USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 630 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 58 ASN : amide:sc= -10.6! C(o=-12!,f=-7!) USER MOD Set 1.2: A 60 GLN : amide:sc= -0.954 K(o=-12,f=-16!) USER MOD Single : A 9 MET CE :methyl 174:sc= -0.127 (180deg=-0.214) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 1.72 (180deg=1.37) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.0083) USER MOD Single : A 23 THR OG1 : rot 130:sc= -0.69 USER MOD Single : A 38 HIS : no HD1:sc= -1.98! C(o=-2!,f=-4!) USER MOD Single : A 41 MET CE :methyl 151:sc= -0.859 (180deg=-3.43!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.352 K(o=-0.35,f=-1.2) USER MOD Single : A 49 HIS : no HD1:sc= -2.19 X(o=-2.2,f=-1.9) USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.349 (180deg=-1.49!) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00525 USER MOD Single : A 70 GLN : amide:sc= -3.45! C(o=-3.4!,f=-3.1!) USER MOD Single : A 75 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.24) USER MOD Single : A 77 SER OG : rot 180:sc=-0.00241 USER MOD Single : A 79 SER OG : rot 41:sc= 0.755 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.141 -9.560 -9.416 1.00 0.00 N ATOM 60 CA GLY A 7 -1.919 -8.363 -8.627 1.00 0.00 C ATOM 61 C GLY A 7 -1.504 -7.177 -9.475 1.00 0.00 C ATOM 62 O GLY A 7 -1.189 -7.330 -10.656 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.831 -8.116 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.148 -8.561 -7.882 1.00 0.00 H new ATOM 66 N ARG A 8 -1.505 -5.992 -8.874 1.00 0.00 N ATOM 67 CA ARG A 8 -1.129 -4.775 -9.584 1.00 0.00 C ATOM 68 C ARG A 8 0.263 -4.310 -9.165 1.00 0.00 C ATOM 69 O ARG A 8 0.541 -4.141 -7.978 1.00 0.00 O ATOM 70 CB ARG A 8 -2.150 -3.667 -9.317 1.00 0.00 C ATOM 71 CG ARG A 8 -1.815 -2.809 -8.108 1.00 0.00 C ATOM 72 CD ARG A 8 -2.827 -1.689 -7.923 1.00 0.00 C ATOM 73 NE ARG A 8 -2.490 -0.510 -8.717 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.240 0.586 -8.760 1.00 0.00 C ATOM 75 NH1 ARG A 8 -4.362 0.653 -8.058 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.866 1.618 -9.505 1.00 0.00 N ATOM 0 H ARG A 8 -1.762 -5.848 -7.897 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.114 -4.996 -10.651 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.219 -3.028 -10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.132 -4.117 -9.172 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.792 -3.432 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.818 -2.384 -8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.818 -2.045 -8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.875 -1.415 -6.869 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.632 -0.529 -9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.652 -0.138 -7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.936 1.496 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.002 1.570 -10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.442 2.459 -9.538 1.00 0.00 H new ATOM 90 N MET A 9 1.133 -4.106 -10.149 1.00 0.00 N ATOM 91 CA MET A 9 2.496 -3.661 -9.882 1.00 0.00 C ATOM 92 C MET A 9 2.590 -2.139 -9.934 1.00 0.00 C ATOM 93 O MET A 9 2.289 -1.523 -10.956 1.00 0.00 O ATOM 94 CB MET A 9 3.464 -4.278 -10.893 1.00 0.00 C ATOM 95 CG MET A 9 3.885 -5.696 -10.544 1.00 0.00 C ATOM 96 SD MET A 9 4.664 -5.810 -8.922 1.00 0.00 S ATOM 97 CE MET A 9 5.397 -7.441 -9.011 1.00 0.00 C ATOM 0 H MET A 9 0.919 -4.242 -11.137 1.00 0.00 H new ATOM 0 HA MET A 9 2.770 -3.991 -8.880 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.996 -4.279 -11.878 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.353 -3.651 -10.962 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.011 -6.347 -10.570 1.00 0.00 H new ATOM 0 HG3 MET A 9 4.578 -6.062 -11.302 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.005 -7.616 -8.123 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.609 -8.192 -9.065 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.025 -7.510 -9.900 1.00 0.00 H new ATOM 107 N VAL A 10 3.009 -1.538 -8.824 1.00 0.00 N ATOM 108 CA VAL A 10 3.144 -0.089 -8.744 1.00 0.00 C ATOM 109 C VAL A 10 4.596 0.317 -8.517 1.00 0.00 C ATOM 110 O VAL A 10 5.238 -0.138 -7.571 1.00 0.00 O ATOM 111 CB VAL A 10 2.277 0.493 -7.612 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.546 1.981 -7.443 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.802 0.238 -7.885 1.00 0.00 C ATOM 0 H VAL A 10 3.261 -2.033 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 10 2.803 0.314 -9.698 1.00 0.00 H new ATOM 0 HB VAL A 10 2.543 -0.008 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.924 2.374 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.597 2.135 -7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.310 2.501 -8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.204 0.656 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.519 0.710 -8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.624 -0.835 -7.950 1.00 0.00 H new ATOM 123 N GLY A 11 5.108 1.177 -9.392 1.00 0.00 N ATOM 124 CA GLY A 11 6.481 1.630 -9.270 1.00 0.00 C ATOM 125 C GLY A 11 6.585 3.001 -8.631 1.00 0.00 C ATOM 126 O GLY A 11 6.131 3.994 -9.201 1.00 0.00 O ATOM 0 H GLY A 11 4.596 1.568 -10.183 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.046 0.912 -8.676 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.940 1.657 -10.258 1.00 0.00 H new ATOM 130 N ILE A 12 7.181 3.056 -7.445 1.00 0.00 N ATOM 131 CA ILE A 12 7.341 4.315 -6.729 1.00 0.00 C ATOM 132 C ILE A 12 8.758 4.857 -6.881 1.00 0.00 C ATOM 133 O ILE A 12 9.731 4.106 -6.821 1.00 0.00 O ATOM 134 CB ILE A 12 7.023 4.155 -5.231 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.611 3.595 -5.044 1.00 0.00 C ATOM 136 CG2 ILE A 12 7.169 5.488 -4.513 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.559 2.084 -5.011 1.00 0.00 C ATOM 0 H ILE A 12 7.561 2.243 -6.960 1.00 0.00 H new ATOM 0 HA ILE A 12 6.635 5.020 -7.169 1.00 0.00 H new ATOM 0 HB ILE A 12 7.733 3.451 -4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.194 3.985 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.976 3.955 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.941 5.358 -3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.191 5.850 -4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.480 6.212 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.528 1.758 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.945 1.686 -5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.167 1.717 -4.184 1.00 0.00 H new ATOM 149 N ARG A 13 8.866 6.168 -7.076 1.00 0.00 N ATOM 150 CA ARG A 13 10.165 6.811 -7.236 1.00 0.00 C ATOM 151 C ARG A 13 10.591 7.503 -5.944 1.00 0.00 C ATOM 152 O ARG A 13 11.184 8.582 -5.971 1.00 0.00 O ATOM 153 CB ARG A 13 10.117 7.826 -8.379 1.00 0.00 C ATOM 154 CG ARG A 13 11.487 8.328 -8.806 1.00 0.00 C ATOM 155 CD ARG A 13 11.487 8.781 -10.258 1.00 0.00 C ATOM 156 NE ARG A 13 10.826 10.072 -10.428 1.00 0.00 N ATOM 157 CZ ARG A 13 10.349 10.506 -11.589 1.00 0.00 C ATOM 158 NH1 ARG A 13 10.459 9.755 -12.677 1.00 0.00 N ATOM 159 NH2 ARG A 13 9.760 11.693 -11.664 1.00 0.00 N ATOM 0 H ARG A 13 8.071 6.805 -7.127 1.00 0.00 H new ATOM 0 HA ARG A 13 10.898 6.040 -7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.622 7.371 -9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.507 8.676 -8.073 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.788 9.157 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.224 7.537 -8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.514 8.850 -10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.985 8.033 -10.871 1.00 0.00 H new ATOM 0 HE ARG A 13 10.725 10.673 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.911 8.842 -12.623 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.092 10.090 -13.568 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.673 12.273 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.394 12.025 -12.556 1.00 0.00 H new ATOM 173 N LYS A 14 10.285 6.876 -4.814 1.00 0.00 N ATOM 174 CA LYS A 14 10.636 7.429 -3.512 1.00 0.00 C ATOM 175 C LYS A 14 12.132 7.293 -3.248 1.00 0.00 C ATOM 176 O LYS A 14 12.805 6.453 -3.847 1.00 0.00 O ATOM 177 CB LYS A 14 9.847 6.725 -2.406 1.00 0.00 C ATOM 178 CG LYS A 14 10.399 5.357 -2.041 1.00 0.00 C ATOM 179 CD LYS A 14 9.912 4.906 -0.674 1.00 0.00 C ATOM 180 CE LYS A 14 10.593 5.682 0.444 1.00 0.00 C ATOM 181 NZ LYS A 14 11.834 5.006 0.912 1.00 0.00 N ATOM 0 H LYS A 14 9.794 5.983 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 14 10.380 8.489 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.843 7.355 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.810 6.616 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.097 4.629 -2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.488 5.390 -2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.833 5.042 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.107 3.841 -0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.836 6.685 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.903 5.794 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.422 5.685 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.583 4.212 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.365 4.649 0.092 1.00 0.00 H new ATOM 195 N THR A 15 12.648 8.124 -2.348 1.00 0.00 N ATOM 196 CA THR A 15 14.064 8.097 -2.005 1.00 0.00 C ATOM 197 C THR A 15 14.267 7.753 -0.534 1.00 0.00 C ATOM 198 O THR A 15 13.426 8.065 0.308 1.00 0.00 O ATOM 199 CB THR A 15 14.741 9.448 -2.303 1.00 0.00 C ATOM 200 OG1 THR A 15 16.131 9.384 -1.968 1.00 0.00 O ATOM 201 CG2 THR A 15 14.076 10.570 -1.520 1.00 0.00 C ATOM 0 H THR A 15 12.105 8.825 -1.843 1.00 0.00 H new ATOM 0 HA THR A 15 14.524 7.325 -2.623 1.00 0.00 H new ATOM 0 HB THR A 15 14.634 9.656 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.554 10.246 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.571 11.515 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.024 10.635 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 15 14.156 10.365 -0.452 1.00 0.00 H new ATOM 209 N ALA A 16 15.390 7.109 -0.231 1.00 0.00 N ATOM 210 CA ALA A 16 15.704 6.725 1.139 1.00 0.00 C ATOM 211 C ALA A 16 15.239 7.789 2.128 1.00 0.00 C ATOM 212 O ALA A 16 15.459 8.982 1.920 1.00 0.00 O ATOM 213 CB ALA A 16 17.198 6.480 1.289 1.00 0.00 C ATOM 0 H ALA A 16 16.097 6.843 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 16 15.171 5.801 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.418 6.194 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.505 5.679 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.743 7.391 1.041 1.00 0.00 H new ATOM 219 N GLY A 17 14.594 7.350 3.204 1.00 0.00 N ATOM 220 CA GLY A 17 14.107 8.278 4.208 1.00 0.00 C ATOM 221 C GLY A 17 12.683 8.724 3.943 1.00 0.00 C ATOM 222 O GLY A 17 11.784 8.456 4.739 1.00 0.00 O ATOM 0 H GLY A 17 14.400 6.368 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.160 7.807 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.758 9.151 4.238 1.00 0.00 H new ATOM 226 N GLU A 18 12.478 9.408 2.822 1.00 0.00 N ATOM 227 CA GLU A 18 11.153 9.895 2.456 1.00 0.00 C ATOM 228 C GLU A 18 10.075 8.896 2.865 1.00 0.00 C ATOM 229 O GLU A 18 9.853 7.892 2.187 1.00 0.00 O ATOM 230 CB GLU A 18 11.078 10.154 0.950 1.00 0.00 C ATOM 231 CG GLU A 18 11.496 11.560 0.553 1.00 0.00 C ATOM 232 CD GLU A 18 10.464 12.604 0.931 1.00 0.00 C ATOM 233 OE1 GLU A 18 9.256 12.292 0.877 1.00 0.00 O ATOM 234 OE2 GLU A 18 10.864 13.735 1.281 1.00 0.00 O ATOM 0 H GLU A 18 13.212 9.637 2.152 1.00 0.00 H new ATOM 0 HA GLU A 18 10.978 10.831 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.715 9.435 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.058 9.978 0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.445 11.802 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.665 11.595 -0.523 1.00 0.00 H new ATOM 241 N HIS A 19 9.407 9.178 3.979 1.00 0.00 N ATOM 242 CA HIS A 19 8.351 8.304 4.480 1.00 0.00 C ATOM 243 C HIS A 19 7.135 8.339 3.558 1.00 0.00 C ATOM 244 O HIS A 19 7.041 9.185 2.668 1.00 0.00 O ATOM 245 CB HIS A 19 7.945 8.718 5.894 1.00 0.00 C ATOM 246 CG HIS A 19 9.097 8.801 6.848 1.00 0.00 C ATOM 247 ND1 HIS A 19 9.437 7.779 7.709 1.00 0.00 N ATOM 248 CD2 HIS A 19 9.992 9.793 7.071 1.00 0.00 C ATOM 249 CE1 HIS A 19 10.489 8.139 8.422 1.00 0.00 C ATOM 250 NE2 HIS A 19 10.846 9.356 8.054 1.00 0.00 N ATOM 0 H HIS A 19 9.578 10.004 4.552 1.00 0.00 H new ATOM 0 HA HIS A 19 8.738 7.285 4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.449 9.687 5.851 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.217 8.004 6.278 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.027 10.749 6.570 1.00 0.00 H new ATOM 0 HE1 HIS A 19 10.975 7.540 9.178 1.00 0.00 H new ATOM 0 HE2 HIS A 19 11.629 9.886 8.438 1.00 0.00 H new ATOM 259 N LEU A 20 6.207 7.413 3.777 1.00 0.00 N ATOM 260 CA LEU A 20 4.997 7.337 2.966 1.00 0.00 C ATOM 261 C LEU A 20 3.775 7.771 3.769 1.00 0.00 C ATOM 262 O LEU A 20 3.081 8.717 3.399 1.00 0.00 O ATOM 263 CB LEU A 20 4.799 5.913 2.443 1.00 0.00 C ATOM 264 CG LEU A 20 5.768 5.458 1.352 1.00 0.00 C ATOM 265 CD1 LEU A 20 7.128 5.131 1.949 1.00 0.00 C ATOM 266 CD2 LEU A 20 5.207 4.254 0.608 1.00 0.00 C ATOM 0 H LEU A 20 6.270 6.705 4.509 1.00 0.00 H new ATOM 0 HA LEU A 20 5.112 8.015 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.880 5.224 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.783 5.827 2.058 1.00 0.00 H new ATOM 0 HG LEU A 20 5.893 6.274 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.805 4.809 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.534 6.018 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.021 4.332 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.910 3.944 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.052 3.433 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.256 4.522 0.147 1.00 0.00 H new ATOM 278 N GLY A 21 3.520 7.074 4.872 1.00 0.00 N ATOM 279 CA GLY A 21 2.383 7.403 5.711 1.00 0.00 C ATOM 280 C GLY A 21 1.237 6.424 5.546 1.00 0.00 C ATOM 281 O GLY A 21 0.236 6.732 4.900 1.00 0.00 O ATOM 0 H GLY A 21 4.081 6.287 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.698 7.417 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.036 8.408 5.469 1.00 0.00 H new ATOM 285 N VAL A 22 1.384 5.239 6.131 1.00 0.00 N ATOM 286 CA VAL A 22 0.354 4.211 6.045 1.00 0.00 C ATOM 287 C VAL A 22 0.538 3.157 7.131 1.00 0.00 C ATOM 288 O VAL A 22 1.661 2.864 7.544 1.00 0.00 O ATOM 289 CB VAL A 22 0.363 3.521 4.668 1.00 0.00 C ATOM 290 CG1 VAL A 22 -0.007 4.510 3.573 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.722 2.895 4.395 1.00 0.00 C ATOM 0 H VAL A 22 2.207 4.968 6.670 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.604 4.711 6.186 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.383 2.726 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.005 4.005 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.004 4.907 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.713 5.328 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.710 2.412 3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.489 3.670 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.942 2.154 5.164 1.00 0.00 H new ATOM 301 N THR A 23 -0.572 2.588 7.590 1.00 0.00 N ATOM 302 CA THR A 23 -0.534 1.566 8.629 1.00 0.00 C ATOM 303 C THR A 23 -1.083 0.240 8.115 1.00 0.00 C ATOM 304 O THR A 23 -2.224 0.163 7.660 1.00 0.00 O ATOM 305 CB THR A 23 -1.340 1.996 9.869 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.667 2.372 9.485 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.663 3.159 10.578 1.00 0.00 C ATOM 0 H THR A 23 -1.509 2.818 7.259 1.00 0.00 H new ATOM 0 HA THR A 23 0.511 1.439 8.910 1.00 0.00 H new ATOM 0 HB THR A 23 -1.387 1.150 10.555 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.316 1.909 10.055 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.251 3.445 11.450 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.336 2.860 10.895 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.589 4.007 9.897 1.00 0.00 H new ATOM 315 N PHE A 24 -0.263 -0.803 8.192 1.00 0.00 N ATOM 316 CA PHE A 24 -0.667 -2.128 7.734 1.00 0.00 C ATOM 317 C PHE A 24 -1.042 -3.020 8.914 1.00 0.00 C ATOM 318 O PHE A 24 -0.540 -2.843 10.024 1.00 0.00 O ATOM 319 CB PHE A 24 0.459 -2.777 6.927 1.00 0.00 C ATOM 320 CG PHE A 24 0.920 -1.946 5.764 1.00 0.00 C ATOM 321 CD1 PHE A 24 1.930 -1.011 5.921 1.00 0.00 C ATOM 322 CD2 PHE A 24 0.342 -2.099 4.514 1.00 0.00 C ATOM 323 CE1 PHE A 24 2.357 -0.244 4.853 1.00 0.00 C ATOM 324 CE2 PHE A 24 0.764 -1.336 3.442 1.00 0.00 C ATOM 325 CZ PHE A 24 1.772 -0.406 3.612 1.00 0.00 C ATOM 0 H PHE A 24 0.685 -0.757 8.567 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.543 -2.013 7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.306 -2.965 7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.120 -3.745 6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.389 -0.880 6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.447 -2.823 4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.146 0.480 4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.307 -1.466 2.472 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.102 0.193 2.776 1.00 0.00 H new ATOM 335 N ARG A 25 -1.929 -3.978 8.665 1.00 0.00 N ATOM 336 CA ARG A 25 -2.373 -4.897 9.706 1.00 0.00 C ATOM 337 C ARG A 25 -2.356 -6.338 9.203 1.00 0.00 C ATOM 338 O ARG A 25 -2.570 -6.595 8.018 1.00 0.00 O ATOM 339 CB ARG A 25 -3.781 -4.526 10.176 1.00 0.00 C ATOM 340 CG ARG A 25 -4.842 -4.676 9.097 1.00 0.00 C ATOM 341 CD ARG A 25 -6.233 -4.388 9.641 1.00 0.00 C ATOM 342 NE ARG A 25 -7.129 -3.875 8.608 1.00 0.00 N ATOM 343 CZ ARG A 25 -8.229 -3.178 8.869 1.00 0.00 C ATOM 344 NH1 ARG A 25 -8.567 -2.912 10.123 1.00 0.00 N ATOM 345 NH2 ARG A 25 -8.993 -2.745 7.875 1.00 0.00 N ATOM 0 H ARG A 25 -2.354 -4.138 7.752 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.683 -4.816 10.546 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.048 -5.153 11.026 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.777 -3.495 10.529 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.624 -3.996 8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.810 -5.687 8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.653 -5.300 10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.162 -3.663 10.452 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.897 -4.062 7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.982 -3.243 10.890 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.412 -2.376 10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.736 -2.947 6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.838 -2.210 8.077 1.00 0.00 H new ATOM 359 N VAL A 26 -2.100 -7.273 10.112 1.00 0.00 N ATOM 360 CA VAL A 26 -2.055 -8.688 9.761 1.00 0.00 C ATOM 361 C VAL A 26 -3.442 -9.315 9.832 1.00 0.00 C ATOM 362 O VAL A 26 -3.983 -9.530 10.916 1.00 0.00 O ATOM 363 CB VAL A 26 -1.104 -9.466 10.689 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.889 -10.879 10.170 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.222 -8.733 10.829 1.00 0.00 C ATOM 0 H VAL A 26 -1.921 -7.077 11.097 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.683 -8.749 8.738 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.562 -9.533 11.676 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.214 -11.413 10.839 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.845 -11.400 10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.453 -10.838 9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.882 -9.297 11.488 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.688 -8.633 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.048 -7.743 11.251 1.00 0.00 H new ATOM 375 N GLU A 27 -4.013 -9.608 8.667 1.00 0.00 N ATOM 376 CA GLU A 27 -5.339 -10.212 8.597 1.00 0.00 C ATOM 377 C GLU A 27 -5.295 -11.535 7.839 1.00 0.00 C ATOM 378 O GLU A 27 -5.435 -11.568 6.617 1.00 0.00 O ATOM 379 CB GLU A 27 -6.323 -9.256 7.921 1.00 0.00 C ATOM 380 CG GLU A 27 -7.760 -9.434 8.383 1.00 0.00 C ATOM 381 CD GLU A 27 -8.247 -10.863 8.238 1.00 0.00 C ATOM 382 OE1 GLU A 27 -8.463 -11.303 7.090 1.00 0.00 O ATOM 383 OE2 GLU A 27 -8.411 -11.541 9.274 1.00 0.00 O ATOM 0 H GLU A 27 -3.579 -9.437 7.760 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.675 -10.408 9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.012 -8.230 8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.276 -9.403 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.842 -9.130 9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.407 -8.773 7.807 1.00 0.00 H new ATOM 390 N GLY A 28 -5.097 -12.626 8.574 1.00 0.00 N ATOM 391 CA GLY A 28 -5.038 -13.937 7.955 1.00 0.00 C ATOM 392 C GLY A 28 -3.644 -14.286 7.471 1.00 0.00 C ATOM 393 O GLY A 28 -3.482 -14.915 6.426 1.00 0.00 O ATOM 0 H GLY A 28 -4.976 -12.625 9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.370 -14.689 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.731 -13.970 7.114 1.00 0.00 H new ATOM 397 N GLY A 29 -2.634 -13.875 8.232 1.00 0.00 N ATOM 398 CA GLY A 29 -1.261 -14.156 7.857 1.00 0.00 C ATOM 399 C GLY A 29 -0.711 -13.146 6.869 1.00 0.00 C ATOM 400 O GLY A 29 0.490 -12.881 6.847 1.00 0.00 O ATOM 0 H GLY A 29 -2.743 -13.353 9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.637 -14.162 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.203 -15.154 7.422 1.00 0.00 H new ATOM 404 N GLU A 30 -1.593 -12.583 6.049 1.00 0.00 N ATOM 405 CA GLU A 30 -1.187 -11.598 5.052 1.00 0.00 C ATOM 406 C GLU A 30 -1.341 -10.180 5.595 1.00 0.00 C ATOM 407 O GLU A 30 -2.068 -9.948 6.562 1.00 0.00 O ATOM 408 CB GLU A 30 -2.016 -11.760 3.776 1.00 0.00 C ATOM 409 CG GLU A 30 -3.510 -11.871 4.031 1.00 0.00 C ATOM 410 CD GLU A 30 -3.957 -13.301 4.265 1.00 0.00 C ATOM 411 OE1 GLU A 30 -3.270 -14.224 3.780 1.00 0.00 O ATOM 412 OE2 GLU A 30 -4.993 -13.497 4.934 1.00 0.00 O ATOM 0 H GLU A 30 -2.591 -12.791 6.055 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.136 -11.767 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.830 -10.909 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.679 -12.650 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.773 -11.266 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.052 -11.460 3.179 1.00 0.00 H new ATOM 419 N LEU A 31 -0.650 -9.235 4.967 1.00 0.00 N ATOM 420 CA LEU A 31 -0.708 -7.839 5.386 1.00 0.00 C ATOM 421 C LEU A 31 -1.769 -7.077 4.597 1.00 0.00 C ATOM 422 O LEU A 31 -2.120 -7.458 3.480 1.00 0.00 O ATOM 423 CB LEU A 31 0.657 -7.173 5.201 1.00 0.00 C ATOM 424 CG LEU A 31 1.623 -7.284 6.381 1.00 0.00 C ATOM 425 CD1 LEU A 31 3.019 -6.844 5.971 1.00 0.00 C ATOM 426 CD2 LEU A 31 1.124 -6.457 7.558 1.00 0.00 C ATOM 0 H LEU A 31 -0.043 -9.410 4.166 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.978 -7.813 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.135 -7.608 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.497 -6.116 4.986 1.00 0.00 H new ATOM 0 HG LEU A 31 1.670 -8.328 6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.693 -6.930 6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.377 -7.479 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.990 -5.808 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.824 -6.548 8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.047 -5.411 7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.144 -6.819 7.868 1.00 0.00 H new ATOM 438 N VAL A 32 -2.274 -5.998 5.185 1.00 0.00 N ATOM 439 CA VAL A 32 -3.292 -5.180 4.536 1.00 0.00 C ATOM 440 C VAL A 32 -3.257 -3.746 5.053 1.00 0.00 C ATOM 441 O VAL A 32 -3.102 -3.511 6.252 1.00 0.00 O ATOM 442 CB VAL A 32 -4.702 -5.759 4.758 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.073 -5.714 6.233 1.00 0.00 C ATOM 444 CG2 VAL A 32 -5.725 -5.006 3.920 1.00 0.00 C ATOM 0 H VAL A 32 -1.995 -5.670 6.110 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.069 -5.184 3.469 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.701 -6.802 4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.072 -6.127 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.356 -6.301 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.057 -4.681 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.716 -5.428 4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.725 -3.954 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.468 -5.096 2.865 1.00 0.00 H new ATOM 454 N ILE A 33 -3.401 -2.791 4.141 1.00 0.00 N ATOM 455 CA ILE A 33 -3.388 -1.379 4.505 1.00 0.00 C ATOM 456 C ILE A 33 -4.598 -1.020 5.360 1.00 0.00 C ATOM 457 O ILE A 33 -5.702 -0.842 4.848 1.00 0.00 O ATOM 458 CB ILE A 33 -3.369 -0.476 3.257 1.00 0.00 C ATOM 459 CG1 ILE A 33 -2.045 -0.633 2.507 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.592 0.976 3.651 1.00 0.00 C ATOM 461 CD1 ILE A 33 -2.044 0.016 1.141 1.00 0.00 C ATOM 0 H ILE A 33 -3.528 -2.969 3.145 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.477 -1.210 5.080 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.179 -0.781 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.244 -0.201 3.106 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.823 -1.694 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.576 1.602 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.558 1.074 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.802 1.294 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.074 -0.135 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.823 -0.433 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.234 1.084 1.246 1.00 0.00 H new ATOM 473 N ALA A 34 -4.381 -0.914 6.667 1.00 0.00 N ATOM 474 CA ALA A 34 -5.452 -0.572 7.594 1.00 0.00 C ATOM 475 C ALA A 34 -5.883 0.881 7.424 1.00 0.00 C ATOM 476 O ALA A 34 -7.068 1.173 7.270 1.00 0.00 O ATOM 477 CB ALA A 34 -5.013 -0.830 9.028 1.00 0.00 C ATOM 0 H ALA A 34 -3.473 -1.060 7.107 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.309 -1.207 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.823 -0.570 9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.763 -1.884 9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.138 -0.221 9.256 1.00 0.00 H new ATOM 483 N ARG A 35 -4.912 1.788 7.455 1.00 0.00 N ATOM 484 CA ARG A 35 -5.191 3.211 7.306 1.00 0.00 C ATOM 485 C ARG A 35 -4.064 3.910 6.551 1.00 0.00 C ATOM 486 O ARG A 35 -2.966 3.370 6.416 1.00 0.00 O ATOM 487 CB ARG A 35 -5.380 3.862 8.678 1.00 0.00 C ATOM 488 CG ARG A 35 -5.089 5.353 8.690 1.00 0.00 C ATOM 489 CD ARG A 35 -5.259 5.943 10.081 1.00 0.00 C ATOM 490 NE ARG A 35 -5.676 7.342 10.036 1.00 0.00 N ATOM 491 CZ ARG A 35 -5.707 8.134 11.101 1.00 0.00 C ATOM 492 NH1 ARG A 35 -5.345 7.669 12.288 1.00 0.00 N ATOM 493 NH2 ARG A 35 -6.099 9.396 10.979 1.00 0.00 N ATOM 0 H ARG A 35 -3.925 1.563 7.582 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.111 3.317 6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.405 3.698 9.010 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.728 3.367 9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.072 5.529 8.341 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.757 5.861 7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.998 5.362 10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.319 5.863 10.626 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.959 7.732 9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.041 6.700 12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.370 8.280 13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.377 9.758 10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.123 10.004 11.798 1.00 0.00 H new ATOM 507 N ILE A 36 -4.345 5.112 6.060 1.00 0.00 N ATOM 508 CA ILE A 36 -3.355 5.885 5.319 1.00 0.00 C ATOM 509 C ILE A 36 -3.278 7.318 5.835 1.00 0.00 C ATOM 510 O ILE A 36 -4.174 8.127 5.590 1.00 0.00 O ATOM 511 CB ILE A 36 -3.674 5.910 3.812 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.587 4.499 3.227 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.724 6.851 3.086 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.274 4.357 1.887 1.00 0.00 C ATOM 0 H ILE A 36 -5.250 5.572 6.162 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.393 5.395 5.471 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.691 6.277 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.538 4.223 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.031 3.795 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.961 6.858 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.831 7.858 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.698 6.512 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.172 3.331 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.331 4.601 1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.815 5.036 1.169 1.00 0.00 H new ATOM 526 N LEU A 37 -2.201 7.626 6.549 1.00 0.00 N ATOM 527 CA LEU A 37 -2.004 8.963 7.099 1.00 0.00 C ATOM 528 C LEU A 37 -2.114 10.022 6.007 1.00 0.00 C ATOM 529 O LEU A 37 -1.399 9.972 5.005 1.00 0.00 O ATOM 530 CB LEU A 37 -0.639 9.059 7.783 1.00 0.00 C ATOM 531 CG LEU A 37 -0.598 8.656 9.257 1.00 0.00 C ATOM 532 CD1 LEU A 37 -1.607 9.463 10.059 1.00 0.00 C ATOM 533 CD2 LEU A 37 -0.862 7.165 9.411 1.00 0.00 C ATOM 0 H LEU A 37 -1.451 6.968 6.761 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.786 9.145 7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.064 8.432 7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.283 10.086 7.698 1.00 0.00 H new ATOM 0 HG LEU A 37 0.398 8.870 9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.564 9.163 11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.373 10.524 9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.609 9.281 9.671 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.829 6.897 10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.846 6.926 9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.101 6.603 8.870 1.00 0.00 H new ATOM 545 N HIS A 38 -3.012 10.981 6.208 1.00 0.00 N ATOM 546 CA HIS A 38 -3.213 12.055 5.241 1.00 0.00 C ATOM 547 C HIS A 38 -1.925 12.846 5.032 1.00 0.00 C ATOM 548 O HIS A 38 -1.196 13.127 5.983 1.00 0.00 O ATOM 549 CB HIS A 38 -4.329 12.989 5.710 1.00 0.00 C ATOM 550 CG HIS A 38 -3.880 13.999 6.720 1.00 0.00 C ATOM 551 ND1 HIS A 38 -3.012 15.029 6.421 1.00 0.00 N ATOM 552 CD2 HIS A 38 -4.184 14.136 8.032 1.00 0.00 C ATOM 553 CE1 HIS A 38 -2.801 15.753 7.505 1.00 0.00 C ATOM 554 NE2 HIS A 38 -3.501 15.232 8.497 1.00 0.00 N ATOM 0 H HIS A 38 -3.612 11.037 7.031 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.501 11.606 4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.742 13.510 4.846 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.135 12.393 6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.842 13.501 8.606 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.164 16.623 7.570 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.529 15.587 9.453 1.00 0.00 H new ATOM 563 N GLY A 39 -1.651 13.203 3.781 1.00 0.00 N ATOM 564 CA GLY A 39 -0.451 13.957 3.470 1.00 0.00 C ATOM 565 C GLY A 39 0.768 13.070 3.315 1.00 0.00 C ATOM 566 O GLY A 39 1.757 13.232 4.028 1.00 0.00 O ATOM 0 H GLY A 39 -2.239 12.983 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.607 14.519 2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.268 14.685 4.260 1.00 0.00 H new ATOM 570 N GLY A 40 0.696 12.126 2.382 1.00 0.00 N ATOM 571 CA GLY A 40 1.808 11.222 2.154 1.00 0.00 C ATOM 572 C GLY A 40 1.839 10.686 0.736 1.00 0.00 C ATOM 573 O GLY A 40 0.886 10.862 -0.022 1.00 0.00 O ATOM 0 H GLY A 40 -0.113 11.971 1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.743 11.741 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.743 10.388 2.853 1.00 0.00 H new ATOM 577 N MET A 41 2.939 10.032 0.377 1.00 0.00 N ATOM 578 CA MET A 41 3.090 9.469 -0.960 1.00 0.00 C ATOM 579 C MET A 41 1.777 8.865 -1.448 1.00 0.00 C ATOM 580 O MET A 41 1.100 9.435 -2.303 1.00 0.00 O ATOM 581 CB MET A 41 4.188 8.404 -0.968 1.00 0.00 C ATOM 582 CG MET A 41 4.260 7.615 -2.264 1.00 0.00 C ATOM 583 SD MET A 41 5.286 8.418 -3.511 1.00 0.00 S ATOM 584 CE MET A 41 6.870 8.452 -2.675 1.00 0.00 C ATOM 0 H MET A 41 3.738 9.879 0.992 1.00 0.00 H new ATOM 0 HA MET A 41 3.372 10.276 -1.636 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.150 8.885 -0.791 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.019 7.714 -0.141 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.657 6.621 -2.058 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.253 7.481 -2.659 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.672 8.418 -3.413 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.953 9.368 -2.090 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.950 7.590 -2.012 1.00 0.00 H new ATOM 594 N VAL A 42 1.422 7.708 -0.898 1.00 0.00 N ATOM 595 CA VAL A 42 0.189 7.028 -1.276 1.00 0.00 C ATOM 596 C VAL A 42 -0.940 8.025 -1.506 1.00 0.00 C ATOM 597 O VAL A 42 -1.475 8.129 -2.610 1.00 0.00 O ATOM 598 CB VAL A 42 -0.246 6.015 -0.200 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.554 5.347 -0.594 1.00 0.00 C ATOM 600 CG2 VAL A 42 0.844 4.979 0.027 1.00 0.00 C ATOM 0 H VAL A 42 1.971 7.222 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 42 0.393 6.495 -2.205 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.407 6.551 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.846 4.635 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.331 6.104 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.424 4.823 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.520 4.271 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.038 4.446 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.756 5.477 0.357 1.00 0.00 H new ATOM 610 N ALA A 43 -1.299 8.757 -0.457 1.00 0.00 N ATOM 611 CA ALA A 43 -2.364 9.749 -0.545 1.00 0.00 C ATOM 612 C ALA A 43 -2.241 10.575 -1.820 1.00 0.00 C ATOM 613 O ALA A 43 -3.185 10.667 -2.604 1.00 0.00 O ATOM 614 CB ALA A 43 -2.344 10.655 0.677 1.00 0.00 C ATOM 0 H ALA A 43 -0.868 8.682 0.464 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.317 9.221 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.144 11.391 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.489 10.056 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.384 11.168 0.734 1.00 0.00 H new ATOM 620 N GLN A 44 -1.071 11.173 -2.022 1.00 0.00 N ATOM 621 CA GLN A 44 -0.826 11.993 -3.202 1.00 0.00 C ATOM 622 C GLN A 44 -1.110 11.208 -4.479 1.00 0.00 C ATOM 623 O GLN A 44 -1.969 11.588 -5.274 1.00 0.00 O ATOM 624 CB GLN A 44 0.618 12.496 -3.209 1.00 0.00 C ATOM 625 CG GLN A 44 0.945 13.423 -2.050 1.00 0.00 C ATOM 626 CD GLN A 44 2.259 14.156 -2.241 1.00 0.00 C ATOM 627 OE1 GLN A 44 2.290 15.273 -2.757 1.00 0.00 O ATOM 628 NE2 GLN A 44 3.352 13.529 -1.824 1.00 0.00 N ATOM 0 H GLN A 44 -0.278 11.105 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.501 12.848 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.292 11.640 -3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.807 13.019 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.141 14.150 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.987 12.844 -1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.279 12.603 -1.402 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.265 13.973 -1.926 1.00 0.00 H new ATOM 637 N GLN A 45 -0.382 10.112 -4.667 1.00 0.00 N ATOM 638 CA GLN A 45 -0.556 9.274 -5.848 1.00 0.00 C ATOM 639 C GLN A 45 -2.030 8.964 -6.084 1.00 0.00 C ATOM 640 O GLN A 45 -2.623 9.422 -7.060 1.00 0.00 O ATOM 641 CB GLN A 45 0.233 7.972 -5.696 1.00 0.00 C ATOM 642 CG GLN A 45 1.663 8.065 -6.203 1.00 0.00 C ATOM 643 CD GLN A 45 1.740 8.444 -7.669 1.00 0.00 C ATOM 644 OE1 GLN A 45 0.783 8.257 -8.421 1.00 0.00 O ATOM 645 NE2 GLN A 45 2.881 8.980 -8.083 1.00 0.00 N ATOM 0 H GLN A 45 0.333 9.784 -4.018 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.177 9.822 -6.710 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.247 7.686 -4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.284 7.178 -6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.206 8.802 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.161 7.107 -6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.648 9.117 -7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.991 9.255 -9.059 1.00 0.00 H new ATOM 654 N GLY A 46 -2.617 8.182 -5.183 1.00 0.00 N ATOM 655 CA GLY A 46 -4.018 7.824 -5.311 1.00 0.00 C ATOM 656 C GLY A 46 -4.215 6.503 -6.027 1.00 0.00 C ATOM 657 O GLY A 46 -5.169 6.336 -6.788 1.00 0.00 O ATOM 0 H GLY A 46 -2.147 7.790 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.467 7.767 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.543 8.610 -5.854 1.00 0.00 H new ATOM 661 N LEU A 47 -3.311 5.560 -5.785 1.00 0.00 N ATOM 662 CA LEU A 47 -3.388 4.246 -6.414 1.00 0.00 C ATOM 663 C LEU A 47 -3.795 3.181 -5.401 1.00 0.00 C ATOM 664 O LEU A 47 -4.551 2.262 -5.720 1.00 0.00 O ATOM 665 CB LEU A 47 -2.043 3.880 -7.043 1.00 0.00 C ATOM 666 CG LEU A 47 -1.413 4.941 -7.946 1.00 0.00 C ATOM 667 CD1 LEU A 47 -0.022 4.511 -8.385 1.00 0.00 C ATOM 668 CD2 LEU A 47 -2.298 5.205 -9.156 1.00 0.00 C ATOM 0 H LEU A 47 -2.516 5.681 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.147 4.288 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.341 3.650 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.173 2.967 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.322 5.867 -7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.410 5.279 -9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.610 4.373 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.088 3.573 -8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.834 5.963 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.421 4.283 -9.725 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.274 5.558 -8.823 1.00 0.00 H new ATOM 680 N LEU A 48 -3.292 3.312 -4.178 1.00 0.00 N ATOM 681 CA LEU A 48 -3.605 2.362 -3.116 1.00 0.00 C ATOM 682 C LEU A 48 -4.682 2.916 -2.189 1.00 0.00 C ATOM 683 O LEU A 48 -5.035 4.094 -2.265 1.00 0.00 O ATOM 684 CB LEU A 48 -2.346 2.031 -2.313 1.00 0.00 C ATOM 685 CG LEU A 48 -1.114 1.637 -3.128 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.159 2.040 -2.401 1.00 0.00 C ATOM 687 CD2 LEU A 48 -1.118 0.142 -3.411 1.00 0.00 C ATOM 0 H LEU A 48 -2.666 4.067 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.984 1.450 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.091 2.897 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.580 1.216 -1.628 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.147 2.167 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.025 1.751 -2.997 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.166 3.120 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.200 1.538 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.234 -0.121 -3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.109 -0.407 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.014 -0.119 -3.975 1.00 0.00 H new ATOM 699 N HIS A 49 -5.200 2.061 -1.313 1.00 0.00 N ATOM 700 CA HIS A 49 -6.235 2.466 -0.369 1.00 0.00 C ATOM 701 C HIS A 49 -6.507 1.361 0.646 1.00 0.00 C ATOM 702 O HIS A 49 -6.144 0.204 0.432 1.00 0.00 O ATOM 703 CB HIS A 49 -7.523 2.821 -1.113 1.00 0.00 C ATOM 704 CG HIS A 49 -7.612 4.264 -1.503 1.00 0.00 C ATOM 705 ND1 HIS A 49 -7.611 5.293 -0.586 1.00 0.00 N ATOM 706 CD2 HIS A 49 -7.702 4.847 -2.721 1.00 0.00 C ATOM 707 CE1 HIS A 49 -7.699 6.447 -1.222 1.00 0.00 C ATOM 708 NE2 HIS A 49 -7.755 6.205 -2.519 1.00 0.00 N ATOM 0 H HIS A 49 -4.920 1.083 -1.237 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.880 3.347 0.166 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.596 2.206 -2.010 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.377 2.570 -0.484 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.727 4.339 -3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.721 7.423 -0.760 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.826 6.911 -3.252 1.00 0.00 H new ATOM 717 N VAL A 50 -7.149 1.724 1.752 1.00 0.00 N ATOM 718 CA VAL A 50 -7.470 0.763 2.800 1.00 0.00 C ATOM 719 C VAL A 50 -8.128 -0.484 2.220 1.00 0.00 C ATOM 720 O VAL A 50 -9.274 -0.444 1.774 1.00 0.00 O ATOM 721 CB VAL A 50 -8.406 1.378 3.858 1.00 0.00 C ATOM 722 CG1 VAL A 50 -8.796 0.337 4.896 1.00 0.00 C ATOM 723 CG2 VAL A 50 -7.746 2.579 4.518 1.00 0.00 C ATOM 0 H VAL A 50 -7.457 2.677 1.945 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.528 0.486 3.274 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.314 1.718 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.457 0.790 5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.311 -0.490 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.900 -0.036 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.421 3.001 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.821 2.265 5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.522 3.332 3.762 1.00 0.00 H new ATOM 733 N GLY A 51 -7.394 -1.593 2.229 1.00 0.00 N ATOM 734 CA GLY A 51 -7.923 -2.837 1.701 1.00 0.00 C ATOM 735 C GLY A 51 -7.048 -3.421 0.609 1.00 0.00 C ATOM 736 O GLY A 51 -7.533 -4.139 -0.265 1.00 0.00 O ATOM 0 H GLY A 51 -6.443 -1.652 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.020 -3.560 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.924 -2.664 1.307 1.00 0.00 H new ATOM 740 N ASP A 52 -5.757 -3.113 0.659 1.00 0.00 N ATOM 741 CA ASP A 52 -4.813 -3.612 -0.333 1.00 0.00 C ATOM 742 C ASP A 52 -3.751 -4.491 0.320 1.00 0.00 C ATOM 743 O ASP A 52 -3.011 -4.039 1.195 1.00 0.00 O ATOM 744 CB ASP A 52 -4.147 -2.447 -1.067 1.00 0.00 C ATOM 745 CG ASP A 52 -4.953 -1.979 -2.263 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.818 -1.096 -2.087 1.00 0.00 O ATOM 747 OD2 ASP A 52 -4.720 -2.497 -3.375 1.00 0.00 O ATOM 0 H ASP A 52 -5.340 -2.520 1.376 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.366 -4.216 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.012 -1.615 -0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.154 -2.750 -1.398 1.00 0.00 H new ATOM 752 N ILE A 53 -3.683 -5.746 -0.109 1.00 0.00 N ATOM 753 CA ILE A 53 -2.712 -6.687 0.435 1.00 0.00 C ATOM 754 C ILE A 53 -1.415 -6.665 -0.368 1.00 0.00 C ATOM 755 O ILE A 53 -1.436 -6.654 -1.599 1.00 0.00 O ATOM 756 CB ILE A 53 -3.268 -8.124 0.451 1.00 0.00 C ATOM 757 CG1 ILE A 53 -4.554 -8.187 1.278 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.228 -9.087 1.004 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.247 -9.529 1.215 1.00 0.00 C ATOM 0 H ILE A 53 -4.289 -6.135 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.508 -6.373 1.459 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.502 -8.420 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.320 -7.957 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.240 -7.416 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.635 -10.098 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.336 -9.058 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.967 -8.796 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.150 -9.501 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.513 -9.753 0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.578 -10.302 1.593 1.00 0.00 H new ATOM 771 N ILE A 54 -0.289 -6.660 0.338 1.00 0.00 N ATOM 772 CA ILE A 54 1.017 -6.642 -0.309 1.00 0.00 C ATOM 773 C ILE A 54 1.709 -7.995 -0.187 1.00 0.00 C ATOM 774 O ILE A 54 2.157 -8.381 0.893 1.00 0.00 O ATOM 775 CB ILE A 54 1.928 -5.555 0.291 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.207 -4.206 0.307 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.227 -5.459 -0.495 1.00 0.00 C ATOM 778 CD1 ILE A 54 2.022 -3.093 0.929 1.00 0.00 C ATOM 0 H ILE A 54 -0.255 -6.668 1.357 1.00 0.00 H new ATOM 0 HA ILE A 54 0.845 -6.418 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 54 2.168 -5.829 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.949 -3.929 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.271 -4.310 0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.860 -4.686 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.746 -6.417 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.007 -5.205 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.449 -2.166 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.258 -3.349 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.947 -2.962 0.367 1.00 0.00 H new ATOM 790 N LYS A 55 1.796 -8.712 -1.303 1.00 0.00 N ATOM 791 CA LYS A 55 2.436 -10.022 -1.323 1.00 0.00 C ATOM 792 C LYS A 55 3.955 -9.885 -1.270 1.00 0.00 C ATOM 793 O LYS A 55 4.581 -10.209 -0.262 1.00 0.00 O ATOM 794 CB LYS A 55 2.027 -10.793 -2.580 1.00 0.00 C ATOM 795 CG LYS A 55 0.780 -11.641 -2.394 1.00 0.00 C ATOM 796 CD LYS A 55 1.107 -12.980 -1.755 1.00 0.00 C ATOM 797 CE LYS A 55 1.478 -14.021 -2.801 1.00 0.00 C ATOM 798 NZ LYS A 55 2.918 -13.946 -3.172 1.00 0.00 N ATOM 0 H LYS A 55 1.431 -8.407 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 55 2.107 -10.574 -0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.857 -10.085 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.852 -11.437 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.064 -11.105 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.303 -11.805 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.932 -12.858 -1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.249 -13.329 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.253 -15.016 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.866 -13.876 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.251 -14.887 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.039 -13.277 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.471 -13.621 -2.353 1.00 0.00 H new ATOM 812 N GLU A 56 4.540 -9.402 -2.362 1.00 0.00 N ATOM 813 CA GLU A 56 5.985 -9.223 -2.438 1.00 0.00 C ATOM 814 C GLU A 56 6.334 -7.806 -2.885 1.00 0.00 C ATOM 815 O GLU A 56 5.511 -7.110 -3.479 1.00 0.00 O ATOM 816 CB GLU A 56 6.597 -10.240 -3.404 1.00 0.00 C ATOM 817 CG GLU A 56 8.019 -10.639 -3.046 1.00 0.00 C ATOM 818 CD GLU A 56 8.072 -11.835 -2.115 1.00 0.00 C ATOM 819 OE1 GLU A 56 7.105 -12.625 -2.108 1.00 0.00 O ATOM 820 OE2 GLU A 56 9.081 -11.980 -1.394 1.00 0.00 O ATOM 0 H GLU A 56 4.036 -9.128 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 56 6.399 -9.384 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.972 -11.133 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.588 -9.823 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.569 -10.869 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.522 -9.794 -2.575 1.00 0.00 H new ATOM 827 N VAL A 57 7.561 -7.386 -2.594 1.00 0.00 N ATOM 828 CA VAL A 57 8.022 -6.053 -2.965 1.00 0.00 C ATOM 829 C VAL A 57 9.348 -6.119 -3.714 1.00 0.00 C ATOM 830 O VAL A 57 10.383 -6.448 -3.136 1.00 0.00 O ATOM 831 CB VAL A 57 8.187 -5.152 -1.727 1.00 0.00 C ATOM 832 CG1 VAL A 57 9.111 -5.805 -0.711 1.00 0.00 C ATOM 833 CG2 VAL A 57 8.710 -3.782 -2.132 1.00 0.00 C ATOM 0 H VAL A 57 8.254 -7.950 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 57 7.261 -5.625 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 57 7.210 -5.020 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.216 -5.154 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.691 -6.761 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.090 -5.969 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.821 -3.158 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.678 -3.892 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.007 -3.313 -2.820 1.00 0.00 H new ATOM 843 N ASN A 58 9.309 -5.802 -5.004 1.00 0.00 N ATOM 844 CA ASN A 58 10.508 -5.824 -5.833 1.00 0.00 C ATOM 845 C ASN A 58 11.289 -7.119 -5.626 1.00 0.00 C ATOM 846 O ASN A 58 12.511 -7.148 -5.762 1.00 0.00 O ATOM 847 CB ASN A 58 11.398 -4.622 -5.512 1.00 0.00 C ATOM 848 CG ASN A 58 11.922 -4.654 -4.089 1.00 0.00 C ATOM 849 OD1 ASN A 58 12.685 -5.546 -3.717 1.00 0.00 O ATOM 850 ND2 ASN A 58 11.513 -3.679 -3.286 1.00 0.00 N ATOM 0 H ASN A 58 8.460 -5.527 -5.498 1.00 0.00 H new ATOM 0 HA ASN A 58 10.199 -5.770 -6.877 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.239 -4.600 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.833 -3.703 -5.668 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.832 -3.648 -2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.880 -2.960 -3.638 1.00 0.00 H new ATOM 857 N GLY A 59 10.572 -8.189 -5.296 1.00 0.00 N ATOM 858 CA GLY A 59 11.214 -9.472 -5.075 1.00 0.00 C ATOM 859 C GLY A 59 11.754 -9.616 -3.666 1.00 0.00 C ATOM 860 O GLY A 59 12.864 -10.108 -3.468 1.00 0.00 O ATOM 0 H GLY A 59 9.559 -8.190 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.499 -10.271 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.030 -9.594 -5.788 1.00 0.00 H new ATOM 864 N GLN A 60 10.967 -9.184 -2.686 1.00 0.00 N ATOM 865 CA GLN A 60 11.374 -9.265 -1.288 1.00 0.00 C ATOM 866 C GLN A 60 10.168 -9.488 -0.382 1.00 0.00 C ATOM 867 O GLN A 60 9.092 -8.928 -0.591 1.00 0.00 O ATOM 868 CB GLN A 60 12.110 -7.990 -0.874 1.00 0.00 C ATOM 869 CG GLN A 60 13.594 -8.009 -1.203 1.00 0.00 C ATOM 870 CD GLN A 60 14.203 -6.621 -1.236 1.00 0.00 C ATOM 871 OE1 GLN A 60 13.493 -5.622 -1.353 1.00 0.00 O ATOM 872 NE2 GLN A 60 15.525 -6.552 -1.133 1.00 0.00 N ATOM 0 H GLN A 60 10.045 -8.775 -2.834 1.00 0.00 H new ATOM 0 HA GLN A 60 12.048 -10.115 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.648 -7.136 -1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.986 -7.841 0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.118 -8.614 -0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.742 -8.489 -2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.074 -7.406 -1.038 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.991 -5.645 -1.149 1.00 0.00 H new ATOM 881 N PRO A 61 10.350 -10.325 0.650 1.00 0.00 N ATOM 882 CA PRO A 61 9.287 -10.641 1.610 1.00 0.00 C ATOM 883 C PRO A 61 8.944 -9.455 2.505 1.00 0.00 C ATOM 884 O PRO A 61 9.780 -8.983 3.276 1.00 0.00 O ATOM 885 CB PRO A 61 9.885 -11.781 2.438 1.00 0.00 C ATOM 886 CG PRO A 61 11.359 -11.595 2.331 1.00 0.00 C ATOM 887 CD PRO A 61 11.606 -11.028 0.960 1.00 0.00 C ATOM 0 HA PRO A 61 8.352 -10.902 1.113 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.554 -11.732 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.580 -12.753 2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.724 -10.919 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.882 -12.542 2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.459 -10.349 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.818 -11.812 0.233 1.00 0.00 H new ATOM 895 N VAL A 62 7.708 -8.978 2.399 1.00 0.00 N ATOM 896 CA VAL A 62 7.253 -7.848 3.201 1.00 0.00 C ATOM 897 C VAL A 62 7.356 -8.154 4.690 1.00 0.00 C ATOM 898 O VAL A 62 7.600 -7.263 5.503 1.00 0.00 O ATOM 899 CB VAL A 62 5.798 -7.470 2.865 1.00 0.00 C ATOM 900 CG1 VAL A 62 5.707 -6.888 1.463 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.888 -8.681 3.008 1.00 0.00 C ATOM 0 H VAL A 62 7.004 -9.356 1.766 1.00 0.00 H new ATOM 0 HA VAL A 62 7.904 -7.007 2.960 1.00 0.00 H new ATOM 0 HB VAL A 62 5.466 -6.708 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.672 -6.627 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.328 -5.994 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.056 -7.625 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.864 -8.397 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.217 -9.466 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.931 -9.049 4.033 1.00 0.00 H new ATOM 911 N GLY A 63 7.169 -9.422 5.043 1.00 0.00 N ATOM 912 CA GLY A 63 7.245 -9.824 6.435 1.00 0.00 C ATOM 913 C GLY A 63 5.961 -9.544 7.191 1.00 0.00 C ATOM 914 O GLY A 63 5.560 -8.390 7.340 1.00 0.00 O ATOM 0 H GLY A 63 6.966 -10.178 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.471 -10.889 6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.069 -9.298 6.917 1.00 0.00 H new ATOM 918 N SER A 64 5.314 -10.603 7.667 1.00 0.00 N ATOM 919 CA SER A 64 4.064 -10.466 8.407 1.00 0.00 C ATOM 920 C SER A 64 4.069 -9.195 9.250 1.00 0.00 C ATOM 921 O SER A 64 3.087 -8.453 9.282 1.00 0.00 O ATOM 922 CB SER A 64 3.841 -11.685 9.303 1.00 0.00 C ATOM 923 OG SER A 64 4.916 -11.855 10.211 1.00 0.00 O ATOM 0 H SER A 64 5.634 -11.565 7.554 1.00 0.00 H new ATOM 0 HA SER A 64 3.249 -10.400 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.909 -11.568 9.856 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.736 -12.578 8.687 1.00 0.00 H new ATOM 0 HG SER A 64 4.748 -12.640 10.773 1.00 0.00 H new ATOM 929 N ASP A 65 5.182 -8.950 9.933 1.00 0.00 N ATOM 930 CA ASP A 65 5.317 -7.768 10.777 1.00 0.00 C ATOM 931 C ASP A 65 4.986 -6.501 9.995 1.00 0.00 C ATOM 932 O ASP A 65 5.745 -6.058 9.132 1.00 0.00 O ATOM 933 CB ASP A 65 6.735 -7.677 11.342 1.00 0.00 C ATOM 934 CG ASP A 65 7.161 -8.952 12.044 1.00 0.00 C ATOM 935 OD1 ASP A 65 7.332 -9.979 11.355 1.00 0.00 O ATOM 936 OD2 ASP A 65 7.323 -8.922 13.282 1.00 0.00 O ATOM 0 H ASP A 65 6.004 -9.554 9.919 1.00 0.00 H new ATOM 0 HA ASP A 65 4.611 -7.859 11.602 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.432 -7.461 10.533 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.791 -6.844 12.042 1.00 0.00 H new ATOM 941 N PRO A 66 3.825 -5.903 10.300 1.00 0.00 N ATOM 942 CA PRO A 66 3.366 -4.679 9.637 1.00 0.00 C ATOM 943 C PRO A 66 4.205 -3.464 10.018 1.00 0.00 C ATOM 944 O PRO A 66 4.655 -2.712 9.152 1.00 0.00 O ATOM 945 CB PRO A 66 1.931 -4.517 10.143 1.00 0.00 C ATOM 946 CG PRO A 66 1.909 -5.227 11.452 1.00 0.00 C ATOM 947 CD PRO A 66 2.870 -6.375 11.317 1.00 0.00 C ATOM 0 HA PRO A 66 3.444 -4.750 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.668 -3.465 10.258 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.214 -4.950 9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.208 -4.561 12.262 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.906 -5.583 11.686 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.366 -6.597 12.262 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.364 -7.287 11.001 1.00 0.00 H new ATOM 955 N ARG A 67 4.412 -3.277 11.317 1.00 0.00 N ATOM 956 CA ARG A 67 5.196 -2.152 11.812 1.00 0.00 C ATOM 957 C ARG A 67 6.603 -2.169 11.222 1.00 0.00 C ATOM 958 O ARG A 67 7.208 -1.120 11.003 1.00 0.00 O ATOM 959 CB ARG A 67 5.272 -2.188 13.340 1.00 0.00 C ATOM 960 CG ARG A 67 3.916 -2.327 14.013 1.00 0.00 C ATOM 961 CD ARG A 67 3.962 -1.854 15.458 1.00 0.00 C ATOM 962 NE ARG A 67 5.078 -2.443 16.192 1.00 0.00 N ATOM 963 CZ ARG A 67 5.196 -2.393 17.514 1.00 0.00 C ATOM 964 NH1 ARG A 67 4.271 -1.786 18.243 1.00 0.00 N ATOM 965 NH2 ARG A 67 6.242 -2.953 18.109 1.00 0.00 N ATOM 0 H ARG A 67 4.048 -3.890 12.046 1.00 0.00 H new ATOM 0 HA ARG A 67 4.701 -1.232 11.501 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.907 -3.020 13.644 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.752 -1.275 13.693 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.174 -1.748 13.463 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.597 -3.369 13.980 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.046 -0.768 15.481 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.026 -2.112 15.954 1.00 0.00 H new ATOM 0 HE ARG A 67 5.807 -2.919 15.661 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.465 -1.355 17.789 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.365 -1.749 19.258 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.956 -3.422 17.551 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.332 -2.914 19.124 1.00 0.00 H new ATOM 979 N ALA A 68 7.118 -3.368 10.968 1.00 0.00 N ATOM 980 CA ALA A 68 8.453 -3.522 10.402 1.00 0.00 C ATOM 981 C ALA A 68 8.446 -3.258 8.900 1.00 0.00 C ATOM 982 O ALA A 68 9.447 -2.821 8.331 1.00 0.00 O ATOM 983 CB ALA A 68 8.992 -4.914 10.693 1.00 0.00 C ATOM 0 H ALA A 68 6.631 -4.247 11.145 1.00 0.00 H new ATOM 0 HA ALA A 68 9.107 -2.786 10.870 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.989 -5.015 10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.043 -5.066 11.771 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.331 -5.660 10.252 1.00 0.00 H new ATOM 989 N LEU A 69 7.312 -3.528 8.262 1.00 0.00 N ATOM 990 CA LEU A 69 7.176 -3.320 6.824 1.00 0.00 C ATOM 991 C LEU A 69 7.330 -1.845 6.470 1.00 0.00 C ATOM 992 O LEU A 69 8.113 -1.487 5.591 1.00 0.00 O ATOM 993 CB LEU A 69 5.817 -3.833 6.342 1.00 0.00 C ATOM 994 CG LEU A 69 5.248 -3.154 5.096 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.068 -3.518 3.868 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.789 -3.540 4.899 1.00 0.00 C ATOM 0 H LEU A 69 6.474 -3.891 8.717 1.00 0.00 H new ATOM 0 HA LEU A 69 7.967 -3.879 6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.904 -4.901 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.099 -3.718 7.154 1.00 0.00 H new ATOM 0 HG LEU A 69 5.302 -2.074 5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.648 -3.026 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.098 -3.192 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.046 -4.598 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.400 -3.048 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.711 -4.621 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.210 -3.228 5.768 1.00 0.00 H new ATOM 1008 N GLN A 70 6.579 -0.994 7.162 1.00 0.00 N ATOM 1009 CA GLN A 70 6.634 0.443 6.921 1.00 0.00 C ATOM 1010 C GLN A 70 8.068 0.956 7.008 1.00 0.00 C ATOM 1011 O GLN A 70 8.404 1.988 6.430 1.00 0.00 O ATOM 1012 CB GLN A 70 5.753 1.185 7.927 1.00 0.00 C ATOM 1013 CG GLN A 70 4.265 0.949 7.723 1.00 0.00 C ATOM 1014 CD GLN A 70 3.432 1.420 8.898 1.00 0.00 C ATOM 1015 OE1 GLN A 70 3.502 2.583 9.297 1.00 0.00 O ATOM 1016 NE2 GLN A 70 2.637 0.518 9.461 1.00 0.00 N ATOM 0 H GLN A 70 5.926 -1.275 7.893 1.00 0.00 H new ATOM 0 HA GLN A 70 6.261 0.631 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.027 0.875 8.935 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.956 2.254 7.856 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.939 1.467 6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.089 -0.114 7.561 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.610 -0.435 9.098 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.053 0.778 10.256 1.00 0.00 H new ATOM 1025 N GLU A 71 8.908 0.226 7.736 1.00 0.00 N ATOM 1026 CA GLU A 71 10.306 0.609 7.900 1.00 0.00 C ATOM 1027 C GLU A 71 11.139 0.148 6.708 1.00 0.00 C ATOM 1028 O GLU A 71 12.095 0.815 6.308 1.00 0.00 O ATOM 1029 CB GLU A 71 10.872 0.016 9.192 1.00 0.00 C ATOM 1030 CG GLU A 71 12.351 0.298 9.394 1.00 0.00 C ATOM 1031 CD GLU A 71 12.781 0.150 10.841 1.00 0.00 C ATOM 1032 OE1 GLU A 71 12.683 1.140 11.594 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.215 -0.959 11.219 1.00 0.00 O ATOM 0 H GLU A 71 8.645 -0.632 8.221 1.00 0.00 H new ATOM 0 HA GLU A 71 10.354 1.696 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.315 0.416 10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.714 -1.062 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.935 -0.382 8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.574 1.309 9.054 1.00 0.00 H new ATOM 1040 N LEU A 72 10.772 -0.998 6.144 1.00 0.00 N ATOM 1041 CA LEU A 72 11.485 -1.550 4.997 1.00 0.00 C ATOM 1042 C LEU A 72 11.491 -0.563 3.834 1.00 0.00 C ATOM 1043 O LEU A 72 12.503 -0.400 3.150 1.00 0.00 O ATOM 1044 CB LEU A 72 10.844 -2.868 4.560 1.00 0.00 C ATOM 1045 CG LEU A 72 9.770 -2.765 3.477 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.405 -2.526 2.116 1.00 0.00 C ATOM 1047 CD2 LEU A 72 8.914 -4.023 3.454 1.00 0.00 C ATOM 0 H LEU A 72 9.985 -1.563 6.462 1.00 0.00 H new ATOM 0 HA LEU A 72 12.516 -1.737 5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.632 -3.530 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.403 -3.343 5.437 1.00 0.00 H new ATOM 0 HG LEU A 72 9.127 -1.916 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.625 -2.455 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.974 -1.597 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.071 -3.354 1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.155 -3.932 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.544 -4.888 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.429 -4.151 4.422 1.00 0.00 H new ATOM 1059 N LEU A 73 10.357 0.093 3.616 1.00 0.00 N ATOM 1060 CA LEU A 73 10.232 1.066 2.536 1.00 0.00 C ATOM 1061 C LEU A 73 11.164 2.253 2.762 1.00 0.00 C ATOM 1062 O LEU A 73 11.878 2.676 1.853 1.00 0.00 O ATOM 1063 CB LEU A 73 8.786 1.552 2.425 1.00 0.00 C ATOM 1064 CG LEU A 73 7.774 0.533 1.901 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.397 0.796 2.491 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.721 0.568 0.381 1.00 0.00 C ATOM 0 H LEU A 73 9.511 -0.031 4.172 1.00 0.00 H new ATOM 0 HA LEU A 73 10.516 0.576 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.459 1.885 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.766 2.424 1.771 1.00 0.00 H new ATOM 0 HG LEU A 73 8.095 -0.462 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.690 0.061 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.446 0.719 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.067 1.797 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.996 -0.164 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.425 1.563 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.705 0.329 -0.023 1.00 0.00 H new ATOM 1078 N ARG A 74 11.151 2.785 3.980 1.00 0.00 N ATOM 1079 CA ARG A 74 11.996 3.922 4.325 1.00 0.00 C ATOM 1080 C ARG A 74 13.384 3.775 3.710 1.00 0.00 C ATOM 1081 O ARG A 74 13.889 4.694 3.066 1.00 0.00 O ATOM 1082 CB ARG A 74 12.111 4.056 5.845 1.00 0.00 C ATOM 1083 CG ARG A 74 12.922 5.261 6.290 1.00 0.00 C ATOM 1084 CD ARG A 74 13.231 5.206 7.778 1.00 0.00 C ATOM 1085 NE ARG A 74 14.183 6.239 8.178 1.00 0.00 N ATOM 1086 CZ ARG A 74 15.500 6.107 8.066 1.00 0.00 C ATOM 1087 NH1 ARG A 74 16.018 4.993 7.567 1.00 0.00 N ATOM 1088 NH2 ARG A 74 16.302 7.091 8.452 1.00 0.00 N ATOM 0 H ARG A 74 10.565 2.447 4.744 1.00 0.00 H new ATOM 0 HA ARG A 74 11.533 4.822 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.110 4.124 6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.568 3.152 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.853 5.303 5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.372 6.175 6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.308 5.325 8.345 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.634 4.225 8.028 1.00 0.00 H new ATOM 0 HE ARG A 74 13.817 7.109 8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.405 4.235 7.268 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.030 4.894 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 74 15.907 7.950 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.313 6.988 8.366 1.00 0.00 H new ATOM 1102 N ASN A 75 13.996 2.613 3.914 1.00 0.00 N ATOM 1103 CA ASN A 75 15.327 2.346 3.380 1.00 0.00 C ATOM 1104 C ASN A 75 15.280 2.166 1.866 1.00 0.00 C ATOM 1105 O ASN A 75 16.139 2.670 1.144 1.00 0.00 O ATOM 1106 CB ASN A 75 15.921 1.097 4.035 1.00 0.00 C ATOM 1107 CG ASN A 75 15.502 0.950 5.485 1.00 0.00 C ATOM 1108 OD1 ASN A 75 14.928 -0.066 5.877 1.00 0.00 O ATOM 1109 ND2 ASN A 75 15.788 1.967 6.289 1.00 0.00 N ATOM 0 H ASN A 75 13.592 1.841 4.445 1.00 0.00 H new ATOM 0 HA ASN A 75 15.961 3.203 3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.608 0.214 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 75 17.009 1.142 3.977 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.531 1.926 7.275 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.265 2.790 5.921 1.00 0.00 H new ATOM 1116 N ALA A 76 14.269 1.445 1.392 1.00 0.00 N ATOM 1117 CA ALA A 76 14.108 1.201 -0.036 1.00 0.00 C ATOM 1118 C ALA A 76 14.205 2.499 -0.829 1.00 0.00 C ATOM 1119 O ALA A 76 13.297 3.330 -0.791 1.00 0.00 O ATOM 1120 CB ALA A 76 12.779 0.512 -0.307 1.00 0.00 C ATOM 0 H ALA A 76 13.549 1.020 1.976 1.00 0.00 H new ATOM 0 HA ALA A 76 14.917 0.546 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.672 0.336 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.748 -0.440 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.963 1.146 0.040 1.00 0.00 H new ATOM 1126 N SER A 77 15.310 2.668 -1.547 1.00 0.00 N ATOM 1127 CA SER A 77 15.527 3.868 -2.347 1.00 0.00 C ATOM 1128 C SER A 77 15.501 3.541 -3.836 1.00 0.00 C ATOM 1129 O SER A 77 15.867 2.441 -4.248 1.00 0.00 O ATOM 1130 CB SER A 77 16.862 4.517 -1.978 1.00 0.00 C ATOM 1131 OG SER A 77 17.237 5.492 -2.936 1.00 0.00 O ATOM 0 H SER A 77 16.070 1.989 -1.591 1.00 0.00 H new ATOM 0 HA SER A 77 14.719 4.568 -2.134 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.785 4.980 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.636 3.752 -1.911 1.00 0.00 H new ATOM 0 HG SER A 77 18.093 5.893 -2.677 1.00 0.00 H new ATOM 1137 N GLY A 78 15.066 4.506 -4.641 1.00 0.00 N ATOM 1138 CA GLY A 78 15.000 4.302 -6.076 1.00 0.00 C ATOM 1139 C GLY A 78 13.679 3.704 -6.517 1.00 0.00 C ATOM 1140 O GLY A 78 12.713 3.685 -5.753 1.00 0.00 O ATOM 0 H GLY A 78 14.758 5.425 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.151 5.255 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.813 3.645 -6.384 1.00 0.00 H new ATOM 1144 N SER A 79 13.634 3.216 -7.752 1.00 0.00 N ATOM 1145 CA SER A 79 12.419 2.620 -8.295 1.00 0.00 C ATOM 1146 C SER A 79 12.020 1.381 -7.500 1.00 0.00 C ATOM 1147 O SER A 79 12.626 0.318 -7.638 1.00 0.00 O ATOM 1148 CB SER A 79 12.620 2.252 -9.767 1.00 0.00 C ATOM 1149 OG SER A 79 13.694 1.340 -9.923 1.00 0.00 O ATOM 0 H SER A 79 14.425 3.222 -8.396 1.00 0.00 H new ATOM 0 HA SER A 79 11.617 3.354 -8.217 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.705 1.812 -10.163 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.817 3.154 -10.347 1.00 0.00 H new ATOM 0 HG SER A 79 13.662 0.672 -9.207 1.00 0.00 H new ATOM 1155 N VAL A 80 10.995 1.525 -6.666 1.00 0.00 N ATOM 1156 CA VAL A 80 10.512 0.419 -5.848 1.00 0.00 C ATOM 1157 C VAL A 80 9.194 -0.127 -6.385 1.00 0.00 C ATOM 1158 O VAL A 80 8.314 0.634 -6.788 1.00 0.00 O ATOM 1159 CB VAL A 80 10.319 0.848 -4.381 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.788 -0.311 -3.552 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.624 1.374 -3.804 1.00 0.00 C ATOM 0 H VAL A 80 10.483 2.398 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 80 11.270 -0.363 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 80 9.584 1.653 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.658 0.010 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.829 -0.637 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.496 -1.139 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.469 1.672 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.382 0.592 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.957 2.235 -4.384 1.00 0.00 H new ATOM 1171 N ILE A 81 9.064 -1.449 -6.386 1.00 0.00 N ATOM 1172 CA ILE A 81 7.852 -2.097 -6.872 1.00 0.00 C ATOM 1173 C ILE A 81 7.105 -2.788 -5.736 1.00 0.00 C ATOM 1174 O ILE A 81 7.715 -3.278 -4.785 1.00 0.00 O ATOM 1175 CB ILE A 81 8.167 -3.131 -7.968 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.737 -2.437 -9.206 1.00 0.00 C ATOM 1177 CG2 ILE A 81 6.917 -3.921 -8.326 1.00 0.00 C ATOM 1178 CD1 ILE A 81 10.053 -1.735 -8.953 1.00 0.00 C ATOM 0 H ILE A 81 9.783 -2.093 -6.056 1.00 0.00 H new ATOM 0 HA ILE A 81 7.223 -1.313 -7.294 1.00 0.00 H new ATOM 0 HB ILE A 81 8.916 -3.825 -7.587 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.874 -3.176 -9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.011 -1.711 -9.572 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.156 -4.648 -9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.550 -4.442 -7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.148 -3.240 -8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.398 -1.265 -9.874 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.917 -0.973 -8.186 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.794 -2.461 -8.616 1.00 0.00 H new ATOM 1190 N LEU A 82 5.781 -2.824 -5.842 1.00 0.00 N ATOM 1191 CA LEU A 82 4.949 -3.458 -4.824 1.00 0.00 C ATOM 1192 C LEU A 82 3.845 -4.292 -5.466 1.00 0.00 C ATOM 1193 O LEU A 82 3.005 -3.771 -6.199 1.00 0.00 O ATOM 1194 CB LEU A 82 4.336 -2.398 -3.907 1.00 0.00 C ATOM 1195 CG LEU A 82 5.295 -1.725 -2.925 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.822 -0.317 -2.597 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.428 -2.554 -1.655 1.00 0.00 C ATOM 0 H LEU A 82 5.261 -2.422 -6.622 1.00 0.00 H new ATOM 0 HA LEU A 82 5.581 -4.120 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.884 -1.626 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.530 -2.861 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 82 6.276 -1.657 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.517 0.146 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.780 0.275 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.830 -0.362 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.115 -2.059 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.451 -2.655 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.814 -3.542 -1.904 1.00 0.00 H new ATOM 1209 N LYS A 83 3.851 -5.590 -5.182 1.00 0.00 N ATOM 1210 CA LYS A 83 2.849 -6.497 -5.728 1.00 0.00 C ATOM 1211 C LYS A 83 1.620 -6.557 -4.826 1.00 0.00 C ATOM 1212 O LYS A 83 1.634 -7.215 -3.785 1.00 0.00 O ATOM 1213 CB LYS A 83 3.438 -7.900 -5.897 1.00 0.00 C ATOM 1214 CG LYS A 83 2.490 -8.882 -6.563 1.00 0.00 C ATOM 1215 CD LYS A 83 3.178 -10.202 -6.867 1.00 0.00 C ATOM 1216 CE LYS A 83 2.355 -11.052 -7.822 1.00 0.00 C ATOM 1217 NZ LYS A 83 2.938 -12.411 -7.999 1.00 0.00 N ATOM 0 H LYS A 83 4.539 -6.037 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 83 2.545 -6.117 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.352 -7.833 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.719 -8.287 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.632 -9.059 -5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.106 -8.449 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.159 -10.011 -7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.342 -10.750 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.337 -11.140 -7.444 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.294 -10.554 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.348 -12.959 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.901 -12.328 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.973 -12.896 -7.080 1.00 0.00 H new ATOM 1231 N ILE A 84 0.560 -5.867 -5.232 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.677 -5.844 -4.461 1.00 0.00 C ATOM 1233 C ILE A 84 -1.586 -7.007 -4.845 1.00 0.00 C ATOM 1234 O ILE A 84 -1.504 -7.533 -5.956 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.441 -4.522 -4.662 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.464 -3.347 -4.724 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.452 -4.319 -3.543 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.375 -3.192 -3.474 1.00 0.00 C ATOM 0 H ILE A 84 0.533 -5.316 -6.090 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.397 -5.936 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.980 -4.572 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.196 -3.479 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.024 -2.427 -4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.984 -3.380 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.164 -5.144 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.933 -4.287 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.045 -2.340 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.277 -3.028 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.963 -4.096 -3.316 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.453 -7.403 -3.920 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.380 -8.503 -4.162 1.00 0.00 C ATOM 1252 C LEU A 85 -4.684 -8.295 -3.397 1.00 0.00 C ATOM 1253 O LEU A 85 -4.731 -7.540 -2.426 1.00 0.00 O ATOM 1254 CB LEU A 85 -2.743 -9.833 -3.753 1.00 0.00 C ATOM 1255 CG LEU A 85 -1.984 -10.579 -4.852 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -0.638 -9.921 -5.112 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -1.802 -12.042 -4.474 1.00 0.00 C ATOM 0 H LEU A 85 -2.534 -6.979 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.605 -8.527 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.056 -9.646 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.528 -10.487 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.570 -10.532 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.112 -10.465 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.792 -8.889 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.043 -9.936 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.260 -12.558 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.237 -12.110 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.779 -12.507 -4.340 1.00 0.00 H new ATOM 1269 N SER A 86 -5.738 -8.971 -3.841 1.00 0.00 N ATOM 1270 CA SER A 86 -7.043 -8.860 -3.199 1.00 0.00 C ATOM 1271 C SER A 86 -7.244 -9.975 -2.178 1.00 0.00 C ATOM 1272 O SER A 86 -6.622 -11.033 -2.266 1.00 0.00 O ATOM 1273 CB SER A 86 -8.156 -8.906 -4.248 1.00 0.00 C ATOM 1274 OG SER A 86 -8.133 -7.751 -5.068 1.00 0.00 O ATOM 0 H SER A 86 -5.714 -9.601 -4.643 1.00 0.00 H new ATOM 0 HA SER A 86 -7.084 -7.904 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.041 -9.797 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.124 -8.985 -3.753 1.00 0.00 H new ATOM 0 HG SER A 86 -8.853 -7.806 -5.731 1.00 0.00 H new