148 2.299 0.276 1.00 0.00 H new ATOM 0 HE ARG A 18 49.615 2.249 -2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 18 49.442 2.202 1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 18 47.787 2.819 1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 18 47.460 3.001 -2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 18 46.671 3.268 -0.547 1.00 0.00 H new ATOM 317 N MET A 19 55.770 2.845 -0.065 1.00 0.00 N ATOM 318 CA MET A 19 56.093 3.792 1.000 1.00 0.00 C ATOM 319 C MET A 19 55.939 5.230 0.482 1.00 0.00 C ATOM 320 O MET A 19 55.581 5.450 -0.661 1.00 0.00 O ATOM 321 CB MET A 19 57.534 3.563 1.414 1.00 0.00 C ATOM 322 CG MET A 19 58.507 3.817 0.253 1.00 0.00 C ATOM 323 SD MET A 19 59.546 5.238 0.615 1.00 0.00 S ATOM 324 CE MET A 19 60.376 4.532 2.040 1.00 0.00 C ATOM 0 H MET A 19 56.442 2.821 -0.832 1.00 0.00 H new ATOM 0 HA MET A 19 55.422 3.646 1.846 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.782 4.221 2.247 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.652 2.540 1.770 1.00 0.00 H new ATOM 0 HG2 MET A 19 59.127 2.936 0.089 1.00 0.00 H new ATOM 0 HG3 MET A 19 57.949 3.990 -0.667 1.00 0.00 H new ATOM 0 HE1 MET A 19 60.521 5.304 2.796 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.767 3.728 2.454 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.345 4.134 1.737 1.00 0.00 H new ATOM 334 N GLU A 20 56.256 6.179 1.406 1.00 0.00 N ATOM 335 CA GLU A 20 56.126 7.606 1.111 1.00 0.00 C ATOM 336 C GLU A 20 57.539 8.235 1.018 1.00 0.00 C ATOM 337 O GLU A 20 58.403 7.910 1.791 1.00 0.00 O ATOM 338 CB GLU A 20 55.275 8.288 2.201 1.00 0.00 C ATOM 339 CG GLU A 20 54.467 9.471 1.640 1.00 0.00 C ATOM 340 CD GLU A 20 53.724 10.250 2.736 1.00 0.00 C ATOM 341 OE1 GLU A 20 52.601 9.880 3.071 1.00 0.00 O ATOM 342 OE2 GLU A 20 54.269 11.232 3.235 1.00 0.00 O ATOM 0 H GLU A 20 56.597 5.971 2.344 1.00 0.00 H new ATOM 0 HA GLU A 20 55.621 7.749 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.594 7.559 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 20 55.925 8.639 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 20 55.139 10.147 1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 20 53.747 9.101 0.910 1.00 0.00 H new ATOM 349 N PRO A 21 57.725 9.178 0.021 1.00 0.00 N ATOM 350 CA PRO A 21 59.008 9.871 -0.122 1.00 0.00 C ATOM 351 C PRO A 21 59.385 10.798 1.043 1.00 0.00 C ATOM 352 O PRO A 21 60.483 11.342 1.080 1.00 0.00 O ATOM 353 CB PRO A 21 58.847 10.728 -1.394 1.00 0.00 C ATOM 354 CG PRO A 21 57.643 10.145 -2.116 1.00 0.00 C ATOM 355 CD PRO A 21 56.774 9.564 -1.009 1.00 0.00 C ATOM 0 HA PRO A 21 59.804 9.127 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 21 58.687 11.777 -1.145 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.741 10.681 -2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.109 10.911 -2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 21 57.942 9.377 -2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.059 10.298 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.198 8.708 -1.361 1.00 0.00 H new ATOM 363 N ASP A 22 58.428 10.954 1.979 1.00 0.00 N ATOM 364 CA ASP A 22 58.630 11.823 3.132 1.00 0.00 C ATOM 365 C ASP A 22 59.095 11.025 4.358 1.00 0.00 C ATOM 366 O ASP A 22 59.736 11.580 5.246 1.00 0.00 O ATOM 367 CB ASP A 22 57.324 12.542 3.473 1.00 0.00 C ATOM 368 CG ASP A 22 56.924 13.541 2.371 1.00 0.00 C ATOM 369 OD1 ASP A 22 56.253 13.141 1.420 1.00 0.00 O ATOM 370 OD2 ASP A 22 57.288 14.712 2.482 1.00 0.00 O ATOM 0 H ASP A 22 57.520 10.490 1.951 1.00 0.00 H new ATOM 0 HA ASP A 22 59.403 12.547 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.528 11.809 3.607 1.00 0.00 H new ATOM 0 HB3 ASP A 22 57.435 13.069 4.421 1.00 0.00 H new ATOM 375 N GLU A 23 58.757 9.712 4.368 1.00 0.00 N ATOM 376 CA GLU A 23 59.181 8.842 5.464 1.00 0.00 C ATOM 377 C GLU A 23 60.709 8.785 5.533 1.00 0.00 C ATOM 378 O GLU A 23 61.407 9.100 4.577 1.00 0.00 O ATOM 379 CB GLU A 23 58.615 7.422 5.275 1.00 0.00 C ATOM 380 CG GLU A 23 57.241 7.242 5.942 1.00 0.00 C ATOM 381 CD GLU A 23 57.326 6.996 7.465 1.00 0.00 C ATOM 382 OE1 GLU A 23 58.420 7.027 8.033 1.00 0.00 O ATOM 383 OE2 GLU A 23 56.280 6.767 8.072 1.00 0.00 O ATOM 0 H GLU A 23 58.206 9.252 3.643 1.00 0.00 H new ATOM 0 HA GLU A 23 58.796 9.253 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 23 58.529 7.207 4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 23 59.315 6.697 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 23 56.637 8.130 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.725 6.403 5.474 1.00 0.00 H new ATOM 390 N THR A 24 61.163 8.366 6.732 1.00 0.00 N ATOM 391 CA THR A 24 62.591 8.274 6.992 1.00 0.00 C ATOM 392 C THR A 24 63.173 6.935 6.540 1.00 0.00 C ATOM 393 O THR A 24 64.236 6.560 7.017 1.00 0.00 O ATOM 394 CB THR A 24 62.929 8.584 8.466 1.00 0.00 C ATOM 395 OG1 THR A 24 61.801 8.442 9.290 1.00 0.00 O ATOM 396 CG2 THR A 24 63.500 9.994 8.626 1.00 0.00 C ATOM 0 H THR A 24 60.566 8.094 7.513 1.00 0.00 H new ATOM 0 HA THR A 24 63.072 9.044 6.388 1.00 0.00 H new ATOM 0 HB THR A 24 63.685 7.862 8.773 1.00 0.00 H new ATOM 0 HG1 THR A 24 62.046 8.643 10.217 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.726 10.178 9.676 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.412 10.086 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.769 10.724 8.279 1.00 0.00 H new ATOM 404 N VAL A 25 62.498 6.235 5.606 1.00 0.00 N ATOM 405 CA VAL A 25 63.021 4.964 5.091 1.00 0.00 C ATOM 406 C VAL A 25 62.779 3.827 6.102 1.00 0.00 C ATOM 407 O VAL A 25 62.651 2.684 5.712 1.00 0.00 O ATOM 408 CB VAL A 25 64.524 5.006 4.686 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.003 3.732 3.969 1.00 0.00 C ATOM 410 CG2 VAL A 25 64.894 6.241 3.848 1.00 0.00 C ATOM 0 H VAL A 25 61.607 6.525 5.202 1.00 0.00 H new ATOM 0 HA VAL A 25 62.466 4.774 4.173 1.00 0.00 H new ATOM 0 HB VAL A 25 65.049 5.072 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.059 3.832 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 25 64.866 2.872 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.424 3.588 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 25 65.955 6.208 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.307 6.247 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.683 7.145 4.419 1.00 0.00 H new ATOM 420 N LYS A 26 62.712 4.151 7.409 1.00 0.00 N ATOM 421 CA LYS A 26 62.494 3.118 8.413 1.00 0.00 C ATOM 422 C LYS A 26 61.289 2.250 8.119 1.00 0.00 C ATOM 423 O LYS A 26 61.330 1.033 8.250 1.00 0.00 O ATOM 424 CB LYS A 26 62.330 3.736 9.794 1.00 0.00 C ATOM 425 CG LYS A 26 61.907 2.738 10.874 1.00 0.00 C ATOM 426 CD LYS A 26 62.181 3.273 12.280 1.00 0.00 C ATOM 427 CE LYS A 26 63.680 3.439 12.560 1.00 0.00 C ATOM 428 NZ LYS A 26 63.967 3.805 13.935 1.00 0.00 N ATOM 0 H LYS A 26 62.804 5.098 7.777 1.00 0.00 H new ATOM 0 HA LYS A 26 63.379 2.482 8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.272 4.198 10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.588 4.533 9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 26 60.845 2.518 10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 26 62.443 1.799 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 26 61.682 4.234 12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 26 61.750 2.593 13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 26 64.193 2.506 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 26 64.085 4.202 11.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 64.995 3.902 14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 63.504 4.709 14.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 63.608 3.066 14.573 1.00 0.00 H new ATOM 442 N VAL A 27 60.229 2.955 7.704 1.00 0.00 N ATOM 443 CA VAL A 27 59.016 2.273 7.312 1.00 0.00 C ATOM 444 C VAL A 27 59.305 1.247 6.211 1.00 0.00 C ATOM 445 O VAL A 27 58.840 0.120 6.274 1.00 0.00 O ATOM 446 CB VAL A 27 57.958 3.323 6.917 1.00 0.00 C ATOM 447 CG1 VAL A 27 57.092 2.880 5.740 1.00 0.00 C ATOM 448 CG2 VAL A 27 57.074 3.658 8.129 1.00 0.00 C ATOM 0 H VAL A 27 60.197 3.972 7.636 1.00 0.00 H new ATOM 0 HA VAL A 27 58.611 1.700 8.146 1.00 0.00 H new ATOM 0 HB VAL A 27 58.497 4.213 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.366 3.660 5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.724 2.702 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.566 1.961 6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.329 4.400 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.571 2.754 8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 27 57.694 4.057 8.932 1.00 0.00 H new ATOM 458 N LEU A 28 60.105 1.689 5.228 1.00 0.00 N ATOM 459 CA LEU A 28 60.478 0.823 4.121 1.00 0.00 C ATOM 460 C LEU A 28 61.155 -0.447 4.584 1.00 0.00 C ATOM 461 O LEU A 28 60.930 -1.526 4.052 1.00 0.00 O ATOM 462 CB LEU A 28 61.485 1.551 3.244 1.00 0.00 C ATOM 463 CG LEU A 28 61.905 0.796 2.006 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.720 0.521 1.114 1.00 0.00 C ATOM 465 CD2 LEU A 28 63.021 1.500 1.250 1.00 0.00 C ATOM 0 H LEU A 28 60.497 2.630 5.185 1.00 0.00 H new ATOM 0 HA LEU A 28 59.559 0.571 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.059 2.508 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.372 1.770 3.838 1.00 0.00 H new ATOM 0 HG LEU A 28 62.309 -0.161 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 28 61.049 -0.024 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 28 59.987 -0.077 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.266 1.464 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.287 0.917 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.684 2.490 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.893 1.598 1.897 1.00 0.00 H new ATOM 477 N LYS A 29 62.005 -0.240 5.597 1.00 0.00 N ATOM 478 CA LYS A 29 62.710 -1.348 6.184 1.00 0.00 C ATOM 479 C LYS A 29 61.698 -2.396 6.659 1.00 0.00 C ATOM 480 O LYS A 29 61.883 -3.581 6.450 1.00 0.00 O ATOM 481 CB LYS A 29 63.568 -0.836 7.334 1.00 0.00 C ATOM 482 CG LYS A 29 64.474 0.345 6.987 1.00 0.00 C ATOM 483 CD LYS A 29 65.894 -0.091 6.738 1.00 0.00 C ATOM 484 CE LYS A 29 66.880 1.063 6.601 1.00 0.00 C ATOM 485 NZ LYS A 29 67.983 0.982 7.568 1.00 0.00 N ATOM 0 H LYS A 29 62.208 0.671 6.009 1.00 0.00 H new ATOM 0 HA LYS A 29 63.365 -1.819 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.913 -0.543 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.188 -1.655 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.089 0.850 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.454 1.069 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 29 66.215 -0.735 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 29 65.925 -0.692 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.288 1.069 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.351 2.006 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.454 1.907 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 67.608 0.715 8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.669 0.266 7.253 1.00 0.00 H new ATOM 499 N GLU A 30 60.603 -1.889 7.266 1.00 0.00 N ATOM 500 CA GLU A 30 59.554 -2.767 7.770 1.00 0.00 C ATOM 501 C GLU A 30 58.919 -3.614 6.653 1.00 0.00 C ATOM 502 O GLU A 30 58.591 -4.776 6.863 1.00 0.00 O ATOM 503 CB GLU A 30 58.470 -1.959 8.501 1.00 0.00 C ATOM 504 CG GLU A 30 59.057 -1.064 9.602 1.00 0.00 C ATOM 505 CD GLU A 30 57.955 -0.555 10.543 1.00 0.00 C ATOM 506 OE1 GLU A 30 57.365 0.486 10.257 1.00 0.00 O ATOM 507 OE2 GLU A 30 57.699 -1.208 11.555 1.00 0.00 O ATOM 0 H GLU A 30 60.434 -0.894 7.412 1.00 0.00 H new ATOM 0 HA GLU A 30 60.026 -3.451 8.476 1.00 0.00 H new ATOM 0 HB2 GLU A 30 57.932 -1.342 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 30 57.744 -2.643 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 30 59.798 -1.623 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 30 59.574 -0.217 9.150 1.00 0.00 H new ATOM 514 N LYS A 31 58.775 -2.978 5.473 1.00 0.00 N ATOM 515 CA LYS A 31 58.145 -3.626 4.327 1.00 0.00 C ATOM 516 C LYS A 31 59.066 -4.661 3.663 1.00 0.00 C ATOM 517 O LYS A 31 58.705 -5.821 3.535 1.00 0.00 O ATOM 518 CB LYS A 31 57.768 -2.581 3.285 1.00 0.00 C ATOM 519 CG LYS A 31 56.388 -1.946 3.499 1.00 0.00 C ATOM 520 CD LYS A 31 56.266 -1.242 4.843 1.00 0.00 C ATOM 521 CE LYS A 31 55.378 -0.004 4.777 1.00 0.00 C ATOM 522 NZ LYS A 31 55.925 1.001 3.865 1.00 0.00 N ATOM 0 H LYS A 31 59.087 -2.023 5.299 1.00 0.00 H new ATOM 0 HA LYS A 31 57.260 -4.141 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.522 -1.794 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.793 -3.043 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.194 -1.230 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.622 -2.719 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 31 55.860 -1.937 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.259 -0.955 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 31 54.379 -0.289 4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 31 55.276 0.425 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 55.540 1.936 4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 56.961 1.020 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 55.663 0.762 2.887 1.00 0.00 H new ATOM 536 N ILE A 32 60.251 -4.183 3.227 1.00 0.00 N ATOM 537 CA ILE A 32 61.263 -5.042 2.608 1.00 0.00 C ATOM 538 C ILE A 32 61.603 -6.236 3.508 1.00 0.00 C ATOM 539 O ILE A 32 61.759 -7.361 3.049 1.00 0.00 O ATOM 540 CB ILE A 32 62.535 -4.217 2.327 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.302 -3.264 1.164 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.758 -5.077 2.018 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.253 -2.075 1.146 1.00 0.00 C ATOM 0 H ILE A 32 60.524 -3.203 3.296 1.00 0.00 H new ATOM 0 HA ILE A 32 60.861 -5.430 1.672 1.00 0.00 H new ATOM 0 HB ILE A 32 62.742 -3.665 3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 32 62.405 -3.814 0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.277 -2.897 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.617 -4.433 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.970 -5.727 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.561 -5.686 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 32 63.026 -1.441 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.134 -1.500 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.280 -2.432 1.071 1.00 0.00 H new ATOM 555 N GLU A 33 61.716 -5.914 4.805 1.00 0.00 N ATOM 556 CA GLU A 33 62.001 -6.940 5.791 1.00 0.00 C ATOM 557 C GLU A 33 60.799 -7.876 5.963 1.00 0.00 C ATOM 558 O GLU A 33 60.949 -9.060 6.212 1.00 0.00 O ATOM 559 CB GLU A 33 62.349 -6.281 7.128 1.00 0.00 C ATOM 560 CG GLU A 33 63.049 -7.222 8.109 1.00 0.00 C ATOM 561 CD GLU A 33 62.124 -7.880 9.143 1.00 0.00 C ATOM 562 OE1 GLU A 33 60.911 -7.696 9.093 1.00 0.00 O ATOM 563 OE2 GLU A 33 62.637 -8.576 10.008 1.00 0.00 O ATOM 0 H GLU A 33 61.615 -4.971 5.180 1.00 0.00 H new ATOM 0 HA GLU A 33 62.848 -7.533 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.991 -5.419 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.435 -5.905 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.552 -8.005 7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.822 -6.664 8.637 1.00 0.00 H new ATOM 570 N ALA A 34 59.596 -7.297 5.805 1.00 0.00 N ATOM 571 CA ALA A 34 58.383 -8.108 5.857 1.00 0.00 C ATOM 572 C ALA A 34 58.253 -9.029 4.633 1.00 0.00 C ATOM 573 O ALA A 34 57.602 -10.068 4.687 1.00 0.00 O ATOM 574 CB ALA A 34 57.154 -7.200 5.963 1.00 0.00 C ATOM 0 H ALA A 34 59.446 -6.301 5.645 1.00 0.00 H new ATOM 0 HA ALA A 34 58.448 -8.744 6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.252 -7.811 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.223 -6.598 6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 34 57.111 -6.544 5.094 1.00 0.00 H new ATOM 580 N GLU A 35 58.909 -8.600 3.542 1.00 0.00 N ATOM 581 CA GLU A 35 58.893 -9.377 2.320 1.00 0.00 C ATOM 582 C GLU A 35 59.832 -10.581 2.462 1.00 0.00 C ATOM 583 O GLU A 35 59.486 -11.696 2.085 1.00 0.00 O ATOM 584 CB GLU A 35 59.306 -8.465 1.171 1.00 0.00 C ATOM 585 CG GLU A 35 59.661 -9.235 -0.107 1.00 0.00 C ATOM 586 CD GLU A 35 60.499 -8.347 -0.990 1.00 0.00 C ATOM 587 OE1 GLU A 35 61.503 -7.822 -0.507 1.00 0.00 O ATOM 588 OE2 GLU A 35 60.126 -8.200 -2.145 1.00 0.00 O ATOM 0 H GLU A 35 59.444 -7.733 3.493 1.00 0.00 H new ATOM 0 HA GLU A 35 57.896 -9.767 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.494 -7.770 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 35 60.164 -7.868 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 35 60.207 -10.146 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.754 -9.539 -0.629 1.00 0.00 H new ATOM 595 N LYS A 36 61.034 -10.285 2.996 1.00 0.00 N ATOM 596 CA LYS A 36 62.065 -11.305 3.089 1.00 0.00 C ATOM 597 C LYS A 36 62.136 -11.887 4.505 1.00 0.00 C ATOM 598 O LYS A 36 61.845 -13.054 4.728 1.00 0.00 O ATOM 599 CB LYS A 36 63.398 -10.709 2.639 1.00 0.00 C ATOM 600 CG LYS A 36 64.026 -11.478 1.462 1.00 0.00 C ATOM 601 CD LYS A 36 64.056 -12.998 1.632 1.00 0.00 C ATOM 602 CE LYS A 36 65.102 -13.661 0.732 1.00 0.00 C ATOM 603 NZ LYS A 36 65.877 -14.679 1.418 1.00 0.00 N ATOM 0 H LYS A 36 61.299 -9.369 3.357 1.00 0.00 H new ATOM 0 HA LYS A 36 61.820 -12.137 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.247 -9.669 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 36 64.093 -10.708 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 36 63.473 -11.239 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 36 65.046 -11.122 1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 36 64.269 -13.241 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.072 -13.407 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 36 64.603 -14.110 -0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 36 65.777 -12.897 0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 66.313 -15.314 0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 66.621 -14.225 1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 65.253 -15.228 2.042 1.00 0.00 H new ATOM 617 N GLY A 37 62.549 -11.000 5.431 1.00 0.00 N ATOM 618 CA GLY A 37 62.621 -11.353 6.840 1.00 0.00 C ATOM 619 C GLY A 37 63.821 -10.665 7.478 1.00 0.00 C ATOM 620 O GLY A 37 64.588 -9.970 6.825 1.00 0.00 O ATOM 0 H GLY A 37 62.833 -10.044 5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.704 -11.053 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.707 -12.434 6.951 1.00 0.00 H new ATOM 624 N ARG A 38 63.933 -10.923 8.798 1.00 0.00 N ATOM 625 CA ARG A 38 65.014 -10.342 9.592 1.00 0.00 C ATOM 626 C ARG A 38 66.362 -11.020 9.301 1.00 0.00 C ATOM 627 O ARG A 38 67.409 -10.571 9.751 1.00 0.00 O ATOM 628 CB ARG A 38 64.658 -10.449 11.088 1.00 0.00 C ATOM 629 CG ARG A 38 65.016 -9.190 11.899 1.00 0.00 C ATOM 630 CD ARG A 38 64.088 -8.994 13.109 1.00 0.00 C ATOM 631 NE ARG A 38 63.091 -7.967 12.820 1.00 0.00 N ATOM 632 CZ ARG A 38 62.019 -7.750 13.614 1.00 0.00 C ATOM 633 NH1 ARG A 38 61.811 -8.491 14.699 1.00 0.00 N ATOM 634 NH2 ARG A 38 61.159 -6.783 13.306 1.00 0.00 N ATOM 0 H ARG A 38 63.294 -11.521 9.322 1.00 0.00 H new ATOM 0 HA ARG A 38 65.122 -9.293 9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 38 63.590 -10.642 11.186 1.00 0.00 H new ATOM 0 HB3 ARG A 38 65.177 -11.306 11.516 1.00 0.00 H new ATOM 0 HG2 ARG A 38 66.048 -9.263 12.243 1.00 0.00 H new ATOM 0 HG3 ARG A 38 64.957 -8.315 11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 38 63.592 -9.934 13.352 1.00 0.00 H new ATOM 0 HD3 ARG A 38 64.673 -8.707 13.983 1.00 0.00 H new ATOM 0 HE ARG A 38 63.208 -7.391 11.986 1.00 0.00 H new ATOM 0 HH11 ARG A 38 62.465 -9.235 14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 38 60.997 -8.315 15.288 1.00 0.00 H new ATOM 0 HH21 ARG A 38 61.311 -6.211 12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 38 60.348 -6.614 13.901 1.00 0.00 H new ATOM 648 N ASP A 39 66.275 -12.125 8.532 1.00 0.00 N ATOM 649 CA ASP A 39 67.460 -12.882 8.166 1.00 0.00 C ATOM 650 C ASP A 39 68.017 -12.393 6.832 1.00 0.00 C ATOM 651 O ASP A 39 69.226 -12.365 6.624 1.00 0.00 O ATOM 652 CB ASP A 39 67.105 -14.385 8.096 1.00 0.00 C ATOM 653 CG ASP A 39 67.781 -15.235 9.194 1.00 0.00 C ATOM 654 OD1 ASP A 39 68.748 -14.786 9.811 1.00 0.00 O ATOM 655 OD2 ASP A 39 67.330 -16.357 9.418 1.00 0.00 O ATOM 0 H ASP A 39 65.401 -12.499 8.163 1.00 0.00 H new ATOM 0 HA ASP A 39 68.231 -12.734 8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.024 -14.498 8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 39 67.395 -14.772 7.119 1.00 0.00 H new ATOM 660 N ALA A 40 67.078 -12.015 5.946 1.00 0.00 N ATOM 661 CA ALA A 40 67.499 -11.540 4.641 1.00 0.00 C ATOM 662 C ALA A 40 67.922 -10.074 4.751 1.00 0.00 C ATOM 663 O ALA A 40 69.062 -9.727 4.473 1.00 0.00 O ATOM 664 CB ALA A 40 66.379 -11.756 3.632 1.00 0.00 C ATOM 0 H ALA A 40 66.071 -12.031 6.109 1.00 0.00 H new ATOM 0 HA ALA A 40 68.362 -12.103 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.697 -11.399 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.144 -12.819 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.493 -11.206 3.949 1.00 0.00 H new ATOM 670 N PHE A 41 66.931 -9.246 5.162 1.00 0.00 N ATOM 671 CA PHE A 41 67.148 -7.809 5.258 1.00 0.00 C ATOM 672 C PHE A 41 66.510 -7.292 6.574 1.00 0.00 C ATOM 673 O PHE A 41 65.420 -6.795 6.582 1.00 0.00 O ATOM 674 CB PHE A 41 66.537 -7.048 4.065 1.00 0.00 C ATOM 675 CG PHE A 41 66.506 -7.800 2.778 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.670 -8.297 2.212 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.289 -8.005 2.146 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.604 -9.052 1.058 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.228 -8.690 0.956 1.00 0.00 C ATOM 680 CZ PHE A 41 66.378 -9.240 0.439 1.00 0.00 C ATOM 0 H PHE A 41 65.995 -9.555 5.425 1.00 0.00 H new ATOM 0 HA PHE A 41 68.223 -7.630 5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.518 -6.759 4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 41 67.101 -6.127 3.915 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.626 -8.094 2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.382 -7.624 2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.498 -9.492 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.289 -8.795 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.325 -9.829 -0.465 1.00 0.00 H new ATOM 690 N PRO A 42 67.281 -7.426 7.701 1.00 0.00 N ATOM 691 CA PRO A 42 66.829 -6.883 8.981 1.00 0.00 C ATOM 692 C PRO A 42 66.944 -5.364 8.946 1.00 0.00 C ATOM 693 O PRO A 42 68.010 -4.845 8.657 1.00 0.00 O ATOM 694 CB PRO A 42 67.843 -7.425 9.993 1.00 0.00 C ATOM 695 CG PRO A 42 69.102 -7.716 9.169 1.00 0.00 C ATOM 696 CD PRO A 42 68.595 -8.040 7.762 1.00 0.00 C ATOM 0 HA PRO A 42 65.799 -7.150 9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 42 68.044 -6.698 10.779 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.472 -8.327 10.480 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.772 -6.857 9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.662 -8.552 9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.258 -7.635 6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.539 -9.116 7.598 1.00 0.00 H new ATOM 704 N VAL A 43 65.797 -4.694 9.237 1.00 0.00 N ATOM 705 CA VAL A 43 65.692 -3.229 9.238 1.00 0.00 C ATOM 706 C VAL A 43 66.908 -2.492 9.837 1.00 0.00 C ATOM 707 O VAL A 43 67.256 -1.383 9.447 1.00 0.00 O ATOM 708 CB VAL A 43 64.401 -2.783 9.950 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.146 -3.308 9.245 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.355 -3.186 11.423 1.00 0.00 C ATOM 0 H VAL A 43 64.924 -5.165 9.476 1.00 0.00 H new ATOM 0 HA VAL A 43 65.665 -2.944 8.186 1.00 0.00 H new ATOM 0 HB VAL A 43 64.414 -1.694 9.899 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.259 -2.970 9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.118 -2.931 8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.167 -4.398 9.229 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.420 -2.842 11.865 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.418 -4.271 11.505 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.194 -2.733 11.951 1.00 0.00 H new ATOM 720 N ALA A 44 67.534 -3.187 10.799 1.00 0.00 N ATOM 721 CA ALA A 44 68.728 -2.690 11.447 1.00 0.00 C ATOM 722 C ALA A 44 69.844 -2.415 10.418 1.00 0.00 C ATOM 723 O ALA A 44 70.221 -1.270 10.183 1.00 0.00 O ATOM 724 CB ALA A 44 69.148 -3.703 12.524 1.00 0.00 C ATOM 0 H ALA A 44 67.221 -4.097 11.137 1.00 0.00 H new ATOM 0 HA ALA A 44 68.529 -1.732 11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.048 -3.348 13.026 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.345 -3.813 13.253 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.349 -4.667 12.058 1.00 0.00 H new ATOM 730 N GLY A 45 70.330 -3.522 9.819 1.00 0.00 N ATOM 731 CA GLY A 45 71.415 -3.429 8.852 1.00 0.00 C ATOM 732 C GLY A 45 70.926 -3.214 7.416 1.00 0.00 C ATOM 733 O GLY A 45 71.717 -3.275 6.482 1.00 0.00 O ATOM 0 H GLY A 45 69.989 -4.468 9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.073 -2.606 9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.010 -4.342 8.894 1.00 0.00 H new ATOM 737 N GLN A 46 69.602 -2.978 7.277 1.00 0.00 N ATOM 738 CA GLN A 46 69.025 -2.749 5.962 1.00 0.00 C ATOM 739 C GLN A 46 69.526 -1.420 5.383 1.00 0.00 C ATOM 740 O GLN A 46 68.960 -0.380 5.633 1.00 0.00 O ATOM 741 CB GLN A 46 67.505 -2.744 6.037 1.00 0.00 C ATOM 742 CG GLN A 46 66.833 -4.116 5.939 1.00 0.00 C ATOM 743 CD GLN A 46 65.869 -4.146 4.757 1.00 0.00 C ATOM 744 OE1 GLN A 46 66.248 -3.874 3.628 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.620 -4.513 5.082 1.00 0.00 N ATOM 0 H GLN A 46 68.937 -2.944 8.050 1.00 0.00 H new ATOM 0 HA GLN A 46 69.339 -3.561 5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.207 -2.280 6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 46 67.122 -2.114 5.235 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.589 -4.892 5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.295 -4.333 6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.386 -4.723 6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.904 -4.582 4.359 1.00 0.00 H new ATOM 754 N LYS A 47 70.604 -1.499 4.591 1.00 0.00 N ATOM 755 CA LYS A 47 71.145 -0.289 3.982 1.00 0.00 C ATOM 756 C LYS A 47 70.650 -0.230 2.542 1.00 0.00 C ATOM 757 O LYS A 47 70.450 -1.247 1.916 1.00 0.00 O ATOM 758 CB LYS A 47 72.678 -0.315 4.035 1.00 0.00 C ATOM 759 CG LYS A 47 73.237 0.474 5.222 1.00 0.00 C ATOM 760 CD LYS A 47 73.386 -0.391 6.475 1.00 0.00 C ATOM 761 CE LYS A 47 74.724 -1.139 6.488 1.00 0.00 C ATOM 762 NZ LYS A 47 75.831 -0.230 6.763 1.00 0.00 N ATOM 0 H LYS A 47 71.101 -2.361 4.365 1.00 0.00 H new ATOM 0 HA LYS A 47 70.812 0.597 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 73.019 -1.349 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.077 0.097 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 47 74.208 0.891 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 47 72.578 1.315 5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 47 73.311 0.237 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 47 72.567 -1.109 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 47 74.698 -1.924 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 47 74.881 -1.627 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 76.667 -0.778 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 76.052 0.317 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 75.564 0.420 7.529 1.00 0.00 H new ATOM 776 N LEU A 48 70.449 1.028 2.085 1.00 0.00 N ATOM 777 CA LEU A 48 69.915 1.279 0.751 1.00 0.00 C ATOM 778 C LEU A 48 70.860 2.258 0.040 1.00 0.00 C ATOM 779 O LEU A 48 71.399 3.130 0.687 1.00 0.00 O ATOM 780 CB LEU A 48 68.484 1.799 0.871 1.00 0.00 C ATOM 781 CG LEU A 48 67.479 0.701 1.249 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.331 0.601 2.772 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.098 0.958 0.661 1.00 0.00 C ATOM 0 H LEU A 48 70.650 1.870 2.625 1.00 0.00 H new ATOM 0 HA LEU A 48 69.865 0.369 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.451 2.588 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.185 2.248 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 48 67.875 -0.228 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.614 -0.183 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.297 0.362 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.976 1.553 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.422 0.155 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.716 1.909 1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.166 0.994 -0.426 1.00 0.00 H new ATOM 795 N ILE A 49 71.081 2.049 -1.295 1.00 0.00 N ATOM 796 CA ILE A 49 72.044 2.894 -2.028 1.00 0.00 C ATOM 797 C ILE A 49 71.400 3.580 -3.237 1.00 0.00 C ATOM 798 O ILE A 49 71.028 2.922 -4.198 1.00 0.00 O ATOM 799 CB ILE A 49 73.277 2.120 -2.559 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.660 0.918 -1.703 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.492 3.020 -2.790 1.00 0.00 C ATOM 802 CD1 ILE A 49 73.706 1.193 -0.218 1.00 0.00 C ATOM 0 H ILE A 49 70.621 1.331 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 49 72.368 3.623 -1.286 1.00 0.00 H new ATOM 0 HB ILE A 49 72.956 1.735 -3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.947 0.114 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.638 0.557 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.323 2.421 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.242 3.788 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.778 3.494 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 49 73.987 0.283 0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.441 1.972 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 49 72.724 1.523 0.122 1.00 0.00 H new ATOM 814 N TYR A 50 71.303 4.926 -3.138 1.00 0.00 N ATOM 815 CA TYR A 50 70.684 5.711 -4.199 1.00 0.00 C ATOM 816 C TYR A 50 71.714 6.690 -4.742 1.00 0.00 C ATOM 817 O TYR A 50 72.191 7.553 -4.019 1.00 0.00 O ATOM 818 CB TYR A 50 69.481 6.493 -3.653 1.00 0.00 C ATOM 819 CG TYR A 50 68.519 6.822 -4.764 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.549 5.915 -5.187 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.588 8.059 -5.385 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.662 6.237 -6.198 1.00 0.00 C ATOM 823 CE2 TYR A 50 67.682 8.401 -6.376 1.00 0.00 C ATOM 824 CZ TYR A 50 66.721 7.494 -6.778 1.00 0.00 C ATOM 825 OH TYR A 50 65.808 7.869 -7.733 1.00 0.00 O ATOM 0 H TYR A 50 71.642 5.471 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 50 70.338 5.043 -4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 50 68.975 5.905 -2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 50 69.823 7.411 -3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.489 4.944 -4.717 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.354 8.762 -5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 50 65.931 5.516 -6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.727 9.378 -6.835 1.00 0.00 H new ATOM 0 HH TYR A 50 65.327 8.667 -7.430 1.00 0.00 H new ATOM 835 N ALA A 51 72.013 6.509 -6.046 1.00 0.00 N ATOM 836 CA ALA A 51 72.958 7.379 -6.742 1.00 0.00 C ATOM 837 C ALA A 51 74.387 7.221 -6.190 1.00 0.00 C ATOM 838 O ALA A 51 75.156 8.177 -6.133 1.00 0.00 O ATOM 839 CB ALA A 51 72.502 8.849 -6.690 1.00 0.00 C ATOM 0 H ALA A 51 71.612 5.772 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 51 72.976 7.070 -7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.225 9.473 -7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.526 8.944 -7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.432 9.172 -5.651 1.00 0.00 H new ATOM 845 N GLY A 52 74.688 5.972 -5.768 1.00 0.00 N ATOM 846 CA GLY A 52 75.996 5.679 -5.191 1.00 0.00 C ATOM 847 C GLY A 52 76.105 6.053 -3.699 1.00 0.00 C ATOM 848 O GLY A 52 77.067 5.690 -3.034 1.00 0.00 O ATOM 0 H GLY A 52 74.052 5.176 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.206 4.616 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.761 6.219 -5.750 1.00 0.00 H new ATOM 852 N LYS A 53 75.079 6.791 -3.216 1.00 0.00 N ATOM 853 CA LYS A 53 75.029 7.244 -1.829 1.00 0.00 C ATOM 854 C LYS A 53 74.295 6.191 -0.993 1.00 0.00 C ATOM 855 O LYS A 53 73.643 5.357 -1.542 1.00 0.00 O ATOM 856 CB LYS A 53 74.253 8.567 -1.773 1.00 0.00 C ATOM 857 CG LYS A 53 75.145 9.774 -1.520 1.00 0.00 C ATOM 858 CD LYS A 53 75.893 9.664 -0.186 1.00 0.00 C ATOM 859 CE LYS A 53 76.574 10.974 0.193 1.00 0.00 C ATOM 860 NZ LYS A 53 77.056 10.951 1.566 1.00 0.00 N ATOM 0 H LYS A 53 74.278 7.080 -3.778 1.00 0.00 H new ATOM 0 HA LYS A 53 76.037 7.388 -1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 53 73.719 8.708 -2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.501 8.507 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 53 75.865 9.870 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 53 74.539 10.680 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 53 75.194 9.378 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 53 76.640 8.873 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 53 77.409 11.159 -0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 53 75.873 11.799 0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 77.513 11.858 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 76.256 10.799 2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 77.744 10.179 1.680 1.00 0.00 H new ATOM 874 N ILE A 54 74.439 6.311 0.359 1.00 0.00 N ATOM 875 CA ILE A 54 73.816 5.356 1.292 1.00 0.00 C ATOM 876 C ILE A 54 72.746 6.096 2.103 1.00 0.00 C ATOM 877 O ILE A 54 72.844 7.264 2.333 1.00 0.00 O ATOM 878 CB ILE A 54 74.888 4.769 2.246 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.249 3.337 1.838 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.538 4.823 3.755 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.281 2.304 2.432 1.00 0.00 C ATOM 0 H ILE A 54 74.975 7.052 0.811 1.00 0.00 H new ATOM 0 HA ILE A 54 73.362 4.536 0.735 1.00 0.00 H new ATOM 0 HB ILE A 54 75.749 5.427 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.240 3.258 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.264 3.112 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.353 4.388 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.392 5.860 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.623 4.259 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 54 74.577 1.304 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.309 2.363 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.269 2.511 2.083 1.00 0.00 H new ATOM 893 N LEU A 55 71.760 5.268 2.551 1.00 0.00 N ATOM 894 CA LEU A 55 70.639 5.752 3.339 1.00 0.00 C ATOM 895 C LEU A 55 70.243 4.663 4.356 1.00 0.00 C ATOM 896 O LEU A 55 70.207 3.486 4.061 1.00 0.00 O ATOM 897 CB LEU A 55 69.447 6.076 2.426 1.00 0.00 C ATOM 898 CG LEU A 55 69.229 5.109 1.266 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.738 5.002 0.949 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.017 5.498 -0.001 1.00 0.00 C ATOM 0 H LEU A 55 71.738 4.265 2.368 1.00 0.00 H new ATOM 0 HA LEU A 55 70.927 6.663 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.542 6.099 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.584 7.078 2.020 1.00 0.00 H new ATOM 0 HG LEU A 55 69.611 4.140 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.591 4.310 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.205 4.636 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.353 5.984 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 55 69.820 4.772 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.705 6.488 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.084 5.510 0.223 1.00 0.00 H new ATOM 912 N SER A 56 69.948 5.183 5.573 1.00 0.00 N ATOM 913 CA SER A 56 69.517 4.362 6.701 1.00 0.00 C ATOM 914 C SER A 56 68.034 4.654 6.988 1.00 0.00 C ATOM 915 O SER A 56 67.417 5.532 6.414 1.00 0.00 O ATOM 916 CB SER A 56 70.432 4.674 7.902 1.00 0.00 C ATOM 917 OG SER A 56 69.940 4.226 9.139 1.00 0.00 O ATOM 0 H SER A 56 70.006 6.179 5.786 1.00 0.00 H new ATOM 0 HA SER A 56 69.601 3.297 6.486 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.408 4.220 7.727 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.586 5.752 7.955 1.00 0.00 H new ATOM 0 HG SER A 56 70.575 4.459 9.848 1.00 0.00 H new ATOM 923 N ASP A 57 67.517 3.842 7.928 1.00 0.00 N ATOM 924 CA ASP A 57 66.143 3.915 8.413 1.00 0.00 C ATOM 925 C ASP A 57 65.790 5.268 9.056 1.00 0.00 C ATOM 926 O ASP A 57 64.626 5.583 9.243 1.00 0.00 O ATOM 927 CB ASP A 57 65.903 2.762 9.415 1.00 0.00 C ATOM 928 CG ASP A 57 66.803 2.741 10.665 1.00 0.00 C ATOM 929 OD1 ASP A 57 67.828 3.416 10.699 1.00 0.00 O ATOM 930 OD2 ASP A 57 66.465 2.028 11.606 1.00 0.00 O ATOM 0 H ASP A 57 68.061 3.104 8.376 1.00 0.00 H new ATOM 0 HA ASP A 57 65.486 3.817 7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 57 64.864 2.805 9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 57 66.031 1.818 8.886 1.00 0.00 H new ATOM 935 N ASP A 58 66.821 6.060 9.387 1.00 0.00 N ATOM 936 CA ASP A 58 66.556 7.344 10.028 1.00 0.00 C ATOM 937 C ASP A 58 66.630 8.508 9.032 1.00 0.00 C ATOM 938 O ASP A 58 66.287 9.634 9.391 1.00 0.00 O ATOM 939 CB ASP A 58 67.566 7.558 11.161 1.00 0.00 C ATOM 940 CG ASP A 58 67.192 6.765 12.433 1.00 0.00 C ATOM 941 OD1 ASP A 58 66.765 5.615 12.327 1.00 0.00 O ATOM 942 OD2 ASP A 58 67.325 7.317 13.524 1.00 0.00 O ATOM 0 H ASP A 58 67.805 5.842 9.228 1.00 0.00 H new ATOM 0 HA ASP A 58 65.542 7.323 10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.557 7.255 10.824 1.00 0.00 H new ATOM 0 HB3 ASP A 58 67.622 8.620 11.400 1.00 0.00 H new ATOM 947 N VAL A 59 67.089 8.218 7.797 1.00 0.00 N ATOM 948 CA VAL A 59 67.267 9.282 6.805 1.00 0.00 C ATOM 949 C VAL A 59 65.985 9.380 5.936 1.00 0.00 C ATOM 950 O VAL A 59 65.331 8.417 5.731 1.00 0.00 O ATOM 951 CB VAL A 59 68.474 8.988 5.898 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.640 8.356 6.666 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.124 8.121 4.686 1.00 0.00 C ATOM 0 H VAL A 59 67.335 7.282 7.475 1.00 0.00 H new ATOM 0 HA VAL A 59 67.446 10.223 7.326 1.00 0.00 H new ATOM 0 HB VAL A 59 68.787 9.964 5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.467 8.168 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 59 69.968 9.035 7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.316 7.415 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 59 69.020 7.952 4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.728 7.164 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.374 8.629 4.080 1.00 0.00 H new ATOM 963 N PRO A 60 65.699 10.607 5.391 1.00 0.00 N ATOM 964 CA PRO A 60 64.509 10.807 4.559 1.00 0.00 C ATOM 965 C PRO A 60 64.707 10.272 3.135 1.00 0.00 C ATOM 966 O PRO A 60 65.765 10.428 2.548 1.00 0.00 O ATOM 967 CB PRO A 60 64.302 12.328 4.558 1.00 0.00 C ATOM 968 CG PRO A 60 65.465 12.918 5.368 1.00 0.00 C ATOM 969 CD PRO A 60 66.495 11.805 5.520 1.00 0.00 C ATOM 0 HA PRO A 60 63.646 10.266 4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 60 64.298 12.720 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.343 12.591 5.005 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.896 13.779 4.857 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.122 13.265 6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.267 11.862 4.752 1.00 0.00 H new ATOM 0 HD3 PRO A 60 67.001 11.852 6.484 1.00 0.00 H new ATOM 977 N ILE A 61 63.648 9.629 2.609 1.00 0.00 N ATOM 978 CA ILE A 61 63.676 9.150 1.227 1.00 0.00 C ATOM 979 C ILE A 61 63.837 10.315 0.237 1.00 0.00 C ATOM 980 O ILE A 61 64.485 10.193 -0.796 1.00 0.00 O ATOM 981 CB ILE A 61 62.367 8.408 0.927 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.210 7.191 1.839 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.256 7.994 -0.544 1.00 0.00 C ATOM 984 CD1 ILE A 61 62.889 5.928 1.290 1.00 0.00 C ATOM 0 H ILE A 61 62.782 9.435 3.113 1.00 0.00 H new ATOM 0 HA ILE A 61 64.529 8.481 1.110 1.00 0.00 H new ATOM 0 HB ILE A 61 61.555 9.106 1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.628 7.423 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.149 6.990 1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.312 7.473 -0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.292 8.882 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 61 63.084 7.333 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.739 5.103 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.454 5.672 0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.957 6.112 1.170 1.00 0.00 H new ATOM 996 N ARG A 62 63.211 11.442 0.619 1.00 0.00 N ATOM 997 CA ARG A 62 63.272 12.646 -0.194 1.00 0.00 C ATOM 998 C ARG A 62 64.717 13.158 -0.302 1.00 0.00 C ATOM 999 O ARG A 62 65.110 13.714 -1.322 1.00 0.00 O ATOM 1000 CB ARG A 62 62.312 13.704 0.384 1.00 0.00 C ATOM 1001 CG ARG A 62 62.796 15.162 0.254 1.00 0.00 C ATOM 1002 CD ARG A 62 61.664 16.157 0.032 1.00 0.00 C ATOM 1003 NE ARG A 62 62.167 17.262 -0.779 1.00 0.00 N ATOM 1004 CZ ARG A 62 61.342 18.047 -1.503 1.00 0.00 C ATOM 1005 NH1 ARG A 62 60.026 17.852 -1.481 1.00 0.00 N ATOM 1006 NH2 ARG A 62 61.851 19.022 -2.248 1.00 0.00 N ATOM 0 H ARG A 62 62.666 11.534 1.476 1.00 0.00 H new ATOM 0 HA ARG A 62 62.948 12.421 -1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 62 61.348 13.611 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 62 62.146 13.485 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 62 63.341 15.438 1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.499 15.231 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 62 60.826 15.671 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 62 61.293 16.527 0.988 1.00 0.00 H new ATOM 0 HE ARG A 62 63.170 17.446 -0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 62 59.631 17.103 -0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 62 59.412 18.452 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 62 62.859 19.173 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 62 61.233 19.619 -2.798 1.00 0.00 H new ATOM 1020 N ASP A 63 65.474 12.937 0.794 1.00 0.00 N ATOM 1021 CA ASP A 63 66.873 13.353 0.811 1.00 0.00 C ATOM 1022 C ASP A 63 67.669 12.655 -0.309 1.00 0.00 C ATOM 1023 O ASP A 63 68.621 13.210 -0.849 1.00 0.00 O ATOM 1024 CB ASP A 63 67.476 13.062 2.197 1.00 0.00 C ATOM 1025 CG ASP A 63 68.966 13.432 2.350 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.456 14.289 1.615 1.00 0.00 O ATOM 1027 OD2 ASP A 63 69.625 12.847 3.209 1.00 0.00 O ATOM 0 H ASP A 63 65.144 12.487 1.648 1.00 0.00 H new ATOM 0 HA ASP A 63 66.931 14.425 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.903 13.606 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.357 12.000 2.413 1.00 0.00 H new ATOM 1032 N TYR A 64 67.211 11.429 -0.629 1.00 0.00 N ATOM 1033 CA TYR A 64 67.856 10.631 -1.659 1.00 0.00 C ATOM 1034 C TYR A 64 66.982 10.519 -2.908 1.00 0.00 C ATOM 1035 O TYR A 64 67.218 9.648 -3.722 1.00 0.00 O ATOM 1036 CB TYR A 64 68.153 9.230 -1.109 1.00 0.00 C ATOM 1037 CG TYR A 64 69.150 9.301 0.009 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.725 9.565 1.303 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.507 9.118 -0.232 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.637 9.670 2.341 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.412 9.197 0.813 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.980 9.464 2.103 1.00 0.00 C ATOM 1043 OH TYR A 64 71.886 9.498 3.142 1.00 0.00 O ATOM 0 H TYR A 64 66.406 10.984 -0.188 1.00 0.00 H new ATOM 0 HA TYR A 64 68.785 11.126 -1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 64 67.231 8.771 -0.752 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.538 8.595 -1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.671 9.690 1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.855 8.914 -1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.296 9.913 3.337 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.465 9.049 0.621 1.00 0.00 H new ATOM 0 HH TYR A 64 72.287 8.611 3.256 1.00 0.00 H new ATOM 1053 N ARG A 65 65.971 11.405 -3.032 1.00 0.00 N ATOM 1054 CA ARG A 65 65.071 11.457 -4.188 1.00 0.00 C ATOM 1055 C ARG A 65 64.708 10.074 -4.779 1.00 0.00 C ATOM 1056 O ARG A 65 64.819 9.850 -5.981 1.00 0.00 O ATOM 1057 CB ARG A 65 65.675 12.378 -5.267 1.00 0.00 C ATOM 1058 CG ARG A 65 64.615 13.257 -5.937 1.00 0.00 C ATOM 1059 CD ARG A 65 65.234 14.147 -7.014 1.00 0.00 C ATOM 1060 NE ARG A 65 64.187 14.815 -7.777 1.00 0.00 N ATOM 1061 CZ ARG A 65 64.408 15.965 -8.455 1.00 0.00 C ATOM 1062 NH1 ARG A 65 65.597 16.562 -8.430 1.00 0.00 N ATOM 1063 NH2 ARG A 65 63.420 16.506 -9.159 1.00 0.00 N ATOM 0 H ARG A 65 65.761 12.107 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 65 64.126 11.864 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 65 66.438 13.012 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 65 66.172 11.771 -6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 65 63.844 12.627 -6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 65 64.126 13.877 -5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 65 65.887 14.888 -6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 65 65.853 13.547 -7.681 1.00 0.00 H new ATOM 0 HE ARG A 65 63.255 14.401 -7.801 1.00 0.00 H new ATOM 0 HH11 ARG A 65 66.362 16.153 -7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 65 65.744 17.428 -8.948 1.00 0.00 H new ATOM 0 HH21 ARG A 65 62.506 16.055 -9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 65 63.576 17.373 -9.674 1.00 0.00 H new ATOM 1077 N ILE A 66 64.301 9.160 -3.869 1.00 0.00 N ATOM 1078 CA ILE A 66 64.079 7.779 -4.291 1.00 0.00 C ATOM 1079 C ILE A 66 62.715 7.661 -4.968 1.00 0.00 C ATOM 1080 O ILE A 66 61.681 7.551 -4.320 1.00 0.00 O ATOM 1081 CB ILE A 66 64.204 6.780 -3.135 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.314 7.225 -2.172 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.380 5.328 -3.617 1.00 0.00 C ATOM 1084 CD1 ILE A 66 65.817 6.130 -1.265 1.00 0.00 C ATOM 0 H ILE A 66 64.129 9.351 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 66 64.863 7.522 -5.004 1.00 0.00 H new ATOM 0 HB ILE A 66 63.262 6.782 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.150 7.614 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 66 64.942 8.047 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.463 4.666 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.518 5.037 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.284 5.252 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.599 6.525 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 66 64.994 5.756 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.222 5.316 -1.867 1.00 0.00 H new ATOM 1096 N ASP A 67 62.797 7.694 -6.311 1.00 0.00 N ATOM 1097 CA ASP A 67 61.604 7.594 -7.138 1.00 0.00 C ATOM 1098 C ASP A 67 61.444 6.133 -7.569 1.00 0.00 C ATOM 1099 O ASP A 67 62.401 5.380 -7.584 1.00 0.00 O ATOM 1100 CB ASP A 67 61.690 8.573 -8.329 1.00 0.00 C ATOM 1101 CG ASP A 67 62.863 8.352 -9.303 1.00 0.00 C ATOM 1102 OD1 ASP A 67 63.614 7.407 -9.123 1.00 0.00 O ATOM 1103 OD2 ASP A 67 63.012 9.130 -10.242 1.00 0.00 O ATOM 0 H ASP A 67 63.669 7.788 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 67 60.714 7.884 -6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 67 60.759 8.510 -8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 67 61.757 9.587 -7.936 1.00 0.00 H new ATOM 1108 N GLU A 68 60.182 5.795 -7.914 1.00 0.00 N ATOM 1109 CA GLU A 68 59.867 4.455 -8.405 1.00 0.00 C ATOM 1110 C GLU A 68 60.624 4.131 -9.697 1.00 0.00 C ATOM 1111 O GLU A 68 61.123 3.021 -9.869 1.00 0.00 O ATOM 1112 CB GLU A 68 58.353 4.345 -8.651 1.00 0.00 C ATOM 1113 CG GLU A 68 57.916 3.092 -9.442 1.00 0.00 C ATOM 1114 CD GLU A 68 58.385 1.778 -8.805 1.00 0.00 C ATOM 1115 OE1 GLU A 68 58.468 1.711 -7.584 1.00 0.00 O ATOM 1116 OE2 GLU A 68 58.661 0.834 -9.544 1.00 0.00 O ATOM 0 H GLU A 68 59.383 6.427 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 68 60.179 3.736 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 68 57.841 4.347 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 68 58.021 5.232 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 68 56.829 3.082 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 68 58.309 3.156 -10.457 1.00 0.00 H new ATOM 1123 N LYS A 69 60.681 5.155 -10.581 1.00 0.00 N ATOM 1124 CA LYS A 69 61.357 5.018 -11.868 1.00 0.00 C ATOM 1125 C LYS A 69 62.789 4.454 -11.735 1.00 0.00 C ATOM 1126 O LYS A 69 63.288 3.765 -12.614 1.00 0.00 O ATOM 1127 CB LYS A 69 61.400 6.371 -12.613 1.00 0.00 C ATOM 1128 CG LYS A 69 60.723 6.320 -13.989 1.00 0.00 C ATOM 1129 CD LYS A 69 61.290 5.230 -14.917 1.00 0.00 C ATOM 1130 CE LYS A 69 60.423 5.017 -16.164 1.00 0.00 C ATOM 1131 NZ LYS A 69 60.119 3.609 -16.393 1.00 0.00 N ATOM 0 H LYS A 69 60.267 6.073 -10.417 1.00 0.00 H new ATOM 0 HA LYS A 69 60.773 4.300 -12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 69 60.913 7.131 -12.002 1.00 0.00 H new ATOM 0 HB3 LYS A 69 62.438 6.679 -12.736 1.00 0.00 H new ATOM 0 HG2 LYS A 69 59.655 6.149 -13.853 1.00 0.00 H new ATOM 0 HG3 LYS A 69 60.832 7.290 -14.474 1.00 0.00 H new ATOM 0 HD2 LYS A 69 62.300 5.505 -15.222 1.00 0.00 H new ATOM 0 HD3 LYS A 69 61.368 4.292 -14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 69 59.493 5.574 -16.056 1.00 0.00 H new ATOM 0 HE3 LYS A 69 60.938 5.422 -17.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 59.531 3.515 -17.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 61.005 3.079 -16.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 59.604 3.227 -15.574 1.00 0.00 H new ATOM 1145 N ASN A 70 63.389 4.789 -10.573 1.00 0.00 N ATOM 1146 CA ASN A 70 64.704 4.288 -10.206 1.00 0.00 C ATOM 1147 C ASN A 70 64.524 3.297 -9.052 1.00 0.00 C ATOM 1148 O ASN A 70 63.508 3.266 -8.378 1.00 0.00 O ATOM 1149 CB ASN A 70 65.583 5.479 -9.799 1.00 0.00 C ATOM 1150 CG ASN A 70 67.083 5.218 -9.951 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.711 5.647 -10.909 1.00 0.00 O ATOM 1152 ND2 ASN A 70 67.609 4.502 -8.945 1.00 0.00 N ATOM 0 H ASN A 70 62.970 5.408 -9.879 1.00 0.00 H new ATOM 0 HA ASN A 70 65.190 3.775 -11.036 1.00 0.00 H new ATOM 0 HB2 ASN A 70 65.311 6.344 -10.404 1.00 0.00 H new ATOM 0 HB3 ASN A 70 65.372 5.737 -8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 70 68.604 4.279 -8.944 1.00 0.00 H new ATOM 0 HD22 ASN A 70 67.014 4.181 -8.181 1.00 0.00 H new ATOM 1159 N PHE A 71 65.590 2.492 -8.874 1.00 0.00 N ATOM 1160 CA PHE A 71 65.626 1.582 -7.750 1.00 0.00 C ATOM 1161 C PHE A 71 66.948 1.726 -6.983 1.00 0.00 C ATOM 1162 O PHE A 71 68.014 1.876 -7.558 1.00 0.00 O ATOM 1163 CB PHE A 71 65.350 0.158 -8.260 1.00 0.00 C ATOM 1164 CG PHE A 71 66.497 -0.508 -8.957 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.575 -0.971 -8.215 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.497 -0.682 -10.334 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.667 -1.551 -8.830 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.579 -1.291 -10.956 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.670 -1.711 -10.207 1.00 0.00 C ATOM 0 H PHE A 71 66.407 2.464 -9.483 1.00 0.00 H new ATOM 0 HA PHE A 71 64.847 1.823 -7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 71 65.052 -0.461 -7.414 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.502 0.193 -8.944 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.559 -0.876 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 71 65.656 -0.344 -10.921 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.512 -1.878 -8.243 1.00 0.00 H new ATOM 0 HE2 PHE A 71 67.572 -1.438 -12.026 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.520 -2.162 -10.697 1.00 0.00 H new ATOM 1179 N VAL A 72 66.792 1.650 -5.643 1.00 0.00 N ATOM 1180 CA VAL A 72 67.936 1.679 -4.741 1.00 0.00 C ATOM 1181 C VAL A 72 68.481 0.258 -4.526 1.00 0.00 C ATOM 1182 O VAL A 72 67.834 -0.725 -4.840 1.00 0.00 O ATOM 1183 CB VAL A 72 67.474 2.334 -3.424 1.00 0.00 C ATOM 1184 CG1 VAL A 72 67.384 1.401 -2.224 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.381 3.468 -3.001 1.00 0.00 C ATOM 0 H VAL A 72 65.888 1.569 -5.177 1.00 0.00 H new ATOM 0 HA VAL A 72 68.755 2.262 -5.162 1.00 0.00 H new ATOM 0 HB VAL A 72 66.471 2.677 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.050 1.962 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 72 66.672 0.603 -2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.365 0.969 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.015 3.898 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.392 3.089 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.390 4.235 -3.775 1.00 0.00 H new ATOM 1195 N VAL A 73 69.689 0.205 -3.940 1.00 0.00 N ATOM 1196 CA VAL A 73 70.288 -1.084 -3.612 1.00 0.00 C ATOM 1197 C VAL A 73 70.154 -1.370 -2.114 1.00 0.00 C ATOM 1198 O VAL A 73 70.873 -0.810 -1.307 1.00 0.00 O ATOM 1199 CB VAL A 73 71.768 -1.065 -4.031 1.00 0.00 C ATOM 1200 CG1 VAL A 73 72.641 -2.059 -3.227 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.896 -1.225 -5.558 1.00 0.00 C ATOM 0 H VAL A 73 70.251 1.019 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 73 69.769 -1.877 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 73 72.174 -0.087 -3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 73 73.674 -1.997 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 73 72.596 -1.808 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.269 -3.073 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.949 -1.210 -5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 73 71.453 -2.173 -5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.376 -0.406 -6.055 1.00 0.00 H new ATOM 1211 N VAL A 74 69.259 -2.329 -1.805 1.00 0.00 N ATOM 1212 CA VAL A 74 69.146 -2.843 -0.445 1.00 0.00 C ATOM 1213 C VAL A 74 70.311 -3.820 -0.139 1.00 0.00 C ATOM 1214 O VAL A 74 70.174 -5.031 -0.243 1.00 0.00 O ATOM 1215 CB VAL A 74 67.776 -3.517 -0.235 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.363 -4.349 -1.451 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.722 -4.389 1.033 1.00 0.00 C ATOM 0 H VAL A 74 68.617 -2.752 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 74 69.216 -2.009 0.254 1.00 0.00 H new ATOM 0 HB VAL A 74 67.067 -2.700 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.392 -4.808 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.297 -3.704 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 74 68.105 -5.128 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 74 66.732 -4.836 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.471 -5.178 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 74 67.924 -3.771 1.908 1.00 0.00 H new ATOM 1227 N MET A 75 71.449 -3.222 0.272 1.00 0.00 N ATOM 1228 CA MET A 75 72.593 -4.004 0.727 1.00 0.00 C ATOM 1229 C MET A 75 72.548 -4.114 2.255 1.00 0.00 C ATOM 1230 O MET A 75 72.318 -3.137 2.941 1.00 0.00 O ATOM 1231 CB MET A 75 73.882 -3.316 0.250 1.00 0.00 C ATOM 1232 CG MET A 75 75.147 -3.767 1.000 1.00 0.00 C ATOM 1233 SD MET A 75 75.390 -2.869 2.550 1.00 0.00 S ATOM 1234 CE MET A 75 76.151 -1.372 1.900 1.00 0.00 C ATOM 0 H MET A 75 71.589 -2.212 0.294 1.00 0.00 H new ATOM 0 HA MET A 75 72.565 -5.012 0.313 1.00 0.00 H new ATOM 0 HB2 MET A 75 74.014 -3.512 -0.814 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.770 -2.238 0.364 1.00 0.00 H new ATOM 0 HG2 MET A 75 75.080 -4.835 1.209 1.00 0.00 H new ATOM 0 HG3 MET A 75 76.017 -3.621 0.359 1.00 0.00 H new ATOM 0 HE1 MET A 75 75.945 -0.538 2.571 1.00 0.00 H new ATOM 0 HE2 MET A 75 77.228 -1.516 1.821 1.00 0.00 H new ATOM 0 HE3 MET A 75 75.741 -1.154 0.914 1.00 0.00 H new ATOM 1244 N VAL A 76 72.796 -5.358 2.737 1.00 0.00 N ATOM 1245 CA VAL A 76 72.864 -5.617 4.175 1.00 0.00 C ATOM 1246 C VAL A 76 73.994 -6.622 4.446 1.00 0.00 C ATOM 1247 O VAL A 76 74.214 -7.551 3.685 1.00 0.00 O ATOM 1248 CB VAL A 76 71.526 -6.184 4.693 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.476 -6.214 6.236 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.338 -5.420 4.102 1.00 0.00 C ATOM 0 H VAL A 76 72.949 -6.179 2.151 1.00 0.00 H new ATOM 0 HA VAL A 76 73.062 -4.681 4.697 1.00 0.00 H new ATOM 0 HB VAL A 76 71.454 -7.218 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.518 -6.620 6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.283 -6.842 6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.592 -5.202 6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.408 -5.841 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.404 -4.369 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.355 -5.505 3.015 1.00 0.00 H new ATOM 1260 N THR A 77 74.674 -6.373 5.591 1.00 0.00 N ATOM 1261 CA THR A 77 75.730 -7.263 6.060 1.00 0.00 C ATOM 1262 C THR A 77 75.145 -8.643 6.409 1.00 0.00 C ATOM 1263 O THR A 77 74.287 -8.777 7.276 1.00 0.00 O ATOM 1264 CB THR A 77 76.405 -6.648 7.299 1.00 0.00 C ATOM 1265 OG1 THR A 77 75.425 -6.279 8.239 1.00 0.00 O ATOM 1266 CG2 THR A 77 77.259 -5.418 6.965 1.00 0.00 C ATOM 0 H THR A 77 74.502 -5.567 6.193 1.00 0.00 H new ATOM 0 HA THR A 77 76.470 -7.389 5.270 1.00 0.00 H new ATOM 0 HB THR A 77 77.069 -7.411 7.706 1.00 0.00 H new ATOM 0 HG1 THR A 77 74.732 -6.971 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.709 -5.029 7.878 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.045 -5.700 6.265 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.630 -4.650 6.514 1.00 0.00 H new ATOM 1274 N LYS A 78 75.671 -9.643 5.672 1.00 0.00 N ATOM 1275 CA LYS A 78 75.252 -11.028 5.862 1.00 0.00 C ATOM 1276 C LYS A 78 76.449 -11.982 5.638 1.00 0.00 C ATOM 1277 O LYS A 78 76.368 -13.138 6.053 1.00 0.00 O ATOM 1278 CB LYS A 78 74.109 -11.347 4.884 1.00 0.00 C ATOM 1279 CG LYS A 78 73.270 -12.567 5.306 1.00 0.00 C ATOM 1280 CD LYS A 78 72.805 -13.413 4.111 1.00 0.00 C ATOM 1281 CE LYS A 78 73.588 -14.728 4.007 1.00 0.00 C ATOM 1282 NZ LYS A 78 73.451 -15.363 2.704 1.00 0.00 N ATOM 1283 OXT LYS A 78 77.448 -11.565 5.051 1.00 0.00 O ATOM 0 H LYS A 78 76.379 -9.510 4.950 1.00 0.00 H new ATOM 0 HA LYS A 78 74.896 -11.168 6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 78 73.457 -10.477 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 78 74.527 -11.527 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 78 73.858 -13.191 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 78 72.398 -12.227 5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 78 71.741 -13.630 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 78 72.929 -12.842 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 78 74.643 -14.534 4.203 1.00 0.00 H new ATOM 0 HE3 LYS A 78 73.241 -15.415 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 74.000 -16.246 2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 72.449 -15.575 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 73.807 -14.722 1.966 1.00 0.00 H new TER 1297 LYS A 78