USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.6 (180deg=0.864) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.16 (180deg=0.921) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.223 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 25 ASN : amide:sc= -0.726! X(o=-0.73!,f=-0.66) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 1.5 (180deg=1.43) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -1.05 X(o=-1,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 1.06 (180deg=1.06) USER MOD Single : A 40 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= 1.34 K(o=1.3,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0.598) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -71:sc= 1.28 USER MOD Single : A 57 SER OG : rot 64:sc= 0.916 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.195 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -118:sc= 0.503 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.030 52.461 19.388 1.00 0.00 N ATOM 2 CA MET A 1 33.220 52.318 20.840 1.00 0.00 C ATOM 3 C MET A 1 34.687 52.583 21.187 1.00 0.00 C ATOM 4 O MET A 1 35.563 52.111 20.467 1.00 0.00 O ATOM 5 CB MET A 1 32.763 50.944 21.322 1.00 0.00 C ATOM 6 CG MET A 1 32.676 50.860 22.842 1.00 0.00 C ATOM 7 SD MET A 1 32.246 49.221 23.480 1.00 0.00 S ATOM 8 CE MET A 1 33.875 48.433 23.477 1.00 0.00 C ATOM 0 H1 MET A 1 32.047 52.737 19.192 1.00 0.00 H new ATOM 0 H2 MET A 1 33.674 53.192 19.024 1.00 0.00 H new ATOM 0 H3 MET A 1 33.235 51.555 18.920 1.00 0.00 H new ATOM 0 HA MET A 1 32.603 53.052 21.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.787 50.717 20.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.456 50.185 20.958 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.634 51.161 23.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.934 51.578 23.191 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.785 47.411 23.845 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.271 48.420 22.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.551 48.993 24.123 1.00 0.00 H new ATOM 20 N GLN A 2 34.950 53.290 22.283 1.00 0.00 N ATOM 21 CA GLN A 2 36.292 53.554 22.763 1.00 0.00 C ATOM 22 C GLN A 2 36.783 52.467 23.719 1.00 0.00 C ATOM 23 O GLN A 2 36.026 52.009 24.572 1.00 0.00 O ATOM 24 CB GLN A 2 36.363 54.934 23.413 1.00 0.00 C ATOM 25 CG GLN A 2 36.396 56.029 22.351 1.00 0.00 C ATOM 26 CD GLN A 2 36.312 57.454 22.901 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.095 57.725 24.079 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.414 58.453 22.029 1.00 0.00 N ATOM 0 H GLN A 2 34.221 53.699 22.867 1.00 0.00 H new ATOM 0 HA GLN A 2 36.960 53.541 21.902 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.502 55.079 24.065 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.252 55.001 24.040 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.316 55.930 21.775 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.568 55.871 21.660 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.594 58.255 21.045 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.312 59.418 22.344 1.00 0.00 H new ATOM 37 N ILE A 3 38.065 52.123 23.620 1.00 0.00 N ATOM 38 CA ILE A 3 38.833 51.448 24.647 1.00 0.00 C ATOM 39 C ILE A 3 40.201 52.116 24.798 1.00 0.00 C ATOM 40 O ILE A 3 40.673 52.784 23.880 1.00 0.00 O ATOM 41 CB ILE A 3 38.967 49.946 24.412 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.704 49.606 23.120 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.608 49.258 24.498 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.979 48.117 22.925 1.00 0.00 C ATOM 0 H ILE A 3 38.615 52.318 22.783 1.00 0.00 H new ATOM 0 HA ILE A 3 38.280 51.548 25.581 1.00 0.00 H new ATOM 0 HB ILE A 3 39.592 49.555 25.215 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.118 49.969 22.275 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.652 50.143 23.104 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.730 48.188 24.327 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.180 49.421 25.487 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.942 49.673 23.741 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.506 47.965 21.983 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.593 47.750 23.747 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.035 47.572 22.905 1.00 0.00 H new ATOM 56 N PHE A 4 40.859 51.910 25.935 1.00 0.00 N ATOM 57 CA PHE A 4 42.152 52.485 26.248 1.00 0.00 C ATOM 58 C PHE A 4 43.240 51.417 26.373 1.00 0.00 C ATOM 59 O PHE A 4 42.966 50.286 26.770 1.00 0.00 O ATOM 60 CB PHE A 4 42.055 53.324 27.519 1.00 0.00 C ATOM 61 CG PHE A 4 41.040 54.441 27.469 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.261 55.548 26.639 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.892 54.394 28.268 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.336 56.598 26.601 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.971 55.448 28.240 1.00 0.00 C ATOM 66 CZ PHE A 4 39.189 56.549 27.402 1.00 0.00 C ATOM 0 H PHE A 4 40.492 51.320 26.682 1.00 0.00 H new ATOM 0 HA PHE A 4 42.442 53.131 25.420 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.809 52.666 28.353 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.035 53.753 27.729 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.149 55.591 26.026 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.716 53.542 28.908 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.507 57.446 25.954 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.091 55.412 28.865 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.474 57.358 27.374 1.00 0.00 H new ATOM 76 N VAL A 5 44.484 51.774 26.068 1.00 0.00 N ATOM 77 CA VAL A 5 45.642 50.908 26.160 1.00 0.00 C ATOM 78 C VAL A 5 46.790 51.622 26.876 1.00 0.00 C ATOM 79 O VAL A 5 47.090 52.770 26.557 1.00 0.00 O ATOM 80 CB VAL A 5 46.080 50.402 24.789 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.223 49.396 24.900 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.954 49.714 24.023 1.00 0.00 C ATOM 0 H VAL A 5 44.716 52.711 25.738 1.00 0.00 H new ATOM 0 HA VAL A 5 45.358 50.035 26.748 1.00 0.00 H new ATOM 0 HB VAL A 5 46.397 51.295 24.250 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.508 49.058 23.904 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.079 49.869 25.381 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.899 48.542 25.494 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.326 49.376 23.056 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.596 48.857 24.594 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.135 50.417 23.871 1.00 0.00 H new ATOM 92 N LYS A 6 47.437 50.939 27.817 1.00 0.00 N ATOM 93 CA LYS A 6 48.626 51.377 28.520 1.00 0.00 C ATOM 94 C LYS A 6 49.858 50.571 28.104 1.00 0.00 C ATOM 95 O LYS A 6 49.787 49.345 28.056 1.00 0.00 O ATOM 96 CB LYS A 6 48.421 51.277 30.029 1.00 0.00 C ATOM 97 CG LYS A 6 47.286 52.127 30.595 1.00 0.00 C ATOM 98 CD LYS A 6 47.382 53.623 30.316 1.00 0.00 C ATOM 99 CE LYS A 6 48.657 54.287 30.827 1.00 0.00 C ATOM 100 NZ LYS A 6 48.746 54.284 32.296 1.00 0.00 N ATOM 0 H LYS A 6 47.124 50.017 28.121 1.00 0.00 H new ATOM 0 HA LYS A 6 48.800 52.419 28.250 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.233 50.234 30.284 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.349 51.564 30.524 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.343 51.760 30.189 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.248 51.978 31.674 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.311 53.783 29.240 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.524 54.119 30.769 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.523 53.770 30.413 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.697 55.315 30.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.630 54.746 32.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.936 54.800 32.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.736 53.303 32.642 1.00 0.00 H new ATOM 168 N LYS A 11 52.655 54.997 28.460 1.00 0.00 N ATOM 169 CA LYS A 11 51.959 55.802 27.478 1.00 0.00 C ATOM 170 C LYS A 11 50.486 55.399 27.386 1.00 0.00 C ATOM 171 O LYS A 11 50.177 54.217 27.521 1.00 0.00 O ATOM 172 CB LYS A 11 52.697 55.652 26.151 1.00 0.00 C ATOM 173 CG LYS A 11 52.321 56.640 25.050 1.00 0.00 C ATOM 174 CD LYS A 11 53.228 56.416 23.843 1.00 0.00 C ATOM 175 CE LYS A 11 53.155 57.542 22.816 1.00 0.00 C ATOM 176 NZ LYS A 11 52.020 57.432 21.888 1.00 0.00 N ATOM 0 HA LYS A 11 51.957 56.853 27.766 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.766 55.744 26.342 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.526 54.642 25.777 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.277 56.506 24.765 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.424 57.663 25.412 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.258 56.312 24.185 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.956 55.477 23.362 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.091 58.495 23.341 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.081 57.556 22.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.863 58.348 21.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.227 56.709 21.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.165 57.161 22.415 1.00 0.00 H new ATOM 190 N THR A 12 49.588 56.353 27.156 1.00 0.00 N ATOM 191 CA THR A 12 48.154 56.159 27.092 1.00 0.00 C ATOM 192 C THR A 12 47.644 56.342 25.660 1.00 0.00 C ATOM 193 O THR A 12 47.828 57.407 25.073 1.00 0.00 O ATOM 194 CB THR A 12 47.405 57.120 28.011 1.00 0.00 C ATOM 195 OG1 THR A 12 47.895 57.056 29.331 1.00 0.00 O ATOM 196 CG2 THR A 12 45.919 56.783 28.085 1.00 0.00 C ATOM 0 H THR A 12 49.859 57.324 27.003 1.00 0.00 H new ATOM 0 HA THR A 12 47.962 55.139 27.426 1.00 0.00 H new ATOM 0 HB THR A 12 47.555 58.113 27.587 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.397 57.684 29.896 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.419 57.488 28.748 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.481 56.848 27.089 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.794 55.771 28.471 1.00 0.00 H new ATOM 204 N ILE A 13 46.995 55.320 25.111 1.00 0.00 N ATOM 205 CA ILE A 13 46.511 55.253 23.747 1.00 0.00 C ATOM 206 C ILE A 13 45.006 54.975 23.771 1.00 0.00 C ATOM 207 O ILE A 13 44.540 54.210 24.612 1.00 0.00 O ATOM 208 CB ILE A 13 47.303 54.194 22.986 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.782 54.557 22.887 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.744 53.943 21.589 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.690 53.389 22.514 1.00 0.00 C ATOM 0 H ILE A 13 46.784 54.473 25.639 1.00 0.00 H new ATOM 0 HA ILE A 13 46.659 56.198 23.225 1.00 0.00 H new ATOM 0 HB ILE A 13 47.203 53.275 23.563 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.902 55.347 22.145 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.109 54.966 23.843 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.343 53.182 21.089 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.712 53.601 21.666 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.777 54.867 21.012 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.723 53.733 22.465 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.603 52.606 23.267 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.393 52.993 21.543 1.00 0.00 H new ATOM 223 N THR A 14 44.250 55.544 22.837 1.00 0.00 N ATOM 224 CA THR A 14 42.836 55.284 22.651 1.00 0.00 C ATOM 225 C THR A 14 42.593 54.587 21.311 1.00 0.00 C ATOM 226 O THR A 14 43.177 54.984 20.306 1.00 0.00 O ATOM 227 CB THR A 14 41.994 56.555 22.725 1.00 0.00 C ATOM 228 OG1 THR A 14 42.374 57.346 23.828 1.00 0.00 O ATOM 229 CG2 THR A 14 40.508 56.253 22.892 1.00 0.00 C ATOM 0 H THR A 14 44.622 56.220 22.170 1.00 0.00 H new ATOM 0 HA THR A 14 42.526 54.633 23.469 1.00 0.00 H new ATOM 0 HB THR A 14 42.164 57.079 21.784 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.916 57.026 24.633 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.950 57.188 22.940 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.159 55.665 22.043 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.352 55.690 23.812 1.00 0.00 H new ATOM 237 N LEU A 15 41.730 53.575 21.296 1.00 0.00 N ATOM 238 CA LEU A 15 41.339 52.850 20.104 1.00 0.00 C ATOM 239 C LEU A 15 39.835 52.955 19.845 1.00 0.00 C ATOM 240 O LEU A 15 39.036 52.921 20.778 1.00 0.00 O ATOM 241 CB LEU A 15 41.765 51.388 20.197 1.00 0.00 C ATOM 242 CG LEU A 15 43.230 51.118 20.527 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.449 49.609 20.597 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.211 51.665 19.493 1.00 0.00 C ATOM 0 H LEU A 15 41.273 53.231 22.141 1.00 0.00 H new ATOM 0 HA LEU A 15 41.852 53.310 19.260 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.151 50.903 20.956 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.537 50.906 19.246 1.00 0.00 H new ATOM 0 HG LEU A 15 43.424 51.624 21.473 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.493 49.403 20.832 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.812 49.184 21.373 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.199 49.160 19.636 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.231 51.432 19.800 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.011 51.208 18.524 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.093 52.746 19.416 1.00 0.00 H new ATOM 256 N GLU A 16 39.463 53.007 18.569 1.00 0.00 N ATOM 257 CA GLU A 16 38.101 53.010 18.076 1.00 0.00 C ATOM 258 C GLU A 16 37.759 51.623 17.529 1.00 0.00 C ATOM 259 O GLU A 16 38.346 51.160 16.554 1.00 0.00 O ATOM 260 CB GLU A 16 37.973 54.138 17.054 1.00 0.00 C ATOM 261 CG GLU A 16 36.616 54.304 16.377 1.00 0.00 C ATOM 262 CD GLU A 16 35.472 54.627 17.341 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.431 55.733 17.923 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.570 53.774 17.480 1.00 0.00 O ATOM 0 H GLU A 16 40.147 53.050 17.814 1.00 0.00 H new ATOM 0 HA GLU A 16 37.374 53.206 18.864 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.221 55.076 17.551 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.722 53.980 16.278 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.687 55.099 15.635 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.376 53.387 15.839 1.00 0.00 H new ATOM 271 N VAL A 17 36.867 50.912 18.214 1.00 0.00 N ATOM 272 CA VAL A 17 36.601 49.496 18.060 1.00 0.00 C ATOM 273 C VAL A 17 35.103 49.187 18.034 1.00 0.00 C ATOM 274 O VAL A 17 34.272 50.068 18.242 1.00 0.00 O ATOM 275 CB VAL A 17 37.291 48.697 19.162 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.809 48.854 19.142 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.796 49.041 20.563 1.00 0.00 C ATOM 0 H VAL A 17 36.280 51.339 18.931 1.00 0.00 H new ATOM 0 HA VAL A 17 37.010 49.197 17.095 1.00 0.00 H new ATOM 0 HB VAL A 17 37.027 47.663 18.940 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.246 48.264 19.947 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.198 48.507 18.185 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.068 49.904 19.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.329 48.436 21.296 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.977 50.097 20.764 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.728 48.836 20.632 1.00 0.00 H new ATOM 287 N GLU A 18 34.748 47.922 17.823 1.00 0.00 N ATOM 288 CA GLU A 18 33.446 47.362 18.119 1.00 0.00 C ATOM 289 C GLU A 18 33.604 46.124 19.005 1.00 0.00 C ATOM 290 O GLU A 18 34.609 45.431 18.865 1.00 0.00 O ATOM 291 CB GLU A 18 32.696 46.984 16.845 1.00 0.00 C ATOM 292 CG GLU A 18 32.348 48.174 15.954 1.00 0.00 C ATOM 293 CD GLU A 18 31.395 47.745 14.838 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.855 47.207 13.806 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.165 47.904 15.000 1.00 0.00 O ATOM 0 H GLU A 18 35.391 47.237 17.425 1.00 0.00 H new ATOM 0 HA GLU A 18 32.866 48.122 18.642 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.302 46.280 16.274 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.777 46.465 17.117 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.888 48.961 16.551 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.258 48.592 15.523 1.00 0.00 H new ATOM 302 N PRO A 19 32.660 45.774 19.875 1.00 0.00 N ATOM 303 CA PRO A 19 32.767 44.619 20.743 1.00 0.00 C ATOM 304 C PRO A 19 33.001 43.266 20.069 1.00 0.00 C ATOM 305 O PRO A 19 33.558 42.369 20.699 1.00 0.00 O ATOM 306 CB PRO A 19 31.479 44.600 21.563 1.00 0.00 C ATOM 307 CG PRO A 19 31.094 46.074 21.636 1.00 0.00 C ATOM 308 CD PRO A 19 31.537 46.598 20.274 1.00 0.00 C ATOM 0 HA PRO A 19 33.672 44.737 21.338 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.703 44.004 21.082 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.638 44.175 22.554 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.024 46.207 21.793 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.602 46.586 22.453 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.727 46.531 19.548 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.825 47.647 20.335 1.00 0.00 H new ATOM 316 N SER A 20 32.596 43.083 18.815 1.00 0.00 N ATOM 317 CA SER A 20 32.845 41.885 18.040 1.00 0.00 C ATOM 318 C SER A 20 34.148 41.906 17.239 1.00 0.00 C ATOM 319 O SER A 20 34.417 40.963 16.497 1.00 0.00 O ATOM 320 CB SER A 20 31.669 41.567 17.120 1.00 0.00 C ATOM 321 OG SER A 20 30.462 41.487 17.845 1.00 0.00 O ATOM 0 H SER A 20 32.070 43.790 18.301 1.00 0.00 H new ATOM 0 HA SER A 20 32.958 41.093 18.780 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.585 42.337 16.353 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.851 40.623 16.606 1.00 0.00 H new ATOM 0 HG SER A 20 29.725 41.284 17.232 1.00 0.00 H new ATOM 327 N ASP A 21 34.964 42.952 17.340 1.00 0.00 N ATOM 328 CA ASP A 21 36.217 43.078 16.623 1.00 0.00 C ATOM 329 C ASP A 21 37.290 42.147 17.189 1.00 0.00 C ATOM 330 O ASP A 21 37.336 41.914 18.395 1.00 0.00 O ATOM 331 CB ASP A 21 36.629 44.548 16.636 1.00 0.00 C ATOM 332 CG ASP A 21 37.534 44.980 15.480 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.831 44.173 14.574 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.893 46.177 15.417 1.00 0.00 O ATOM 0 H ASP A 21 34.761 43.752 17.939 1.00 0.00 H new ATOM 0 HA ASP A 21 36.090 42.761 15.588 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.728 45.162 16.620 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.141 44.757 17.575 1.00 0.00 H new ATOM 339 N THR A 22 38.149 41.585 16.343 1.00 0.00 N ATOM 340 CA THR A 22 39.158 40.625 16.743 1.00 0.00 C ATOM 341 C THR A 22 40.342 41.272 17.464 1.00 0.00 C ATOM 342 O THR A 22 40.736 42.395 17.156 1.00 0.00 O ATOM 343 CB THR A 22 39.685 39.752 15.607 1.00 0.00 C ATOM 344 OG1 THR A 22 40.334 40.511 14.612 1.00 0.00 O ATOM 345 CG2 THR A 22 38.603 38.908 14.941 1.00 0.00 C ATOM 0 H THR A 22 38.159 41.792 15.344 1.00 0.00 H new ATOM 0 HA THR A 22 38.624 39.976 17.437 1.00 0.00 H new ATOM 0 HB THR A 22 40.399 39.082 16.086 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.658 39.915 13.905 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.046 38.312 14.143 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.151 38.246 15.680 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.837 39.562 14.523 1.00 0.00 H new ATOM 353 N ILE A 23 40.978 40.524 18.363 1.00 0.00 N ATOM 354 CA ILE A 23 42.218 40.918 19.000 1.00 0.00 C ATOM 355 C ILE A 23 43.317 41.144 17.960 1.00 0.00 C ATOM 356 O ILE A 23 44.115 42.070 18.094 1.00 0.00 O ATOM 357 CB ILE A 23 42.610 39.888 20.056 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.571 39.738 21.163 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.982 40.160 20.664 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.163 41.023 21.876 1.00 0.00 C ATOM 0 H ILE A 23 40.635 39.614 18.670 1.00 0.00 H new ATOM 0 HA ILE A 23 42.076 41.871 19.510 1.00 0.00 H new ATOM 0 HB ILE A 23 42.658 38.943 19.515 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.677 39.284 20.736 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.959 39.041 21.906 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.208 39.396 21.408 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.739 40.138 19.880 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.981 41.141 21.139 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.421 40.795 22.641 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.039 41.474 22.343 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.737 41.720 21.154 1.00 0.00 H new ATOM 372 N GLU A 24 43.323 40.375 16.874 1.00 0.00 N ATOM 373 CA GLU A 24 44.191 40.590 15.735 1.00 0.00 C ATOM 374 C GLU A 24 44.024 41.980 15.119 1.00 0.00 C ATOM 375 O GLU A 24 45.017 42.672 14.902 1.00 0.00 O ATOM 376 CB GLU A 24 43.914 39.474 14.730 1.00 0.00 C ATOM 377 CG GLU A 24 44.744 39.543 13.450 1.00 0.00 C ATOM 378 CD GLU A 24 44.666 38.209 12.705 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.427 37.278 13.045 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.814 38.068 11.802 1.00 0.00 O ATOM 0 H GLU A 24 42.708 39.569 16.766 1.00 0.00 H new ATOM 0 HA GLU A 24 45.232 40.555 16.056 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.098 38.515 15.214 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.858 39.499 14.463 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.378 40.347 12.812 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.781 39.774 13.691 1.00 0.00 H new ATOM 387 N ASN A 25 42.797 42.444 14.901 1.00 0.00 N ATOM 388 CA ASN A 25 42.560 43.784 14.405 1.00 0.00 C ATOM 389 C ASN A 25 42.880 44.862 15.443 1.00 0.00 C ATOM 390 O ASN A 25 43.437 45.900 15.094 1.00 0.00 O ATOM 391 CB ASN A 25 41.128 43.910 13.895 1.00 0.00 C ATOM 392 CG ASN A 25 40.910 45.188 13.083 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.764 45.622 12.315 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.744 45.821 13.194 1.00 0.00 N ATOM 0 H ASN A 25 41.949 41.902 15.064 1.00 0.00 H new ATOM 0 HA ASN A 25 43.245 43.951 13.574 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.887 43.045 13.277 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.441 43.899 14.741 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.565 46.661 12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.030 45.466 13.830 1.00 0.00 H new ATOM 401 N VAL A 26 42.610 44.626 16.724 1.00 0.00 N ATOM 402 CA VAL A 26 42.966 45.538 17.793 1.00 0.00 C ATOM 403 C VAL A 26 44.479 45.754 17.866 1.00 0.00 C ATOM 404 O VAL A 26 44.930 46.892 17.982 1.00 0.00 O ATOM 405 CB VAL A 26 42.374 45.067 19.118 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.841 45.879 20.322 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.853 45.169 19.081 1.00 0.00 C ATOM 0 H VAL A 26 42.132 43.785 17.047 1.00 0.00 H new ATOM 0 HA VAL A 26 42.531 46.513 17.574 1.00 0.00 H new ATOM 0 HB VAL A 26 42.717 44.039 19.235 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.379 45.486 21.227 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.925 45.810 20.409 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.553 46.922 20.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.442 44.830 20.032 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.562 46.205 18.909 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.466 44.545 18.276 1.00 0.00 H new ATOM 417 N LYS A 27 45.281 44.708 17.688 1.00 0.00 N ATOM 418 CA LYS A 27 46.724 44.799 17.599 1.00 0.00 C ATOM 419 C LYS A 27 47.189 45.525 16.335 1.00 0.00 C ATOM 420 O LYS A 27 48.169 46.265 16.388 1.00 0.00 O ATOM 421 CB LYS A 27 47.323 43.402 17.732 1.00 0.00 C ATOM 422 CG LYS A 27 47.126 42.812 19.126 1.00 0.00 C ATOM 423 CD LYS A 27 47.428 41.318 19.199 1.00 0.00 C ATOM 424 CE LYS A 27 48.916 41.058 18.978 1.00 0.00 C ATOM 425 NZ LYS A 27 49.248 39.627 18.913 1.00 0.00 N ATOM 0 H LYS A 27 44.931 43.754 17.600 1.00 0.00 H new ATOM 0 HA LYS A 27 47.089 45.412 18.423 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.866 42.743 16.994 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.388 43.444 17.506 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.769 43.340 19.830 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.097 42.983 19.443 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.126 40.928 20.171 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.845 40.787 18.447 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.229 41.540 18.052 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.483 41.520 19.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.246 39.514 18.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.088 39.191 19.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.645 39.162 18.205 1.00 0.00 H new ATOM 439 N ALA A 28 46.469 45.407 15.222 1.00 0.00 N ATOM 440 CA ALA A 28 46.719 46.190 14.029 1.00 0.00 C ATOM 441 C ALA A 28 46.432 47.681 14.221 1.00 0.00 C ATOM 442 O ALA A 28 47.212 48.514 13.764 1.00 0.00 O ATOM 443 CB ALA A 28 45.924 45.613 12.863 1.00 0.00 C ATOM 0 H ALA A 28 45.689 44.756 15.129 1.00 0.00 H new ATOM 0 HA ALA A 28 47.784 46.123 13.807 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.113 46.203 11.966 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.230 44.581 12.690 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.860 45.642 13.098 1.00 0.00 H new ATOM 449 N LYS A 29 45.393 48.046 14.967 1.00 0.00 N ATOM 450 CA LYS A 29 45.098 49.419 15.324 1.00 0.00 C ATOM 451 C LYS A 29 46.202 50.038 16.184 1.00 0.00 C ATOM 452 O LYS A 29 46.489 51.225 16.043 1.00 0.00 O ATOM 453 CB LYS A 29 43.749 49.512 16.035 1.00 0.00 C ATOM 454 CG LYS A 29 42.535 49.159 15.183 1.00 0.00 C ATOM 455 CD LYS A 29 41.296 49.039 16.066 1.00 0.00 C ATOM 456 CE LYS A 29 40.082 48.498 15.314 1.00 0.00 C ATOM 457 NZ LYS A 29 39.412 49.544 14.527 1.00 0.00 N ATOM 0 H LYS A 29 44.722 47.377 15.345 1.00 0.00 H new ATOM 0 HA LYS A 29 45.048 49.991 14.397 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.768 48.851 16.902 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.625 50.528 16.411 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.378 49.925 14.424 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.710 48.220 14.657 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.518 48.383 16.908 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.054 50.018 16.480 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.395 47.691 14.652 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.375 48.071 16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.739 49.104 13.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.901 50.186 15.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.121 50.082 13.990 1.00 0.00 H new ATOM 471 N ILE A 30 46.850 49.249 17.036 1.00 0.00 N ATOM 472 CA ILE A 30 48.024 49.643 17.789 1.00 0.00 C ATOM 473 C ILE A 30 49.243 49.790 16.876 1.00 0.00 C ATOM 474 O ILE A 30 49.984 50.759 17.020 1.00 0.00 O ATOM 475 CB ILE A 30 48.279 48.676 18.942 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.137 48.730 19.953 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.609 48.946 19.640 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.159 47.602 20.980 1.00 0.00 C ATOM 0 H ILE A 30 46.559 48.289 17.223 1.00 0.00 H new ATOM 0 HA ILE A 30 47.838 50.624 18.226 1.00 0.00 H new ATOM 0 HB ILE A 30 48.331 47.676 18.511 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.175 49.685 20.477 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.189 48.699 19.416 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.745 48.232 20.453 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.424 48.840 18.924 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.610 49.959 20.043 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.315 47.713 21.661 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.088 46.642 20.468 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.090 47.643 21.546 1.00 0.00 H new ATOM 490 N GLN A 31 49.434 48.898 15.909 1.00 0.00 N ATOM 491 CA GLN A 31 50.510 48.985 14.941 1.00 0.00 C ATOM 492 C GLN A 31 50.443 50.282 14.132 1.00 0.00 C ATOM 493 O GLN A 31 51.478 50.910 13.919 1.00 0.00 O ATOM 494 CB GLN A 31 50.486 47.771 14.017 1.00 0.00 C ATOM 495 CG GLN A 31 51.715 47.699 13.116 1.00 0.00 C ATOM 496 CD GLN A 31 51.718 46.489 12.179 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.686 45.907 11.854 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.889 46.045 11.729 1.00 0.00 N ATOM 0 H GLN A 31 48.834 48.084 15.778 1.00 0.00 H new ATOM 0 HA GLN A 31 51.452 48.994 15.489 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.425 46.863 14.617 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.588 47.806 13.400 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.772 48.610 12.520 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.610 47.669 13.738 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.751 46.522 11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.925 45.228 11.120 1.00 0.00 H new ATOM 507 N ASP A 32 49.260 50.726 13.717 1.00 0.00 N ATOM 508 CA ASP A 32 49.102 51.969 12.990 1.00 0.00 C ATOM 509 C ASP A 32 49.554 53.197 13.783 1.00 0.00 C ATOM 510 O ASP A 32 50.093 54.130 13.191 1.00 0.00 O ATOM 511 CB ASP A 32 47.653 52.121 12.537 1.00 0.00 C ATOM 512 CG ASP A 32 47.463 53.333 11.622 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.754 54.283 12.016 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.017 53.333 10.502 1.00 0.00 O ATOM 0 H ASP A 32 48.385 50.228 13.879 1.00 0.00 H new ATOM 0 HA ASP A 32 49.757 51.916 12.121 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.340 51.218 12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.009 52.221 13.410 1.00 0.00 H new ATOM 519 N LYS A 33 49.398 53.192 15.103 1.00 0.00 N ATOM 520 CA LYS A 33 49.801 54.274 15.978 1.00 0.00 C ATOM 521 C LYS A 33 51.271 54.211 16.402 1.00 0.00 C ATOM 522 O LYS A 33 51.993 55.190 16.226 1.00 0.00 O ATOM 523 CB LYS A 33 48.848 54.367 17.166 1.00 0.00 C ATOM 524 CG LYS A 33 47.492 54.916 16.732 1.00 0.00 C ATOM 525 CD LYS A 33 46.591 55.309 17.898 1.00 0.00 C ATOM 526 CE LYS A 33 45.410 56.123 17.376 1.00 0.00 C ATOM 527 NZ LYS A 33 44.524 56.586 18.453 1.00 0.00 N ATOM 0 H LYS A 33 48.975 52.410 15.602 1.00 0.00 H new ATOM 0 HA LYS A 33 49.728 55.198 15.404 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.720 53.381 17.613 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.278 55.011 17.933 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.649 55.787 16.095 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.983 54.166 16.127 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.233 54.417 18.412 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.154 55.892 18.627 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.783 56.984 16.822 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.837 55.517 16.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.730 57.119 18.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.158 55.766 18.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.057 57.201 19.100 1.00 0.00 H new ATOM 541 N GLU A 34 51.733 53.088 16.941 1.00 0.00 N ATOM 542 CA GLU A 34 53.038 52.965 17.560 1.00 0.00 C ATOM 543 C GLU A 34 54.099 52.266 16.707 1.00 0.00 C ATOM 544 O GLU A 34 55.282 52.334 17.035 1.00 0.00 O ATOM 545 CB GLU A 34 52.890 52.265 18.908 1.00 0.00 C ATOM 546 CG GLU A 34 52.041 53.011 19.933 1.00 0.00 C ATOM 547 CD GLU A 34 52.590 54.393 20.293 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.669 54.488 20.918 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.936 55.409 19.973 1.00 0.00 O ATOM 0 H GLU A 34 51.195 52.222 16.958 1.00 0.00 H new ATOM 0 HA GLU A 34 53.410 53.982 17.684 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.452 51.281 18.743 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.883 52.105 19.328 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.029 53.121 19.543 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.969 52.410 20.840 1.00 0.00 H new ATOM 556 N GLY A 35 53.715 51.587 15.630 1.00 0.00 N ATOM 557 CA GLY A 35 54.633 50.922 14.727 1.00 0.00 C ATOM 558 C GLY A 35 55.200 49.584 15.205 1.00 0.00 C ATOM 559 O GLY A 35 56.022 48.996 14.506 1.00 0.00 O ATOM 0 H GLY A 35 52.737 51.485 15.360 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.122 50.758 13.778 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.466 51.596 14.528 1.00 0.00 H new ATOM 563 N ILE A 36 54.755 49.065 16.347 1.00 0.00 N ATOM 564 CA ILE A 36 55.187 47.793 16.890 1.00 0.00 C ATOM 565 C ILE A 36 54.453 46.665 16.161 1.00 0.00 C ATOM 566 O ILE A 36 53.224 46.681 16.150 1.00 0.00 O ATOM 567 CB ILE A 36 54.963 47.743 18.398 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.777 48.822 19.105 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.308 46.373 18.974 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.442 49.004 20.582 1.00 0.00 C ATOM 0 H ILE A 36 54.065 49.536 16.932 1.00 0.00 H new ATOM 0 HA ILE A 36 56.258 47.668 16.731 1.00 0.00 H new ATOM 0 HB ILE A 36 53.903 47.928 18.571 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.836 48.579 19.013 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.622 49.771 18.591 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.136 46.377 20.050 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.679 45.614 18.509 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.356 46.148 18.775 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.068 49.791 21.003 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.393 49.281 20.686 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.625 48.071 21.114 1.00 0.00 H new ATOM 582 N PRO A 37 55.134 45.674 15.593 1.00 0.00 N ATOM 583 CA PRO A 37 54.491 44.619 14.836 1.00 0.00 C ATOM 584 C PRO A 37 53.656 43.704 15.733 1.00 0.00 C ATOM 585 O PRO A 37 54.146 43.275 16.774 1.00 0.00 O ATOM 586 CB PRO A 37 55.612 43.881 14.109 1.00 0.00 C ATOM 587 CG PRO A 37 56.821 44.102 15.014 1.00 0.00 C ATOM 588 CD PRO A 37 56.572 45.499 15.576 1.00 0.00 C ATOM 0 HA PRO A 37 53.775 45.020 14.119 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.386 42.821 13.991 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.778 44.285 13.110 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.878 43.353 15.804 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.757 44.051 14.458 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.988 45.596 16.579 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.050 46.259 14.958 1.00 0.00 H new ATOM 596 N PRO A 38 52.416 43.370 15.384 1.00 0.00 N ATOM 597 CA PRO A 38 51.509 42.573 16.183 1.00 0.00 C ATOM 598 C PRO A 38 52.037 41.244 16.726 1.00 0.00 C ATOM 599 O PRO A 38 51.631 40.850 17.818 1.00 0.00 O ATOM 600 CB PRO A 38 50.288 42.340 15.297 1.00 0.00 C ATOM 601 CG PRO A 38 50.197 43.658 14.534 1.00 0.00 C ATOM 602 CD PRO A 38 51.671 43.976 14.299 1.00 0.00 C ATOM 0 HA PRO A 38 51.307 43.128 17.099 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.425 41.490 14.629 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.390 42.144 15.883 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.646 43.554 13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.697 44.434 15.114 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.001 43.582 13.338 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.833 45.054 14.275 1.00 0.00 H new ATOM 610 N ASP A 39 52.962 40.567 16.052 1.00 0.00 N ATOM 611 CA ASP A 39 53.537 39.346 16.579 1.00 0.00 C ATOM 612 C ASP A 39 54.415 39.575 17.812 1.00 0.00 C ATOM 613 O ASP A 39 54.520 38.691 18.659 1.00 0.00 O ATOM 614 CB ASP A 39 54.221 38.547 15.473 1.00 0.00 C ATOM 615 CG ASP A 39 55.535 39.148 14.970 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.522 39.830 13.923 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.591 38.854 15.573 1.00 0.00 O ATOM 0 H ASP A 39 53.325 40.848 15.141 1.00 0.00 H new ATOM 0 HA ASP A 39 52.717 38.731 16.950 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.415 37.539 15.839 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.534 38.455 14.632 1.00 0.00 H new ATOM 622 N GLN A 40 54.943 40.783 17.987 1.00 0.00 N ATOM 623 CA GLN A 40 55.635 41.234 19.177 1.00 0.00 C ATOM 624 C GLN A 40 54.714 41.866 20.223 1.00 0.00 C ATOM 625 O GLN A 40 55.183 42.225 21.301 1.00 0.00 O ATOM 626 CB GLN A 40 56.740 42.219 18.806 1.00 0.00 C ATOM 627 CG GLN A 40 57.821 41.652 17.889 1.00 0.00 C ATOM 628 CD GLN A 40 58.881 42.686 17.504 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.895 43.837 17.936 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.808 42.312 16.628 1.00 0.00 N ATOM 0 H GLN A 40 54.894 41.503 17.266 1.00 0.00 H new ATOM 0 HA GLN A 40 56.060 40.340 19.633 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.288 43.084 18.320 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.211 42.577 19.722 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.305 40.811 18.384 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.355 41.263 16.984 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.809 41.360 16.261 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.519 42.977 16.323 1.00 0.00 H new ATOM 639 N GLN A 41 53.424 42.041 19.953 1.00 0.00 N ATOM 640 CA GLN A 41 52.484 42.608 20.900 1.00 0.00 C ATOM 641 C GLN A 41 51.786 41.509 21.705 1.00 0.00 C ATOM 642 O GLN A 41 51.382 40.497 21.137 1.00 0.00 O ATOM 643 CB GLN A 41 51.432 43.445 20.179 1.00 0.00 C ATOM 644 CG GLN A 41 51.897 44.697 19.441 1.00 0.00 C ATOM 645 CD GLN A 41 50.704 45.382 18.772 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.574 45.340 19.253 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.856 46.005 17.605 1.00 0.00 N ATOM 0 H GLN A 41 53.002 41.789 19.059 1.00 0.00 H new ATOM 0 HA GLN A 41 53.049 43.244 21.581 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.928 42.800 19.459 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.685 43.748 20.913 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.377 45.383 20.139 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.642 44.432 18.691 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.778 46.061 17.173 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.050 46.426 17.143 1.00 0.00 H new ATOM 656 N ARG A 42 51.550 41.737 22.995 1.00 0.00 N ATOM 657 CA ARG A 42 50.633 40.977 23.820 1.00 0.00 C ATOM 658 C ARG A 42 49.737 41.904 24.644 1.00 0.00 C ATOM 659 O ARG A 42 50.230 42.869 25.225 1.00 0.00 O ATOM 660 CB ARG A 42 51.393 40.018 24.733 1.00 0.00 C ATOM 661 CG ARG A 42 52.142 38.904 24.007 1.00 0.00 C ATOM 662 CD ARG A 42 51.194 37.965 23.267 1.00 0.00 C ATOM 663 NE ARG A 42 51.913 36.862 22.628 1.00 0.00 N ATOM 664 CZ ARG A 42 52.515 36.856 21.432 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.570 37.933 20.637 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.103 35.725 21.018 1.00 0.00 N ATOM 0 H ARG A 42 52.014 42.487 23.508 1.00 0.00 H new ATOM 0 HA ARG A 42 49.996 40.390 23.158 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.107 40.591 25.325 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.688 39.568 25.432 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.845 39.342 23.298 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.729 38.333 24.727 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.460 37.564 23.966 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.643 38.526 22.512 1.00 0.00 H new ATOM 0 HE ARG A 42 51.961 35.992 23.158 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.141 38.809 20.935 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.041 37.877 19.734 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.085 34.895 21.610 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.568 35.695 20.111 1.00 0.00 H new ATOM 680 N LEU A 43 48.441 41.617 24.700 1.00 0.00 N ATOM 681 CA LEU A 43 47.446 42.378 25.430 1.00 0.00 C ATOM 682 C LEU A 43 46.882 41.604 26.623 1.00 0.00 C ATOM 683 O LEU A 43 46.703 40.389 26.554 1.00 0.00 O ATOM 684 CB LEU A 43 46.328 42.811 24.485 1.00 0.00 C ATOM 685 CG LEU A 43 46.721 43.875 23.465 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.635 43.994 22.400 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.884 45.247 24.113 1.00 0.00 C ATOM 0 H LEU A 43 48.043 40.812 24.216 1.00 0.00 H new ATOM 0 HA LEU A 43 47.937 43.263 25.836 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.965 41.933 23.950 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.496 43.189 25.080 1.00 0.00 H new ATOM 0 HG LEU A 43 47.672 43.567 23.029 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.920 44.755 21.673 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.515 43.036 21.894 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.693 44.276 22.871 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.164 45.977 23.354 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.943 45.546 24.574 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.662 45.199 24.875 1.00 0.00 H new ATOM 699 N ILE A 44 46.567 42.327 27.694 1.00 0.00 N ATOM 700 CA ILE A 44 45.965 41.834 28.916 1.00 0.00 C ATOM 701 C ILE A 44 44.750 42.688 29.286 1.00 0.00 C ATOM 702 O ILE A 44 44.814 43.914 29.243 1.00 0.00 O ATOM 703 CB ILE A 44 46.994 41.767 30.040 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.168 40.861 29.677 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.358 41.309 31.350 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.318 40.842 30.680 1.00 0.00 C ATOM 0 H ILE A 44 46.738 43.332 27.728 1.00 0.00 H new ATOM 0 HA ILE A 44 45.612 40.815 28.755 1.00 0.00 H new ATOM 0 HB ILE A 44 47.377 42.778 30.179 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.796 39.843 29.558 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.559 41.173 28.708 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.118 41.272 32.130 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.575 42.010 31.639 1.00 0.00 H new ATOM 0 HG23 ILE A 44 45.926 40.317 31.217 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.098 40.168 30.326 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.727 41.847 30.784 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.952 40.497 31.647 1.00 0.00 H new ATOM 718 N PHE A 45 43.664 42.046 29.707 1.00 0.00 N ATOM 719 CA PHE A 45 42.512 42.668 30.327 1.00 0.00 C ATOM 720 C PHE A 45 42.050 41.878 31.553 1.00 0.00 C ATOM 721 O PHE A 45 41.805 40.678 31.445 1.00 0.00 O ATOM 722 CB PHE A 45 41.366 42.761 29.323 1.00 0.00 C ATOM 723 CG PHE A 45 40.080 43.296 29.905 1.00 0.00 C ATOM 724 CD1 PHE A 45 39.974 44.649 30.248 1.00 0.00 C ATOM 725 CD2 PHE A 45 38.997 42.436 30.126 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.791 45.136 30.814 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.807 42.924 30.678 1.00 0.00 C ATOM 728 CZ PHE A 45 37.704 44.277 31.020 1.00 0.00 C ATOM 0 H PHE A 45 43.565 41.035 29.619 1.00 0.00 H new ATOM 0 HA PHE A 45 42.803 43.668 30.648 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.672 43.402 28.496 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.180 41.771 28.907 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.805 45.317 30.076 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.081 41.390 29.869 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.716 46.177 31.093 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.972 42.259 30.839 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.786 44.659 31.443 1.00 0.00 H new ATOM 738 N ALA A 46 41.883 42.531 32.700 1.00 0.00 N ATOM 739 CA ALA A 46 41.322 41.962 33.909 1.00 0.00 C ATOM 740 C ALA A 46 41.897 40.600 34.304 1.00 0.00 C ATOM 741 O ALA A 46 41.174 39.666 34.641 1.00 0.00 O ATOM 742 CB ALA A 46 39.801 41.989 33.796 1.00 0.00 C ATOM 0 H ALA A 46 42.147 43.510 32.811 1.00 0.00 H new ATOM 0 HA ALA A 46 41.625 42.584 34.751 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.362 41.564 34.698 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.463 43.019 33.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.490 41.404 32.931 1.00 0.00 H new ATOM 748 N GLY A 47 43.216 40.451 34.219 1.00 0.00 N ATOM 749 CA GLY A 47 43.953 39.235 34.496 1.00 0.00 C ATOM 750 C GLY A 47 43.952 38.157 33.410 1.00 0.00 C ATOM 751 O GLY A 47 44.513 37.086 33.633 1.00 0.00 O ATOM 0 H GLY A 47 43.826 41.219 33.940 1.00 0.00 H new ATOM 0 HA2 GLY A 47 44.988 39.506 34.702 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.551 38.796 35.409 1.00 0.00 H new ATOM 755 N LYS A 48 43.364 38.415 32.246 1.00 0.00 N ATOM 756 CA LYS A 48 43.329 37.524 31.104 1.00 0.00 C ATOM 757 C LYS A 48 44.267 38.029 30.007 1.00 0.00 C ATOM 758 O LYS A 48 44.082 39.139 29.512 1.00 0.00 O ATOM 759 CB LYS A 48 41.906 37.435 30.559 1.00 0.00 C ATOM 760 CG LYS A 48 40.916 36.806 31.537 1.00 0.00 C ATOM 761 CD LYS A 48 39.469 37.124 31.171 1.00 0.00 C ATOM 762 CE LYS A 48 39.104 38.554 31.558 1.00 0.00 C ATOM 763 NZ LYS A 48 37.695 38.857 31.262 1.00 0.00 N ATOM 0 H LYS A 48 42.877 39.294 32.071 1.00 0.00 H new ATOM 0 HA LYS A 48 43.658 36.535 31.423 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.562 38.436 30.300 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.914 36.852 29.638 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.057 35.725 31.551 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.123 37.167 32.544 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.323 36.986 30.100 1.00 0.00 H new ATOM 0 HD3 LYS A 48 38.801 36.426 31.676 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.292 38.702 32.621 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.747 39.251 31.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.381 39.656 31.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.597 39.106 30.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.109 38.023 31.470 1.00 0.00 H new ATOM 777 N GLN A 49 45.230 37.211 29.588 1.00 0.00 N ATOM 778 CA GLN A 49 45.947 37.419 28.346 1.00 0.00 C ATOM 779 C GLN A 49 45.021 37.133 27.162 1.00 0.00 C ATOM 780 O GLN A 49 44.317 36.125 27.143 1.00 0.00 O ATOM 781 CB GLN A 49 47.210 36.565 28.301 1.00 0.00 C ATOM 782 CG GLN A 49 47.999 36.774 27.011 1.00 0.00 C ATOM 783 CD GLN A 49 49.322 36.007 27.004 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.403 36.588 27.077 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.291 34.684 26.878 1.00 0.00 N ATOM 0 H GLN A 49 45.531 36.385 30.106 1.00 0.00 H new ATOM 0 HA GLN A 49 46.265 38.460 28.283 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.842 36.808 29.155 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.939 35.513 28.394 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.393 36.455 26.163 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.198 37.837 26.879 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.396 34.198 26.817 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.162 34.155 26.842 1.00 0.00 H new ATOM 794 N LEU A 50 45.040 38.022 26.175 1.00 0.00 N ATOM 795 CA LEU A 50 44.194 37.974 24.999 1.00 0.00 C ATOM 796 C LEU A 50 44.919 37.275 23.848 1.00 0.00 C ATOM 797 O LEU A 50 46.136 37.393 23.724 1.00 0.00 O ATOM 798 CB LEU A 50 43.738 39.384 24.637 1.00 0.00 C ATOM 799 CG LEU A 50 43.297 40.287 25.785 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.779 41.622 25.257 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.186 39.685 26.639 1.00 0.00 C ATOM 0 H LEU A 50 45.670 38.824 26.177 1.00 0.00 H new ATOM 0 HA LEU A 50 43.301 37.385 25.209 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.554 39.879 24.111 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.909 39.302 23.934 1.00 0.00 H new ATOM 0 HG LEU A 50 44.187 40.415 26.401 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.470 42.249 26.093 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.570 42.124 24.699 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.927 41.448 24.601 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.922 40.380 27.436 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.311 39.497 26.017 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.530 38.747 27.075 1.00 0.00 H new ATOM 813 N GLU A 51 44.196 36.566 22.985 1.00 0.00 N ATOM 814 CA GLU A 51 44.737 35.854 21.846 1.00 0.00 C ATOM 815 C GLU A 51 44.052 36.245 20.535 1.00 0.00 C ATOM 816 O GLU A 51 42.862 36.547 20.484 1.00 0.00 O ATOM 817 CB GLU A 51 44.696 34.346 22.076 1.00 0.00 C ATOM 818 CG GLU A 51 45.740 33.887 23.091 1.00 0.00 C ATOM 819 CD GLU A 51 45.506 32.442 23.532 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.870 31.508 22.784 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.981 32.250 24.650 1.00 0.00 O ATOM 0 H GLU A 51 43.184 36.472 23.068 1.00 0.00 H new ATOM 0 HA GLU A 51 45.781 36.151 21.747 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.703 34.061 22.424 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.862 33.832 21.129 1.00 0.00 H new ATOM 0 HG2 GLU A 51 46.735 33.977 22.655 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.713 34.542 23.962 1.00 0.00 H new ATOM 828 N ASP A 52 44.831 36.246 19.458 1.00 0.00 N ATOM 829 CA ASP A 52 44.514 36.840 18.174 1.00 0.00 C ATOM 830 C ASP A 52 43.252 36.279 17.516 1.00 0.00 C ATOM 831 O ASP A 52 42.528 37.033 16.870 1.00 0.00 O ATOM 832 CB ASP A 52 45.718 36.683 17.251 1.00 0.00 C ATOM 833 CG ASP A 52 46.998 37.322 17.795 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.523 38.285 17.194 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.517 36.852 18.829 1.00 0.00 O ATOM 0 H ASP A 52 45.751 35.806 19.463 1.00 0.00 H new ATOM 0 HA ASP A 52 44.295 37.893 18.353 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.897 35.622 17.079 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.483 37.127 16.284 1.00 0.00 H new ATOM 840 N GLY A 53 42.941 34.999 17.695 1.00 0.00 N ATOM 841 CA GLY A 53 41.797 34.325 17.116 1.00 0.00 C ATOM 842 C GLY A 53 40.451 34.533 17.815 1.00 0.00 C ATOM 843 O GLY A 53 39.528 33.757 17.578 1.00 0.00 O ATOM 0 H GLY A 53 43.509 34.381 18.275 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.697 34.652 16.081 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.007 33.256 17.094 1.00 0.00 H new ATOM 847 N ARG A 54 40.316 35.506 18.711 1.00 0.00 N ATOM 848 CA ARG A 54 39.107 35.803 19.452 1.00 0.00 C ATOM 849 C ARG A 54 38.756 37.291 19.383 1.00 0.00 C ATOM 850 O ARG A 54 39.522 38.093 18.855 1.00 0.00 O ATOM 851 CB ARG A 54 39.273 35.323 20.891 1.00 0.00 C ATOM 852 CG ARG A 54 39.449 33.819 21.082 1.00 0.00 C ATOM 853 CD ARG A 54 38.253 32.981 20.640 1.00 0.00 C ATOM 854 NE ARG A 54 38.516 31.555 20.828 1.00 0.00 N ATOM 855 CZ ARG A 54 39.235 30.767 20.018 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.719 31.197 18.844 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.525 29.506 20.365 1.00 0.00 N ATOM 0 H ARG A 54 41.084 36.134 18.947 1.00 0.00 H new ATOM 0 HA ARG A 54 38.270 35.272 18.999 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.138 35.827 21.323 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.400 35.641 21.461 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.329 33.495 20.526 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.647 33.620 22.135 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.371 33.270 21.211 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.033 33.179 19.591 1.00 0.00 H new ATOM 0 HE ARG A 54 38.113 31.118 21.657 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.544 32.155 18.540 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.262 30.566 18.255 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.197 29.134 21.256 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.074 28.918 19.738 1.00 0.00 H new ATOM 871 N THR A 55 37.582 37.662 19.885 1.00 0.00 N ATOM 872 CA THR A 55 37.049 39.010 19.870 1.00 0.00 C ATOM 873 C THR A 55 37.079 39.686 21.242 1.00 0.00 C ATOM 874 O THR A 55 37.216 39.017 22.265 1.00 0.00 O ATOM 875 CB THR A 55 35.634 39.046 19.299 1.00 0.00 C ATOM 876 OG1 THR A 55 34.713 38.466 20.197 1.00 0.00 O ATOM 877 CG2 THR A 55 35.481 38.336 17.957 1.00 0.00 C ATOM 0 H THR A 55 36.952 36.997 20.333 1.00 0.00 H new ATOM 0 HA THR A 55 37.710 39.579 19.217 1.00 0.00 H new ATOM 0 HB THR A 55 35.429 40.105 19.145 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.852 37.496 20.227 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.446 38.409 17.623 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.134 38.805 17.221 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.754 37.286 18.067 1.00 0.00 H new ATOM 885 N LEU A 56 36.899 41.003 21.291 1.00 0.00 N ATOM 886 CA LEU A 56 36.785 41.741 22.533 1.00 0.00 C ATOM 887 C LEU A 56 35.674 41.215 23.445 1.00 0.00 C ATOM 888 O LEU A 56 35.863 41.116 24.656 1.00 0.00 O ATOM 889 CB LEU A 56 36.593 43.223 22.223 1.00 0.00 C ATOM 890 CG LEU A 56 37.794 43.934 21.607 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.395 45.351 21.204 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.969 44.054 22.572 1.00 0.00 C ATOM 0 H LEU A 56 36.828 41.588 20.458 1.00 0.00 H new ATOM 0 HA LEU A 56 37.711 41.599 23.089 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.746 43.326 21.544 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.325 43.736 23.147 1.00 0.00 H new ATOM 0 HG LEU A 56 38.102 43.334 20.751 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.253 45.859 20.764 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.586 45.308 20.475 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.061 45.899 22.085 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.794 44.568 22.079 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.662 44.621 23.451 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.292 43.059 22.877 1.00 0.00 H new ATOM 904 N SER A 57 34.542 40.800 22.885 1.00 0.00 N ATOM 905 CA SER A 57 33.441 40.198 23.610 1.00 0.00 C ATOM 906 C SER A 57 33.742 38.801 24.157 1.00 0.00 C ATOM 907 O SER A 57 33.139 38.423 25.159 1.00 0.00 O ATOM 908 CB SER A 57 32.182 40.117 22.752 1.00 0.00 C ATOM 909 OG SER A 57 31.715 41.407 22.431 1.00 0.00 O ATOM 0 H SER A 57 34.366 40.878 21.883 1.00 0.00 H new ATOM 0 HA SER A 57 33.283 40.862 24.460 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.394 39.563 21.837 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.407 39.566 23.285 1.00 0.00 H new ATOM 0 HG SER A 57 32.380 41.868 21.878 1.00 0.00 H new ATOM 915 N ASP A 58 34.687 38.052 23.597 1.00 0.00 N ATOM 916 CA ASP A 58 35.107 36.773 24.135 1.00 0.00 C ATOM 917 C ASP A 58 35.880 36.904 25.449 1.00 0.00 C ATOM 918 O ASP A 58 35.942 35.947 26.219 1.00 0.00 O ATOM 919 CB ASP A 58 35.942 36.012 23.109 1.00 0.00 C ATOM 920 CG ASP A 58 35.113 35.592 21.894 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.125 34.852 22.096 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.437 35.994 20.755 1.00 0.00 O ATOM 0 H ASP A 58 35.184 38.323 22.749 1.00 0.00 H new ATOM 0 HA ASP A 58 34.198 36.214 24.355 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.773 36.637 22.782 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.373 35.127 23.577 1.00 0.00 H new ATOM 927 N TYR A 59 36.416 38.089 25.729 1.00 0.00 N ATOM 928 CA TYR A 59 37.128 38.420 26.947 1.00 0.00 C ATOM 929 C TYR A 59 36.387 39.411 27.849 1.00 0.00 C ATOM 930 O TYR A 59 36.982 39.930 28.789 1.00 0.00 O ATOM 931 CB TYR A 59 38.538 38.882 26.594 1.00 0.00 C ATOM 932 CG TYR A 59 39.334 37.864 25.814 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.782 36.698 26.447 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.642 38.093 24.468 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.543 35.759 25.741 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.430 37.177 23.761 1.00 0.00 C ATOM 937 CZ TYR A 59 40.875 35.998 24.392 1.00 0.00 C ATOM 938 OH TYR A 59 41.639 35.107 23.697 1.00 0.00 O ATOM 0 H TYR A 59 36.360 38.875 25.081 1.00 0.00 H new ATOM 0 HA TYR A 59 37.192 37.516 27.552 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.474 39.802 26.013 1.00 0.00 H new ATOM 0 HB3 TYR A 59 39.073 39.121 27.513 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.539 36.522 27.485 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.271 38.979 23.974 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.875 34.854 26.228 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.697 37.374 22.733 1.00 0.00 H new ATOM 0 HH TYR A 59 41.188 34.237 23.674 1.00 0.00 H new ATOM 948 N ASN A 60 35.099 39.641 27.609 1.00 0.00 N ATOM 949 CA ASN A 60 34.238 40.494 28.403 1.00 0.00 C ATOM 950 C ASN A 60 34.715 41.944 28.508 1.00 0.00 C ATOM 951 O ASN A 60 34.564 42.584 29.546 1.00 0.00 O ATOM 952 CB ASN A 60 33.916 39.813 29.730 1.00 0.00 C ATOM 953 CG ASN A 60 33.107 38.521 29.594 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.576 38.167 28.543 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.980 37.767 30.681 1.00 0.00 N ATOM 0 H ASN A 60 34.612 39.217 26.820 1.00 0.00 H new ATOM 0 HA ASN A 60 33.293 40.613 27.872 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.849 39.591 30.247 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.362 40.511 30.358 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.444 36.900 30.640 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.418 38.055 31.556 1.00 0.00 H new ATOM 962 N ILE A 61 35.285 42.491 27.438 1.00 0.00 N ATOM 963 CA ILE A 61 35.711 43.873 27.346 1.00 0.00 C ATOM 964 C ILE A 61 34.512 44.755 26.994 1.00 0.00 C ATOM 965 O ILE A 61 33.668 44.363 26.191 1.00 0.00 O ATOM 966 CB ILE A 61 36.884 43.985 26.376 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.087 43.221 26.921 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.279 45.439 26.138 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.187 42.920 25.907 1.00 0.00 C ATOM 0 H ILE A 61 35.467 41.961 26.585 1.00 0.00 H new ATOM 0 HA ILE A 61 36.081 44.236 28.305 1.00 0.00 H new ATOM 0 HB ILE A 61 36.567 43.555 25.426 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.519 43.795 27.741 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.737 42.278 27.342 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.117 45.479 25.442 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.432 45.982 25.718 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.570 45.896 27.084 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.994 42.375 26.397 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.780 42.315 25.097 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.574 43.855 25.502 1.00 0.00 H new ATOM 981 N GLN A 62 34.420 45.937 27.598 1.00 0.00 N ATOM 982 CA GLN A 62 33.271 46.819 27.566 1.00 0.00 C ATOM 983 C GLN A 62 33.641 48.243 27.147 1.00 0.00 C ATOM 984 O GLN A 62 34.795 48.535 26.838 1.00 0.00 O ATOM 985 CB GLN A 62 32.600 46.784 28.936 1.00 0.00 C ATOM 986 CG GLN A 62 31.928 45.453 29.261 1.00 0.00 C ATOM 987 CD GLN A 62 31.038 45.508 30.505 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.764 46.550 31.093 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.534 44.368 30.969 1.00 0.00 N ATOM 0 H GLN A 62 35.188 46.319 28.150 1.00 0.00 H new ATOM 0 HA GLN A 62 32.572 46.468 26.807 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.346 47.000 29.701 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.855 47.578 28.985 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.327 45.140 28.407 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.696 44.693 29.406 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.746 43.488 30.499 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.935 44.374 31.795 1.00 0.00 H new ATOM 998 N LYS A 63 32.670 49.152 27.130 1.00 0.00 N ATOM 999 CA LYS A 63 32.886 50.551 26.823 1.00 0.00 C ATOM 1000 C LYS A 63 33.904 51.180 27.777 1.00 0.00 C ATOM 1001 O LYS A 63 33.768 51.084 28.995 1.00 0.00 O ATOM 1002 CB LYS A 63 31.563 51.310 26.818 1.00 0.00 C ATOM 1003 CG LYS A 63 31.736 52.783 26.457 1.00 0.00 C ATOM 1004 CD LYS A 63 30.425 53.501 26.146 1.00 0.00 C ATOM 1005 CE LYS A 63 29.511 53.660 27.357 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.328 54.469 27.028 1.00 0.00 N ATOM 0 H LYS A 63 31.696 48.927 27.334 1.00 0.00 H new ATOM 0 HA LYS A 63 33.309 50.620 25.821 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.882 50.842 26.107 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.099 51.232 27.801 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.232 53.294 27.283 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.395 52.860 25.592 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.649 54.487 25.739 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.894 52.949 25.371 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.196 52.678 27.710 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.061 54.130 28.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.725 54.560 27.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.630 55.414 26.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.792 54.006 26.267 1.00 0.00 H new ATOM 1020 N GLU A 64 34.913 51.829 27.204 1.00 0.00 N ATOM 1021 CA GLU A 64 35.975 52.535 27.894 1.00 0.00 C ATOM 1022 C GLU A 64 36.810 51.677 28.847 1.00 0.00 C ATOM 1023 O GLU A 64 37.493 52.207 29.719 1.00 0.00 O ATOM 1024 CB GLU A 64 35.450 53.848 28.466 1.00 0.00 C ATOM 1025 CG GLU A 64 35.169 54.861 27.359 1.00 0.00 C ATOM 1026 CD GLU A 64 34.481 56.119 27.893 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.039 56.820 28.765 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.354 56.421 27.444 1.00 0.00 O ATOM 0 H GLU A 64 35.012 51.876 26.190 1.00 0.00 H new ATOM 0 HA GLU A 64 36.729 52.800 27.153 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.537 53.662 29.032 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.179 54.261 29.163 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.106 55.138 26.875 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.541 54.400 26.597 1.00 0.00 H new ATOM 1035 N SER A 65 36.799 50.358 28.675 1.00 0.00 N ATOM 1036 CA SER A 65 37.725 49.450 29.321 1.00 0.00 C ATOM 1037 C SER A 65 39.181 49.811 29.018 1.00 0.00 C ATOM 1038 O SER A 65 39.503 50.222 27.905 1.00 0.00 O ATOM 1039 CB SER A 65 37.494 48.022 28.836 1.00 0.00 C ATOM 1040 OG SER A 65 36.307 47.458 29.345 1.00 0.00 O ATOM 0 H SER A 65 36.129 49.886 28.068 1.00 0.00 H new ATOM 0 HA SER A 65 37.546 49.532 30.393 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.456 48.015 27.747 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.341 47.402 29.130 1.00 0.00 H new ATOM 0 HG SER A 65 36.525 46.674 29.892 1.00 0.00 H new ATOM 1046 N THR A 66 40.069 49.576 29.979 1.00 0.00 N ATOM 1047 CA THR A 66 41.498 49.776 29.834 1.00 0.00 C ATOM 1048 C THR A 66 42.235 48.436 29.784 1.00 0.00 C ATOM 1049 O THR A 66 42.042 47.569 30.633 1.00 0.00 O ATOM 1050 CB THR A 66 42.068 50.683 30.919 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.401 51.926 30.914 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.543 51.010 30.705 1.00 0.00 C ATOM 0 H THR A 66 39.803 49.233 30.902 1.00 0.00 H new ATOM 0 HA THR A 66 41.656 50.287 28.884 1.00 0.00 H new ATOM 0 HB THR A 66 41.937 50.136 31.853 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.774 52.500 31.616 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.892 51.658 31.509 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.124 50.088 30.705 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.668 51.518 29.749 1.00 0.00 H new ATOM 1060 N LEU A 67 43.091 48.287 28.778 1.00 0.00 N ATOM 1061 CA LEU A 67 43.943 47.144 28.521 1.00 0.00 C ATOM 1062 C LEU A 67 45.402 47.508 28.802 1.00 0.00 C ATOM 1063 O LEU A 67 45.813 48.652 28.622 1.00 0.00 O ATOM 1064 CB LEU A 67 43.794 46.701 27.068 1.00 0.00 C ATOM 1065 CG LEU A 67 42.551 45.901 26.691 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.229 46.635 26.889 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.638 45.504 25.219 1.00 0.00 C ATOM 0 H LEU A 67 43.212 49.016 28.075 1.00 0.00 H new ATOM 0 HA LEU A 67 43.645 46.326 29.177 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.821 47.593 26.442 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.668 46.103 26.809 1.00 0.00 H new ATOM 0 HG LEU A 67 42.545 45.044 27.365 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.405 45.986 26.594 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.118 46.908 27.938 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.218 47.536 26.276 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.752 44.932 24.944 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.696 46.401 24.603 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.528 44.895 25.058 1.00 0.00 H new ATOM 1079 N HIS A 68 46.214 46.518 29.163 1.00 0.00 N ATOM 1080 CA HIS A 68 47.654 46.653 29.259 1.00 0.00 C ATOM 1081 C HIS A 68 48.331 45.971 28.069 1.00 0.00 C ATOM 1082 O HIS A 68 47.943 44.869 27.688 1.00 0.00 O ATOM 1083 CB HIS A 68 48.145 46.130 30.606 1.00 0.00 C ATOM 1084 CG HIS A 68 47.910 47.089 31.740 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.672 47.586 32.147 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.885 47.649 32.525 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.919 48.431 33.150 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.236 48.484 33.412 1.00 0.00 N ATOM 0 H HIS A 68 45.878 45.585 29.400 1.00 0.00 H new ATOM 0 HA HIS A 68 47.928 47.707 29.213 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.643 45.188 30.827 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.211 45.915 30.537 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.949 47.472 32.462 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.164 48.995 33.678 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.679 49.044 34.140 1.00 0.00 H new ATOM 1096 N LEU A 69 49.336 46.625 27.492 1.00 0.00 N ATOM 1097 CA LEU A 69 50.149 46.159 26.387 1.00 0.00 C ATOM 1098 C LEU A 69 51.553 45.804 26.882 1.00 0.00 C ATOM 1099 O LEU A 69 52.147 46.527 27.677 1.00 0.00 O ATOM 1100 CB LEU A 69 50.171 47.229 25.299 1.00 0.00 C ATOM 1101 CG LEU A 69 51.054 46.950 24.087 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.557 45.794 23.225 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.099 48.190 23.197 1.00 0.00 C ATOM 0 H LEU A 69 49.617 47.553 27.809 1.00 0.00 H new ATOM 0 HA LEU A 69 49.724 45.251 25.959 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.150 47.381 24.949 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.496 48.167 25.749 1.00 0.00 H new ATOM 0 HG LEU A 69 52.034 46.685 24.483 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.233 45.652 22.382 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.525 44.882 23.822 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.557 46.020 22.855 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.730 47.993 22.330 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.091 48.436 22.864 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.509 49.028 23.761 1.00 0.00 H new ATOM 1115 N VAL A 70 52.069 44.687 26.378 1.00 0.00 N ATOM 1116 CA VAL A 70 53.380 44.140 26.663 1.00 0.00 C ATOM 1117 C VAL A 70 54.104 43.898 25.337 1.00 0.00 C ATOM 1118 O VAL A 70 53.531 43.324 24.412 1.00 0.00 O ATOM 1119 CB VAL A 70 53.242 42.851 27.468 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.591 42.223 27.808 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.492 43.063 28.781 1.00 0.00 C ATOM 0 H VAL A 70 51.546 44.109 25.720 1.00 0.00 H new ATOM 0 HA VAL A 70 53.964 44.839 27.262 1.00 0.00 H new ATOM 0 HB VAL A 70 52.677 42.182 26.819 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.433 41.309 28.381 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.125 41.986 26.887 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.180 42.924 28.399 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.421 42.116 29.316 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.029 43.787 29.394 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.490 43.438 28.571 1.00 0.00 H new