USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 GLN : amide:sc= -1.85 K(o=-1.8,f=-3.1!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.333 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -2:sc= 0.249! USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -0.0223 (180deg=-0.308) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.27 USER MOD Single : A 30 MET CE :methyl 180:sc= -0.687 (180deg=-0.687) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 39 THR OG1 : rot -4:sc= 0.0618 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 167:sc= 0.448! USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 143:sc= -1.09 (180deg=-4.38!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= -0.0237 (180deg=-0.204) USER MOD Single : A 72 ASN : amide:sc= -5.25! C(o=-5.2!,f=-18!) USER MOD Single : A 76 THR OG1 : rot -130:sc= -2.4! USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0761 USER MOD Single : A 85 ASN :FLIP amide:sc= -3.04 F(o=-7!,f=-3) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN :FLIP amide:sc= -1.18 F(o=-5.8!,f=-1.2) USER MOD Single : A 94 MET CE :methyl 178:sc= 0 (180deg=-0.00304) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 30:sc= -1.02 USER MOD Single : A 104 ASN :FLIP amide:sc= -0.384! F(o=-1.4,f=-0.38!) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 7.506 -0.854 6.219 1.00 0.00 N ATOM 21 CA ALA A 2 7.166 0.339 7.047 1.00 0.00 C ATOM 22 C ALA A 2 6.847 1.518 6.128 1.00 0.00 C ATOM 23 O ALA A 2 5.903 2.246 6.356 1.00 0.00 O ATOM 24 CB ALA A 2 8.348 0.704 7.942 1.00 0.00 C ATOM 0 HA ALA A 2 6.301 0.109 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.093 1.576 8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.580 -0.135 8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.216 0.932 7.323 1.00 0.00 H new ATOM 30 N GLU A 3 7.631 1.712 5.088 1.00 0.00 N ATOM 31 CA GLU A 3 7.382 2.852 4.145 1.00 0.00 C ATOM 32 C GLU A 3 7.065 2.309 2.756 1.00 0.00 C ATOM 33 O GLU A 3 7.434 1.201 2.411 1.00 0.00 O ATOM 34 CB GLU A 3 8.625 3.741 4.071 1.00 0.00 C ATOM 35 CG GLU A 3 9.861 2.884 3.813 1.00 0.00 C ATOM 36 CD GLU A 3 11.072 3.791 3.602 1.00 0.00 C ATOM 37 OE1 GLU A 3 10.878 4.992 3.504 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.174 3.273 3.542 1.00 0.00 O ATOM 0 H GLU A 3 8.433 1.128 4.853 1.00 0.00 H new ATOM 0 HA GLU A 3 6.538 3.438 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.510 4.477 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.743 4.294 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.036 2.215 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.705 2.257 2.935 1.00 0.00 H new ATOM 45 N ILE A 4 6.365 3.076 1.963 1.00 0.00 N ATOM 46 CA ILE A 4 5.987 2.613 0.596 1.00 0.00 C ATOM 47 C ILE A 4 6.885 3.296 -0.432 1.00 0.00 C ATOM 48 O ILE A 4 7.018 4.505 -0.443 1.00 0.00 O ATOM 49 CB ILE A 4 4.520 2.991 0.316 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.679 2.819 1.592 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.954 2.092 -0.797 1.00 0.00 C ATOM 52 CD1 ILE A 4 3.733 1.375 2.083 1.00 0.00 C ATOM 0 H ILE A 4 6.036 4.011 2.206 1.00 0.00 H new ATOM 0 HA ILE A 4 6.106 1.532 0.530 1.00 0.00 H new ATOM 0 HB ILE A 4 4.478 4.033 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.049 3.487 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.645 3.102 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.916 2.363 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.540 2.226 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.004 1.049 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.132 1.275 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.341 0.713 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.766 1.104 2.303 1.00 0.00 H new ATOM 64 N GLN A 5 7.502 2.528 -1.292 1.00 0.00 N ATOM 65 CA GLN A 5 8.398 3.117 -2.331 1.00 0.00 C ATOM 66 C GLN A 5 8.020 2.561 -3.702 1.00 0.00 C ATOM 67 O GLN A 5 7.998 1.363 -3.912 1.00 0.00 O ATOM 68 CB GLN A 5 9.844 2.750 -2.007 1.00 0.00 C ATOM 69 CG GLN A 5 10.277 3.486 -0.738 1.00 0.00 C ATOM 70 CD GLN A 5 11.707 3.088 -0.375 1.00 0.00 C ATOM 71 OE1 GLN A 5 12.346 2.351 -1.098 1.00 0.00 O ATOM 72 NE2 GLN A 5 12.238 3.549 0.724 1.00 0.00 N ATOM 0 H GLN A 5 7.423 1.511 -1.319 1.00 0.00 H new ATOM 0 HA GLN A 5 8.290 4.202 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.936 1.673 -1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.495 3.020 -2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.217 4.563 -0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.602 3.244 0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.699 4.168 1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.192 3.290 0.977 1.00 0.00 H new ATOM 81 N PHE A 6 7.726 3.430 -4.636 1.00 0.00 N ATOM 82 CA PHE A 6 7.354 2.980 -6.009 1.00 0.00 C ATOM 83 C PHE A 6 8.522 3.274 -6.950 1.00 0.00 C ATOM 84 O PHE A 6 8.558 2.820 -8.077 1.00 0.00 O ATOM 85 CB PHE A 6 6.115 3.755 -6.473 1.00 0.00 C ATOM 86 CG PHE A 6 4.895 3.248 -5.736 1.00 0.00 C ATOM 87 CD1 PHE A 6 4.450 1.935 -5.947 1.00 0.00 C ATOM 88 CD2 PHE A 6 4.208 4.084 -4.843 1.00 0.00 C ATOM 89 CE1 PHE A 6 3.324 1.459 -5.265 1.00 0.00 C ATOM 90 CE2 PHE A 6 3.080 3.605 -4.163 1.00 0.00 C ATOM 91 CZ PHE A 6 2.640 2.293 -4.372 1.00 0.00 C ATOM 0 H PHE A 6 7.728 4.441 -4.503 1.00 0.00 H new ATOM 0 HA PHE A 6 7.135 1.912 -6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.249 4.820 -6.286 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.979 3.635 -7.548 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.976 1.291 -6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.548 5.096 -4.680 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.982 0.447 -5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.550 4.249 -3.477 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.773 1.924 -3.845 1.00 0.00 H new ATOM 101 N SER A 7 9.484 4.032 -6.490 1.00 0.00 N ATOM 102 CA SER A 7 10.655 4.356 -7.353 1.00 0.00 C ATOM 103 C SER A 7 11.763 5.001 -6.514 1.00 0.00 C ATOM 104 O SER A 7 11.879 4.766 -5.328 1.00 0.00 O ATOM 105 CB SER A 7 10.236 5.329 -8.454 1.00 0.00 C ATOM 106 OG SER A 7 11.253 5.371 -9.449 1.00 0.00 O ATOM 0 H SER A 7 9.508 4.439 -5.555 1.00 0.00 H new ATOM 0 HA SER A 7 11.025 3.433 -7.799 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.291 5.013 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.077 6.323 -8.037 1.00 0.00 H new ATOM 0 HG SER A 7 10.990 5.992 -10.160 1.00 0.00 H new ATOM 112 N LYS A 8 12.587 5.802 -7.135 1.00 0.00 N ATOM 113 CA LYS A 8 13.701 6.457 -6.397 1.00 0.00 C ATOM 114 C LYS A 8 13.165 7.516 -5.430 1.00 0.00 C ATOM 115 O LYS A 8 12.326 8.325 -5.773 1.00 0.00 O ATOM 116 CB LYS A 8 14.654 7.112 -7.402 1.00 0.00 C ATOM 117 CG LYS A 8 15.347 6.022 -8.226 1.00 0.00 C ATOM 118 CD LYS A 8 16.314 6.665 -9.225 1.00 0.00 C ATOM 119 CE LYS A 8 17.021 5.571 -10.028 1.00 0.00 C ATOM 120 NZ LYS A 8 17.965 6.195 -10.998 1.00 0.00 N ATOM 0 H LYS A 8 12.534 6.031 -8.128 1.00 0.00 H new ATOM 0 HA LYS A 8 14.232 5.701 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.102 7.785 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.396 7.715 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.888 5.343 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.604 5.426 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.771 7.330 -9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.047 7.274 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.562 4.904 -9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.288 4.963 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.445 5.451 -11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.438 6.814 -11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.672 6.757 -10.482 1.00 0.00 H new ATOM 134 N GLY A 9 13.665 7.521 -4.221 1.00 0.00 N ATOM 135 CA GLY A 9 13.217 8.526 -3.218 1.00 0.00 C ATOM 136 C GLY A 9 11.722 8.362 -2.930 1.00 0.00 C ATOM 137 O GLY A 9 11.325 7.661 -2.021 1.00 0.00 O ATOM 0 H GLY A 9 14.370 6.865 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.787 8.408 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.414 9.532 -3.588 1.00 0.00 H new ATOM 141 N VAL A 10 10.895 9.024 -3.691 1.00 0.00 N ATOM 142 CA VAL A 10 9.421 8.941 -3.470 1.00 0.00 C ATOM 143 C VAL A 10 9.092 9.290 -2.016 1.00 0.00 C ATOM 144 O VAL A 10 9.155 8.459 -1.131 1.00 0.00 O ATOM 145 CB VAL A 10 8.917 7.535 -3.805 1.00 0.00 C ATOM 146 CG1 VAL A 10 7.400 7.491 -3.623 1.00 0.00 C ATOM 147 CG2 VAL A 10 9.260 7.214 -5.263 1.00 0.00 C ATOM 0 H VAL A 10 11.179 9.625 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 10 8.922 9.655 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 10 9.388 6.805 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.034 6.492 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.150 7.733 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.932 8.216 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.904 6.214 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.780 7.941 -5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.340 7.259 -5.401 1.00 0.00 H new ATOM 157 N ALA A 11 8.751 10.526 -1.767 1.00 0.00 N ATOM 158 CA ALA A 11 8.426 10.963 -0.379 1.00 0.00 C ATOM 159 C ALA A 11 7.133 10.304 0.107 1.00 0.00 C ATOM 160 O ALA A 11 6.182 10.146 -0.634 1.00 0.00 O ATOM 161 CB ALA A 11 8.255 12.483 -0.360 1.00 0.00 C ATOM 0 H ALA A 11 8.683 11.259 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 11 9.239 10.666 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.017 12.810 0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.181 12.957 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.445 12.766 -1.032 1.00 0.00 H new ATOM 167 N GLU A 12 7.093 9.929 1.362 1.00 0.00 N ATOM 168 CA GLU A 12 5.873 9.289 1.936 1.00 0.00 C ATOM 169 C GLU A 12 5.084 10.338 2.722 1.00 0.00 C ATOM 170 O GLU A 12 4.444 10.043 3.713 1.00 0.00 O ATOM 171 CB GLU A 12 6.298 8.142 2.860 1.00 0.00 C ATOM 172 CG GLU A 12 7.143 8.686 4.016 1.00 0.00 C ATOM 173 CD GLU A 12 7.635 7.521 4.878 1.00 0.00 C ATOM 174 OE1 GLU A 12 7.956 6.488 4.314 1.00 0.00 O ATOM 175 OE2 GLU A 12 7.681 7.681 6.085 1.00 0.00 O ATOM 0 H GLU A 12 7.865 10.041 2.020 1.00 0.00 H new ATOM 0 HA GLU A 12 5.244 8.891 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.417 7.633 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.869 7.403 2.297 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.992 9.249 3.627 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.553 9.375 4.620 1.00 0.00 H new ATOM 182 N THR A 13 5.126 11.567 2.283 1.00 0.00 N ATOM 183 CA THR A 13 4.381 12.643 2.986 1.00 0.00 C ATOM 184 C THR A 13 2.885 12.410 2.784 1.00 0.00 C ATOM 185 O THR A 13 2.059 12.914 3.517 1.00 0.00 O ATOM 186 CB THR A 13 4.774 14.000 2.390 1.00 0.00 C ATOM 187 OG1 THR A 13 6.192 14.115 2.369 1.00 0.00 O ATOM 188 CG2 THR A 13 4.183 15.132 3.231 1.00 0.00 C ATOM 0 H THR A 13 5.649 11.871 1.462 1.00 0.00 H new ATOM 0 HA THR A 13 4.618 12.634 4.050 1.00 0.00 H new ATOM 0 HB THR A 13 4.385 14.070 1.374 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.444 14.981 1.987 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.467 16.092 2.800 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.096 15.047 3.243 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.563 15.065 4.250 1.00 0.00 H new ATOM 196 N VAL A 14 2.540 11.658 1.774 1.00 0.00 N ATOM 197 CA VAL A 14 1.103 11.387 1.489 1.00 0.00 C ATOM 198 C VAL A 14 0.517 10.455 2.550 1.00 0.00 C ATOM 199 O VAL A 14 -0.683 10.373 2.697 1.00 0.00 O ATOM 200 CB VAL A 14 0.964 10.755 0.099 1.00 0.00 C ATOM 201 CG1 VAL A 14 1.411 9.288 0.125 1.00 0.00 C ATOM 202 CG2 VAL A 14 -0.496 10.828 -0.345 1.00 0.00 C ATOM 0 H VAL A 14 3.197 11.217 1.130 1.00 0.00 H new ATOM 0 HA VAL A 14 0.553 12.328 1.513 1.00 0.00 H new ATOM 0 HB VAL A 14 1.597 11.303 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.305 8.858 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.454 9.231 0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.792 8.731 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.599 10.379 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.120 10.286 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.812 11.870 -0.385 1.00 0.00 H new ATOM 212 N VAL A 15 1.361 9.745 3.271 1.00 0.00 N ATOM 213 CA VAL A 15 0.897 8.791 4.323 1.00 0.00 C ATOM 214 C VAL A 15 -0.442 8.136 3.902 1.00 0.00 C ATOM 215 O VAL A 15 -1.500 8.702 4.095 1.00 0.00 O ATOM 216 CB VAL A 15 0.756 9.526 5.667 1.00 0.00 C ATOM 217 CG1 VAL A 15 0.103 10.890 5.468 1.00 0.00 C ATOM 218 CG2 VAL A 15 -0.080 8.685 6.633 1.00 0.00 C ATOM 0 H VAL A 15 2.375 9.793 3.167 1.00 0.00 H new ATOM 0 HA VAL A 15 1.635 7.998 4.440 1.00 0.00 H new ATOM 0 HB VAL A 15 1.751 9.676 6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.012 11.394 6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.717 11.493 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.887 10.759 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.176 9.210 7.583 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.070 8.519 6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.410 7.725 6.797 1.00 0.00 H new ATOM 228 N PRO A 16 -0.405 6.963 3.311 1.00 0.00 N ATOM 229 CA PRO A 16 -1.637 6.272 2.839 1.00 0.00 C ATOM 230 C PRO A 16 -2.416 5.606 3.973 1.00 0.00 C ATOM 231 O PRO A 16 -1.878 5.297 5.018 1.00 0.00 O ATOM 232 CB PRO A 16 -1.103 5.243 1.838 1.00 0.00 C ATOM 233 CG PRO A 16 0.266 4.900 2.336 1.00 0.00 C ATOM 234 CD PRO A 16 0.801 6.155 3.038 1.00 0.00 C ATOM 0 HA PRO A 16 -2.355 6.966 2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.742 4.361 1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.065 5.655 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.228 4.056 3.025 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.917 4.609 1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.327 5.902 3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.506 6.694 2.406 1.00 0.00 H new ATOM 242 N GLU A 17 -3.687 5.381 3.770 1.00 0.00 N ATOM 243 CA GLU A 17 -4.510 4.735 4.832 1.00 0.00 C ATOM 244 C GLU A 17 -4.510 3.224 4.614 1.00 0.00 C ATOM 245 O GLU A 17 -4.353 2.750 3.506 1.00 0.00 O ATOM 246 CB GLU A 17 -5.944 5.264 4.774 1.00 0.00 C ATOM 247 CG GLU A 17 -6.760 4.642 5.911 1.00 0.00 C ATOM 248 CD GLU A 17 -8.176 5.214 5.899 1.00 0.00 C ATOM 249 OE1 GLU A 17 -8.528 5.857 4.923 1.00 0.00 O ATOM 250 OE2 GLU A 17 -8.886 4.996 6.866 1.00 0.00 O ATOM 0 H GLU A 17 -4.190 5.617 2.915 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.088 4.966 5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.947 6.350 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.395 5.020 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.794 3.558 5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.282 4.847 6.869 1.00 0.00 H new ATOM 257 N VAL A 18 -4.685 2.463 5.668 1.00 0.00 N ATOM 258 CA VAL A 18 -4.696 0.973 5.546 1.00 0.00 C ATOM 259 C VAL A 18 -6.079 0.446 5.928 1.00 0.00 C ATOM 260 O VAL A 18 -6.648 0.833 6.929 1.00 0.00 O ATOM 261 CB VAL A 18 -3.646 0.384 6.492 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.807 -1.137 6.567 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.248 0.727 5.970 1.00 0.00 C ATOM 0 H VAL A 18 -4.822 2.815 6.615 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.467 0.684 4.520 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.780 0.805 7.488 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.057 -1.549 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.802 -1.380 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.677 -1.566 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.497 0.310 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.119 0.306 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.132 1.810 5.924 1.00 0.00 H new ATOM 273 N ARG A 19 -6.618 -0.443 5.129 1.00 0.00 N ATOM 274 CA ARG A 19 -7.966 -1.018 5.420 1.00 0.00 C ATOM 275 C ARG A 19 -7.885 -2.543 5.371 1.00 0.00 C ATOM 276 O ARG A 19 -7.159 -3.111 4.578 1.00 0.00 O ATOM 277 CB ARG A 19 -8.958 -0.527 4.368 1.00 0.00 C ATOM 278 CG ARG A 19 -9.129 0.986 4.510 1.00 0.00 C ATOM 279 CD ARG A 19 -10.107 1.500 3.450 1.00 0.00 C ATOM 280 NE ARG A 19 -9.483 1.385 2.101 1.00 0.00 N ATOM 281 CZ ARG A 19 -10.157 1.717 1.031 1.00 0.00 C ATOM 282 NH1 ARG A 19 -11.383 2.152 1.136 1.00 0.00 N ATOM 283 NH2 ARG A 19 -9.600 1.615 -0.144 1.00 0.00 N ATOM 0 H ARG A 19 -6.176 -0.797 4.280 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.296 -0.703 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.599 -0.773 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.918 -1.028 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.499 1.227 5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.165 1.482 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.033 0.925 3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.369 2.538 3.654 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.525 1.046 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.818 2.234 2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.906 2.410 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.641 1.277 -0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.123 1.873 -0.981 1.00 0.00 H new ATOM 297 N LEU A 20 -8.626 -3.207 6.223 1.00 0.00 N ATOM 298 CA LEU A 20 -8.609 -4.701 6.254 1.00 0.00 C ATOM 299 C LEU A 20 -9.947 -5.234 5.750 1.00 0.00 C ATOM 300 O LEU A 20 -11.000 -4.789 6.160 1.00 0.00 O ATOM 301 CB LEU A 20 -8.384 -5.166 7.693 1.00 0.00 C ATOM 302 CG LEU A 20 -7.078 -4.565 8.229 1.00 0.00 C ATOM 303 CD1 LEU A 20 -6.868 -5.019 9.677 1.00 0.00 C ATOM 304 CD2 LEU A 20 -5.891 -5.022 7.362 1.00 0.00 C ATOM 0 H LEU A 20 -9.248 -2.773 6.905 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.808 -5.075 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.221 -4.860 8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.338 -6.254 7.731 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.141 -3.477 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.941 -4.594 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.704 -4.680 10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.810 -6.107 9.712 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.969 -4.590 7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.820 -6.109 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.042 -4.691 6.335 1.00 0.00 H new ATOM 316 N SER A 21 -9.909 -6.189 4.860 1.00 0.00 N ATOM 317 CA SER A 21 -11.175 -6.759 4.323 1.00 0.00 C ATOM 318 C SER A 21 -10.929 -8.187 3.838 1.00 0.00 C ATOM 319 O SER A 21 -9.804 -8.609 3.660 1.00 0.00 O ATOM 320 CB SER A 21 -11.664 -5.908 3.151 1.00 0.00 C ATOM 321 OG SER A 21 -11.924 -4.587 3.605 1.00 0.00 O ATOM 0 H SER A 21 -9.055 -6.598 4.482 1.00 0.00 H new ATOM 0 HA SER A 21 -11.928 -6.765 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.914 -5.892 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.568 -6.342 2.724 1.00 0.00 H new ATOM 0 HG SER A 21 -11.759 -4.534 4.570 1.00 0.00 H new ATOM 327 N LYS A 22 -11.980 -8.933 3.632 1.00 0.00 N ATOM 328 CA LYS A 22 -11.828 -10.341 3.164 1.00 0.00 C ATOM 329 C LYS A 22 -11.816 -10.382 1.634 1.00 0.00 C ATOM 330 O LYS A 22 -12.530 -9.654 0.974 1.00 0.00 O ATOM 331 CB LYS A 22 -12.999 -11.169 3.689 1.00 0.00 C ATOM 332 CG LYS A 22 -12.823 -12.630 3.270 1.00 0.00 C ATOM 333 CD LYS A 22 -13.954 -13.471 3.867 1.00 0.00 C ATOM 334 CE LYS A 22 -13.760 -14.937 3.472 1.00 0.00 C ATOM 335 NZ LYS A 22 -13.980 -15.090 2.005 1.00 0.00 N ATOM 0 H LYS A 22 -12.943 -8.626 3.768 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.889 -10.750 3.537 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.051 -11.095 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.938 -10.778 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.830 -12.711 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.858 -13.004 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.961 -13.373 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.918 -13.111 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.755 -15.266 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.457 -15.568 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.135 -16.093 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.814 -14.539 1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.145 -14.745 1.491 1.00 0.00 H new ATOM 349 N SER A 23 -11.002 -11.231 1.073 1.00 0.00 N ATOM 350 CA SER A 23 -10.918 -11.330 -0.410 1.00 0.00 C ATOM 351 C SER A 23 -12.263 -11.754 -1.002 1.00 0.00 C ATOM 352 O SER A 23 -12.959 -12.597 -0.468 1.00 0.00 O ATOM 353 CB SER A 23 -9.852 -12.363 -0.773 1.00 0.00 C ATOM 354 OG SER A 23 -9.835 -12.546 -2.182 1.00 0.00 O ATOM 0 H SER A 23 -10.387 -11.865 1.582 1.00 0.00 H new ATOM 0 HA SER A 23 -10.656 -10.354 -0.819 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.874 -12.030 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.062 -13.309 -0.274 1.00 0.00 H new ATOM 0 HG SER A 23 -9.151 -13.207 -2.418 1.00 0.00 H new ATOM 420 N SER A 28 -8.323 -15.853 0.725 1.00 0.00 N ATOM 421 CA SER A 28 -7.998 -15.589 2.157 1.00 0.00 C ATOM 422 C SER A 28 -8.183 -14.111 2.503 1.00 0.00 C ATOM 423 O SER A 28 -8.737 -13.339 1.745 1.00 0.00 O ATOM 424 CB SER A 28 -6.551 -15.994 2.444 1.00 0.00 C ATOM 425 OG SER A 28 -6.383 -16.155 3.846 1.00 0.00 O ATOM 0 HA SER A 28 -8.680 -16.178 2.770 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.311 -16.923 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.866 -15.234 2.068 1.00 0.00 H new ATOM 0 HG SER A 28 -5.458 -16.416 4.037 1.00 0.00 H new ATOM 431 N GLY A 29 -7.724 -13.725 3.662 1.00 0.00 N ATOM 432 CA GLY A 29 -7.864 -12.311 4.104 1.00 0.00 C ATOM 433 C GLY A 29 -6.954 -11.407 3.277 1.00 0.00 C ATOM 434 O GLY A 29 -6.011 -11.855 2.655 1.00 0.00 O ATOM 0 H GLY A 29 -7.253 -14.337 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.900 -11.990 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.610 -12.226 5.161 1.00 0.00 H new ATOM 438 N MET A 30 -7.224 -10.131 3.272 1.00 0.00 N ATOM 439 CA MET A 30 -6.366 -9.198 2.494 1.00 0.00 C ATOM 440 C MET A 30 -6.526 -7.783 3.038 1.00 0.00 C ATOM 441 O MET A 30 -7.321 -7.528 3.922 1.00 0.00 O ATOM 442 CB MET A 30 -6.777 -9.215 1.022 1.00 0.00 C ATOM 443 CG MET A 30 -8.294 -9.070 0.896 1.00 0.00 C ATOM 444 SD MET A 30 -8.694 -8.557 -0.793 1.00 0.00 S ATOM 445 CE MET A 30 -10.177 -7.595 -0.401 1.00 0.00 C ATOM 0 H MET A 30 -8.000 -9.696 3.772 1.00 0.00 H new ATOM 0 HA MET A 30 -5.327 -9.515 2.585 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.281 -8.404 0.489 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.453 -10.146 0.557 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.784 -10.015 1.129 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.663 -8.335 1.611 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.594 -7.179 -1.318 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.915 -8.242 0.073 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.915 -6.784 0.279 1.00 0.00 H new ATOM 455 N ALA A 31 -5.773 -6.856 2.511 1.00 0.00 N ATOM 456 CA ALA A 31 -5.867 -5.446 2.982 1.00 0.00 C ATOM 457 C ALA A 31 -5.706 -4.514 1.783 1.00 0.00 C ATOM 458 O ALA A 31 -4.984 -4.812 0.852 1.00 0.00 O ATOM 459 CB ALA A 31 -4.750 -5.175 3.991 1.00 0.00 C ATOM 0 H ALA A 31 -5.092 -7.017 1.769 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.833 -5.275 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.815 -4.144 4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.855 -5.851 4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.783 -5.337 3.515 1.00 0.00 H new ATOM 465 N LYS A 32 -6.379 -3.391 1.798 1.00 0.00 N ATOM 466 CA LYS A 32 -6.281 -2.428 0.657 1.00 0.00 C ATOM 467 C LYS A 32 -5.537 -1.173 1.098 1.00 0.00 C ATOM 468 O LYS A 32 -5.655 -0.727 2.222 1.00 0.00 O ATOM 469 CB LYS A 32 -7.688 -2.044 0.203 1.00 0.00 C ATOM 470 CG LYS A 32 -8.357 -3.254 -0.449 1.00 0.00 C ATOM 471 CD LYS A 32 -9.750 -2.865 -0.943 1.00 0.00 C ATOM 472 CE LYS A 32 -10.408 -4.070 -1.615 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.754 -3.685 -2.123 1.00 0.00 N ATOM 0 H LYS A 32 -6.996 -3.098 2.556 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.739 -2.897 -0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.277 -1.704 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.641 -1.215 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.752 -3.612 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.429 -4.072 0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.361 -2.522 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.679 -2.036 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.786 -4.426 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.498 -4.892 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.200 -4.506 -2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.346 -3.366 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.657 -2.914 -2.815 1.00 0.00 H new ATOM 487 N PHE A 33 -4.774 -0.596 0.204 1.00 0.00 N ATOM 488 CA PHE A 33 -4.013 0.644 0.527 1.00 0.00 C ATOM 489 C PHE A 33 -4.599 1.793 -0.288 1.00 0.00 C ATOM 490 O PHE A 33 -4.645 1.747 -1.505 1.00 0.00 O ATOM 491 CB PHE A 33 -2.545 0.438 0.159 1.00 0.00 C ATOM 492 CG PHE A 33 -1.908 -0.480 1.174 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.973 -1.868 1.001 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.260 0.056 2.293 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.389 -2.718 1.946 1.00 0.00 C ATOM 496 CE2 PHE A 33 -0.677 -0.795 3.238 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.741 -2.182 3.065 1.00 0.00 C ATOM 0 H PHE A 33 -4.646 -0.938 -0.748 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.084 0.873 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.464 0.009 -0.840 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.024 1.395 0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.474 -2.282 0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.210 1.127 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.438 -3.789 1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.177 -0.381 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.291 -2.839 3.795 1.00 0.00 H new ATOM 507 N TYR A 34 -5.060 2.813 0.384 1.00 0.00 N ATOM 508 CA TYR A 34 -5.664 3.980 -0.313 1.00 0.00 C ATOM 509 C TYR A 34 -4.599 5.069 -0.476 1.00 0.00 C ATOM 510 O TYR A 34 -4.008 5.512 0.492 1.00 0.00 O ATOM 511 CB TYR A 34 -6.813 4.504 0.555 1.00 0.00 C ATOM 512 CG TYR A 34 -7.497 5.667 -0.121 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.347 5.440 -1.206 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.294 6.973 0.347 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.994 6.514 -1.827 1.00 0.00 C ATOM 516 CE2 TYR A 34 -7.939 8.047 -0.274 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.790 7.817 -1.361 1.00 0.00 C ATOM 518 OH TYR A 34 -9.429 8.877 -1.974 1.00 0.00 O ATOM 0 H TYR A 34 -5.042 2.886 1.401 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.036 3.696 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.533 3.706 0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.430 4.815 1.527 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.505 4.434 -1.566 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.639 7.150 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.651 6.337 -2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.781 9.053 0.085 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.378 9.668 -1.397 1.00 0.00 H new ATOM 528 N PHE A 35 -4.355 5.501 -1.694 1.00 0.00 N ATOM 529 CA PHE A 35 -3.328 6.570 -1.945 1.00 0.00 C ATOM 530 C PHE A 35 -4.023 7.824 -2.476 1.00 0.00 C ATOM 531 O PHE A 35 -4.755 7.781 -3.447 1.00 0.00 O ATOM 532 CB PHE A 35 -2.291 6.061 -2.973 1.00 0.00 C ATOM 533 CG PHE A 35 -1.043 5.564 -2.273 1.00 0.00 C ATOM 534 CD1 PHE A 35 -0.277 6.453 -1.505 1.00 0.00 C ATOM 535 CD2 PHE A 35 -0.633 4.231 -2.409 1.00 0.00 C ATOM 536 CE1 PHE A 35 0.891 6.011 -0.878 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.532 3.790 -1.775 1.00 0.00 C ATOM 538 CZ PHE A 35 1.294 4.683 -1.013 1.00 0.00 C ATOM 0 H PHE A 35 -4.826 5.157 -2.531 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.814 6.812 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.725 5.257 -3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.032 6.864 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.590 7.481 -1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.217 3.544 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.481 6.698 -0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.844 2.761 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.197 4.342 -0.528 1.00 0.00 H new ATOM 548 N LEU A 36 -3.780 8.940 -1.838 1.00 0.00 N ATOM 549 CA LEU A 36 -4.402 10.228 -2.267 1.00 0.00 C ATOM 550 C LEU A 36 -3.336 11.153 -2.860 1.00 0.00 C ATOM 551 O LEU A 36 -2.422 11.576 -2.182 1.00 0.00 O ATOM 552 CB LEU A 36 -5.031 10.889 -1.041 1.00 0.00 C ATOM 553 CG LEU A 36 -5.786 12.160 -1.450 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.942 11.818 -2.411 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.335 12.836 -0.188 1.00 0.00 C ATOM 0 H LEU A 36 -3.168 9.014 -1.026 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.161 10.040 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.714 10.193 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.256 11.136 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.104 12.835 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.466 12.732 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.542 11.341 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.636 11.138 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.874 13.742 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.012 12.153 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.509 13.094 0.475 1.00 0.00 H new ATOM 567 N GLU A 37 -3.470 11.465 -4.128 1.00 0.00 N ATOM 568 CA GLU A 37 -2.497 12.366 -4.832 1.00 0.00 C ATOM 569 C GLU A 37 -1.084 12.251 -4.246 1.00 0.00 C ATOM 570 O GLU A 37 -0.566 13.192 -3.678 1.00 0.00 O ATOM 571 CB GLU A 37 -2.976 13.814 -4.723 1.00 0.00 C ATOM 572 CG GLU A 37 -4.271 13.976 -5.520 1.00 0.00 C ATOM 573 CD GLU A 37 -3.960 13.950 -7.019 1.00 0.00 C ATOM 574 OE1 GLU A 37 -3.225 14.814 -7.466 1.00 0.00 O ATOM 575 OE2 GLU A 37 -4.461 13.066 -7.692 1.00 0.00 O ATOM 0 H GLU A 37 -4.230 11.126 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.451 12.058 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.142 14.077 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.213 14.492 -5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.967 13.175 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.757 14.915 -5.256 1.00 0.00 H new ATOM 582 N PRO A 38 -0.457 11.113 -4.403 1.00 0.00 N ATOM 583 CA PRO A 38 0.937 10.875 -3.902 1.00 0.00 C ATOM 584 C PRO A 38 1.954 11.758 -4.636 1.00 0.00 C ATOM 585 O PRO A 38 3.146 11.524 -4.599 1.00 0.00 O ATOM 586 CB PRO A 38 1.166 9.375 -4.193 1.00 0.00 C ATOM 587 CG PRO A 38 -0.210 8.825 -4.334 1.00 0.00 C ATOM 588 CD PRO A 38 -0.980 9.910 -5.061 1.00 0.00 C ATOM 0 HA PRO A 38 1.061 11.124 -2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.750 9.229 -5.102 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.710 8.889 -3.383 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.209 7.893 -4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.652 8.608 -3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.783 9.908 -6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.058 9.806 -4.935 1.00 0.00 H new ATOM 596 N THR A 39 1.476 12.772 -5.303 1.00 0.00 N ATOM 597 CA THR A 39 2.383 13.684 -6.051 1.00 0.00 C ATOM 598 C THR A 39 3.317 12.861 -6.936 1.00 0.00 C ATOM 599 O THR A 39 4.305 13.356 -7.441 1.00 0.00 O ATOM 600 CB THR A 39 3.202 14.524 -5.067 1.00 0.00 C ATOM 601 OG1 THR A 39 4.116 13.685 -4.373 1.00 0.00 O ATOM 602 CG2 THR A 39 2.262 15.195 -4.064 1.00 0.00 C ATOM 0 H THR A 39 0.486 13.009 -5.362 1.00 0.00 H new ATOM 0 HA THR A 39 1.790 14.351 -6.677 1.00 0.00 H new ATOM 0 HB THR A 39 3.755 15.288 -5.614 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.972 12.753 -4.640 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.845 15.793 -3.363 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.562 15.839 -4.596 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.709 14.432 -3.517 1.00 0.00 H new ATOM 610 N ILE A 40 3.011 11.602 -7.132 1.00 0.00 N ATOM 611 CA ILE A 40 3.879 10.743 -7.989 1.00 0.00 C ATOM 612 C ILE A 40 3.372 10.811 -9.437 1.00 0.00 C ATOM 613 O ILE A 40 4.055 10.424 -10.364 1.00 0.00 O ATOM 614 CB ILE A 40 3.815 9.291 -7.471 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.968 8.461 -8.076 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.465 8.664 -7.849 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.230 8.601 -7.214 1.00 0.00 C ATOM 0 H ILE A 40 2.197 11.134 -6.734 1.00 0.00 H new ATOM 0 HA ILE A 40 4.911 11.091 -7.954 1.00 0.00 H new ATOM 0 HB ILE A 40 3.916 9.296 -6.386 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.677 7.413 -8.140 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.174 8.797 -9.092 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.424 7.639 -7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.657 9.243 -7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.354 8.665 -8.933 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.036 8.011 -7.651 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.528 9.649 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.023 8.243 -6.206 1.00 0.00 H new ATOM 629 N LEU A 41 2.178 11.305 -9.633 1.00 0.00 N ATOM 630 CA LEU A 41 1.620 11.408 -11.010 1.00 0.00 C ATOM 631 C LEU A 41 2.461 12.386 -11.839 1.00 0.00 C ATOM 632 O LEU A 41 2.746 12.151 -12.996 1.00 0.00 O ATOM 633 CB LEU A 41 0.178 11.921 -10.930 1.00 0.00 C ATOM 634 CG LEU A 41 -0.635 11.055 -9.959 1.00 0.00 C ATOM 635 CD1 LEU A 41 -2.054 11.621 -9.843 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.701 9.609 -10.476 1.00 0.00 C ATOM 0 H LEU A 41 1.563 11.643 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 41 1.639 10.427 -11.484 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.171 12.959 -10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.279 11.900 -11.919 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.154 11.063 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.635 11.008 -9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.008 12.644 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.530 11.614 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.280 9.000 -9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.178 9.594 -11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.308 9.205 -10.558 1.00 0.00 H new ATOM 648 N ALA A 42 2.850 13.485 -11.253 1.00 0.00 N ATOM 649 CA ALA A 42 3.667 14.489 -11.992 1.00 0.00 C ATOM 650 C ALA A 42 5.056 13.921 -12.282 1.00 0.00 C ATOM 651 O ALA A 42 5.654 14.202 -13.302 1.00 0.00 O ATOM 652 CB ALA A 42 3.803 15.755 -11.144 1.00 0.00 C ATOM 0 H ALA A 42 2.635 13.732 -10.287 1.00 0.00 H new ATOM 0 HA ALA A 42 3.174 14.727 -12.935 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.400 16.491 -11.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.814 16.167 -10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.292 15.511 -10.201 1.00 0.00 H new ATOM 658 N LYS A 43 5.579 13.137 -11.382 1.00 0.00 N ATOM 659 CA LYS A 43 6.936 12.562 -11.588 1.00 0.00 C ATOM 660 C LYS A 43 6.843 11.310 -12.456 1.00 0.00 C ATOM 661 O LYS A 43 7.370 11.266 -13.550 1.00 0.00 O ATOM 662 CB LYS A 43 7.529 12.184 -10.231 1.00 0.00 C ATOM 663 CG LYS A 43 7.860 13.454 -9.443 1.00 0.00 C ATOM 664 CD LYS A 43 8.313 13.084 -8.024 1.00 0.00 C ATOM 665 CE LYS A 43 9.753 12.559 -8.045 1.00 0.00 C ATOM 666 NZ LYS A 43 10.255 12.432 -6.647 1.00 0.00 N ATOM 0 H LYS A 43 5.123 12.869 -10.510 1.00 0.00 H new ATOM 0 HA LYS A 43 7.569 13.299 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.822 11.571 -9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.429 11.585 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.646 14.013 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.985 14.103 -9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.246 13.957 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.648 12.326 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.792 11.592 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.391 13.237 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.232 12.076 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.232 13.363 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.652 11.768 -6.120 1.00 0.00 H new ATOM 680 N GLU A 44 6.186 10.285 -11.968 1.00 0.00 N ATOM 681 CA GLU A 44 6.059 9.012 -12.747 1.00 0.00 C ATOM 682 C GLU A 44 4.588 8.740 -13.057 1.00 0.00 C ATOM 683 O GLU A 44 3.711 9.014 -12.264 1.00 0.00 O ATOM 684 CB GLU A 44 6.640 7.861 -11.923 1.00 0.00 C ATOM 685 CG GLU A 44 8.142 8.084 -11.720 1.00 0.00 C ATOM 686 CD GLU A 44 8.860 8.019 -13.071 1.00 0.00 C ATOM 687 OE1 GLU A 44 8.291 7.461 -13.995 1.00 0.00 O ATOM 688 OE2 GLU A 44 9.965 8.529 -13.160 1.00 0.00 O ATOM 0 H GLU A 44 5.729 10.276 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 44 6.606 9.100 -13.686 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.137 7.801 -10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.468 6.913 -12.432 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.316 9.053 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.544 7.327 -11.047 1.00 0.00 H new ATOM 695 N SER A 45 4.320 8.211 -14.218 1.00 0.00 N ATOM 696 CA SER A 45 2.913 7.925 -14.613 1.00 0.00 C ATOM 697 C SER A 45 2.385 6.703 -13.854 1.00 0.00 C ATOM 698 O SER A 45 3.138 5.914 -13.317 1.00 0.00 O ATOM 699 CB SER A 45 2.863 7.654 -16.117 1.00 0.00 C ATOM 700 OG SER A 45 2.926 8.889 -16.815 1.00 0.00 O ATOM 0 H SER A 45 5.021 7.963 -14.916 1.00 0.00 H new ATOM 0 HA SER A 45 2.289 8.785 -14.368 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.694 7.013 -16.411 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.946 7.124 -16.373 1.00 0.00 H new ATOM 0 HG SER A 45 2.896 8.721 -17.780 1.00 0.00 H new ATOM 706 N THR A 46 1.090 6.546 -13.819 1.00 0.00 N ATOM 707 CA THR A 46 0.488 5.383 -13.111 1.00 0.00 C ATOM 708 C THR A 46 0.881 4.092 -13.837 1.00 0.00 C ATOM 709 O THR A 46 1.074 3.058 -13.228 1.00 0.00 O ATOM 710 CB THR A 46 -1.034 5.527 -13.125 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.475 5.679 -14.467 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.449 6.754 -12.310 1.00 0.00 C ATOM 0 H THR A 46 0.419 7.179 -14.254 1.00 0.00 H new ATOM 0 HA THR A 46 0.847 5.348 -12.082 1.00 0.00 H new ATOM 0 HB THR A 46 -1.486 4.638 -12.685 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.446 5.556 -14.508 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.535 6.850 -12.324 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.109 6.639 -11.281 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.000 7.648 -12.743 1.00 0.00 H new ATOM 720 N ASP A 47 0.990 4.146 -15.136 1.00 0.00 N ATOM 721 CA ASP A 47 1.360 2.930 -15.912 1.00 0.00 C ATOM 722 C ASP A 47 2.805 2.537 -15.603 1.00 0.00 C ATOM 723 O ASP A 47 3.190 1.392 -15.737 1.00 0.00 O ATOM 724 CB ASP A 47 1.218 3.223 -17.408 1.00 0.00 C ATOM 725 CG ASP A 47 2.149 4.375 -17.793 1.00 0.00 C ATOM 726 OD1 ASP A 47 2.759 4.941 -16.903 1.00 0.00 O ATOM 727 OD2 ASP A 47 2.232 4.673 -18.972 1.00 0.00 O ATOM 0 H ASP A 47 0.838 4.985 -15.696 1.00 0.00 H new ATOM 0 HA ASP A 47 0.699 2.109 -15.634 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.463 2.334 -17.988 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.185 3.482 -17.642 1.00 0.00 H new ATOM 732 N ASP A 48 3.615 3.477 -15.197 1.00 0.00 N ATOM 733 CA ASP A 48 5.035 3.154 -14.890 1.00 0.00 C ATOM 734 C ASP A 48 5.131 2.599 -13.470 1.00 0.00 C ATOM 735 O ASP A 48 6.160 2.103 -13.058 1.00 0.00 O ATOM 736 CB ASP A 48 5.871 4.431 -14.993 1.00 0.00 C ATOM 737 CG ASP A 48 7.360 4.082 -14.939 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.673 2.926 -14.710 1.00 0.00 O ATOM 739 OD2 ASP A 48 8.162 4.980 -15.132 1.00 0.00 O ATOM 0 H ASP A 48 3.353 4.454 -15.065 1.00 0.00 H new ATOM 0 HA ASP A 48 5.407 2.412 -15.597 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.644 4.951 -15.923 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.617 5.109 -14.178 1.00 0.00 H new ATOM 744 N ILE A 49 4.061 2.667 -12.718 1.00 0.00 N ATOM 745 CA ILE A 49 4.087 2.133 -11.324 1.00 0.00 C ATOM 746 C ILE A 49 3.516 0.720 -11.330 1.00 0.00 C ATOM 747 O ILE A 49 2.338 0.520 -11.552 1.00 0.00 O ATOM 748 CB ILE A 49 3.244 3.030 -10.413 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.897 4.413 -10.334 1.00 0.00 C ATOM 750 CG2 ILE A 49 3.176 2.419 -9.010 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.957 5.391 -9.630 1.00 0.00 C ATOM 0 H ILE A 49 3.171 3.070 -13.010 1.00 0.00 H new ATOM 0 HA ILE A 49 5.111 2.115 -10.952 1.00 0.00 H new ATOM 0 HB ILE A 49 2.235 3.118 -10.816 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.841 4.349 -9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.128 4.774 -11.336 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.576 3.059 -8.363 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.721 1.430 -9.065 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.183 2.333 -8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.427 6.373 -9.577 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.024 5.465 -10.189 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.749 5.033 -8.622 1.00 0.00 H new ATOM 763 N THR A 50 4.349 -0.262 -11.091 1.00 0.00 N ATOM 764 CA THR A 50 3.877 -1.681 -11.083 1.00 0.00 C ATOM 765 C THR A 50 4.286 -2.357 -9.775 1.00 0.00 C ATOM 766 O THR A 50 5.442 -2.375 -9.403 1.00 0.00 O ATOM 767 CB THR A 50 4.510 -2.422 -12.261 1.00 0.00 C ATOM 768 OG1 THR A 50 4.125 -1.789 -13.475 1.00 0.00 O ATOM 769 CG2 THR A 50 4.031 -3.874 -12.270 1.00 0.00 C ATOM 0 H THR A 50 5.343 -0.140 -10.900 1.00 0.00 H new ATOM 0 HA THR A 50 2.791 -1.705 -11.170 1.00 0.00 H new ATOM 0 HB THR A 50 5.595 -2.400 -12.164 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.530 -2.260 -14.233 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.483 -4.401 -13.110 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.322 -4.359 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.946 -3.898 -12.368 1.00 0.00 H new ATOM 777 N GLY A 51 3.338 -2.931 -9.087 1.00 0.00 N ATOM 778 CA GLY A 51 3.644 -3.636 -7.812 1.00 0.00 C ATOM 779 C GLY A 51 4.028 -2.634 -6.726 1.00 0.00 C ATOM 780 O GLY A 51 4.491 -1.544 -7.003 1.00 0.00 O ATOM 0 H GLY A 51 2.355 -2.941 -9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.777 -4.214 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.459 -4.343 -7.967 1.00 0.00 H new ATOM 784 N MET A 52 3.843 -3.008 -5.481 1.00 0.00 N ATOM 785 CA MET A 52 4.192 -2.105 -4.342 1.00 0.00 C ATOM 786 C MET A 52 5.279 -2.760 -3.494 1.00 0.00 C ATOM 787 O MET A 52 5.199 -3.924 -3.154 1.00 0.00 O ATOM 788 CB MET A 52 2.947 -1.867 -3.489 1.00 0.00 C ATOM 789 CG MET A 52 3.297 -0.930 -2.333 1.00 0.00 C ATOM 790 SD MET A 52 1.787 -0.506 -1.430 1.00 0.00 S ATOM 791 CE MET A 52 1.390 -2.172 -0.841 1.00 0.00 C ATOM 0 H MET A 52 3.460 -3.912 -5.205 1.00 0.00 H new ATOM 0 HA MET A 52 4.557 -1.152 -4.724 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.154 -1.432 -4.097 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.570 -2.814 -3.103 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.012 -1.410 -1.664 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.773 -0.026 -2.713 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.977 -2.113 0.166 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.658 -2.629 -1.507 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.296 -2.778 -0.827 1.00 0.00 H new ATOM 801 N TYR A 53 6.300 -2.014 -3.157 1.00 0.00 N ATOM 802 CA TYR A 53 7.416 -2.565 -2.335 1.00 0.00 C ATOM 803 C TYR A 53 7.359 -1.966 -0.931 1.00 0.00 C ATOM 804 O TYR A 53 7.459 -0.765 -0.750 1.00 0.00 O ATOM 805 CB TYR A 53 8.740 -2.188 -2.998 1.00 0.00 C ATOM 806 CG TYR A 53 8.847 -2.898 -4.328 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.221 -2.362 -5.461 1.00 0.00 C ATOM 808 CD2 TYR A 53 9.567 -4.093 -4.425 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.317 -3.024 -6.691 1.00 0.00 C ATOM 810 CE2 TYR A 53 9.663 -4.755 -5.655 1.00 0.00 C ATOM 811 CZ TYR A 53 9.039 -4.220 -6.788 1.00 0.00 C ATOM 812 OH TYR A 53 9.133 -4.873 -8.001 1.00 0.00 O ATOM 0 H TYR A 53 6.408 -1.035 -3.421 1.00 0.00 H new ATOM 0 HA TYR A 53 7.329 -3.649 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.794 -1.109 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.575 -2.466 -2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.665 -1.439 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.049 -4.505 -3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.834 -2.612 -7.565 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.218 -5.678 -5.730 1.00 0.00 H new ATOM 0 HH TYR A 53 9.670 -5.686 -7.894 1.00 0.00 H new ATOM 822 N LEU A 54 7.205 -2.799 0.066 1.00 0.00 N ATOM 823 CA LEU A 54 7.149 -2.300 1.471 1.00 0.00 C ATOM 824 C LEU A 54 8.520 -2.494 2.110 1.00 0.00 C ATOM 825 O LEU A 54 8.921 -3.602 2.401 1.00 0.00 O ATOM 826 CB LEU A 54 6.099 -3.105 2.242 1.00 0.00 C ATOM 827 CG LEU A 54 4.781 -3.110 1.459 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.760 -3.999 2.175 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.234 -1.684 1.364 1.00 0.00 C ATOM 0 H LEU A 54 7.115 -3.810 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 54 6.881 -1.244 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.448 -4.126 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.946 -2.671 3.230 1.00 0.00 H new ATOM 0 HG LEU A 54 4.961 -3.498 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.824 -4.001 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.146 -5.016 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.583 -3.613 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.297 -1.690 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.058 -1.294 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.957 -1.050 0.851 1.00 0.00 H new ATOM 841 N ILE A 55 9.247 -1.424 2.316 1.00 0.00 N ATOM 842 CA ILE A 55 10.616 -1.528 2.922 1.00 0.00 C ATOM 843 C ILE A 55 10.636 -0.829 4.282 1.00 0.00 C ATOM 844 O ILE A 55 9.741 -0.079 4.618 1.00 0.00 O ATOM 845 CB ILE A 55 11.620 -0.844 1.995 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.674 -1.600 0.664 1.00 0.00 C ATOM 847 CG2 ILE A 55 13.008 -0.846 2.647 1.00 0.00 C ATOM 848 CD1 ILE A 55 12.468 -0.787 -0.359 1.00 0.00 C ATOM 0 H ILE A 55 8.951 -0.475 2.089 1.00 0.00 H new ATOM 0 HA ILE A 55 10.877 -2.578 3.053 1.00 0.00 H new ATOM 0 HB ILE A 55 11.310 0.186 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.139 -2.575 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.664 -1.779 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.722 -0.358 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.966 -0.308 3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.324 -1.874 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.504 -1.328 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.984 0.178 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.482 -0.631 0.009 1.00 0.00 H new ATOM 860 N ASP A 56 11.656 -1.075 5.067 1.00 0.00 N ATOM 861 CA ASP A 56 11.749 -0.430 6.410 1.00 0.00 C ATOM 862 C ASP A 56 13.221 -0.282 6.817 1.00 0.00 C ATOM 863 O ASP A 56 13.990 0.409 6.178 1.00 0.00 O ATOM 864 CB ASP A 56 11.034 -1.303 7.443 1.00 0.00 C ATOM 865 CG ASP A 56 11.125 -0.641 8.821 1.00 0.00 C ATOM 866 OD1 ASP A 56 11.804 0.367 8.926 1.00 0.00 O ATOM 867 OD2 ASP A 56 10.520 -1.155 9.744 1.00 0.00 O ATOM 0 H ASP A 56 12.430 -1.697 4.833 1.00 0.00 H new ATOM 0 HA ASP A 56 11.282 0.554 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.990 -1.438 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.487 -2.294 7.473 1.00 0.00 H new ATOM 872 N ASP A 57 13.609 -0.920 7.891 1.00 0.00 N ATOM 873 CA ASP A 57 15.012 -0.825 8.370 1.00 0.00 C ATOM 874 C ASP A 57 15.910 -1.754 7.546 1.00 0.00 C ATOM 875 O ASP A 57 17.108 -1.571 7.475 1.00 0.00 O ATOM 876 CB ASP A 57 15.050 -1.247 9.840 1.00 0.00 C ATOM 877 CG ASP A 57 14.369 -0.178 10.696 1.00 0.00 C ATOM 878 OD1 ASP A 57 14.149 0.910 10.188 1.00 0.00 O ATOM 879 OD2 ASP A 57 14.076 -0.465 11.846 1.00 0.00 O ATOM 0 H ASP A 57 13.002 -1.509 8.461 1.00 0.00 H new ATOM 0 HA ASP A 57 15.373 0.198 8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.546 -2.205 9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.082 -1.384 10.163 1.00 0.00 H new ATOM 884 N GLU A 58 15.335 -2.747 6.921 1.00 0.00 N ATOM 885 CA GLU A 58 16.142 -3.693 6.096 1.00 0.00 C ATOM 886 C GLU A 58 15.196 -4.669 5.401 1.00 0.00 C ATOM 887 O GLU A 58 15.338 -4.966 4.232 1.00 0.00 O ATOM 888 CB GLU A 58 17.100 -4.489 6.994 1.00 0.00 C ATOM 889 CG GLU A 58 17.962 -5.416 6.130 1.00 0.00 C ATOM 890 CD GLU A 58 18.976 -6.150 7.008 1.00 0.00 C ATOM 891 OE1 GLU A 58 19.176 -5.722 8.133 1.00 0.00 O ATOM 892 OE2 GLU A 58 19.538 -7.126 6.540 1.00 0.00 O ATOM 0 H GLU A 58 14.335 -2.945 6.947 1.00 0.00 H new ATOM 0 HA GLU A 58 16.719 -3.130 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.735 -3.807 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.534 -5.073 7.719 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.329 -6.136 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.481 -4.837 5.366 1.00 0.00 H new ATOM 899 N GLY A 59 14.237 -5.179 6.124 1.00 0.00 N ATOM 900 CA GLY A 59 13.279 -6.152 5.535 1.00 0.00 C ATOM 901 C GLY A 59 12.520 -5.512 4.375 1.00 0.00 C ATOM 902 O GLY A 59 12.239 -4.329 4.377 1.00 0.00 O ATOM 0 H GLY A 59 14.076 -4.960 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.815 -7.034 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.576 -6.488 6.297 1.00 0.00 H new ATOM 906 N GLU A 60 12.175 -6.291 3.381 1.00 0.00 N ATOM 907 CA GLU A 60 11.423 -5.741 2.215 1.00 0.00 C ATOM 908 C GLU A 60 10.428 -6.782 1.709 1.00 0.00 C ATOM 909 O GLU A 60 10.671 -7.971 1.771 1.00 0.00 O ATOM 910 CB GLU A 60 12.404 -5.379 1.097 1.00 0.00 C ATOM 911 CG GLU A 60 13.179 -6.623 0.657 1.00 0.00 C ATOM 912 CD GLU A 60 14.180 -6.234 -0.430 1.00 0.00 C ATOM 913 OE1 GLU A 60 14.116 -5.104 -0.886 1.00 0.00 O ATOM 914 OE2 GLU A 60 14.990 -7.070 -0.789 1.00 0.00 O ATOM 0 H GLU A 60 12.383 -7.288 3.328 1.00 0.00 H new ATOM 0 HA GLU A 60 10.882 -4.847 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.863 -4.959 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.097 -4.613 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.700 -7.061 1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.491 -7.380 0.280 1.00 0.00 H new ATOM 921 N ILE A 61 9.306 -6.335 1.202 1.00 0.00 N ATOM 922 CA ILE A 61 8.272 -7.276 0.674 1.00 0.00 C ATOM 923 C ILE A 61 7.881 -6.833 -0.732 1.00 0.00 C ATOM 924 O ILE A 61 7.730 -5.656 -1.001 1.00 0.00 O ATOM 925 CB ILE A 61 7.042 -7.255 1.577 1.00 0.00 C ATOM 926 CG1 ILE A 61 7.443 -7.694 2.987 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.994 -8.217 1.019 1.00 0.00 C ATOM 928 CD1 ILE A 61 6.286 -7.448 3.961 1.00 0.00 C ATOM 0 H ILE A 61 9.060 -5.348 1.131 1.00 0.00 H new ATOM 0 HA ILE A 61 8.674 -8.289 0.649 1.00 0.00 H new ATOM 0 HB ILE A 61 6.628 -6.247 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.710 -8.751 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.326 -7.143 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.113 -8.206 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.714 -7.906 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.407 -9.225 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.580 -7.763 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.040 -6.386 3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.414 -8.019 3.642 1.00 0.00 H new ATOM 940 N ILE A 62 7.731 -7.763 -1.639 1.00 0.00 N ATOM 941 CA ILE A 62 7.369 -7.408 -3.044 1.00 0.00 C ATOM 942 C ILE A 62 5.904 -7.744 -3.297 1.00 0.00 C ATOM 943 O ILE A 62 5.451 -8.837 -3.017 1.00 0.00 O ATOM 944 CB ILE A 62 8.238 -8.219 -4.002 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.721 -7.900 -3.739 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.883 -7.852 -5.446 1.00 0.00 C ATOM 947 CD1 ILE A 62 10.183 -8.479 -2.389 1.00 0.00 C ATOM 0 H ILE A 62 7.845 -8.762 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 62 7.530 -6.342 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 62 8.061 -9.283 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.332 -8.311 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.870 -6.820 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.503 -8.430 -6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.832 -8.076 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.061 -6.789 -5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.234 -8.238 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.587 -8.048 -1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.056 -9.562 -2.395 1.00 0.00 H new ATOM 959 N THR A 63 5.160 -6.805 -3.829 1.00 0.00 N ATOM 960 CA THR A 63 3.714 -7.040 -4.119 1.00 0.00 C ATOM 961 C THR A 63 3.456 -6.804 -5.604 1.00 0.00 C ATOM 962 O THR A 63 3.831 -5.789 -6.153 1.00 0.00 O ATOM 963 CB THR A 63 2.869 -6.065 -3.295 1.00 0.00 C ATOM 964 OG1 THR A 63 3.121 -6.283 -1.913 1.00 0.00 O ATOM 965 CG2 THR A 63 1.383 -6.294 -3.585 1.00 0.00 C ATOM 0 H THR A 63 5.499 -5.875 -4.077 1.00 0.00 H new ATOM 0 HA THR A 63 3.447 -8.064 -3.859 1.00 0.00 H new ATOM 0 HB THR A 63 3.132 -5.041 -3.561 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.584 -5.660 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.786 -5.598 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.190 -6.131 -4.645 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.114 -7.317 -3.320 1.00 0.00 H new ATOM 973 N ARG A 64 2.814 -7.741 -6.251 1.00 0.00 N ATOM 974 CA ARG A 64 2.509 -7.601 -7.707 1.00 0.00 C ATOM 975 C ARG A 64 0.998 -7.452 -7.880 1.00 0.00 C ATOM 976 O ARG A 64 0.390 -8.085 -8.719 1.00 0.00 O ATOM 977 CB ARG A 64 2.994 -8.859 -8.435 1.00 0.00 C ATOM 978 CG ARG A 64 4.508 -9.038 -8.231 1.00 0.00 C ATOM 979 CD ARG A 64 5.289 -8.118 -9.178 1.00 0.00 C ATOM 980 NE ARG A 64 4.890 -8.401 -10.586 1.00 0.00 N ATOM 981 CZ ARG A 64 5.433 -9.394 -11.238 1.00 0.00 C ATOM 982 NH1 ARG A 64 6.318 -10.156 -10.656 1.00 0.00 N ATOM 983 NH2 ARG A 64 5.083 -9.627 -12.472 1.00 0.00 N ATOM 0 H ARG A 64 2.484 -8.608 -5.828 1.00 0.00 H new ATOM 0 HA ARG A 64 3.010 -6.726 -8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.463 -9.733 -8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.769 -8.782 -9.499 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.771 -8.814 -7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.785 -10.076 -8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.090 -7.074 -8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.360 -8.275 -9.054 1.00 0.00 H new ATOM 0 HE ARG A 64 4.190 -7.817 -11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.588 -9.977 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.740 -10.931 -11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.387 -9.035 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.505 -10.402 -12.984 1.00 0.00 H new ATOM 997 N GLU A 65 0.388 -6.610 -7.090 1.00 0.00 N ATOM 998 CA GLU A 65 -1.084 -6.399 -7.197 1.00 0.00 C ATOM 999 C GLU A 65 -1.382 -4.929 -6.927 1.00 0.00 C ATOM 1000 O GLU A 65 -1.768 -4.557 -5.835 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.805 -7.272 -6.169 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.584 -8.758 -6.491 1.00 0.00 C ATOM 1003 CD GLU A 65 -0.226 -9.214 -5.947 1.00 0.00 C ATOM 1004 OE1 GLU A 65 0.504 -8.375 -5.445 1.00 0.00 O ATOM 1005 OE2 GLU A 65 0.061 -10.396 -6.043 1.00 0.00 O ATOM 0 H GLU A 65 0.850 -6.055 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.431 -6.672 -8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.435 -7.050 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.871 -7.046 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.381 -9.357 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.625 -8.915 -7.569 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.196 -4.088 -7.915 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.456 -2.627 -7.739 1.00 0.00 C ATOM 1014 C VAL A 66 -2.395 -2.138 -8.839 1.00 0.00 C ATOM 1015 O VAL A 66 -2.223 -2.448 -9.999 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.128 -1.868 -7.814 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.392 -0.361 -7.906 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.684 -2.162 -6.552 1.00 0.00 C ATOM 0 H VAL A 66 -0.872 -4.355 -8.844 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.922 -2.450 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 66 0.424 -2.189 -8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.557 0.172 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.978 -0.148 -8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.943 -0.034 -7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.632 -1.626 -6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.124 -1.837 -5.675 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.876 -3.233 -6.484 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.384 -1.363 -8.470 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.351 -0.822 -9.471 1.00 0.00 C ATOM 1030 C LYS A 67 -4.436 0.694 -9.317 1.00 0.00 C ATOM 1031 O LYS A 67 -4.393 1.221 -8.224 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.723 -1.442 -9.229 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.656 -2.937 -9.549 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.061 -3.542 -9.489 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.570 -3.559 -8.046 1.00 0.00 C ATOM 1036 NZ LYS A 67 -8.729 -4.490 -7.944 1.00 0.00 N ATOM 0 H LYS A 67 -3.564 -1.080 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.017 -1.065 -10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.027 -1.292 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.472 -0.956 -9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.227 -3.088 -10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.002 -3.442 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.741 -2.964 -10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.045 -4.556 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.774 -3.875 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.867 -2.556 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.078 -4.504 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.489 -4.169 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.430 -5.447 -8.219 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.539 1.400 -10.414 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.605 2.889 -10.354 1.00 0.00 C ATOM 1052 C GLY A 68 -6.057 3.367 -10.404 1.00 0.00 C ATOM 1053 O GLY A 68 -6.866 2.858 -11.154 1.00 0.00 O ATOM 0 H GLY A 68 -4.580 1.005 -11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.132 3.243 -9.438 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.047 3.317 -11.187 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.389 4.362 -9.621 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.782 4.894 -9.631 1.00 0.00 C ATOM 1059 C LYS A 69 -7.864 6.014 -10.666 1.00 0.00 C ATOM 1060 O LYS A 69 -7.359 7.108 -10.456 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.119 5.455 -8.252 1.00 0.00 C ATOM 1062 CG LYS A 69 -7.765 4.417 -7.181 1.00 0.00 C ATOM 1063 CD LYS A 69 -8.360 4.830 -5.822 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.797 4.311 -5.704 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.341 4.656 -4.362 1.00 0.00 N ATOM 0 H LYS A 69 -5.753 4.829 -8.975 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.486 4.100 -9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.566 6.378 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.179 5.704 -8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.148 3.439 -7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.682 4.324 -7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.751 4.429 -5.011 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.347 5.915 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.419 4.750 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.818 3.231 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.083 3.975 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.577 4.620 -3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.744 5.614 -4.387 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.483 5.740 -11.789 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.594 6.764 -12.868 1.00 0.00 C ATOM 1081 C PHE A 70 -9.921 7.508 -12.751 1.00 0.00 C ATOM 1082 O PHE A 70 -10.963 6.916 -12.552 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.527 6.063 -14.229 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.106 5.641 -14.506 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -6.200 6.558 -15.050 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -6.692 4.338 -14.212 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -4.880 6.172 -15.304 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -5.371 3.950 -14.464 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.464 4.867 -15.011 1.00 0.00 C ATOM 0 H PHE A 70 -8.919 4.843 -12.003 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.776 7.478 -12.772 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.184 5.193 -14.235 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.878 6.733 -15.013 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.520 7.565 -15.274 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.391 3.631 -13.791 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.182 6.880 -15.726 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.051 2.944 -14.237 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.445 4.568 -15.207 1.00 0.00 H new ATOM 1099 N ILE A 71 -9.876 8.810 -12.880 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.115 9.637 -12.783 1.00 0.00 C ATOM 1101 C ILE A 71 -11.388 10.303 -14.130 1.00 0.00 C ATOM 1102 O ILE A 71 -10.509 10.881 -14.739 1.00 0.00 O ATOM 1103 CB ILE A 71 -10.922 10.707 -11.711 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -10.569 10.037 -10.372 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.206 11.523 -11.564 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -11.635 9.005 -9.977 1.00 0.00 C ATOM 0 H ILE A 71 -9.022 9.341 -13.051 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.961 9.003 -12.517 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.109 11.372 -12.003 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.597 9.550 -10.450 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.484 10.795 -9.593 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.066 12.286 -10.798 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.444 12.001 -12.514 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.025 10.864 -11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.362 8.546 -9.027 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.601 9.500 -9.877 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.700 8.236 -10.747 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.604 10.211 -14.594 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.985 10.819 -15.902 1.00 0.00 C ATOM 1120 C ASN A 72 -11.914 10.528 -16.956 1.00 0.00 C ATOM 1121 O ASN A 72 -11.881 11.145 -18.002 1.00 0.00 O ATOM 1122 CB ASN A 72 -13.176 12.333 -15.747 1.00 0.00 C ATOM 1123 CG ASN A 72 -11.856 12.999 -15.356 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -10.856 12.838 -16.026 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -11.813 13.751 -14.290 1.00 0.00 N ATOM 0 H ASN A 72 -13.364 9.731 -14.113 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.926 10.378 -16.230 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.542 12.757 -16.682 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.932 12.535 -14.988 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.940 14.203 -14.020 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.653 13.886 -13.727 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.054 9.572 -16.696 1.00 0.00 N ATOM 1133 CA GLY A 73 -9.990 9.209 -17.685 1.00 0.00 C ATOM 1134 C GLY A 73 -8.622 9.650 -17.170 1.00 0.00 C ATOM 1135 O GLY A 73 -7.610 9.106 -17.563 1.00 0.00 O ATOM 0 H GLY A 73 -11.044 9.024 -15.836 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.993 8.132 -17.855 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.197 9.684 -18.644 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.571 10.633 -16.300 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.248 11.106 -15.779 1.00 0.00 C ATOM 1141 C ARG A 74 -6.989 10.518 -14.376 1.00 0.00 C ATOM 1142 O ARG A 74 -7.908 10.316 -13.607 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.252 12.645 -15.718 1.00 0.00 C ATOM 1144 CG ARG A 74 -7.985 13.140 -14.462 1.00 0.00 C ATOM 1145 CD ARG A 74 -8.327 14.623 -14.625 1.00 0.00 C ATOM 1146 NE ARG A 74 -9.225 14.789 -15.803 1.00 0.00 N ATOM 1147 CZ ARG A 74 -9.599 15.980 -16.186 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -9.187 17.037 -15.542 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -10.386 16.111 -17.219 1.00 0.00 N ATOM 0 H ARG A 74 -9.384 11.125 -15.930 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.453 10.771 -16.445 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.227 13.016 -15.716 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.735 13.047 -16.609 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.895 12.560 -14.306 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.360 12.994 -13.581 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.814 14.998 -13.725 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.416 15.206 -14.761 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.549 13.967 -16.313 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.570 16.935 -14.736 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.482 17.966 -15.845 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.707 15.285 -17.724 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.680 17.040 -17.521 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.743 10.250 -14.042 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.369 9.684 -12.710 1.00 0.00 C ATOM 1165 C PRO A 75 -5.626 10.662 -11.558 1.00 0.00 C ATOM 1166 O PRO A 75 -5.436 11.855 -11.682 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.867 9.375 -12.850 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.386 10.292 -13.925 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.556 10.456 -14.892 1.00 0.00 C ATOM 0 HA PRO A 75 -5.968 8.808 -12.462 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.338 9.552 -11.914 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.701 8.331 -13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.084 11.254 -13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.516 9.876 -14.432 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.560 11.444 -15.352 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.512 9.727 -15.701 1.00 0.00 H new ATOM 1177 N THR A 76 -6.049 10.148 -10.434 1.00 0.00 N ATOM 1178 CA THR A 76 -6.320 11.013 -9.250 1.00 0.00 C ATOM 1179 C THR A 76 -5.848 10.289 -7.989 1.00 0.00 C ATOM 1180 O THR A 76 -5.461 10.906 -7.016 1.00 0.00 O ATOM 1181 CB THR A 76 -7.825 11.280 -9.148 1.00 0.00 C ATOM 1182 OG1 THR A 76 -8.342 11.547 -10.444 1.00 0.00 O ATOM 1183 CG2 THR A 76 -8.078 12.481 -8.237 1.00 0.00 C ATOM 0 H THR A 76 -6.220 9.154 -10.285 1.00 0.00 H new ATOM 0 HA THR A 76 -5.790 11.960 -9.355 1.00 0.00 H new ATOM 0 HB THR A 76 -8.321 10.405 -8.729 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.876 12.368 -10.420 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.150 12.666 -8.168 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.681 12.274 -7.243 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.584 13.361 -8.649 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.882 8.980 -7.990 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.442 8.229 -6.780 1.00 0.00 C ATOM 1193 C ALA A 77 -5.015 6.820 -7.179 1.00 0.00 C ATOM 1194 O ALA A 77 -5.199 6.402 -8.305 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.601 8.154 -5.779 1.00 0.00 C ATOM 0 H ALA A 77 -6.194 8.404 -8.772 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.598 8.742 -6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.282 7.605 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.900 9.162 -5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.446 7.641 -6.238 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.440 6.085 -6.256 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.988 4.694 -6.561 1.00 0.00 C ATOM 1203 C ILE A 78 -4.466 3.731 -5.477 1.00 0.00 C ATOM 1204 O ILE A 78 -4.535 4.068 -4.313 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.462 4.668 -6.663 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.047 5.470 -7.900 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -1.975 3.223 -6.796 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.533 5.671 -7.906 1.00 0.00 C ATOM 0 H ILE A 78 -4.264 6.393 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.416 4.376 -7.512 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.020 5.104 -5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.357 4.946 -8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.551 6.437 -7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.887 3.211 -6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.287 2.652 -5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.403 2.776 -7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.245 6.242 -8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.234 6.214 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.037 4.700 -7.924 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.809 2.529 -5.864 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.292 1.512 -4.885 1.00 0.00 C ATOM 1222 C GLU A 79 -4.485 0.229 -5.060 1.00 0.00 C ATOM 1223 O GLU A 79 -4.143 -0.152 -6.164 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.771 1.221 -5.156 1.00 0.00 C ATOM 1225 CG GLU A 79 -7.287 0.193 -4.148 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.783 -0.028 -4.367 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -9.385 0.775 -5.061 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -9.303 -0.997 -3.839 1.00 0.00 O ATOM 0 H GLU A 79 -4.774 2.206 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.171 1.887 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.352 2.140 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.898 0.845 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.749 -0.748 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.105 0.541 -3.131 1.00 0.00 H new ATOM 1235 N ALA A 80 -4.182 -0.445 -3.984 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.401 -1.714 -4.086 1.00 0.00 C ATOM 1237 C ALA A 80 -3.933 -2.708 -3.057 1.00 0.00 C ATOM 1238 O ALA A 80 -4.325 -2.335 -1.970 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.924 -1.428 -3.809 1.00 0.00 C ATOM 0 H ALA A 80 -4.442 -0.172 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.503 -2.132 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.354 -2.354 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.549 -0.711 -4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.815 -1.015 -2.806 1.00 0.00 H new ATOM 1245 N THR A 81 -3.957 -3.973 -3.401 1.00 0.00 N ATOM 1246 CA THR A 81 -4.474 -5.014 -2.459 1.00 0.00 C ATOM 1247 C THR A 81 -3.403 -6.078 -2.231 1.00 0.00 C ATOM 1248 O THR A 81 -2.785 -6.559 -3.160 1.00 0.00 O ATOM 1249 CB THR A 81 -5.715 -5.668 -3.067 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.716 -4.681 -3.265 1.00 0.00 O ATOM 1251 CG2 THR A 81 -6.240 -6.749 -2.121 1.00 0.00 C ATOM 0 H THR A 81 -3.638 -4.331 -4.301 1.00 0.00 H new ATOM 0 HA THR A 81 -4.729 -4.549 -1.507 1.00 0.00 H new ATOM 0 HB THR A 81 -5.457 -6.122 -4.024 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.512 -5.097 -3.656 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.125 -7.214 -2.556 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.470 -7.505 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.500 -6.299 -1.163 1.00 0.00 H new ATOM 1259 N VAL A 82 -3.193 -6.456 -0.994 1.00 0.00 N ATOM 1260 CA VAL A 82 -2.173 -7.500 -0.672 1.00 0.00 C ATOM 1261 C VAL A 82 -2.887 -8.739 -0.134 1.00 0.00 C ATOM 1262 O VAL A 82 -3.731 -8.657 0.738 1.00 0.00 O ATOM 1263 CB VAL A 82 -1.206 -6.950 0.384 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.361 -8.092 0.966 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.286 -5.914 -0.272 1.00 0.00 C ATOM 0 H VAL A 82 -3.690 -6.081 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.610 -7.767 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.774 -6.484 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.323 -7.693 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.016 -8.830 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.211 -8.565 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.405 -5.518 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.278 -6.386 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.886 -5.100 -0.679 1.00 0.00 H new ATOM 1275 N ILE A 83 -2.562 -9.887 -0.663 1.00 0.00 N ATOM 1276 CA ILE A 83 -3.221 -11.140 -0.207 1.00 0.00 C ATOM 1277 C ILE A 83 -2.460 -11.730 0.980 1.00 0.00 C ATOM 1278 O ILE A 83 -1.275 -11.999 0.905 1.00 0.00 O ATOM 1279 CB ILE A 83 -3.230 -12.137 -1.364 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -3.759 -11.448 -2.630 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -4.125 -13.326 -1.015 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -5.105 -10.769 -2.344 1.00 0.00 C ATOM 0 H ILE A 83 -1.864 -10.010 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.242 -10.926 0.107 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.215 -12.493 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.038 -10.709 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.876 -12.180 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.128 -14.034 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.745 -13.817 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.141 -12.976 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.468 -10.285 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.828 -11.517 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.977 -10.022 -1.560 1.00 0.00 H new ATOM 1294 N LEU A 84 -3.142 -11.938 2.077 1.00 0.00 N ATOM 1295 CA LEU A 84 -2.486 -12.517 3.285 1.00 0.00 C ATOM 1296 C LEU A 84 -2.786 -14.014 3.336 1.00 0.00 C ATOM 1297 O LEU A 84 -3.327 -14.522 4.299 1.00 0.00 O ATOM 1298 CB LEU A 84 -3.050 -11.829 4.531 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.802 -10.316 4.440 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -3.457 -9.620 5.638 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -1.291 -10.026 4.446 1.00 0.00 C ATOM 0 H LEU A 84 -4.134 -11.729 2.187 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.408 -12.364 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.118 -12.028 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.578 -12.232 5.427 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.234 -9.940 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.282 -8.546 5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.530 -9.814 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.026 -10.004 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.127 -8.950 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.851 -10.405 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.823 -10.517 3.593 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.438 -14.721 2.299 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.694 -16.185 2.265 1.00 0.00 C ATOM 1315 C ASN A 85 -1.874 -16.870 3.357 1.00 0.00 C ATOM 1316 O ASN A 85 -2.330 -17.790 4.005 1.00 0.00 O ATOM 1317 CB ASN A 85 -2.277 -16.737 0.897 1.00 0.00 C ATOM 1318 CG ASN A 85 -3.252 -16.265 -0.183 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -4.502 -16.051 0.123 1.00 0.00 O flip ATOM 1320 ND2 ASN A 85 -2.872 -16.095 -1.324 1.00 0.00 N flip ATOM 0 H ASN A 85 -1.984 -14.344 1.467 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.754 -16.376 2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.267 -16.405 0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.256 -17.826 0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.895 -16.261 -1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.530 -15.786 -2.040 1.00 0.00 H new ATOM 1327 N SER A 86 -0.656 -16.441 3.555 1.00 0.00 N ATOM 1328 CA SER A 86 0.202 -17.082 4.592 1.00 0.00 C ATOM 1329 C SER A 86 -0.106 -16.486 5.971 1.00 0.00 C ATOM 1330 O SER A 86 -0.419 -15.319 6.104 1.00 0.00 O ATOM 1331 CB SER A 86 1.672 -16.851 4.234 1.00 0.00 C ATOM 1332 OG SER A 86 1.829 -16.959 2.827 1.00 0.00 O ATOM 0 H SER A 86 -0.219 -15.675 3.043 1.00 0.00 H new ATOM 0 HA SER A 86 -0.001 -18.152 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.992 -15.866 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.302 -17.583 4.740 1.00 0.00 H new ATOM 0 HG SER A 86 2.768 -16.810 2.590 1.00 0.00 H new ATOM 1338 N GLN A 87 -0.026 -17.290 7.000 1.00 0.00 N ATOM 1339 CA GLN A 87 -0.323 -16.796 8.376 1.00 0.00 C ATOM 1340 C GLN A 87 0.803 -15.865 8.863 1.00 0.00 C ATOM 1341 O GLN A 87 0.544 -14.802 9.392 1.00 0.00 O ATOM 1342 CB GLN A 87 -0.475 -18.014 9.321 1.00 0.00 C ATOM 1343 CG GLN A 87 -1.859 -18.018 9.978 1.00 0.00 C ATOM 1344 CD GLN A 87 -2.010 -16.765 10.840 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -0.958 -16.042 11.110 1.00 0.00 O flip ATOM 1346 NE2 GLN A 87 -3.098 -16.441 11.272 1.00 0.00 N flip ATOM 0 H GLN A 87 0.234 -18.275 6.944 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.251 -16.224 8.372 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -0.331 -18.937 8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.298 -17.984 10.089 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.637 -18.045 9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.982 -18.912 10.590 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.920 -17.007 11.060 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.190 -15.603 11.846 1.00 0.00 H new ATOM 1355 N PRO A 88 2.039 -16.255 8.692 1.00 0.00 N ATOM 1356 CA PRO A 88 3.202 -15.427 9.132 1.00 0.00 C ATOM 1357 C PRO A 88 3.142 -14.019 8.532 1.00 0.00 C ATOM 1358 O PRO A 88 3.641 -13.068 9.099 1.00 0.00 O ATOM 1359 CB PRO A 88 4.427 -16.200 8.609 1.00 0.00 C ATOM 1360 CG PRO A 88 3.953 -17.610 8.438 1.00 0.00 C ATOM 1361 CD PRO A 88 2.474 -17.514 8.067 1.00 0.00 C ATOM 0 HA PRO A 88 3.225 -15.283 10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.781 -15.786 7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.258 -16.146 9.313 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.519 -18.120 7.658 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.089 -18.182 9.356 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.333 -17.494 6.986 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.910 -18.366 8.447 1.00 0.00 H new ATOM 1369 N GLU A 89 2.540 -13.887 7.383 1.00 0.00 N ATOM 1370 CA GLU A 89 2.446 -12.553 6.733 1.00 0.00 C ATOM 1371 C GLU A 89 1.704 -11.587 7.659 1.00 0.00 C ATOM 1372 O GLU A 89 2.034 -10.421 7.750 1.00 0.00 O ATOM 1373 CB GLU A 89 1.673 -12.694 5.423 1.00 0.00 C ATOM 1374 CG GLU A 89 1.765 -11.391 4.631 1.00 0.00 C ATOM 1375 CD GLU A 89 3.185 -11.223 4.090 1.00 0.00 C ATOM 1376 OE1 GLU A 89 3.961 -12.153 4.223 1.00 0.00 O ATOM 1377 OE2 GLU A 89 3.472 -10.166 3.554 1.00 0.00 O ATOM 0 H GLU A 89 2.107 -14.651 6.864 1.00 0.00 H new ATOM 0 HA GLU A 89 3.446 -12.167 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.079 -13.518 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.630 -12.934 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.050 -11.402 3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.505 -10.546 5.269 1.00 0.00 H new ATOM 1384 N TRP A 90 0.704 -12.061 8.350 1.00 0.00 N ATOM 1385 CA TRP A 90 -0.061 -11.174 9.272 1.00 0.00 C ATOM 1386 C TRP A 90 0.893 -10.566 10.305 1.00 0.00 C ATOM 1387 O TRP A 90 0.752 -9.424 10.698 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.142 -11.998 9.989 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.337 -12.158 9.102 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.552 -13.191 8.258 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.485 -11.273 8.968 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.759 -12.997 7.613 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.371 -11.827 8.016 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -3.838 -10.053 9.573 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.567 -11.195 7.677 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -5.040 -9.414 9.235 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -5.903 -9.983 8.289 1.00 0.00 C ATOM 0 H TRP A 90 0.382 -13.028 8.316 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.533 -10.373 8.702 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.745 -12.977 10.259 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.431 -11.505 10.917 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.889 -14.031 8.111 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.150 -13.639 6.924 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.179 -9.606 10.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -6.229 -11.638 6.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -5.302 -8.478 9.706 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.827 -9.486 8.033 1.00 0.00 H new ATOM 1408 N ASP A 91 1.853 -11.320 10.754 1.00 0.00 N ATOM 1409 CA ASP A 91 2.809 -10.793 11.767 1.00 0.00 C ATOM 1410 C ASP A 91 3.528 -9.568 11.199 1.00 0.00 C ATOM 1411 O ASP A 91 3.685 -8.562 11.863 1.00 0.00 O ATOM 1412 CB ASP A 91 3.834 -11.879 12.089 1.00 0.00 C ATOM 1413 CG ASP A 91 4.808 -11.370 13.151 1.00 0.00 C ATOM 1414 OD1 ASP A 91 4.722 -10.203 13.496 1.00 0.00 O ATOM 1415 OD2 ASP A 91 5.623 -12.157 13.601 1.00 0.00 O ATOM 0 H ASP A 91 2.019 -12.283 10.463 1.00 0.00 H new ATOM 0 HA ASP A 91 2.272 -10.509 12.672 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.328 -12.776 12.446 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.378 -12.158 11.187 1.00 0.00 H new ATOM 1420 N ARG A 92 3.974 -9.651 9.977 1.00 0.00 N ATOM 1421 CA ARG A 92 4.689 -8.501 9.358 1.00 0.00 C ATOM 1422 C ARG A 92 3.730 -7.315 9.217 1.00 0.00 C ATOM 1423 O ARG A 92 4.090 -6.178 9.451 1.00 0.00 O ATOM 1424 CB ARG A 92 5.189 -8.917 7.973 1.00 0.00 C ATOM 1425 CG ARG A 92 6.343 -9.914 8.121 1.00 0.00 C ATOM 1426 CD ARG A 92 6.800 -10.370 6.733 1.00 0.00 C ATOM 1427 NE ARG A 92 7.958 -11.304 6.869 1.00 0.00 N ATOM 1428 CZ ARG A 92 7.763 -12.588 7.026 1.00 0.00 C ATOM 1429 NH1 ARG A 92 6.552 -13.068 7.083 1.00 0.00 N ATOM 1430 NH2 ARG A 92 8.787 -13.392 7.129 1.00 0.00 N ATOM 0 H ARG A 92 3.873 -10.470 9.378 1.00 0.00 H new ATOM 0 HA ARG A 92 5.531 -8.209 9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.377 -9.367 7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.521 -8.040 7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.172 -9.451 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.023 -10.773 8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.980 -10.865 6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.084 -9.507 6.131 1.00 0.00 H new ATOM 0 HE ARG A 92 8.909 -10.937 6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.751 -12.441 7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.406 -14.070 7.206 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.735 -13.018 7.087 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.639 -14.394 7.252 1.00 0.00 H new ATOM 1444 N PHE A 93 2.510 -7.575 8.835 1.00 0.00 N ATOM 1445 CA PHE A 93 1.519 -6.475 8.675 1.00 0.00 C ATOM 1446 C PHE A 93 1.219 -5.840 10.041 1.00 0.00 C ATOM 1447 O PHE A 93 1.056 -4.642 10.159 1.00 0.00 O ATOM 1448 CB PHE A 93 0.220 -7.057 8.066 1.00 0.00 C ATOM 1449 CG PHE A 93 0.146 -6.746 6.586 1.00 0.00 C ATOM 1450 CD1 PHE A 93 0.986 -7.409 5.686 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.757 -5.783 6.123 1.00 0.00 C ATOM 1452 CE1 PHE A 93 0.921 -7.108 4.321 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -0.821 -5.480 4.761 1.00 0.00 C ATOM 1454 CZ PHE A 93 0.017 -6.142 3.859 1.00 0.00 C ATOM 0 H PHE A 93 2.155 -8.508 8.626 1.00 0.00 H new ATOM 0 HA PHE A 93 1.923 -5.708 8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.190 -8.136 8.219 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.648 -6.639 8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.684 -8.152 6.044 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.406 -5.273 6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.567 -7.620 3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.517 -4.735 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.032 -5.909 2.806 1.00 0.00 H new ATOM 1464 N MET A 94 1.120 -6.638 11.065 1.00 0.00 N ATOM 1465 CA MET A 94 0.802 -6.090 12.412 1.00 0.00 C ATOM 1466 C MET A 94 1.876 -5.088 12.841 1.00 0.00 C ATOM 1467 O MET A 94 1.579 -4.016 13.329 1.00 0.00 O ATOM 1468 CB MET A 94 0.753 -7.245 13.411 1.00 0.00 C ATOM 1469 CG MET A 94 0.376 -6.712 14.794 1.00 0.00 C ATOM 1470 SD MET A 94 0.182 -8.100 15.940 1.00 0.00 S ATOM 1471 CE MET A 94 1.925 -8.275 16.396 1.00 0.00 C ATOM 0 H MET A 94 1.246 -7.650 11.028 1.00 0.00 H new ATOM 0 HA MET A 94 -0.160 -5.579 12.380 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.026 -7.989 13.086 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.721 -7.743 13.454 1.00 0.00 H new ATOM 0 HG2 MET A 94 1.147 -6.032 15.156 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.551 -6.142 14.736 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.030 -9.068 17.136 1.00 0.00 H new ATOM 0 HE2 MET A 94 2.509 -8.526 15.511 1.00 0.00 H new ATOM 0 HE3 MET A 94 2.287 -7.337 16.816 1.00 0.00 H new ATOM 1481 N ARG A 95 3.121 -5.427 12.662 1.00 0.00 N ATOM 1482 CA ARG A 95 4.216 -4.499 13.058 1.00 0.00 C ATOM 1483 C ARG A 95 4.149 -3.237 12.196 1.00 0.00 C ATOM 1484 O ARG A 95 4.389 -2.141 12.661 1.00 0.00 O ATOM 1485 CB ARG A 95 5.566 -5.196 12.864 1.00 0.00 C ATOM 1486 CG ARG A 95 6.692 -4.286 13.360 1.00 0.00 C ATOM 1487 CD ARG A 95 8.037 -5.003 13.209 1.00 0.00 C ATOM 1488 NE ARG A 95 9.105 -4.189 13.854 1.00 0.00 N ATOM 1489 CZ ARG A 95 10.365 -4.431 13.607 1.00 0.00 C ATOM 1490 NH1 ARG A 95 10.702 -5.391 12.789 1.00 0.00 N ATOM 1491 NH2 ARG A 95 11.290 -3.712 14.182 1.00 0.00 N ATOM 0 H ARG A 95 3.429 -6.311 12.257 1.00 0.00 H new ATOM 0 HA ARG A 95 4.104 -4.221 14.106 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.581 -6.140 13.410 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.715 -5.434 11.811 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.699 -3.356 12.792 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.525 -4.020 14.404 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.989 -5.990 13.668 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.266 -5.153 12.154 1.00 0.00 H new ATOM 0 HE ARG A 95 8.851 -3.436 14.494 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.981 -5.955 12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.687 -5.577 12.599 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.029 -2.963 14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.274 -3.899 13.991 1.00 0.00 H new ATOM 1505 N PHE A 96 3.834 -3.386 10.939 1.00 0.00 N ATOM 1506 CA PHE A 96 3.752 -2.203 10.035 1.00 0.00 C ATOM 1507 C PHE A 96 2.701 -1.220 10.558 1.00 0.00 C ATOM 1508 O PHE A 96 2.928 -0.030 10.621 1.00 0.00 O ATOM 1509 CB PHE A 96 3.348 -2.679 8.634 1.00 0.00 C ATOM 1510 CG PHE A 96 3.076 -1.487 7.741 1.00 0.00 C ATOM 1511 CD1 PHE A 96 1.849 -0.814 7.825 1.00 0.00 C ATOM 1512 CD2 PHE A 96 4.047 -1.053 6.834 1.00 0.00 C ATOM 1513 CE1 PHE A 96 1.599 0.290 7.001 1.00 0.00 C ATOM 1514 CE2 PHE A 96 3.796 0.049 6.010 1.00 0.00 C ATOM 1515 CZ PHE A 96 2.572 0.721 6.094 1.00 0.00 C ATOM 0 H PHE A 96 3.629 -4.282 10.496 1.00 0.00 H new ATOM 0 HA PHE A 96 4.720 -1.703 9.998 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.142 -3.291 8.206 1.00 0.00 H new ATOM 0 HB3 PHE A 96 2.460 -3.307 8.696 1.00 0.00 H new ATOM 0 HD1 PHE A 96 1.097 -1.147 8.525 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.993 -1.570 6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 96 0.654 0.809 7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.547 0.381 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.379 1.573 5.458 1.00 0.00 H new ATOM 1525 N MET A 97 1.546 -1.707 10.913 1.00 0.00 N ATOM 1526 CA MET A 97 0.478 -0.802 11.414 1.00 0.00 C ATOM 1527 C MET A 97 0.919 -0.181 12.740 1.00 0.00 C ATOM 1528 O MET A 97 0.677 0.978 13.005 1.00 0.00 O ATOM 1529 CB MET A 97 -0.809 -1.602 11.622 1.00 0.00 C ATOM 1530 CG MET A 97 -1.931 -0.660 12.066 1.00 0.00 C ATOM 1531 SD MET A 97 -3.472 -1.594 12.235 1.00 0.00 S ATOM 1532 CE MET A 97 -4.122 -1.276 10.575 1.00 0.00 C ATOM 0 H MET A 97 1.296 -2.695 10.877 1.00 0.00 H new ATOM 0 HA MET A 97 0.298 -0.010 10.687 1.00 0.00 H new ATOM 0 HB2 MET A 97 -1.089 -2.107 10.698 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.651 -2.376 12.373 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.672 -0.191 13.015 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.057 0.141 11.338 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.087 -1.770 10.461 1.00 0.00 H new ATOM 0 HE2 MET A 97 -4.245 -0.202 10.432 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.426 -1.663 9.831 1.00 0.00 H new ATOM 1542 N GLU A 98 1.558 -0.950 13.578 1.00 0.00 N ATOM 1543 CA GLU A 98 2.015 -0.409 14.887 1.00 0.00 C ATOM 1544 C GLU A 98 3.158 0.582 14.659 1.00 0.00 C ATOM 1545 O GLU A 98 3.127 1.701 15.130 1.00 0.00 O ATOM 1546 CB GLU A 98 2.514 -1.562 15.758 1.00 0.00 C ATOM 1547 CG GLU A 98 1.337 -2.455 16.154 1.00 0.00 C ATOM 1548 CD GLU A 98 1.853 -3.658 16.947 1.00 0.00 C ATOM 1549 OE1 GLU A 98 3.052 -3.732 17.163 1.00 0.00 O ATOM 1550 OE2 GLU A 98 1.039 -4.485 17.325 1.00 0.00 O ATOM 0 H GLU A 98 1.783 -1.931 13.412 1.00 0.00 H new ATOM 0 HA GLU A 98 1.187 0.098 15.382 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.259 -2.145 15.216 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.003 -1.171 16.650 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.624 -1.890 16.754 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.808 -2.793 15.263 1.00 0.00 H new ATOM 1557 N ARG A 99 4.167 0.171 13.946 1.00 0.00 N ATOM 1558 CA ARG A 99 5.321 1.076 13.686 1.00 0.00 C ATOM 1559 C ARG A 99 4.868 2.264 12.833 1.00 0.00 C ATOM 1560 O ARG A 99 5.067 3.411 13.185 1.00 0.00 O ATOM 1561 CB ARG A 99 6.397 0.292 12.930 1.00 0.00 C ATOM 1562 CG ARG A 99 7.636 1.169 12.732 1.00 0.00 C ATOM 1563 CD ARG A 99 8.713 0.373 11.991 1.00 0.00 C ATOM 1564 NE ARG A 99 9.960 1.189 11.892 1.00 0.00 N ATOM 1565 CZ ARG A 99 10.863 1.144 12.840 1.00 0.00 C ATOM 1566 NH1 ARG A 99 10.672 0.405 13.898 1.00 0.00 N ATOM 1567 NH2 ARG A 99 11.957 1.848 12.726 1.00 0.00 N ATOM 0 H ARG A 99 4.243 -0.757 13.530 1.00 0.00 H new ATOM 0 HA ARG A 99 5.718 1.447 14.631 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.662 -0.608 13.486 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.012 -0.032 11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.375 2.063 12.165 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.016 1.503 13.697 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.917 -0.559 12.518 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.361 0.106 10.995 1.00 0.00 H new ATOM 0 HE ARG A 99 10.110 1.787 11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.816 -0.142 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.379 0.374 14.633 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.106 2.430 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.663 1.816 13.462 1.00 0.00 H new ATOM 1581 N TYR A 100 4.268 1.993 11.708 1.00 0.00 N ATOM 1582 CA TYR A 100 3.808 3.091 10.816 1.00 0.00 C ATOM 1583 C TYR A 100 2.726 3.909 11.526 1.00 0.00 C ATOM 1584 O TYR A 100 2.732 5.124 11.503 1.00 0.00 O ATOM 1585 CB TYR A 100 3.241 2.483 9.529 1.00 0.00 C ATOM 1586 CG TYR A 100 3.168 3.542 8.453 1.00 0.00 C ATOM 1587 CD1 TYR A 100 4.352 4.013 7.873 1.00 0.00 C ATOM 1588 CD2 TYR A 100 1.932 4.053 8.036 1.00 0.00 C ATOM 1589 CE1 TYR A 100 4.303 4.992 6.877 1.00 0.00 C ATOM 1590 CE2 TYR A 100 1.883 5.033 7.036 1.00 0.00 C ATOM 1591 CZ TYR A 100 3.070 5.501 6.458 1.00 0.00 C ATOM 1592 OH TYR A 100 3.025 6.466 5.475 1.00 0.00 O ATOM 0 H TYR A 100 4.076 1.051 11.367 1.00 0.00 H new ATOM 0 HA TYR A 100 4.645 3.746 10.572 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.871 1.657 9.198 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.249 2.072 9.716 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.304 3.619 8.196 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.018 3.692 8.485 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.217 5.355 6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.931 5.427 6.711 1.00 0.00 H new ATOM 0 HH TYR A 100 3.787 6.351 4.869 1.00 0.00 H new ATOM 1602 N GLY A 101 1.790 3.246 12.147 1.00 0.00 N ATOM 1603 CA GLY A 101 0.695 3.970 12.852 1.00 0.00 C ATOM 1604 C GLY A 101 1.267 4.763 14.026 1.00 0.00 C ATOM 1605 O GLY A 101 0.792 5.832 14.354 1.00 0.00 O ATOM 0 H GLY A 101 1.736 2.229 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.188 4.643 12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.050 3.260 13.210 1.00 0.00 H new ATOM 1609 N ALA A 102 2.278 4.248 14.664 1.00 0.00 N ATOM 1610 CA ALA A 102 2.881 4.969 15.817 1.00 0.00 C ATOM 1611 C ALA A 102 3.428 6.318 15.348 1.00 0.00 C ATOM 1612 O ALA A 102 3.298 7.322 16.021 1.00 0.00 O ATOM 1613 CB ALA A 102 4.024 4.128 16.384 1.00 0.00 C ATOM 0 H ALA A 102 2.715 3.355 14.436 1.00 0.00 H new ATOM 0 HA ALA A 102 2.125 5.134 16.584 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.473 4.648 17.230 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.637 3.164 16.714 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.778 3.972 15.613 1.00 0.00 H new ATOM 1619 N GLU A 103 4.042 6.349 14.198 1.00 0.00 N ATOM 1620 CA GLU A 103 4.598 7.628 13.678 1.00 0.00 C ATOM 1621 C GLU A 103 3.447 8.569 13.313 1.00 0.00 C ATOM 1622 O GLU A 103 3.516 9.763 13.528 1.00 0.00 O ATOM 1623 CB GLU A 103 5.436 7.339 12.433 1.00 0.00 C ATOM 1624 CG GLU A 103 6.656 6.491 12.811 1.00 0.00 C ATOM 1625 CD GLU A 103 7.580 7.294 13.729 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.923 8.406 13.364 1.00 0.00 O ATOM 1627 OE2 GLU A 103 7.930 6.782 14.780 1.00 0.00 O ATOM 0 H GLU A 103 4.183 5.539 13.594 1.00 0.00 H new ATOM 0 HA GLU A 103 5.222 8.097 14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.833 6.814 11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.760 8.274 11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.335 5.578 13.312 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.194 6.189 11.912 1.00 0.00 H new ATOM 1634 N ASN A 104 2.390 8.039 12.763 1.00 0.00 N ATOM 1635 CA ASN A 104 1.231 8.898 12.388 1.00 0.00 C ATOM 1636 C ASN A 104 -0.017 8.027 12.230 1.00 0.00 C ATOM 1637 O ASN A 104 -0.073 7.153 11.390 1.00 0.00 O ATOM 1638 CB ASN A 104 1.532 9.630 11.075 1.00 0.00 C ATOM 1639 CG ASN A 104 2.091 8.649 10.045 1.00 0.00 C ATOM 1640 OD1 ASN A 104 3.340 8.751 9.676 1.00 0.00 O flip ATOM 1641 ND2 ASN A 104 1.387 7.783 9.569 1.00 0.00 N flip ATOM 0 H ASN A 104 2.278 7.046 12.557 1.00 0.00 H new ATOM 0 HA ASN A 104 1.056 9.636 13.171 1.00 0.00 H new ATOM 0 HB2 ASN A 104 0.623 10.094 10.691 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.249 10.432 11.252 1.00 0.00 H new ATOM 0 HD21 ASN A 104 0.412 7.703 9.857 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.770 7.135 8.881 1.00 0.00 H new