USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00372 X(o=-0.0037,f=-0.00076) USER MOD Single : A 28 SER OG : rot -37:sc= -0.0274 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.549 K(o=-0.55,f=-4!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -117:sc= -1.22 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 72:sc= 0.596 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -5.180 -14.331 22.816 1.00 0.00 N ATOM 19 CA SER A 2 -6.013 -15.503 22.613 1.00 0.00 C ATOM 20 C SER A 2 -5.890 -15.990 21.168 1.00 0.00 C ATOM 21 O SER A 2 -5.082 -15.469 20.400 1.00 0.00 O ATOM 22 CB SER A 2 -7.476 -15.205 22.950 1.00 0.00 C ATOM 23 OG SER A 2 -8.020 -16.158 23.859 1.00 0.00 O ATOM 0 HA SER A 2 -5.666 -16.288 23.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.552 -14.207 23.382 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.066 -15.201 22.033 1.00 0.00 H new ATOM 0 HG SER A 2 -8.954 -15.932 24.050 1.00 0.00 H new ATOM 29 N LEU A 3 -6.703 -16.983 20.840 1.00 0.00 N ATOM 30 CA LEU A 3 -6.695 -17.546 19.500 1.00 0.00 C ATOM 31 C LEU A 3 -7.629 -16.730 18.604 1.00 0.00 C ATOM 32 O LEU A 3 -7.315 -16.477 17.442 1.00 0.00 O ATOM 33 CB LEU A 3 -7.032 -19.038 19.544 1.00 0.00 C ATOM 34 CG LEU A 3 -6.173 -19.892 20.478 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.839 -21.242 20.753 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.756 -20.055 19.924 1.00 0.00 C ATOM 0 H LEU A 3 -7.372 -17.413 21.479 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.698 -17.481 19.065 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.075 -19.146 19.842 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.945 -19.440 18.534 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.088 -19.374 21.433 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.208 -21.830 21.420 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.810 -21.080 21.221 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.974 -21.779 19.814 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.166 -20.666 20.607 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.800 -20.540 18.949 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.291 -19.075 19.821 1.00 0.00 H new ATOM 48 N GLY A 4 -8.758 -16.341 19.178 1.00 0.00 N ATOM 49 CA GLY A 4 -9.740 -15.560 18.445 1.00 0.00 C ATOM 50 C GLY A 4 -9.150 -14.221 17.996 1.00 0.00 C ATOM 51 O GLY A 4 -9.275 -13.843 16.832 1.00 0.00 O ATOM 0 H GLY A 4 -9.015 -16.552 20.142 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.081 -16.121 17.575 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.613 -15.385 19.073 1.00 0.00 H new ATOM 55 N VAL A 5 -8.519 -13.541 18.942 1.00 0.00 N ATOM 56 CA VAL A 5 -7.910 -12.253 18.658 1.00 0.00 C ATOM 57 C VAL A 5 -6.849 -12.425 17.569 1.00 0.00 C ATOM 58 O VAL A 5 -6.649 -11.532 16.746 1.00 0.00 O ATOM 59 CB VAL A 5 -7.352 -11.643 19.945 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.184 -12.472 20.483 1.00 0.00 C ATOM 61 CG2 VAL A 5 -6.936 -10.187 19.726 1.00 0.00 C ATOM 0 H VAL A 5 -8.416 -13.858 19.906 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.655 -11.553 18.279 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.145 -11.656 20.693 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.806 -12.017 21.398 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.525 -13.485 20.696 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.388 -12.505 19.739 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.543 -9.777 20.656 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.167 -10.140 18.955 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.802 -9.605 19.410 1.00 0.00 H new ATOM 71 N LEU A 6 -6.198 -13.578 17.598 1.00 0.00 N ATOM 72 CA LEU A 6 -5.163 -13.878 16.623 1.00 0.00 C ATOM 73 C LEU A 6 -5.755 -13.793 15.215 1.00 0.00 C ATOM 74 O LEU A 6 -5.215 -13.104 14.351 1.00 0.00 O ATOM 75 CB LEU A 6 -4.507 -15.224 16.935 1.00 0.00 C ATOM 76 CG LEU A 6 -3.292 -15.593 16.081 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.755 -16.975 16.458 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.619 -15.492 14.590 1.00 0.00 C ATOM 0 H LEU A 6 -6.367 -14.316 18.281 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.363 -13.140 16.677 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.204 -15.224 17.982 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.257 -16.006 16.821 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.499 -14.873 16.286 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.892 -17.212 15.836 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.458 -16.976 17.507 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.532 -17.723 16.300 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.739 -15.759 14.006 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.435 -16.173 14.349 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.917 -14.471 14.351 1.00 0.00 H new ATOM 90 N ALA A 7 -6.857 -14.504 15.027 1.00 0.00 N ATOM 91 CA ALA A 7 -7.528 -14.519 13.739 1.00 0.00 C ATOM 92 C ALA A 7 -7.873 -13.084 13.333 1.00 0.00 C ATOM 93 O ALA A 7 -7.860 -12.751 12.149 1.00 0.00 O ATOM 94 CB ALA A 7 -8.765 -15.416 13.817 1.00 0.00 C ATOM 0 H ALA A 7 -7.302 -15.074 15.746 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.875 -14.932 12.971 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.268 -15.427 12.850 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.463 -16.430 14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.446 -15.031 14.576 1.00 0.00 H new ATOM 100 N ALA A 8 -8.174 -12.275 14.337 1.00 0.00 N ATOM 101 CA ALA A 8 -8.522 -10.884 14.100 1.00 0.00 C ATOM 102 C ALA A 8 -7.293 -10.137 13.578 1.00 0.00 C ATOM 103 O ALA A 8 -7.416 -9.224 12.763 1.00 0.00 O ATOM 104 CB ALA A 8 -9.076 -10.269 15.386 1.00 0.00 C ATOM 0 H ALA A 8 -8.184 -12.556 15.318 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.301 -10.808 13.341 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.337 -9.226 15.207 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.965 -10.817 15.698 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.321 -10.325 16.171 1.00 0.00 H new ATOM 110 N ALA A 9 -6.135 -10.553 14.070 1.00 0.00 N ATOM 111 CA ALA A 9 -4.884 -9.934 13.664 1.00 0.00 C ATOM 112 C ALA A 9 -4.600 -10.281 12.201 1.00 0.00 C ATOM 113 O ALA A 9 -3.969 -9.504 11.486 1.00 0.00 O ATOM 114 CB ALA A 9 -3.762 -10.389 14.600 1.00 0.00 C ATOM 0 H ALA A 9 -6.037 -11.311 14.746 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.950 -8.849 13.738 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.824 -9.925 14.296 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.998 -10.093 15.622 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.664 -11.473 14.550 1.00 0.00 H new ATOM 120 N ILE A 10 -5.079 -11.450 11.799 1.00 0.00 N ATOM 121 CA ILE A 10 -4.885 -11.909 10.435 1.00 0.00 C ATOM 122 C ILE A 10 -5.879 -11.197 9.515 1.00 0.00 C ATOM 123 O ILE A 10 -5.484 -10.574 8.531 1.00 0.00 O ATOM 124 CB ILE A 10 -4.968 -13.435 10.366 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.594 -14.069 10.593 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.599 -13.891 9.050 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.627 -15.043 11.773 1.00 0.00 C ATOM 0 H ILE A 10 -5.601 -12.092 12.395 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.885 -11.651 10.085 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.618 -13.779 11.170 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.279 -14.595 9.692 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.856 -13.289 10.781 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.646 -14.980 9.027 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.606 -13.483 8.969 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.995 -13.536 8.215 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.638 -15.479 11.912 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.919 -14.509 12.677 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.348 -15.835 11.571 1.00 0.00 H new ATOM 139 N ALA A 11 -7.151 -11.314 9.868 1.00 0.00 N ATOM 140 CA ALA A 11 -8.205 -10.690 9.087 1.00 0.00 C ATOM 141 C ALA A 11 -7.890 -9.203 8.909 1.00 0.00 C ATOM 142 O ALA A 11 -8.379 -8.569 7.976 1.00 0.00 O ATOM 143 CB ALA A 11 -9.554 -10.922 9.771 1.00 0.00 C ATOM 0 H ALA A 11 -7.475 -11.832 10.685 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.262 -11.136 8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.345 -10.454 9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.744 -11.993 9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.536 -10.485 10.769 1.00 0.00 H new ATOM 149 N VAL A 12 -7.074 -8.691 9.818 1.00 0.00 N ATOM 150 CA VAL A 12 -6.687 -7.291 9.774 1.00 0.00 C ATOM 151 C VAL A 12 -5.587 -7.104 8.727 1.00 0.00 C ATOM 152 O VAL A 12 -5.620 -6.151 7.950 1.00 0.00 O ATOM 153 CB VAL A 12 -6.273 -6.818 11.168 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.173 -5.758 11.083 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.479 -6.295 11.951 1.00 0.00 C ATOM 0 H VAL A 12 -6.670 -9.221 10.590 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.531 -6.670 9.473 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.871 -7.676 11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.897 -5.439 12.088 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.300 -6.179 10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.537 -4.901 10.517 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.156 -5.965 12.939 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.924 -5.456 11.416 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.217 -7.090 12.057 1.00 0.00 H new ATOM 165 N GLY A 13 -4.638 -8.028 8.741 1.00 0.00 N ATOM 166 CA GLY A 13 -3.529 -7.976 7.803 1.00 0.00 C ATOM 167 C GLY A 13 -4.021 -8.146 6.364 1.00 0.00 C ATOM 168 O GLY A 13 -3.493 -7.520 5.446 1.00 0.00 O ATOM 0 H GLY A 13 -4.614 -8.817 9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.008 -7.024 7.903 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.810 -8.760 8.040 1.00 0.00 H new ATOM 172 N LEU A 14 -5.025 -8.996 6.212 1.00 0.00 N ATOM 173 CA LEU A 14 -5.594 -9.257 4.900 1.00 0.00 C ATOM 174 C LEU A 14 -6.394 -8.035 4.445 1.00 0.00 C ATOM 175 O LEU A 14 -6.373 -7.678 3.268 1.00 0.00 O ATOM 176 CB LEU A 14 -6.406 -10.553 4.916 1.00 0.00 C ATOM 177 CG LEU A 14 -5.705 -11.777 5.511 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.724 -12.803 6.010 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.721 -12.385 4.510 1.00 0.00 C ATOM 0 H LEU A 14 -5.460 -9.514 6.976 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.804 -9.413 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.324 -10.376 5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.698 -10.788 3.893 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.125 -11.453 6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.200 -13.663 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.349 -12.350 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.350 -13.128 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.236 -13.253 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.258 -12.692 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.966 -11.644 4.246 1.00 0.00 H new ATOM 191 N GLY A 15 -7.082 -7.428 5.401 1.00 0.00 N ATOM 192 CA GLY A 15 -7.887 -6.253 5.112 1.00 0.00 C ATOM 193 C GLY A 15 -7.004 -5.052 4.771 1.00 0.00 C ATOM 194 O GLY A 15 -7.241 -4.364 3.779 1.00 0.00 O ATOM 0 H GLY A 15 -7.099 -7.728 6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.558 -6.464 4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.512 -6.016 5.973 1.00 0.00 H new ATOM 198 N ALA A 16 -6.003 -4.836 5.612 1.00 0.00 N ATOM 199 CA ALA A 16 -5.083 -3.730 5.412 1.00 0.00 C ATOM 200 C ALA A 16 -4.244 -3.990 4.160 1.00 0.00 C ATOM 201 O ALA A 16 -3.626 -3.073 3.620 1.00 0.00 O ATOM 202 CB ALA A 16 -4.221 -3.549 6.664 1.00 0.00 C ATOM 0 H ALA A 16 -5.809 -5.409 6.434 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.630 -2.800 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.531 -2.719 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.862 -3.337 7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.655 -4.462 6.851 1.00 0.00 H new ATOM 208 N LEU A 17 -4.249 -5.244 3.733 1.00 0.00 N ATOM 209 CA LEU A 17 -3.496 -5.636 2.553 1.00 0.00 C ATOM 210 C LEU A 17 -4.161 -5.045 1.309 1.00 0.00 C ATOM 211 O LEU A 17 -3.532 -4.299 0.560 1.00 0.00 O ATOM 212 CB LEU A 17 -3.337 -7.157 2.501 1.00 0.00 C ATOM 213 CG LEU A 17 -3.182 -7.768 1.107 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.891 -8.584 1.006 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.413 -8.594 0.730 1.00 0.00 C ATOM 0 H LEU A 17 -4.762 -6.002 4.183 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.484 -5.233 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.466 -7.432 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.205 -7.610 2.980 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.106 -6.955 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.805 -9.007 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.036 -7.937 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.911 -9.390 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.277 -9.017 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.545 -9.400 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.296 -7.954 0.735 1.00 0.00 H new ATOM 227 N GLY A 18 -5.424 -5.400 1.127 1.00 0.00 N ATOM 228 CA GLY A 18 -6.181 -4.913 -0.014 1.00 0.00 C ATOM 229 C GLY A 18 -6.588 -3.451 0.181 1.00 0.00 C ATOM 230 O GLY A 18 -6.828 -2.735 -0.790 1.00 0.00 O ATOM 0 H GLY A 18 -5.942 -6.019 1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.583 -5.010 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.071 -5.527 -0.153 1.00 0.00 H new ATOM 234 N ALA A 19 -6.653 -3.052 1.442 1.00 0.00 N ATOM 235 CA ALA A 19 -7.026 -1.688 1.777 1.00 0.00 C ATOM 236 C ALA A 19 -5.840 -0.759 1.509 1.00 0.00 C ATOM 237 O ALA A 19 -5.990 0.270 0.852 1.00 0.00 O ATOM 238 CB ALA A 19 -7.495 -1.629 3.232 1.00 0.00 C ATOM 0 H ALA A 19 -6.454 -3.649 2.245 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.855 -1.353 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.775 -0.606 3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.357 -2.283 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.688 -1.956 3.888 1.00 0.00 H new ATOM 244 N GLY A 20 -4.689 -1.156 2.031 1.00 0.00 N ATOM 245 CA GLY A 20 -3.478 -0.371 1.856 1.00 0.00 C ATOM 246 C GLY A 20 -3.201 -0.114 0.373 1.00 0.00 C ATOM 247 O GLY A 20 -2.859 1.002 -0.013 1.00 0.00 O ATOM 0 H GLY A 20 -4.569 -2.010 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.577 0.579 2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.633 -0.895 2.302 1.00 0.00 H new ATOM 251 N ILE A 21 -3.359 -1.166 -0.417 1.00 0.00 N ATOM 252 CA ILE A 21 -3.130 -1.068 -1.848 1.00 0.00 C ATOM 253 C ILE A 21 -4.143 -0.096 -2.457 1.00 0.00 C ATOM 254 O ILE A 21 -3.825 0.627 -3.400 1.00 0.00 O ATOM 255 CB ILE A 21 -3.148 -2.457 -2.490 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.007 -2.610 -3.498 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.511 -2.753 -3.118 1.00 0.00 C ATOM 258 CD1 ILE A 21 -2.395 -2.028 -4.859 1.00 0.00 C ATOM 0 H ILE A 21 -3.643 -2.090 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.138 -0.662 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.987 -3.198 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.116 -2.106 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.754 -3.664 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.497 -3.746 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.282 -2.714 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.727 -2.010 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.566 -2.150 -5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.271 -2.551 -5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.624 -0.968 -4.749 1.00 0.00 H new ATOM 270 N GLY A 22 -5.342 -0.110 -1.893 1.00 0.00 N ATOM 271 CA GLY A 22 -6.403 0.761 -2.369 1.00 0.00 C ATOM 272 C GLY A 22 -6.152 2.211 -1.948 1.00 0.00 C ATOM 273 O GLY A 22 -6.516 3.141 -2.666 1.00 0.00 O ATOM 0 H GLY A 22 -5.602 -0.711 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.469 0.700 -3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.361 0.424 -1.972 1.00 0.00 H new ATOM 277 N ASN A 23 -5.531 2.357 -0.787 1.00 0.00 N ATOM 278 CA ASN A 23 -5.227 3.678 -0.262 1.00 0.00 C ATOM 279 C ASN A 23 -3.997 4.237 -0.981 1.00 0.00 C ATOM 280 O ASN A 23 -3.822 5.451 -1.068 1.00 0.00 O ATOM 281 CB ASN A 23 -4.913 3.618 1.234 1.00 0.00 C ATOM 282 CG ASN A 23 -4.679 5.019 1.802 1.00 0.00 C ATOM 283 OD1 ASN A 23 -5.595 5.806 1.978 1.00 0.00 O ATOM 284 ND2 ASN A 23 -3.406 5.285 2.078 1.00 0.00 N ATOM 0 H ASN A 23 -5.230 1.583 -0.195 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.098 4.313 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.737 3.140 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.029 3.002 1.399 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.146 6.194 2.461 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.689 4.580 1.906 1.00 0.00 H new ATOM 291 N GLY A 24 -3.176 3.323 -1.479 1.00 0.00 N ATOM 292 CA GLY A 24 -1.968 3.709 -2.187 1.00 0.00 C ATOM 293 C GLY A 24 -2.287 4.144 -3.619 1.00 0.00 C ATOM 294 O GLY A 24 -1.708 5.105 -4.124 1.00 0.00 O ATOM 0 H GLY A 24 -3.324 2.317 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.476 4.524 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.269 2.873 -2.204 1.00 0.00 H new ATOM 298 N LEU A 25 -3.208 3.416 -4.233 1.00 0.00 N ATOM 299 CA LEU A 25 -3.611 3.714 -5.597 1.00 0.00 C ATOM 300 C LEU A 25 -4.385 5.033 -5.618 1.00 0.00 C ATOM 301 O LEU A 25 -4.291 5.797 -6.579 1.00 0.00 O ATOM 302 CB LEU A 25 -4.384 2.538 -6.197 1.00 0.00 C ATOM 303 CG LEU A 25 -5.649 2.114 -5.446 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.785 3.111 -5.681 1.00 0.00 C ATOM 305 CD2 LEU A 25 -6.053 0.686 -5.816 1.00 0.00 C ATOM 0 H LEU A 25 -3.687 2.620 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.735 3.847 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.661 2.795 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.714 1.680 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.431 2.120 -4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.672 2.787 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.483 4.097 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.011 3.161 -6.746 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.954 0.410 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.247 0.629 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.246 0.001 -5.556 1.00 0.00 H new ATOM 317 N ILE A 26 -5.132 5.262 -4.548 1.00 0.00 N ATOM 318 CA ILE A 26 -5.921 6.476 -4.432 1.00 0.00 C ATOM 319 C ILE A 26 -4.987 7.688 -4.423 1.00 0.00 C ATOM 320 O ILE A 26 -5.192 8.640 -5.175 1.00 0.00 O ATOM 321 CB ILE A 26 -6.843 6.401 -3.214 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.259 5.988 -3.621 1.00 0.00 C ATOM 323 CG2 ILE A 26 -6.833 7.719 -2.436 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.947 7.099 -4.417 1.00 0.00 C ATOM 0 H ILE A 26 -5.207 4.627 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.578 6.587 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.462 5.629 -2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.218 5.078 -4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.844 5.758 -2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.497 7.638 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.820 7.932 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.175 8.526 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.952 6.780 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.008 8.000 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.372 7.310 -5.319 1.00 0.00 H new ATOM 336 N VAL A 27 -3.981 7.613 -3.564 1.00 0.00 N ATOM 337 CA VAL A 27 -3.015 8.692 -3.447 1.00 0.00 C ATOM 338 C VAL A 27 -2.193 8.776 -4.735 1.00 0.00 C ATOM 339 O VAL A 27 -1.843 9.867 -5.182 1.00 0.00 O ATOM 340 CB VAL A 27 -2.154 8.490 -2.199 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.270 7.249 -2.338 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.311 9.733 -1.908 1.00 0.00 C ATOM 0 H VAL A 27 -3.814 6.822 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.523 9.648 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.822 8.332 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.668 7.128 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.898 6.369 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.613 7.365 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.708 9.563 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.656 9.935 -2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.967 10.588 -1.745 1.00 0.00 H new ATOM 352 N SER A 28 -1.907 7.609 -5.293 1.00 0.00 N ATOM 353 CA SER A 28 -1.132 7.536 -6.520 1.00 0.00 C ATOM 354 C SER A 28 -1.899 8.204 -7.664 1.00 0.00 C ATOM 355 O SER A 28 -1.295 8.735 -8.594 1.00 0.00 O ATOM 356 CB SER A 28 -0.802 6.086 -6.878 1.00 0.00 C ATOM 357 OG SER A 28 -1.878 5.445 -7.556 1.00 0.00 O ATOM 0 H SER A 28 -2.198 6.706 -4.918 1.00 0.00 H new ATOM 0 HA SER A 28 -0.192 8.066 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.088 6.062 -7.506 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.566 5.533 -5.969 1.00 0.00 H new ATOM 0 HG SER A 28 -2.730 5.750 -7.179 1.00 0.00 H new ATOM 363 N ARG A 29 -3.218 8.154 -7.557 1.00 0.00 N ATOM 364 CA ARG A 29 -4.074 8.747 -8.571 1.00 0.00 C ATOM 365 C ARG A 29 -4.119 10.267 -8.404 1.00 0.00 C ATOM 366 O ARG A 29 -4.304 10.997 -9.377 1.00 0.00 O ATOM 367 CB ARG A 29 -5.496 8.189 -8.487 1.00 0.00 C ATOM 368 CG ARG A 29 -6.225 8.341 -9.823 1.00 0.00 C ATOM 369 CD ARG A 29 -6.977 9.672 -9.890 1.00 0.00 C ATOM 370 NE ARG A 29 -8.163 9.539 -10.765 1.00 0.00 N ATOM 371 CZ ARG A 29 -9.175 10.418 -10.797 1.00 0.00 C ATOM 372 NH1 ARG A 29 -9.150 11.497 -10.003 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.210 10.217 -11.623 1.00 0.00 N ATOM 0 H ARG A 29 -3.715 7.712 -6.784 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.655 8.497 -9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.461 7.137 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.049 8.710 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.507 8.283 -10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.926 7.516 -9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.285 9.976 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.319 10.452 -10.272 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.214 8.728 -11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.361 11.650 -9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.920 12.166 -10.027 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.228 9.396 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.980 10.885 -11.648 1.00 0.00 H new ATOM 387 N THR A 30 -3.948 10.700 -7.163 1.00 0.00 N ATOM 388 CA THR A 30 -3.967 12.120 -6.856 1.00 0.00 C ATOM 389 C THR A 30 -2.623 12.760 -7.209 1.00 0.00 C ATOM 390 O THR A 30 -2.579 13.875 -7.727 1.00 0.00 O ATOM 391 CB THR A 30 -4.348 12.280 -5.383 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.183 13.435 -5.364 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.154 12.669 -4.509 1.00 0.00 C ATOM 0 H THR A 30 -3.796 10.092 -6.358 1.00 0.00 H new ATOM 0 HA THR A 30 -4.709 12.645 -7.458 1.00 0.00 H new ATOM 0 HB THR A 30 -4.779 11.348 -5.016 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.477 13.611 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.479 12.770 -3.473 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.388 11.897 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.744 13.618 -4.855 1.00 0.00 H new ATOM 401 N ILE A 31 -1.559 12.026 -6.915 1.00 0.00 N ATOM 402 CA ILE A 31 -0.217 12.508 -7.195 1.00 0.00 C ATOM 403 C ILE A 31 0.021 12.492 -8.707 1.00 0.00 C ATOM 404 O ILE A 31 0.619 13.416 -9.255 1.00 0.00 O ATOM 405 CB ILE A 31 0.816 11.707 -6.401 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.205 12.341 -6.513 1.00 0.00 C ATOM 407 CG2 ILE A 31 0.820 10.239 -6.830 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.259 13.678 -5.771 1.00 0.00 C ATOM 0 H ILE A 31 -1.599 11.102 -6.486 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.107 13.541 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 31 0.533 11.734 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.953 11.663 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.456 12.493 -7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.563 9.692 -6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.165 9.807 -6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.065 10.170 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.256 14.107 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.527 14.362 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.032 13.519 -4.717 1.00 0.00 H new ATOM 420 N GLU A 32 -0.459 11.430 -9.337 1.00 0.00 N ATOM 421 CA GLU A 32 -0.306 11.280 -10.775 1.00 0.00 C ATOM 422 C GLU A 32 -1.164 12.312 -11.510 1.00 0.00 C ATOM 423 O GLU A 32 -0.805 12.762 -12.597 1.00 0.00 O ATOM 424 CB GLU A 32 -0.656 9.859 -11.219 1.00 0.00 C ATOM 425 CG GLU A 32 -2.170 9.681 -11.345 1.00 0.00 C ATOM 426 CD GLU A 32 -2.528 8.227 -11.656 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.857 7.342 -11.082 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.464 8.032 -12.461 1.00 0.00 O ATOM 0 H GLU A 32 -0.954 10.665 -8.879 1.00 0.00 H new ATOM 0 HA GLU A 32 0.739 11.457 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.180 9.646 -12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.261 9.142 -10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.654 9.988 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.551 10.330 -12.134 1.00 0.00 H new ATOM 435 N GLY A 33 -2.282 12.656 -10.888 1.00 0.00 N ATOM 436 CA GLY A 33 -3.194 13.625 -11.470 1.00 0.00 C ATOM 437 C GLY A 33 -2.520 14.990 -11.622 1.00 0.00 C ATOM 438 O GLY A 33 -2.541 15.580 -12.701 1.00 0.00 O ATOM 0 H GLY A 33 -2.577 12.281 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.532 13.272 -12.444 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.079 13.720 -10.841 1.00 0.00 H new ATOM 442 N ILE A 34 -1.938 15.452 -10.525 1.00 0.00 N ATOM 443 CA ILE A 34 -1.258 16.737 -10.523 1.00 0.00 C ATOM 444 C ILE A 34 -0.014 16.652 -11.408 1.00 0.00 C ATOM 445 O ILE A 34 0.370 17.634 -12.042 1.00 0.00 O ATOM 446 CB ILE A 34 -0.964 17.185 -9.089 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.269 16.470 -8.534 1.00 0.00 C ATOM 448 CG2 ILE A 34 -2.189 16.994 -8.193 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.477 17.409 -8.497 1.00 0.00 C ATOM 0 H ILE A 34 -1.923 14.960 -9.632 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.900 17.509 -10.948 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.739 18.251 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.059 16.102 -7.530 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.498 15.601 -9.151 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.953 17.320 -7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.019 17.585 -8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.469 15.941 -8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.340 16.876 -8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.699 17.756 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.253 18.265 -7.860 1.00 0.00 H new ATOM 461 N ALA A 35 0.583 15.469 -11.423 1.00 0.00 N ATOM 462 CA ALA A 35 1.777 15.243 -12.221 1.00 0.00 C ATOM 463 C ALA A 35 1.453 15.488 -13.696 1.00 0.00 C ATOM 464 O ALA A 35 2.356 15.670 -14.511 1.00 0.00 O ATOM 465 CB ALA A 35 2.302 13.829 -11.965 1.00 0.00 C ATOM 0 H ALA A 35 0.262 14.657 -10.896 1.00 0.00 H new ATOM 0 HA ALA A 35 2.566 15.939 -11.937 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.197 13.659 -12.563 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.545 13.717 -10.908 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.538 13.102 -12.241 1.00 0.00 H new ATOM 471 N ARG A 36 0.162 15.483 -13.994 1.00 0.00 N ATOM 472 CA ARG A 36 -0.292 15.701 -15.357 1.00 0.00 C ATOM 473 C ARG A 36 0.172 17.071 -15.858 1.00 0.00 C ATOM 474 O ARG A 36 0.600 17.204 -17.003 1.00 0.00 O ATOM 475 CB ARG A 36 -1.817 15.622 -15.449 1.00 0.00 C ATOM 476 CG ARG A 36 -2.320 14.237 -15.036 1.00 0.00 C ATOM 477 CD ARG A 36 -1.913 13.178 -16.062 1.00 0.00 C ATOM 478 NE ARG A 36 -2.328 13.601 -17.418 1.00 0.00 N ATOM 479 CZ ARG A 36 -3.577 13.491 -17.890 1.00 0.00 C ATOM 480 NH1 ARG A 36 -4.542 12.972 -17.118 1.00 0.00 N ATOM 481 NH2 ARG A 36 -3.862 13.902 -19.133 1.00 0.00 N ATOM 0 H ARG A 36 -0.584 15.331 -13.315 1.00 0.00 H new ATOM 0 HA ARG A 36 0.139 14.917 -15.980 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.263 16.381 -14.807 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.135 15.839 -16.469 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.915 13.976 -14.058 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.405 14.255 -14.937 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.834 13.028 -16.033 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.374 12.222 -15.813 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.619 14.001 -18.032 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.325 12.661 -16.171 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.493 12.888 -17.477 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.128 14.299 -19.720 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.813 13.818 -19.492 1.00 0.00 H new ATOM 495 N GLN A 37 0.070 18.054 -14.975 1.00 0.00 N ATOM 496 CA GLN A 37 0.473 19.408 -15.313 1.00 0.00 C ATOM 497 C GLN A 37 1.898 19.413 -15.872 1.00 0.00 C ATOM 498 O GLN A 37 2.613 18.418 -15.769 1.00 0.00 O ATOM 499 CB GLN A 37 0.357 20.334 -14.100 1.00 0.00 C ATOM 500 CG GLN A 37 -0.854 21.259 -14.231 1.00 0.00 C ATOM 501 CD GLN A 37 -0.521 22.671 -13.744 1.00 0.00 C ATOM 502 OE1 GLN A 37 0.371 22.883 -12.939 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.284 23.621 -14.276 1.00 0.00 N ATOM 0 H GLN A 37 -0.286 17.939 -14.026 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.200 19.785 -16.082 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.268 19.739 -13.191 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.265 20.929 -14.004 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.177 21.296 -15.271 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.687 20.858 -13.653 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.014 23.374 -14.945 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.140 24.597 -14.015 1.00 0.00 H new ATOM 512 N PRO A 38 2.277 20.576 -16.468 1.00 0.00 N ATOM 513 CA PRO A 38 3.602 20.724 -17.044 1.00 0.00 C ATOM 514 C PRO A 38 4.658 20.899 -15.951 1.00 0.00 C ATOM 515 O PRO A 38 5.566 20.079 -15.822 1.00 0.00 O ATOM 516 CB PRO A 38 3.498 21.927 -17.967 1.00 0.00 C ATOM 517 CG PRO A 38 2.257 22.686 -17.525 1.00 0.00 C ATOM 518 CD PRO A 38 1.456 21.775 -16.608 1.00 0.00 C ATOM 0 HA PRO A 38 3.921 19.841 -17.597 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.386 22.554 -17.893 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.415 21.615 -19.008 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.535 23.603 -17.005 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.660 22.978 -18.389 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.275 22.246 -15.642 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.481 21.540 -17.036 1.00 0.00 H new ATOM 526 N GLU A 39 4.505 21.974 -15.191 1.00 0.00 N ATOM 527 CA GLU A 39 5.434 22.267 -14.113 1.00 0.00 C ATOM 528 C GLU A 39 5.653 21.025 -13.248 1.00 0.00 C ATOM 529 O GLU A 39 6.721 20.851 -12.662 1.00 0.00 O ATOM 530 CB GLU A 39 4.940 23.444 -13.268 1.00 0.00 C ATOM 531 CG GLU A 39 6.027 23.921 -12.303 1.00 0.00 C ATOM 532 CD GLU A 39 5.457 24.900 -11.276 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.556 25.672 -11.667 1.00 0.00 O ATOM 534 OE2 GLU A 39 5.936 24.854 -10.122 1.00 0.00 O ATOM 0 H GLU A 39 3.751 22.653 -15.301 1.00 0.00 H new ATOM 0 HA GLU A 39 6.390 22.553 -14.552 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.642 24.265 -13.920 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.055 23.146 -12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.464 23.064 -11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.830 24.402 -12.862 1.00 0.00 H new ATOM 541 N LEU A 40 4.624 20.192 -13.194 1.00 0.00 N ATOM 542 CA LEU A 40 4.690 18.970 -12.410 1.00 0.00 C ATOM 543 C LEU A 40 5.135 17.815 -13.310 1.00 0.00 C ATOM 544 O LEU A 40 4.735 16.671 -13.101 1.00 0.00 O ATOM 545 CB LEU A 40 3.360 18.717 -11.698 1.00 0.00 C ATOM 546 CG LEU A 40 2.970 19.735 -10.624 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.170 20.594 -10.221 1.00 0.00 C ATOM 548 CD2 LEU A 40 1.783 20.586 -11.080 1.00 0.00 C ATOM 0 H LEU A 40 3.740 20.339 -13.680 1.00 0.00 H new ATOM 0 HA LEU A 40 5.435 19.065 -11.620 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.569 18.688 -12.447 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.399 17.730 -11.238 1.00 0.00 H new ATOM 0 HG LEU A 40 2.652 19.189 -9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.865 21.309 -9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.959 19.954 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.542 21.132 -11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.526 21.301 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.049 21.123 -11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.927 19.941 -11.277 1.00 0.00 H new ATOM 560 N ARG A 41 5.957 18.155 -14.291 1.00 0.00 N ATOM 561 CA ARG A 41 6.461 17.161 -15.224 1.00 0.00 C ATOM 562 C ARG A 41 7.268 16.096 -14.479 1.00 0.00 C ATOM 563 O ARG A 41 7.146 14.906 -14.765 1.00 0.00 O ATOM 564 CB ARG A 41 7.344 17.806 -16.293 1.00 0.00 C ATOM 565 CG ARG A 41 8.284 16.776 -16.922 1.00 0.00 C ATOM 566 CD ARG A 41 9.647 16.779 -16.226 1.00 0.00 C ATOM 567 NE ARG A 41 10.725 16.598 -17.223 1.00 0.00 N ATOM 568 CZ ARG A 41 10.888 15.492 -17.962 1.00 0.00 C ATOM 569 NH1 ARG A 41 10.042 14.462 -17.821 1.00 0.00 N ATOM 570 NH2 ARG A 41 11.895 15.417 -18.842 1.00 0.00 N ATOM 0 H ARG A 41 6.287 19.105 -14.461 1.00 0.00 H new ATOM 0 HA ARG A 41 5.603 16.697 -15.711 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.718 18.252 -17.066 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.927 18.613 -15.850 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.839 15.783 -16.854 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.413 16.995 -17.982 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.789 17.718 -15.691 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.688 15.981 -15.485 1.00 0.00 H new ATOM 0 HE ARG A 41 11.386 17.363 -17.356 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.275 14.520 -17.152 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.166 13.620 -18.383 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.538 16.202 -18.950 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.019 14.575 -19.404 1.00 0.00 H new ATOM 584 N PRO A 42 8.098 16.575 -13.513 1.00 0.00 N ATOM 585 CA PRO A 42 8.926 15.677 -12.726 1.00 0.00 C ATOM 586 C PRO A 42 8.089 14.931 -11.685 1.00 0.00 C ATOM 587 O PRO A 42 8.487 13.869 -11.209 1.00 0.00 O ATOM 588 CB PRO A 42 9.990 16.567 -12.105 1.00 0.00 C ATOM 589 CG PRO A 42 9.449 17.985 -12.189 1.00 0.00 C ATOM 590 CD PRO A 42 8.269 17.977 -13.147 1.00 0.00 C ATOM 0 HA PRO A 42 9.384 14.891 -13.327 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.182 16.283 -11.070 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.935 16.477 -12.640 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.139 18.334 -11.204 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.222 18.668 -12.541 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.372 18.375 -12.673 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.467 18.594 -14.024 1.00 0.00 H new ATOM 598 N VAL A 43 6.944 15.516 -11.363 1.00 0.00 N ATOM 599 CA VAL A 43 6.048 14.919 -10.387 1.00 0.00 C ATOM 600 C VAL A 43 5.637 13.525 -10.864 1.00 0.00 C ATOM 601 O VAL A 43 5.335 12.651 -10.053 1.00 0.00 O ATOM 602 CB VAL A 43 4.853 15.843 -10.141 1.00 0.00 C ATOM 603 CG1 VAL A 43 3.871 15.217 -9.149 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.315 17.220 -9.660 1.00 0.00 C ATOM 0 H VAL A 43 6.617 16.396 -11.760 1.00 0.00 H new ATOM 0 HA VAL A 43 6.552 14.799 -9.428 1.00 0.00 H new ATOM 0 HB VAL A 43 4.332 15.977 -11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.031 15.894 -8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.505 14.271 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.376 15.039 -8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.447 17.857 -9.493 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.871 17.112 -8.729 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.957 17.673 -10.416 1.00 0.00 H new ATOM 614 N LEU A 44 5.638 13.360 -12.179 1.00 0.00 N ATOM 615 CA LEU A 44 5.269 12.087 -12.774 1.00 0.00 C ATOM 616 C LEU A 44 6.122 10.975 -12.159 1.00 0.00 C ATOM 617 O LEU A 44 5.594 9.961 -11.706 1.00 0.00 O ATOM 618 CB LEU A 44 5.362 12.161 -14.299 1.00 0.00 C ATOM 619 CG LEU A 44 4.036 12.074 -15.057 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.074 12.924 -16.328 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.667 10.619 -15.352 1.00 0.00 C ATOM 0 H LEU A 44 5.889 14.087 -12.849 1.00 0.00 H new ATOM 0 HA LEU A 44 4.228 11.851 -12.553 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.851 13.097 -14.568 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.008 11.354 -14.643 1.00 0.00 H new ATOM 0 HG LEU A 44 3.252 12.482 -14.420 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.119 12.844 -16.848 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.257 13.965 -16.064 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.872 12.569 -16.979 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.720 10.586 -15.891 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.447 10.162 -15.960 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.570 10.071 -14.415 1.00 0.00 H new ATOM 633 N GLN A 45 7.427 11.204 -12.163 1.00 0.00 N ATOM 634 CA GLN A 45 8.359 10.234 -11.611 1.00 0.00 C ATOM 635 C GLN A 45 8.004 9.927 -10.155 1.00 0.00 C ATOM 636 O GLN A 45 8.281 8.835 -9.662 1.00 0.00 O ATOM 637 CB GLN A 45 9.801 10.730 -11.731 1.00 0.00 C ATOM 638 CG GLN A 45 10.748 9.869 -10.894 1.00 0.00 C ATOM 639 CD GLN A 45 12.207 10.127 -11.276 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.943 10.815 -10.588 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.582 9.539 -12.408 1.00 0.00 N ATOM 0 H GLN A 45 7.861 12.047 -12.539 1.00 0.00 H new ATOM 0 HA GLN A 45 8.278 9.312 -12.187 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.111 10.708 -12.776 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.861 11.768 -11.403 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.602 10.085 -9.836 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.511 8.815 -11.040 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.915 8.976 -12.936 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.537 9.651 -12.749 1.00 0.00 H new ATOM 650 N THR A 46 7.396 10.910 -9.507 1.00 0.00 N ATOM 651 CA THR A 46 7.000 10.758 -8.117 1.00 0.00 C ATOM 652 C THR A 46 5.908 9.695 -7.987 1.00 0.00 C ATOM 653 O THR A 46 5.990 8.817 -7.129 1.00 0.00 O ATOM 654 CB THR A 46 6.578 12.132 -7.593 1.00 0.00 C ATOM 655 OG1 THR A 46 7.310 12.281 -6.380 1.00 0.00 O ATOM 656 CG2 THR A 46 5.113 12.164 -7.150 1.00 0.00 C ATOM 0 H THR A 46 7.168 11.815 -9.919 1.00 0.00 H new ATOM 0 HA THR A 46 7.829 10.402 -7.506 1.00 0.00 H new ATOM 0 HB THR A 46 6.740 12.882 -8.368 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.097 13.147 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.864 13.161 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.472 11.915 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.958 11.438 -6.352 1.00 0.00 H new ATOM 664 N THR A 47 4.910 9.809 -8.851 1.00 0.00 N ATOM 665 CA THR A 47 3.802 8.869 -8.843 1.00 0.00 C ATOM 666 C THR A 47 4.279 7.479 -9.269 1.00 0.00 C ATOM 667 O THR A 47 3.725 6.470 -8.837 1.00 0.00 O ATOM 668 CB THR A 47 2.697 9.433 -9.739 1.00 0.00 C ATOM 669 OG1 THR A 47 1.648 8.473 -9.642 1.00 0.00 O ATOM 670 CG2 THR A 47 3.080 9.419 -11.220 1.00 0.00 C ATOM 0 H THR A 47 4.846 10.538 -9.561 1.00 0.00 H new ATOM 0 HA THR A 47 3.395 8.745 -7.839 1.00 0.00 H new ATOM 0 HB THR A 47 2.467 10.454 -9.434 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.485 8.077 -10.523 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.262 9.829 -11.811 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.975 10.023 -11.370 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.277 8.394 -11.535 1.00 0.00 H new ATOM 678 N MET A 48 5.302 7.472 -10.110 1.00 0.00 N ATOM 679 CA MET A 48 5.861 6.223 -10.599 1.00 0.00 C ATOM 680 C MET A 48 6.461 5.405 -9.453 1.00 0.00 C ATOM 681 O MET A 48 6.199 4.209 -9.336 1.00 0.00 O ATOM 682 CB MET A 48 6.944 6.519 -11.637 1.00 0.00 C ATOM 683 CG MET A 48 6.620 5.850 -12.974 1.00 0.00 C ATOM 684 SD MET A 48 7.945 6.134 -14.136 1.00 0.00 S ATOM 685 CE MET A 48 7.049 5.980 -15.672 1.00 0.00 C ATOM 0 H MET A 48 5.759 8.312 -10.466 1.00 0.00 H new ATOM 0 HA MET A 48 5.059 5.642 -11.054 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.033 7.596 -11.778 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.908 6.164 -11.273 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.476 4.779 -12.829 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.686 6.246 -13.371 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.732 6.130 -16.508 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.608 4.985 -15.738 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.259 6.730 -15.709 1.00 0.00 H new ATOM 695 N PHE A 49 7.255 6.083 -8.637 1.00 0.00 N ATOM 696 CA PHE A 49 7.894 5.435 -7.505 1.00 0.00 C ATOM 697 C PHE A 49 6.865 5.048 -6.441 1.00 0.00 C ATOM 698 O PHE A 49 7.024 4.039 -5.756 1.00 0.00 O ATOM 699 CB PHE A 49 8.874 6.445 -6.906 1.00 0.00 C ATOM 700 CG PHE A 49 10.341 6.022 -7.004 1.00 0.00 C ATOM 701 CD1 PHE A 49 11.023 6.198 -8.167 1.00 0.00 C ATOM 702 CD2 PHE A 49 10.964 5.471 -5.928 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.385 5.806 -8.258 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.325 5.079 -6.019 1.00 0.00 C ATOM 705 CZ PHE A 49 13.007 5.254 -7.182 1.00 0.00 C ATOM 0 H PHE A 49 7.470 7.075 -8.738 1.00 0.00 H new ATOM 0 HA PHE A 49 8.397 4.525 -7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.748 7.402 -7.412 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.621 6.603 -5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.529 6.636 -9.022 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.423 5.332 -5.004 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.927 5.946 -9.182 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.819 4.642 -5.164 1.00 0.00 H new ATOM 0 HZ PHE A 49 14.042 4.955 -7.251 1.00 0.00 H new ATOM 715 N ILE A 50 5.832 5.872 -6.336 1.00 0.00 N ATOM 716 CA ILE A 50 4.777 5.629 -5.367 1.00 0.00 C ATOM 717 C ILE A 50 3.930 4.441 -5.829 1.00 0.00 C ATOM 718 O ILE A 50 3.436 3.670 -5.008 1.00 0.00 O ATOM 719 CB ILE A 50 3.967 6.904 -5.126 1.00 0.00 C ATOM 720 CG1 ILE A 50 3.990 7.297 -3.648 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.539 6.756 -5.657 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.356 7.862 -3.253 1.00 0.00 C ATOM 0 H ILE A 50 5.704 6.708 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 50 5.202 5.361 -4.400 1.00 0.00 H new ATOM 0 HB ILE A 50 4.435 7.716 -5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.215 8.039 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.760 6.427 -3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.985 7.677 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.568 6.558 -6.729 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.046 5.928 -5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.346 8.134 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.125 7.109 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.571 8.746 -3.853 1.00 0.00 H new ATOM 734 N GLY A 51 3.789 4.330 -7.142 1.00 0.00 N ATOM 735 CA GLY A 51 3.011 3.249 -7.722 1.00 0.00 C ATOM 736 C GLY A 51 3.624 1.889 -7.384 1.00 0.00 C ATOM 737 O GLY A 51 2.904 0.929 -7.112 1.00 0.00 O ATOM 0 H GLY A 51 4.201 4.971 -7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.987 3.293 -7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.963 3.371 -8.804 1.00 0.00 H new ATOM 741 N VAL A 52 4.948 1.849 -7.412 1.00 0.00 N ATOM 742 CA VAL A 52 5.667 0.622 -7.112 1.00 0.00 C ATOM 743 C VAL A 52 5.513 0.297 -5.625 1.00 0.00 C ATOM 744 O VAL A 52 5.127 -0.814 -5.266 1.00 0.00 O ATOM 745 CB VAL A 52 7.128 0.752 -7.547 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.881 -0.564 -7.339 1.00 0.00 C ATOM 747 CG2 VAL A 52 7.228 1.216 -9.001 1.00 0.00 C ATOM 0 H VAL A 52 5.542 2.647 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 52 5.248 -0.213 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 52 7.598 1.510 -6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.917 -0.444 -7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.854 -0.836 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.410 -1.350 -7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.277 1.300 -9.285 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.734 0.492 -9.649 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.744 2.187 -9.107 1.00 0.00 H new ATOM 757 N ALA A 53 5.822 1.287 -4.800 1.00 0.00 N ATOM 758 CA ALA A 53 5.722 1.120 -3.360 1.00 0.00 C ATOM 759 C ALA A 53 4.318 0.629 -3.004 1.00 0.00 C ATOM 760 O ALA A 53 4.164 -0.325 -2.243 1.00 0.00 O ATOM 761 CB ALA A 53 6.072 2.438 -2.668 1.00 0.00 C ATOM 0 H ALA A 53 6.142 2.207 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 53 6.431 0.370 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.997 2.313 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.090 2.727 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.379 3.214 -2.992 1.00 0.00 H new ATOM 767 N LEU A 54 3.328 1.303 -3.571 1.00 0.00 N ATOM 768 CA LEU A 54 1.942 0.948 -3.322 1.00 0.00 C ATOM 769 C LEU A 54 1.717 -0.515 -3.712 1.00 0.00 C ATOM 770 O LEU A 54 0.902 -1.205 -3.102 1.00 0.00 O ATOM 771 CB LEU A 54 1.002 1.925 -4.032 1.00 0.00 C ATOM 772 CG LEU A 54 0.326 1.403 -5.301 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.652 0.272 -4.976 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.348 2.540 -6.071 1.00 0.00 C ATOM 0 H LEU A 54 3.459 2.093 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 54 1.712 1.035 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.226 2.227 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.567 2.821 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 54 1.096 0.986 -5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.119 -0.081 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.114 -0.550 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.421 0.640 -4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.821 2.141 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.104 3.009 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.399 3.281 -6.353 1.00 0.00 H new ATOM 786 N VAL A 55 2.454 -0.943 -4.726 1.00 0.00 N ATOM 787 CA VAL A 55 2.345 -2.311 -5.205 1.00 0.00 C ATOM 788 C VAL A 55 3.057 -3.247 -4.227 1.00 0.00 C ATOM 789 O VAL A 55 2.606 -4.367 -3.994 1.00 0.00 O ATOM 790 CB VAL A 55 2.889 -2.411 -6.632 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.370 -3.831 -6.936 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.842 -1.956 -7.650 1.00 0.00 C ATOM 0 H VAL A 55 3.129 -0.367 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 55 1.300 -2.619 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 55 3.746 -1.743 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.752 -3.875 -7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.163 -4.103 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.538 -4.528 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.254 -2.037 -8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.957 -2.587 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.568 -0.920 -7.452 1.00 0.00 H new ATOM 802 N GLU A 56 4.159 -2.754 -3.680 1.00 0.00 N ATOM 803 CA GLU A 56 4.938 -3.532 -2.733 1.00 0.00 C ATOM 804 C GLU A 56 4.245 -3.556 -1.369 1.00 0.00 C ATOM 805 O GLU A 56 4.738 -4.177 -0.428 1.00 0.00 O ATOM 806 CB GLU A 56 6.362 -2.986 -2.615 1.00 0.00 C ATOM 807 CG GLU A 56 7.220 -3.430 -3.801 1.00 0.00 C ATOM 808 CD GLU A 56 8.703 -3.166 -3.535 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.157 -3.539 -2.431 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.350 -2.598 -4.441 1.00 0.00 O ATOM 0 H GLU A 56 4.531 -1.824 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 56 5.006 -4.555 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.335 -1.897 -2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.813 -3.334 -1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.064 -4.492 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.908 -2.898 -4.700 1.00 0.00 H new ATOM 817 N ALA A 57 3.112 -2.872 -1.304 1.00 0.00 N ATOM 818 CA ALA A 57 2.346 -2.807 -0.071 1.00 0.00 C ATOM 819 C ALA A 57 1.410 -4.014 0.007 1.00 0.00 C ATOM 820 O ALA A 57 0.810 -4.272 1.050 1.00 0.00 O ATOM 821 CB ALA A 57 1.590 -1.478 -0.009 1.00 0.00 C ATOM 0 H ALA A 57 2.706 -2.358 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 57 3.008 -2.846 0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.015 -1.429 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.302 -0.653 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.914 -1.404 -0.861 1.00 0.00 H new ATOM 827 N LEU A 58 1.314 -4.722 -1.109 1.00 0.00 N ATOM 828 CA LEU A 58 0.461 -5.896 -1.179 1.00 0.00 C ATOM 829 C LEU A 58 1.125 -7.049 -0.424 1.00 0.00 C ATOM 830 O LEU A 58 0.518 -7.645 0.464 1.00 0.00 O ATOM 831 CB LEU A 58 0.124 -6.227 -2.634 1.00 0.00 C ATOM 832 CG LEU A 58 -1.351 -6.499 -2.936 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.254 -5.517 -2.188 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.614 -6.486 -4.443 1.00 0.00 C ATOM 0 H LEU A 58 1.813 -4.505 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.494 -5.703 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.456 -5.399 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.702 -7.102 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.594 -7.499 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.297 -5.732 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.093 -5.619 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.017 -4.498 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.670 -6.682 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.348 -5.510 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.011 -7.256 -4.924 1.00 0.00 H new ATOM 846 N PRO A 59 2.395 -7.337 -0.816 1.00 0.00 N ATOM 847 CA PRO A 59 3.148 -8.409 -0.186 1.00 0.00 C ATOM 848 C PRO A 59 3.633 -7.994 1.204 1.00 0.00 C ATOM 849 O PRO A 59 3.772 -8.833 2.093 1.00 0.00 O ATOM 850 CB PRO A 59 4.286 -8.708 -1.148 1.00 0.00 C ATOM 851 CG PRO A 59 4.400 -7.490 -2.050 1.00 0.00 C ATOM 852 CD PRO A 59 3.145 -6.653 -1.865 1.00 0.00 C ATOM 0 HA PRO A 59 2.546 -9.301 -0.013 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.217 -8.883 -0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.080 -9.607 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.287 -6.909 -1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.505 -7.795 -3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.390 -5.631 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.569 -6.593 -2.789 1.00 0.00 H new ATOM 860 N ILE A 60 3.879 -6.700 1.348 1.00 0.00 N ATOM 861 CA ILE A 60 4.347 -6.164 2.615 1.00 0.00 C ATOM 862 C ILE A 60 3.276 -6.388 3.685 1.00 0.00 C ATOM 863 O ILE A 60 3.542 -7.009 4.713 1.00 0.00 O ATOM 864 CB ILE A 60 4.761 -4.700 2.457 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.221 -4.587 2.013 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.490 -3.911 3.740 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.585 -3.138 1.687 1.00 0.00 C ATOM 0 H ILE A 60 3.763 -6.007 0.608 1.00 0.00 H new ATOM 0 HA ILE A 60 5.243 -6.691 2.944 1.00 0.00 H new ATOM 0 HB ILE A 60 4.150 -4.256 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.874 -4.961 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.388 -5.213 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.794 -2.874 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.426 -3.950 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.057 -4.347 4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.628 -3.086 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.946 -2.775 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.441 -2.519 2.572 1.00 0.00 H new ATOM 879 N ILE A 61 2.089 -5.870 3.407 1.00 0.00 N ATOM 880 CA ILE A 61 0.977 -6.006 4.332 1.00 0.00 C ATOM 881 C ILE A 61 0.657 -7.490 4.523 1.00 0.00 C ATOM 882 O ILE A 61 0.364 -7.928 5.634 1.00 0.00 O ATOM 883 CB ILE A 61 -0.217 -5.174 3.861 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.187 -3.717 3.630 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.389 -5.296 4.837 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.782 -3.025 2.668 1.00 0.00 C ATOM 0 H ILE A 61 1.873 -5.355 2.554 1.00 0.00 H new ATOM 0 HA ILE A 61 1.245 -5.609 5.311 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.553 -5.571 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.203 -3.185 4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.198 -3.676 3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.225 -4.695 4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.696 -6.339 4.908 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.082 -4.941 5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.472 -1.990 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.777 -3.545 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.788 -3.046 3.087 1.00 0.00 H new ATOM 898 N GLY A 62 0.723 -8.223 3.421 1.00 0.00 N ATOM 899 CA GLY A 62 0.443 -9.649 3.453 1.00 0.00 C ATOM 900 C GLY A 62 1.429 -10.381 4.365 1.00 0.00 C ATOM 901 O GLY A 62 1.075 -11.375 4.997 1.00 0.00 O ATOM 0 H GLY A 62 0.966 -7.856 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.575 -9.815 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.503 -10.058 2.444 1.00 0.00 H new ATOM 905 N VAL A 63 2.647 -9.860 4.406 1.00 0.00 N ATOM 906 CA VAL A 63 3.686 -10.452 5.231 1.00 0.00 C ATOM 907 C VAL A 63 3.332 -10.259 6.707 1.00 0.00 C ATOM 908 O VAL A 63 3.593 -11.134 7.531 1.00 0.00 O ATOM 909 CB VAL A 63 5.048 -9.861 4.860 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.028 -9.964 6.031 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.616 -10.534 3.609 1.00 0.00 C ATOM 0 H VAL A 63 2.937 -9.035 3.881 1.00 0.00 H new ATOM 0 HA VAL A 63 3.752 -11.525 5.051 1.00 0.00 H new ATOM 0 HB VAL A 63 4.904 -8.804 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.988 -9.537 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.631 -9.417 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.164 -11.011 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.584 -10.095 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.737 -11.601 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.932 -10.386 2.774 1.00 0.00 H new ATOM 921 N VAL A 64 2.744 -9.107 6.995 1.00 0.00 N ATOM 922 CA VAL A 64 2.351 -8.788 8.357 1.00 0.00 C ATOM 923 C VAL A 64 1.347 -9.831 8.852 1.00 0.00 C ATOM 924 O VAL A 64 1.530 -10.417 9.917 1.00 0.00 O ATOM 925 CB VAL A 64 1.810 -7.358 8.424 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.856 -7.188 9.608 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.952 -6.342 8.490 1.00 0.00 C ATOM 0 H VAL A 64 2.530 -8.383 6.309 1.00 0.00 H new ATOM 0 HA VAL A 64 3.214 -8.827 9.022 1.00 0.00 H new ATOM 0 HB VAL A 64 1.247 -7.170 7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.486 -6.163 9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.016 -7.875 9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.385 -7.405 10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.540 -5.334 8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.555 -6.529 9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.576 -6.438 7.602 1.00 0.00 H new ATOM 937 N PHE A 65 0.308 -10.030 8.054 1.00 0.00 N ATOM 938 CA PHE A 65 -0.725 -10.992 8.398 1.00 0.00 C ATOM 939 C PHE A 65 -0.117 -12.359 8.720 1.00 0.00 C ATOM 940 O PHE A 65 -0.540 -13.024 9.664 1.00 0.00 O ATOM 941 CB PHE A 65 -1.635 -11.128 7.175 1.00 0.00 C ATOM 942 CG PHE A 65 -1.931 -12.575 6.777 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.677 -13.366 7.595 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.449 -13.071 5.606 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.952 -14.709 7.226 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.725 -14.414 5.237 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.470 -15.205 6.054 1.00 0.00 C ATOM 0 H PHE A 65 0.160 -9.542 7.171 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.272 -10.651 9.277 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.577 -10.618 7.377 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.171 -10.618 6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.060 -12.972 8.525 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.856 -12.443 4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.544 -15.337 7.875 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.343 -14.807 4.307 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.679 -16.227 5.773 1.00 0.00 H new ATOM 957 N SER A 66 0.867 -12.737 7.917 1.00 0.00 N ATOM 958 CA SER A 66 1.538 -14.012 8.105 1.00 0.00 C ATOM 959 C SER A 66 2.332 -13.998 9.412 1.00 0.00 C ATOM 960 O SER A 66 2.448 -15.022 10.084 1.00 0.00 O ATOM 961 CB SER A 66 2.461 -14.328 6.926 1.00 0.00 C ATOM 962 OG SER A 66 1.810 -14.139 5.673 1.00 0.00 O ATOM 0 H SER A 66 1.216 -12.183 7.135 1.00 0.00 H new ATOM 0 HA SER A 66 0.779 -14.793 8.157 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.344 -13.691 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.807 -15.359 7.003 1.00 0.00 H new ATOM 0 HG SER A 66 1.695 -13.180 5.505 1.00 0.00 H new ATOM 968 N PHE A 67 2.859 -12.826 9.735 1.00 0.00 N ATOM 969 CA PHE A 67 3.639 -12.665 10.950 1.00 0.00 C ATOM 970 C PHE A 67 2.746 -12.745 12.190 1.00 0.00 C ATOM 971 O PHE A 67 3.160 -13.264 13.225 1.00 0.00 O ATOM 972 CB PHE A 67 4.283 -11.278 10.888 1.00 0.00 C ATOM 973 CG PHE A 67 5.807 -11.305 10.757 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.581 -11.492 11.860 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.388 -11.141 9.539 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.995 -11.516 11.739 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.802 -11.166 9.417 1.00 0.00 C ATOM 978 CZ PHE A 67 8.576 -11.353 10.520 1.00 0.00 C ATOM 0 H PHE A 67 2.761 -11.979 9.176 1.00 0.00 H new ATOM 0 HA PHE A 67 4.385 -13.457 11.021 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.865 -10.732 10.042 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.016 -10.724 11.788 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.120 -11.622 12.828 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.773 -10.992 8.664 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.610 -11.664 12.615 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.263 -11.037 8.449 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.652 -11.372 10.428 1.00 0.00 H new ATOM 988 N ILE A 68 1.537 -12.224 12.043 1.00 0.00 N ATOM 989 CA ILE A 68 0.582 -12.230 13.138 1.00 0.00 C ATOM 990 C ILE A 68 0.404 -13.662 13.646 1.00 0.00 C ATOM 991 O ILE A 68 0.560 -13.925 14.838 1.00 0.00 O ATOM 992 CB ILE A 68 -0.727 -11.562 12.711 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.713 -10.068 13.042 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.933 -12.274 13.327 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.509 -9.382 12.429 1.00 0.00 C ATOM 0 H ILE A 68 1.197 -11.795 11.182 1.00 0.00 H new ATOM 0 HA ILE A 68 0.957 -11.639 13.974 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.819 -11.652 11.629 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.623 -9.600 12.667 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.707 -9.932 14.123 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.850 -11.779 13.007 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.948 -13.313 12.999 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.861 -12.237 14.414 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.495 -8.321 12.679 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.418 -9.836 12.825 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.487 -9.499 11.346 1.00 0.00 H new ATOM 1007 N TYR A 69 0.080 -14.549 12.718 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.121 -15.948 13.057 1.00 0.00 C ATOM 1009 C TYR A 69 1.075 -16.501 13.834 1.00 0.00 C ATOM 1010 O TYR A 69 0.902 -17.175 14.848 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.237 -16.692 11.725 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.999 -18.016 11.816 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -0.657 -18.945 12.777 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.030 -18.280 10.936 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.375 -20.190 12.863 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -2.748 -19.525 11.022 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.385 -20.419 11.981 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.063 -21.595 12.061 1.00 0.00 O ATOM 0 H TYR A 69 -0.049 -14.327 11.731 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.006 -16.068 13.682 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.736 -16.046 11.002 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.764 -16.887 11.341 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.149 -18.738 13.465 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.298 -17.553 10.184 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.118 -20.925 13.611 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.557 -19.744 10.340 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.757 -21.620 11.370 1.00 0.00 H new ATOM 1028 N LEU A 70 2.261 -16.194 13.330 1.00 0.00 N ATOM 1029 CA LEU A 70 3.485 -16.652 13.964 1.00 0.00 C ATOM 1030 C LEU A 70 3.465 -16.262 15.443 1.00 0.00 C ATOM 1031 O LEU A 70 4.169 -16.858 16.256 1.00 0.00 O ATOM 1032 CB LEU A 70 4.708 -16.131 13.207 1.00 0.00 C ATOM 1033 CG LEU A 70 5.863 -17.120 13.036 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.740 -17.882 11.715 1.00 0.00 C ATOM 1035 CD2 LEU A 70 7.214 -16.414 13.167 1.00 0.00 C ATOM 0 H LEU A 70 2.400 -15.633 12.489 1.00 0.00 H new ATOM 0 HA LEU A 70 3.552 -17.739 13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.386 -15.804 12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.084 -15.250 13.727 1.00 0.00 H new ATOM 0 HG LEU A 70 5.805 -17.855 13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.573 -18.578 11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.801 -18.435 11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.758 -17.176 10.885 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.017 -17.140 13.041 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.298 -15.644 12.400 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.291 -15.955 14.153 1.00 0.00 H new ATOM 1047 N GLY A 71 2.649 -15.263 15.748 1.00 0.00 N ATOM 1048 CA GLY A 71 2.528 -14.786 17.115 1.00 0.00 C ATOM 1049 C GLY A 71 3.040 -13.350 17.242 1.00 0.00 C ATOM 1050 O GLY A 71 3.346 -12.891 18.341 1.00 0.00 O ATOM 0 H GLY A 71 2.065 -14.771 15.071 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.485 -14.833 17.429 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.092 -15.437 17.783 1.00 0.00 H new ATOM 1054 N ARG A 72 3.117 -12.680 16.101 1.00 0.00 N ATOM 1055 CA ARG A 72 3.586 -11.305 16.071 1.00 0.00 C ATOM 1056 C ARG A 72 2.476 -10.376 15.577 1.00 0.00 C ATOM 1057 O ARG A 72 2.068 -9.458 16.288 1.00 0.00 O ATOM 1058 CB ARG A 72 4.806 -11.160 15.159 1.00 0.00 C ATOM 1059 CG ARG A 72 6.105 -11.316 15.952 1.00 0.00 C ATOM 1060 CD ARG A 72 6.590 -12.767 15.928 1.00 0.00 C ATOM 1061 NE ARG A 72 6.681 -13.293 17.308 1.00 0.00 N ATOM 1062 CZ ARG A 72 7.688 -13.025 18.150 1.00 0.00 C ATOM 1063 NH1 ARG A 72 8.697 -12.234 17.757 1.00 0.00 N ATOM 1064 NH2 ARG A 72 7.687 -13.546 19.385 1.00 0.00 N ATOM 0 H ARG A 72 2.862 -13.064 15.191 1.00 0.00 H new ATOM 0 HA ARG A 72 3.870 -11.029 17.087 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.765 -11.910 14.369 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.787 -10.185 14.673 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.872 -10.665 15.532 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.947 -10.999 16.983 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.904 -13.379 15.341 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.564 -12.825 15.443 1.00 0.00 H new ATOM 0 HE ARG A 72 5.929 -13.898 17.639 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.697 -11.837 16.818 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.464 -12.030 18.398 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.919 -14.147 19.684 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.454 -13.341 20.025 1.00 0.00 H new