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 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -13:sc= -0.866 USER MOD Single : A 30 THR OG1 : rot -4:sc= 0.249 USER MOD Single : A 37 GLN : amide:sc= -2.79 K(o=-2.8,f=-11!) USER MOD Single : A 45 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -84:sc= 1.09 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -64:sc= 0.673 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -5.397 -14.223 22.655 1.00 0.00 N ATOM 19 CA SER A 2 -6.243 -15.399 22.539 1.00 0.00 C ATOM 20 C SER A 2 -6.127 -15.990 21.132 1.00 0.00 C ATOM 21 O SER A 2 -5.241 -15.613 20.368 1.00 0.00 O ATOM 22 CB SER A 2 -7.702 -15.061 22.853 1.00 0.00 C ATOM 23 OG SER A 2 -8.194 -15.804 23.965 1.00 0.00 O ATOM 0 HA SER A 2 -5.904 -16.137 23.266 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.790 -13.995 23.062 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.318 -15.267 21.978 1.00 0.00 H new ATOM 0 HG SER A 2 -9.128 -15.559 24.135 1.00 0.00 H new ATOM 29 N LEU A 3 -7.035 -16.908 20.834 1.00 0.00 N ATOM 30 CA LEU A 3 -7.046 -17.556 19.534 1.00 0.00 C ATOM 31 C LEU A 3 -7.963 -16.777 18.588 1.00 0.00 C ATOM 32 O LEU A 3 -7.652 -16.615 17.409 1.00 0.00 O ATOM 33 CB LEU A 3 -7.418 -19.033 19.673 1.00 0.00 C ATOM 34 CG LEU A 3 -6.588 -20.015 18.845 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.225 -21.255 19.665 1.00 0.00 C ATOM 36 CD2 LEU A 3 -7.307 -20.379 17.544 1.00 0.00 C ATOM 0 H LEU A 3 -7.769 -17.218 21.471 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.049 -17.543 19.095 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.332 -19.311 20.723 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.466 -19.151 19.397 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.653 -19.526 18.571 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.635 -21.937 19.052 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.644 -20.957 20.538 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.137 -21.756 19.990 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.696 -21.078 16.974 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.267 -20.841 17.776 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.472 -19.477 16.955 1.00 0.00 H new ATOM 48 N GLY A 4 -9.074 -16.315 19.141 1.00 0.00 N ATOM 49 CA GLY A 4 -10.039 -15.557 18.362 1.00 0.00 C ATOM 50 C GLY A 4 -9.440 -14.231 17.888 1.00 0.00 C ATOM 51 O GLY A 4 -9.512 -13.901 16.705 1.00 0.00 O ATOM 0 H GLY A 4 -9.328 -16.451 20.119 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.359 -16.144 17.501 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.927 -15.365 18.964 1.00 0.00 H new ATOM 55 N VAL A 5 -8.862 -13.507 18.835 1.00 0.00 N ATOM 56 CA VAL A 5 -8.251 -12.225 18.529 1.00 0.00 C ATOM 57 C VAL A 5 -7.104 -12.435 17.538 1.00 0.00 C ATOM 58 O VAL A 5 -6.799 -11.550 16.741 1.00 0.00 O ATOM 59 CB VAL A 5 -7.807 -11.535 19.821 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.584 -12.231 20.421 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.531 -10.049 19.582 1.00 0.00 C ATOM 0 H VAL A 5 -8.804 -13.784 19.815 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.973 -11.561 18.054 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.623 -11.612 20.540 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.289 -11.721 21.338 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.830 -13.269 20.646 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.761 -12.199 19.707 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.217 -9.582 20.516 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.741 -9.941 18.839 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.438 -9.564 19.221 1.00 0.00 H new ATOM 71 N LEU A 6 -6.501 -13.611 17.622 1.00 0.00 N ATOM 72 CA LEU A 6 -5.394 -13.948 16.743 1.00 0.00 C ATOM 73 C LEU A 6 -5.876 -13.923 15.291 1.00 0.00 C ATOM 74 O LEU A 6 -5.280 -13.254 14.447 1.00 0.00 O ATOM 75 CB LEU A 6 -4.766 -15.280 17.159 1.00 0.00 C ATOM 76 CG LEU A 6 -3.467 -15.661 16.446 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.011 -17.064 16.849 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.611 -15.519 14.930 1.00 0.00 C ATOM 0 H LEU A 6 -6.758 -14.343 18.285 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.600 -13.206 16.829 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.573 -15.249 18.231 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.496 -16.072 16.990 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.689 -14.966 16.762 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.086 -17.310 16.328 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.841 -17.096 17.925 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.781 -17.788 16.582 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.673 -15.796 14.448 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.408 -16.174 14.577 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.855 -14.486 14.683 1.00 0.00 H new ATOM 90 N ALA A 7 -6.949 -14.659 15.044 1.00 0.00 N ATOM 91 CA ALA A 7 -7.517 -14.729 13.709 1.00 0.00 C ATOM 92 C ALA A 7 -7.891 -13.320 13.243 1.00 0.00 C ATOM 93 O ALA A 7 -7.842 -13.023 12.051 1.00 0.00 O ATOM 94 CB ALA A 7 -8.717 -15.678 13.713 1.00 0.00 C ATOM 0 H ALA A 7 -7.440 -15.212 15.746 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.788 -15.127 13.003 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.143 -15.730 12.711 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.394 -16.672 14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.471 -15.309 14.409 1.00 0.00 H new ATOM 100 N ALA A 8 -8.256 -12.489 14.209 1.00 0.00 N ATOM 101 CA ALA A 8 -8.637 -11.119 13.914 1.00 0.00 C ATOM 102 C ALA A 8 -7.404 -10.338 13.455 1.00 0.00 C ATOM 103 O ALA A 8 -7.513 -9.416 12.648 1.00 0.00 O ATOM 104 CB ALA A 8 -9.297 -10.496 15.145 1.00 0.00 C ATOM 0 H ALA A 8 -8.296 -12.739 15.197 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.366 -11.090 13.104 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.583 -9.468 14.923 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.184 -11.070 15.412 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.595 -10.506 15.979 1.00 0.00 H new ATOM 110 N ALA A 9 -6.258 -10.737 13.990 1.00 0.00 N ATOM 111 CA ALA A 9 -5.006 -10.086 13.646 1.00 0.00 C ATOM 112 C ALA A 9 -4.620 -10.458 12.212 1.00 0.00 C ATOM 113 O ALA A 9 -3.976 -9.674 11.516 1.00 0.00 O ATOM 114 CB ALA A 9 -3.930 -10.480 14.660 1.00 0.00 C ATOM 0 H ALA A 9 -6.171 -11.502 14.659 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.113 -9.002 13.688 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.990 -9.991 14.402 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.239 -10.168 15.658 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.793 -11.561 14.644 1.00 0.00 H new ATOM 120 N ILE A 10 -5.029 -11.653 11.814 1.00 0.00 N ATOM 121 CA ILE A 10 -4.734 -12.138 10.477 1.00 0.00 C ATOM 122 C ILE A 10 -5.714 -11.510 9.484 1.00 0.00 C ATOM 123 O ILE A 10 -5.300 -10.901 8.498 1.00 0.00 O ATOM 124 CB ILE A 10 -4.728 -13.668 10.451 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.313 -14.214 10.653 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.369 -14.197 9.167 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.295 -15.313 11.717 1.00 0.00 C ATOM 0 H ILE A 10 -5.563 -12.300 12.394 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.732 -11.833 10.174 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.333 -14.026 11.284 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.934 -14.609 9.711 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.646 -13.405 10.950 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.352 -15.287 9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.401 -13.851 9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.812 -13.831 8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.277 -15.683 11.840 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.651 -14.908 12.664 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.944 -16.132 11.405 1.00 0.00 H new ATOM 139 N ALA A 11 -6.995 -11.680 9.778 1.00 0.00 N ATOM 140 CA ALA A 11 -8.037 -11.138 8.923 1.00 0.00 C ATOM 141 C ALA A 11 -7.801 -9.639 8.726 1.00 0.00 C ATOM 142 O ALA A 11 -8.242 -9.063 7.733 1.00 0.00 O ATOM 143 CB ALA A 11 -9.407 -11.437 9.535 1.00 0.00 C ATOM 0 H ALA A 11 -7.335 -12.185 10.596 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.010 -11.608 7.940 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.189 -11.030 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.537 -12.515 9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.473 -10.979 10.522 1.00 0.00 H new ATOM 149 N VAL A 12 -7.105 -9.051 9.688 1.00 0.00 N ATOM 150 CA VAL A 12 -6.805 -7.630 9.633 1.00 0.00 C ATOM 151 C VAL A 12 -5.697 -7.387 8.607 1.00 0.00 C ATOM 152 O VAL A 12 -5.856 -6.573 7.699 1.00 0.00 O ATOM 153 CB VAL A 12 -6.450 -7.116 11.030 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.349 -6.056 10.960 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.689 -6.574 11.746 1.00 0.00 C ATOM 0 H VAL A 12 -6.740 -9.533 10.510 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.679 -7.067 9.307 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.069 -7.957 11.610 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.115 -5.707 11.966 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.456 -6.488 10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.690 -5.216 10.355 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.409 -6.215 12.736 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.113 -5.752 11.169 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.429 -7.368 11.844 1.00 0.00 H new ATOM 165 N GLY A 13 -4.600 -8.108 8.786 1.00 0.00 N ATOM 166 CA GLY A 13 -3.466 -7.980 7.886 1.00 0.00 C ATOM 167 C GLY A 13 -3.896 -8.171 6.430 1.00 0.00 C ATOM 168 O GLY A 13 -3.395 -7.491 5.537 1.00 0.00 O ATOM 0 H GLY A 13 -4.472 -8.782 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.010 -6.998 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.707 -8.718 8.144 1.00 0.00 H new ATOM 172 N LEU A 14 -4.822 -9.100 6.237 1.00 0.00 N ATOM 173 CA LEU A 14 -5.325 -9.389 4.906 1.00 0.00 C ATOM 174 C LEU A 14 -6.233 -8.245 4.449 1.00 0.00 C ATOM 175 O LEU A 14 -6.315 -7.950 3.257 1.00 0.00 O ATOM 176 CB LEU A 14 -6.002 -10.761 4.875 1.00 0.00 C ATOM 177 CG LEU A 14 -7.169 -10.912 3.896 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.665 -11.020 2.456 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.059 -12.094 4.283 1.00 0.00 C ATOM 0 H LEU A 14 -5.236 -9.662 6.981 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.503 -9.449 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.249 -11.510 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.363 -10.988 5.878 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.784 -10.014 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.514 -11.126 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.106 -10.120 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.015 -11.890 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.880 -12.179 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.471 -13.012 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.461 -11.935 5.284 1.00 0.00 H new ATOM 191 N GLY A 15 -6.893 -7.632 5.421 1.00 0.00 N ATOM 192 CA GLY A 15 -7.791 -6.527 5.133 1.00 0.00 C ATOM 193 C GLY A 15 -7.012 -5.284 4.699 1.00 0.00 C ATOM 194 O GLY A 15 -7.301 -4.699 3.656 1.00 0.00 O ATOM 0 H GLY A 15 -6.824 -7.880 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.488 -6.816 4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.385 -6.297 6.017 1.00 0.00 H new ATOM 198 N ALA A 16 -6.037 -4.919 5.519 1.00 0.00 N ATOM 199 CA ALA A 16 -5.214 -3.757 5.232 1.00 0.00 C ATOM 200 C ALA A 16 -4.328 -4.052 4.020 1.00 0.00 C ATOM 201 O ALA A 16 -3.783 -3.135 3.408 1.00 0.00 O ATOM 202 CB ALA A 16 -4.399 -3.389 6.474 1.00 0.00 C ATOM 0 H ALA A 16 -5.799 -5.408 6.382 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.837 -2.897 4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.781 -2.517 6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.075 -3.160 7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.760 -4.227 6.751 1.00 0.00 H new ATOM 208 N LEU A 17 -4.211 -5.335 3.710 1.00 0.00 N ATOM 209 CA LEU A 17 -3.401 -5.762 2.583 1.00 0.00 C ATOM 210 C LEU A 17 -4.056 -5.292 1.282 1.00 0.00 C ATOM 211 O LEU A 17 -3.453 -4.544 0.514 1.00 0.00 O ATOM 212 CB LEU A 17 -3.158 -7.271 2.638 1.00 0.00 C ATOM 213 CG LEU A 17 -2.681 -7.922 1.339 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.417 -8.752 1.573 1.00 0.00 C ATOM 215 CD2 LEU A 17 -3.797 -8.748 0.697 1.00 0.00 C ATOM 0 H LEU A 17 -4.664 -6.093 4.221 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.414 -5.302 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.419 -7.472 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.084 -7.757 2.946 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.421 -7.130 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.099 -9.204 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.624 -8.108 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.626 -9.536 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.431 -9.200 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.111 -9.532 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.645 -8.101 0.472 1.00 0.00 H new ATOM 227 N GLY A 18 -5.282 -5.750 1.075 1.00 0.00 N ATOM 228 CA GLY A 18 -6.025 -5.386 -0.119 1.00 0.00 C ATOM 229 C GLY A 18 -6.564 -3.958 -0.015 1.00 0.00 C ATOM 230 O GLY A 18 -6.444 -3.175 -0.956 1.00 0.00 O ATOM 0 H GLY A 18 -5.779 -6.370 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.380 -5.472 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.852 -6.081 -0.263 1.00 0.00 H new ATOM 234 N ALA A 19 -7.147 -3.662 1.138 1.00 0.00 N ATOM 235 CA ALA A 19 -7.705 -2.342 1.377 1.00 0.00 C ATOM 236 C ALA A 19 -6.590 -1.298 1.291 1.00 0.00 C ATOM 237 O ALA A 19 -6.817 -0.179 0.834 1.00 0.00 O ATOM 238 CB ALA A 19 -8.416 -2.326 2.732 1.00 0.00 C ATOM 0 H ALA A 19 -7.245 -4.314 1.916 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.446 -2.095 0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.835 -1.336 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.218 -3.064 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.703 -2.567 3.520 1.00 0.00 H new ATOM 244 N GLY A 20 -5.410 -1.702 1.737 1.00 0.00 N ATOM 245 CA GLY A 20 -4.259 -0.816 1.716 1.00 0.00 C ATOM 246 C GLY A 20 -3.900 -0.417 0.283 1.00 0.00 C ATOM 247 O GLY A 20 -3.757 0.767 -0.018 1.00 0.00 O ATOM 0 H GLY A 20 -5.226 -2.631 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.472 0.077 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.407 -1.309 2.184 1.00 0.00 H new ATOM 251 N ILE A 21 -3.764 -1.428 -0.562 1.00 0.00 N ATOM 252 CA ILE A 21 -3.424 -1.198 -1.956 1.00 0.00 C ATOM 253 C ILE A 21 -4.417 -0.204 -2.561 1.00 0.00 C ATOM 254 O ILE A 21 -4.093 0.500 -3.516 1.00 0.00 O ATOM 255 CB ILE A 21 -3.343 -2.525 -2.714 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.394 -2.417 -3.909 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.735 -3.005 -3.129 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.944 -2.263 -3.446 1.00 0.00 C ATOM 0 H ILE A 21 -3.883 -2.409 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.434 -0.750 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.930 -3.277 -2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.488 -3.305 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.675 -1.563 -4.525 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.649 -3.950 -3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.351 -3.147 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.199 -2.261 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.290 -2.188 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.849 -1.361 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.658 -3.130 -2.851 1.00 0.00 H new ATOM 270 N GLY A 22 -5.608 -0.178 -1.980 1.00 0.00 N ATOM 271 CA GLY A 22 -6.651 0.718 -2.450 1.00 0.00 C ATOM 272 C GLY A 22 -6.351 2.165 -2.052 1.00 0.00 C ATOM 273 O GLY A 22 -6.680 3.095 -2.786 1.00 0.00 O ATOM 0 H GLY A 22 -5.874 -0.763 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.736 0.645 -3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.611 0.414 -2.034 1.00 0.00 H new ATOM 277 N ASN A 23 -5.729 2.309 -0.891 1.00 0.00 N ATOM 278 CA ASN A 23 -5.381 3.626 -0.386 1.00 0.00 C ATOM 279 C ASN A 23 -4.167 4.156 -1.151 1.00 0.00 C ATOM 280 O ASN A 23 -3.958 5.365 -1.230 1.00 0.00 O ATOM 281 CB ASN A 23 -5.017 3.569 1.098 1.00 0.00 C ATOM 282 CG ASN A 23 -5.732 4.672 1.882 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.754 4.457 2.513 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.140 5.860 1.806 1.00 0.00 N ATOM 0 H ASN A 23 -5.457 1.535 -0.285 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.245 4.277 -0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.288 2.595 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.939 3.675 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.540 6.661 2.294 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.286 5.970 1.260 1.00 0.00 H new ATOM 291 N GLY A 24 -3.398 3.224 -1.696 1.00 0.00 N ATOM 292 CA GLY A 24 -2.210 3.582 -2.452 1.00 0.00 C ATOM 293 C GLY A 24 -2.576 4.037 -3.866 1.00 0.00 C ATOM 294 O GLY A 24 -1.889 4.872 -4.451 1.00 0.00 O ATOM 0 H GLY A 24 -3.575 2.222 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.674 4.379 -1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.536 2.727 -2.504 1.00 0.00 H new ATOM 298 N LEU A 25 -3.658 3.466 -4.375 1.00 0.00 N ATOM 299 CA LEU A 25 -4.124 3.802 -5.709 1.00 0.00 C ATOM 300 C LEU A 25 -4.821 5.164 -5.674 1.00 0.00 C ATOM 301 O LEU A 25 -4.731 5.936 -6.627 1.00 0.00 O ATOM 302 CB LEU A 25 -4.999 2.679 -6.270 1.00 0.00 C ATOM 303 CG LEU A 25 -4.347 1.297 -6.348 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.382 0.190 -6.138 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.582 1.124 -7.661 1.00 0.00 C ATOM 0 H LEU A 25 -4.225 2.773 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.281 3.892 -6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.895 2.602 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.323 2.963 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.620 1.217 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.892 -0.782 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.843 0.304 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.149 0.258 -6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.129 0.133 -7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.269 1.233 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.802 1.882 -7.730 1.00 0.00 H new ATOM 317 N ILE A 26 -5.499 5.418 -4.564 1.00 0.00 N ATOM 318 CA ILE A 26 -6.210 6.673 -4.392 1.00 0.00 C ATOM 319 C ILE A 26 -5.198 7.810 -4.233 1.00 0.00 C ATOM 320 O ILE A 26 -5.341 8.864 -4.849 1.00 0.00 O ATOM 321 CB ILE A 26 -7.206 6.570 -3.235 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.400 5.693 -3.616 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.642 7.958 -2.762 1.00 0.00 C ATOM 324 CD1 ILE A 26 -9.131 6.261 -4.834 1.00 0.00 C ATOM 0 H ILE A 26 -5.571 4.776 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.806 6.898 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.706 6.086 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.058 4.681 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.088 5.624 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.350 7.856 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.770 8.518 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.117 8.490 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.975 5.619 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.493 7.264 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.446 6.306 -5.681 1.00 0.00 H new ATOM 336 N VAL A 27 -4.197 7.556 -3.402 1.00 0.00 N ATOM 337 CA VAL A 27 -3.162 8.545 -3.154 1.00 0.00 C ATOM 338 C VAL A 27 -2.321 8.725 -4.420 1.00 0.00 C ATOM 339 O VAL A 27 -1.953 9.845 -4.771 1.00 0.00 O ATOM 340 CB VAL A 27 -2.330 8.138 -1.936 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.591 6.822 -2.192 1.00 0.00 C ATOM 342 CG2 VAL A 27 -1.353 9.248 -1.544 1.00 0.00 C ATOM 0 H VAL A 27 -4.081 6.680 -2.892 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.606 9.512 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.013 7.982 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.007 6.555 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.314 6.033 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.925 6.939 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.774 8.933 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.679 9.450 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.909 10.153 -1.300 1.00 0.00 H new ATOM 352 N SER A 28 -2.040 7.605 -5.069 1.00 0.00 N ATOM 353 CA SER A 28 -1.250 7.624 -6.288 1.00 0.00 C ATOM 354 C SER A 28 -2.006 8.368 -7.391 1.00 0.00 C ATOM 355 O SER A 28 -1.393 8.972 -8.270 1.00 0.00 O ATOM 356 CB SER A 28 -0.906 6.205 -6.745 1.00 0.00 C ATOM 357 OG SER A 28 -2.054 5.502 -7.214 1.00 0.00 O ATOM 0 H SER A 28 -2.346 6.678 -4.773 1.00 0.00 H new ATOM 0 HA SER A 28 -0.316 8.146 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.160 6.250 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.458 5.656 -5.917 1.00 0.00 H new ATOM 0 HG SER A 28 -2.864 5.988 -6.954 1.00 0.00 H new ATOM 363 N ARG A 29 -3.327 8.300 -7.308 1.00 0.00 N ATOM 364 CA ARG A 29 -4.173 8.959 -8.287 1.00 0.00 C ATOM 365 C ARG A 29 -4.027 10.479 -8.179 1.00 0.00 C ATOM 366 O ARG A 29 -3.895 11.167 -9.189 1.00 0.00 O ATOM 367 CB ARG A 29 -5.642 8.580 -8.090 1.00 0.00 C ATOM 368 CG ARG A 29 -6.242 8.020 -9.382 1.00 0.00 C ATOM 369 CD ARG A 29 -6.880 9.132 -10.217 1.00 0.00 C ATOM 370 NE ARG A 29 -8.321 8.858 -10.408 1.00 0.00 N ATOM 371 CZ ARG A 29 -9.190 9.735 -10.931 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.768 10.947 -11.317 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.480 9.400 -11.066 1.00 0.00 N ATOM 0 H ARG A 29 -3.832 7.798 -6.577 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.854 8.629 -9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.727 7.839 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.208 9.456 -7.772 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.465 7.524 -9.963 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.991 7.265 -9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.747 10.093 -9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.383 9.202 -11.185 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.676 7.945 -10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.786 11.202 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.429 11.614 -11.715 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.801 8.478 -10.771 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.141 10.067 -11.464 1.00 0.00 H new ATOM 387 N THR A 30 -4.055 10.957 -6.943 1.00 0.00 N ATOM 388 CA THR A 30 -3.927 12.382 -6.689 1.00 0.00 C ATOM 389 C THR A 30 -2.515 12.860 -7.033 1.00 0.00 C ATOM 390 O THR A 30 -2.322 14.014 -7.414 1.00 0.00 O ATOM 391 CB THR A 30 -4.318 12.639 -5.233 1.00 0.00 C ATOM 392 OG1 THR A 30 -3.477 11.763 -4.487 1.00 0.00 O ATOM 393 CG2 THR A 30 -5.735 12.158 -4.913 1.00 0.00 C ATOM 0 H THR A 30 -4.164 10.383 -6.107 1.00 0.00 H new ATOM 0 HA THR A 30 -4.596 12.960 -7.327 1.00 0.00 H new ATOM 0 HB THR A 30 -4.240 13.705 -5.020 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.945 11.217 -5.103 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.962 12.364 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.449 12.681 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.805 11.085 -5.095 1.00 0.00 H new ATOM 401 N ILE A 31 -1.564 11.950 -6.886 1.00 0.00 N ATOM 402 CA ILE A 31 -0.176 12.264 -7.176 1.00 0.00 C ATOM 403 C ILE A 31 -0.017 12.515 -8.677 1.00 0.00 C ATOM 404 O ILE A 31 0.746 13.388 -9.087 1.00 0.00 O ATOM 405 CB ILE A 31 0.746 11.170 -6.634 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.876 11.770 -5.795 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.279 10.291 -7.768 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.412 12.038 -4.362 1.00 0.00 C ATOM 0 H ILE A 31 -1.728 10.994 -6.570 1.00 0.00 H new ATOM 0 HA ILE A 31 0.122 13.180 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 31 0.162 10.527 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.727 11.089 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.218 12.700 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.932 9.521 -7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.444 9.819 -8.286 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.842 10.905 -8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.234 12.464 -3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.577 12.738 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.094 11.103 -3.902 1.00 0.00 H new ATOM 420 N GLU A 32 -0.749 11.732 -9.456 1.00 0.00 N ATOM 421 CA GLU A 32 -0.699 11.858 -10.903 1.00 0.00 C ATOM 422 C GLU A 32 -1.418 13.132 -11.350 1.00 0.00 C ATOM 423 O GLU A 32 -1.087 13.705 -12.387 1.00 0.00 O ATOM 424 CB GLU A 32 -1.297 10.624 -11.581 1.00 0.00 C ATOM 425 CG GLU A 32 -0.339 9.434 -11.498 1.00 0.00 C ATOM 426 CD GLU A 32 -0.930 8.205 -12.191 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.771 7.541 -11.549 1.00 0.00 O ATOM 428 OE2 GLU A 32 -0.526 7.956 -13.348 1.00 0.00 O ATOM 0 H GLU A 32 -1.380 11.008 -9.113 1.00 0.00 H new ATOM 0 HA GLU A 32 0.346 11.929 -11.207 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.244 10.367 -11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.515 10.848 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.612 9.695 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.131 9.202 -10.453 1.00 0.00 H new ATOM 435 N GLY A 33 -2.389 13.539 -10.545 1.00 0.00 N ATOM 436 CA GLY A 33 -3.158 14.735 -10.845 1.00 0.00 C ATOM 437 C GLY A 33 -2.256 15.970 -10.890 1.00 0.00 C ATOM 438 O GLY A 33 -2.270 16.718 -11.866 1.00 0.00 O ATOM 0 H GLY A 33 -2.661 13.062 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.665 14.615 -11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.932 14.873 -10.090 1.00 0.00 H new ATOM 442 N ILE A 34 -1.492 16.144 -9.821 1.00 0.00 N ATOM 443 CA ILE A 34 -0.585 17.276 -9.726 1.00 0.00 C ATOM 444 C ILE A 34 0.562 17.088 -10.720 1.00 0.00 C ATOM 445 O ILE A 34 1.024 18.052 -11.330 1.00 0.00 O ATOM 446 CB ILE A 34 -0.122 17.471 -8.281 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.689 16.267 -7.798 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.306 17.770 -7.361 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.181 16.601 -7.733 1.00 0.00 C ATOM 0 H ILE A 34 -1.482 15.521 -9.014 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.096 18.199 -9.999 1.00 0.00 H new ATOM 0 HB ILE A 34 0.538 18.338 -8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.338 15.959 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.530 15.424 -8.470 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.949 17.904 -6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.804 18.681 -7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.010 16.939 -7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.735 15.728 -7.387 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.534 16.885 -8.725 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.339 17.428 -7.041 1.00 0.00 H new ATOM 461 N ALA A 35 0.990 15.842 -10.853 1.00 0.00 N ATOM 462 CA ALA A 35 2.075 15.516 -11.763 1.00 0.00 C ATOM 463 C ALA A 35 1.641 15.822 -13.198 1.00 0.00 C ATOM 464 O ALA A 35 2.441 16.293 -14.005 1.00 0.00 O ATOM 465 CB ALA A 35 2.477 14.051 -11.576 1.00 0.00 C ATOM 0 H ALA A 35 0.605 15.045 -10.346 1.00 0.00 H new ATOM 0 HA ALA A 35 2.953 16.125 -11.546 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.291 13.807 -12.259 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.805 13.892 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.622 13.409 -11.787 1.00 0.00 H new ATOM 471 N ARG A 36 0.375 15.542 -13.472 1.00 0.00 N ATOM 472 CA ARG A 36 -0.175 15.782 -14.795 1.00 0.00 C ATOM 473 C ARG A 36 0.200 17.184 -15.280 1.00 0.00 C ATOM 474 O ARG A 36 0.369 17.406 -16.478 1.00 0.00 O ATOM 475 CB ARG A 36 -1.698 15.641 -14.793 1.00 0.00 C ATOM 476 CG ARG A 36 -2.125 14.292 -15.376 1.00 0.00 C ATOM 477 CD ARG A 36 -3.589 14.326 -15.820 1.00 0.00 C ATOM 478 NE ARG A 36 -3.667 14.447 -17.293 1.00 0.00 N ATOM 479 CZ ARG A 36 -4.756 14.149 -18.015 1.00 0.00 C ATOM 480 NH1 ARG A 36 -5.865 13.708 -17.404 1.00 0.00 N ATOM 481 NH2 ARG A 36 -4.737 14.290 -19.347 1.00 0.00 N ATOM 0 H ARG A 36 -0.285 15.151 -12.800 1.00 0.00 H new ATOM 0 HA ARG A 36 0.246 15.036 -15.469 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.074 15.736 -13.774 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.142 16.449 -15.374 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.489 14.041 -16.225 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.985 13.509 -14.631 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.098 13.419 -15.494 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.101 15.166 -15.350 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.840 14.778 -17.790 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.880 13.599 -16.390 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.694 13.481 -17.953 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.893 14.624 -19.812 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.566 14.063 -19.896 1.00 0.00 H new ATOM 495 N GLN A 37 0.318 18.094 -14.324 1.00 0.00 N ATOM 496 CA GLN A 37 0.670 19.468 -14.638 1.00 0.00 C ATOM 497 C GLN A 37 1.912 19.508 -15.530 1.00 0.00 C ATOM 498 O GLN A 37 2.672 18.542 -15.585 1.00 0.00 O ATOM 499 CB GLN A 37 0.884 20.285 -13.362 1.00 0.00 C ATOM 500 CG GLN A 37 -0.448 20.584 -12.672 1.00 0.00 C ATOM 501 CD GLN A 37 -1.268 21.594 -13.478 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.775 22.257 -14.376 1.00 0.00 O ATOM 503 NE2 GLN A 37 -2.543 21.674 -13.108 1.00 0.00 N ATOM 0 H GLN A 37 0.176 17.906 -13.332 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.159 19.919 -15.184 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.536 19.738 -12.681 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.390 21.220 -13.605 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.016 19.661 -12.554 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.264 20.975 -11.672 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.891 21.090 -12.348 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.173 22.320 -13.585 1.00 0.00 H new ATOM 512 N PRO A 38 2.085 20.664 -16.224 1.00 0.00 N ATOM 513 CA PRO A 38 3.222 20.842 -17.111 1.00 0.00 C ATOM 514 C PRO A 38 4.505 21.089 -16.314 1.00 0.00 C ATOM 515 O PRO A 38 5.550 20.517 -16.621 1.00 0.00 O ATOM 516 CB PRO A 38 2.844 22.012 -18.005 1.00 0.00 C ATOM 517 CG PRO A 38 1.719 22.739 -17.287 1.00 0.00 C ATOM 518 CD PRO A 38 1.205 21.829 -16.184 1.00 0.00 C ATOM 0 HA PRO A 38 3.434 19.954 -17.707 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.696 22.672 -18.165 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.521 21.665 -18.987 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.078 23.680 -16.869 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.917 22.985 -17.984 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.245 22.322 -15.213 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.166 21.547 -16.355 1.00 0.00 H new ATOM 526 N GLU A 39 4.384 21.940 -15.307 1.00 0.00 N ATOM 527 CA GLU A 39 5.521 22.269 -14.464 1.00 0.00 C ATOM 528 C GLU A 39 5.865 21.089 -13.553 1.00 0.00 C ATOM 529 O GLU A 39 6.843 21.140 -12.808 1.00 0.00 O ATOM 530 CB GLU A 39 5.249 23.533 -13.646 1.00 0.00 C ATOM 531 CG GLU A 39 6.420 24.513 -13.746 1.00 0.00 C ATOM 532 CD GLU A 39 6.248 25.675 -12.765 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.335 26.493 -13.008 1.00 0.00 O ATOM 534 OE2 GLU A 39 7.034 25.718 -11.794 1.00 0.00 O ATOM 0 H GLU A 39 3.516 22.412 -15.055 1.00 0.00 H new ATOM 0 HA GLU A 39 6.379 22.469 -15.106 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.337 24.012 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.081 23.266 -12.603 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.354 23.991 -13.537 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.490 24.898 -14.763 1.00 0.00 H new ATOM 541 N LEU A 40 5.041 20.055 -13.641 1.00 0.00 N ATOM 542 CA LEU A 40 5.246 18.864 -12.834 1.00 0.00 C ATOM 543 C LEU A 40 5.539 17.675 -13.751 1.00 0.00 C ATOM 544 O LEU A 40 5.150 16.547 -13.454 1.00 0.00 O ATOM 545 CB LEU A 40 4.057 18.641 -11.898 1.00 0.00 C ATOM 546 CG LEU A 40 3.862 19.688 -10.799 1.00 0.00 C ATOM 547 CD1 LEU A 40 3.159 20.932 -11.346 1.00 0.00 C ATOM 548 CD2 LEU A 40 3.122 19.092 -9.599 1.00 0.00 C ATOM 0 H LEU A 40 4.230 20.017 -14.259 1.00 0.00 H new ATOM 0 HA LEU A 40 6.114 18.987 -12.186 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.149 18.601 -12.500 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.170 17.665 -11.426 1.00 0.00 H new ATOM 0 HG LEU A 40 4.845 20.002 -10.448 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.033 21.660 -10.545 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.761 21.369 -12.143 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.182 20.654 -11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.996 19.857 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.143 18.733 -9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.699 18.261 -9.192 1.00 0.00 H new ATOM 560 N ARG A 41 6.222 17.969 -14.848 1.00 0.00 N ATOM 561 CA ARG A 41 6.571 16.938 -15.810 1.00 0.00 C ATOM 562 C ARG A 41 7.427 15.859 -15.145 1.00 0.00 C ATOM 563 O ARG A 41 7.236 14.669 -15.392 1.00 0.00 O ATOM 564 CB ARG A 41 7.338 17.529 -16.996 1.00 0.00 C ATOM 565 CG ARG A 41 7.155 16.670 -18.249 1.00 0.00 C ATOM 566 CD ARG A 41 8.101 15.467 -18.232 1.00 0.00 C ATOM 567 NE ARG A 41 8.752 15.316 -19.552 1.00 0.00 N ATOM 568 CZ ARG A 41 9.802 16.041 -19.960 1.00 0.00 C ATOM 569 NH1 ARG A 41 10.328 16.972 -19.151 1.00 0.00 N ATOM 570 NH2 ARG A 41 10.328 15.836 -21.175 1.00 0.00 N ATOM 0 H ARG A 41 6.543 18.906 -15.092 1.00 0.00 H new ATOM 0 HA ARG A 41 5.643 16.497 -16.175 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.988 18.543 -17.191 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.398 17.599 -16.750 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.123 16.325 -18.310 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.343 17.272 -19.138 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.857 15.599 -17.458 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.547 14.562 -17.985 1.00 0.00 H new ATOM 0 HE ARG A 41 8.378 14.615 -20.192 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.929 17.128 -18.225 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.127 17.524 -19.461 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.929 15.127 -21.791 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.127 16.389 -21.485 1.00 0.00 H new ATOM 584 N PRO A 42 8.378 16.324 -14.291 1.00 0.00 N ATOM 585 CA PRO A 42 9.265 15.412 -13.589 1.00 0.00 C ATOM 586 C PRO A 42 8.532 14.709 -12.444 1.00 0.00 C ATOM 587 O PRO A 42 8.986 13.677 -11.953 1.00 0.00 O ATOM 588 CB PRO A 42 10.421 16.276 -13.112 1.00 0.00 C ATOM 589 CG PRO A 42 9.918 17.709 -13.160 1.00 0.00 C ATOM 590 CD PRO A 42 8.635 17.726 -13.974 1.00 0.00 C ATOM 0 HA PRO A 42 9.626 14.603 -14.224 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.722 16.002 -12.101 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.295 16.147 -13.751 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.736 18.083 -12.153 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.665 18.361 -13.612 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.812 18.161 -13.407 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.748 18.322 -14.879 1.00 0.00 H new ATOM 598 N VAL A 43 7.411 15.297 -12.051 1.00 0.00 N ATOM 599 CA VAL A 43 6.612 14.741 -10.974 1.00 0.00 C ATOM 600 C VAL A 43 6.054 13.383 -11.407 1.00 0.00 C ATOM 601 O VAL A 43 5.777 12.526 -10.570 1.00 0.00 O ATOM 602 CB VAL A 43 5.521 15.732 -10.565 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.661 15.166 -9.433 1.00 0.00 C ATOM 604 CG2 VAL A 43 6.126 17.082 -10.172 1.00 0.00 C ATOM 0 H VAL A 43 7.038 16.154 -12.460 1.00 0.00 H new ATOM 0 HA VAL A 43 7.227 14.573 -10.090 1.00 0.00 H new ATOM 0 HB VAL A 43 4.874 15.893 -11.428 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.893 15.891 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.187 14.242 -9.763 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.289 14.961 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.329 17.768 -9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.806 16.945 -9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.674 17.495 -11.019 1.00 0.00 H new ATOM 614 N LEU A 44 5.906 13.231 -12.715 1.00 0.00 N ATOM 615 CA LEU A 44 5.386 11.992 -13.269 1.00 0.00 C ATOM 616 C LEU A 44 6.189 10.814 -12.715 1.00 0.00 C ATOM 617 O LEU A 44 5.621 9.779 -12.369 1.00 0.00 O ATOM 618 CB LEU A 44 5.364 12.057 -14.798 1.00 0.00 C ATOM 619 CG LEU A 44 4.090 12.624 -15.427 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.400 13.345 -16.740 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.036 11.530 -15.610 1.00 0.00 C ATOM 0 H LEU A 44 6.137 13.944 -13.407 1.00 0.00 H new ATOM 0 HA LEU A 44 4.350 11.843 -12.964 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.209 12.662 -15.128 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.521 11.051 -15.187 1.00 0.00 H new ATOM 0 HG LEU A 44 3.672 13.364 -14.744 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.477 13.738 -17.166 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.091 14.166 -16.550 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.854 12.645 -17.441 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.140 11.959 -16.059 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.430 10.750 -16.262 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.786 11.100 -14.640 1.00 0.00 H new ATOM 633 N GLN A 45 7.497 11.010 -12.649 1.00 0.00 N ATOM 634 CA GLN A 45 8.384 9.976 -12.142 1.00 0.00 C ATOM 635 C GLN A 45 8.077 9.687 -10.672 1.00 0.00 C ATOM 636 O GLN A 45 8.217 8.553 -10.216 1.00 0.00 O ATOM 637 CB GLN A 45 9.850 10.371 -12.329 1.00 0.00 C ATOM 638 CG GLN A 45 10.781 9.218 -11.950 1.00 0.00 C ATOM 639 CD GLN A 45 12.090 9.287 -12.740 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.772 10.298 -12.773 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.400 8.159 -13.372 1.00 0.00 N ATOM 0 H GLN A 45 7.965 11.869 -12.938 1.00 0.00 H new ATOM 0 HA GLN A 45 8.212 9.065 -12.714 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.024 10.657 -13.366 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.077 11.243 -11.715 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.995 9.255 -10.882 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.285 8.267 -12.144 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.784 7.349 -13.302 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.254 8.103 -13.927 1.00 0.00 H new ATOM 650 N THR A 46 7.664 10.732 -9.970 1.00 0.00 N ATOM 651 CA THR A 46 7.336 10.604 -8.560 1.00 0.00 C ATOM 652 C THR A 46 6.081 9.748 -8.380 1.00 0.00 C ATOM 653 O THR A 46 5.950 9.034 -7.386 1.00 0.00 O ATOM 654 CB THR A 46 7.200 12.012 -7.977 1.00 0.00 C ATOM 655 OG1 THR A 46 8.028 11.990 -6.817 1.00 0.00 O ATOM 656 CG2 THR A 46 5.798 12.286 -7.429 1.00 0.00 C ATOM 0 H THR A 46 7.549 11.671 -10.351 1.00 0.00 H new ATOM 0 HA THR A 46 8.125 10.086 -8.016 1.00 0.00 H new ATOM 0 HB THR A 46 7.440 12.747 -8.745 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.000 12.866 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.756 13.298 -7.027 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.067 12.183 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.571 11.572 -6.637 1.00 0.00 H new ATOM 664 N THR A 47 5.191 9.847 -9.356 1.00 0.00 N ATOM 665 CA THR A 47 3.951 9.090 -9.317 1.00 0.00 C ATOM 666 C THR A 47 4.207 7.628 -9.687 1.00 0.00 C ATOM 667 O THR A 47 3.517 6.732 -9.204 1.00 0.00 O ATOM 668 CB THR A 47 2.945 9.783 -10.238 1.00 0.00 C ATOM 669 OG1 THR A 47 3.279 9.305 -11.539 1.00 0.00 O ATOM 670 CG2 THR A 47 3.175 11.293 -10.326 1.00 0.00 C ATOM 0 H THR A 47 5.304 10.440 -10.179 1.00 0.00 H new ATOM 0 HA THR A 47 3.532 9.069 -8.311 1.00 0.00 H new ATOM 0 HB THR A 47 1.933 9.590 -9.881 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.012 9.841 -11.906 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.434 11.736 -10.992 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.080 11.734 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.175 11.487 -10.715 1.00 0.00 H new ATOM 678 N MET A 48 5.201 7.432 -10.541 1.00 0.00 N ATOM 679 CA MET A 48 5.556 6.094 -10.982 1.00 0.00 C ATOM 680 C MET A 48 6.143 5.275 -9.830 1.00 0.00 C ATOM 681 O MET A 48 5.820 4.099 -9.672 1.00 0.00 O ATOM 682 CB MET A 48 6.579 6.185 -12.117 1.00 0.00 C ATOM 683 CG MET A 48 5.964 5.741 -13.446 1.00 0.00 C ATOM 684 SD MET A 48 7.206 5.755 -14.728 1.00 0.00 S ATOM 685 CE MET A 48 6.196 6.193 -16.133 1.00 0.00 C ATOM 0 H MET A 48 5.772 8.178 -10.939 1.00 0.00 H new ATOM 0 HA MET A 48 4.653 5.596 -11.334 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.941 7.209 -12.204 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.442 5.561 -11.885 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.544 4.740 -13.346 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.143 6.405 -13.716 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.818 6.246 -17.026 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.422 5.438 -16.274 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.730 7.162 -15.958 1.00 0.00 H new ATOM 695 N PHE A 49 6.995 5.930 -9.055 1.00 0.00 N ATOM 696 CA PHE A 49 7.630 5.277 -7.923 1.00 0.00 C ATOM 697 C PHE A 49 6.632 5.063 -6.783 1.00 0.00 C ATOM 698 O PHE A 49 6.726 4.083 -6.047 1.00 0.00 O ATOM 699 CB PHE A 49 8.746 6.205 -7.440 1.00 0.00 C ATOM 700 CG PHE A 49 10.062 5.488 -7.131 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.183 4.748 -5.996 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.111 5.590 -7.991 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.404 4.082 -5.709 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.332 4.924 -7.704 1.00 0.00 C ATOM 705 CZ PHE A 49 12.453 4.185 -6.569 1.00 0.00 C ATOM 0 H PHE A 49 7.260 6.906 -9.189 1.00 0.00 H new ATOM 0 HA PHE A 49 8.013 4.302 -8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.928 6.964 -8.201 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.409 6.726 -6.544 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.350 4.667 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.015 6.178 -8.892 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.500 3.494 -4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.165 5.004 -8.387 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.382 3.680 -6.350 1.00 0.00 H new ATOM 715 N ILE A 50 5.698 5.997 -6.674 1.00 0.00 N ATOM 716 CA ILE A 50 4.684 5.923 -5.636 1.00 0.00 C ATOM 717 C ILE A 50 3.733 4.764 -5.941 1.00 0.00 C ATOM 718 O ILE A 50 3.230 4.112 -5.027 1.00 0.00 O ATOM 719 CB ILE A 50 3.979 7.272 -5.479 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.021 7.746 -4.025 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.550 7.210 -6.021 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.405 8.290 -3.665 1.00 0.00 C ATOM 0 H ILE A 50 5.622 6.809 -7.287 1.00 0.00 H new ATOM 0 HA ILE A 50 5.142 5.714 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 50 4.517 8.010 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.270 8.521 -3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.768 6.919 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.071 8.181 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.573 6.949 -7.079 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.986 6.455 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.407 8.620 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.150 7.506 -3.798 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.645 9.132 -4.314 1.00 0.00 H new ATOM 734 N GLY A 51 3.514 4.543 -7.229 1.00 0.00 N ATOM 735 CA GLY A 51 2.632 3.474 -7.665 1.00 0.00 C ATOM 736 C GLY A 51 3.188 2.106 -7.263 1.00 0.00 C ATOM 737 O GLY A 51 2.490 1.306 -6.642 1.00 0.00 O ATOM 0 H GLY A 51 3.932 5.086 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.644 3.612 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.510 3.517 -8.747 1.00 0.00 H new ATOM 741 N VAL A 52 4.440 1.879 -7.633 1.00 0.00 N ATOM 742 CA VAL A 52 5.097 0.622 -7.319 1.00 0.00 C ATOM 743 C VAL A 52 5.189 0.465 -5.800 1.00 0.00 C ATOM 744 O VAL A 52 4.849 -0.586 -5.259 1.00 0.00 O ATOM 745 CB VAL A 52 6.461 0.558 -8.010 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.121 -0.806 -7.795 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.336 0.877 -9.501 1.00 0.00 C ATOM 0 H VAL A 52 5.017 2.545 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 52 4.515 -0.218 -7.698 1.00 0.00 H new ATOM 0 HB VAL A 52 7.101 1.315 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.089 -0.825 -8.296 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.262 -0.978 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.483 -1.588 -8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.319 0.825 -9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.671 0.154 -9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.928 1.880 -9.626 1.00 0.00 H new ATOM 757 N ALA A 53 5.651 1.526 -5.154 1.00 0.00 N ATOM 758 CA ALA A 53 5.791 1.520 -3.708 1.00 0.00 C ATOM 759 C ALA A 53 4.466 1.094 -3.073 1.00 0.00 C ATOM 760 O ALA A 53 4.455 0.379 -2.072 1.00 0.00 O ATOM 761 CB ALA A 53 6.248 2.900 -3.233 1.00 0.00 C ATOM 0 H ALA A 53 5.933 2.396 -5.606 1.00 0.00 H new ATOM 0 HA ALA A 53 6.550 0.801 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.353 2.895 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.208 3.142 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.509 3.647 -3.523 1.00 0.00 H new ATOM 767 N LEU A 54 3.381 1.551 -3.681 1.00 0.00 N ATOM 768 CA LEU A 54 2.054 1.226 -3.188 1.00 0.00 C ATOM 769 C LEU A 54 1.797 -0.271 -3.374 1.00 0.00 C ATOM 770 O LEU A 54 1.091 -0.887 -2.577 1.00 0.00 O ATOM 771 CB LEU A 54 1.002 2.118 -3.852 1.00 0.00 C ATOM 772 CG LEU A 54 0.108 1.439 -4.891 1.00 0.00 C ATOM 773 CD1 LEU A 54 -1.147 0.856 -4.238 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.234 2.400 -6.032 1.00 0.00 C ATOM 0 H LEU A 54 3.394 2.144 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 54 1.984 1.431 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.366 2.538 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.513 2.953 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 54 0.661 0.606 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.765 0.379 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.858 0.118 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.713 1.655 -3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.870 1.892 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.760 3.267 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.684 2.726 -6.521 1.00 0.00 H new ATOM 786 N VAL A 55 2.384 -0.812 -4.431 1.00 0.00 N ATOM 787 CA VAL A 55 2.228 -2.225 -4.732 1.00 0.00 C ATOM 788 C VAL A 55 3.039 -3.048 -3.729 1.00 0.00 C ATOM 789 O VAL A 55 2.710 -4.202 -3.458 1.00 0.00 O ATOM 790 CB VAL A 55 2.621 -2.497 -6.185 1.00 0.00 C ATOM 791 CG1 VAL A 55 2.908 -3.984 -6.406 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.541 -1.998 -7.148 1.00 0.00 C ATOM 0 H VAL A 55 2.968 -0.297 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 55 1.185 -2.524 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 55 3.537 -1.944 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.185 -4.150 -7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.727 -4.297 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.017 -4.566 -6.170 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.845 -2.204 -8.174 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.602 -2.510 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.406 -0.924 -7.018 1.00 0.00 H new ATOM 802 N GLU A 56 4.083 -2.423 -3.205 1.00 0.00 N ATOM 803 CA GLU A 56 4.943 -3.083 -2.239 1.00 0.00 C ATOM 804 C GLU A 56 4.238 -3.187 -0.885 1.00 0.00 C ATOM 805 O GLU A 56 4.787 -3.747 0.063 1.00 0.00 O ATOM 806 CB GLU A 56 6.281 -2.352 -2.105 1.00 0.00 C ATOM 807 CG GLU A 56 7.130 -2.528 -3.366 1.00 0.00 C ATOM 808 CD GLU A 56 8.548 -1.995 -3.151 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.204 -2.493 -2.210 1.00 0.00 O ATOM 810 OE2 GLU A 56 8.944 -1.103 -3.931 1.00 0.00 O ATOM 0 H GLU A 56 4.353 -1.466 -3.432 1.00 0.00 H new ATOM 0 HA GLU A 56 5.152 -4.091 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.104 -1.291 -1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.824 -2.734 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.171 -3.583 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.663 -2.003 -4.199 1.00 0.00 H new ATOM 817 N ALA A 57 3.033 -2.640 -0.837 1.00 0.00 N ATOM 818 CA ALA A 57 2.247 -2.665 0.385 1.00 0.00 C ATOM 819 C ALA A 57 1.398 -3.937 0.415 1.00 0.00 C ATOM 820 O ALA A 57 0.849 -4.297 1.455 1.00 0.00 O ATOM 821 CB ALA A 57 1.397 -1.395 0.471 1.00 0.00 C ATOM 0 H ALA A 57 2.581 -2.176 -1.625 1.00 0.00 H new ATOM 0 HA ALA A 57 2.898 -2.683 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.807 -1.413 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.048 -0.521 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.729 -1.345 -0.389 1.00 0.00 H new ATOM 827 N LEU A 58 1.318 -4.584 -0.739 1.00 0.00 N ATOM 828 CA LEU A 58 0.546 -5.809 -0.858 1.00 0.00 C ATOM 829 C LEU A 58 1.322 -6.961 -0.217 1.00 0.00 C ATOM 830 O LEU A 58 0.791 -7.678 0.630 1.00 0.00 O ATOM 831 CB LEU A 58 0.164 -6.062 -2.317 1.00 0.00 C ATOM 832 CG LEU A 58 -1.269 -6.540 -2.563 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.282 -5.573 -1.947 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.525 -6.764 -4.055 1.00 0.00 C ATOM 0 H LEU A 58 1.775 -4.283 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.396 -5.719 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.319 -5.140 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.849 -6.804 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.398 -7.502 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.292 -5.936 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.115 -5.507 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.161 -4.586 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.550 -7.103 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.371 -5.830 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.836 -7.519 -4.433 1.00 0.00 H new ATOM 846 N PRO A 59 2.601 -7.107 -0.657 1.00 0.00 N ATOM 847 CA PRO A 59 3.456 -8.160 -0.135 1.00 0.00 C ATOM 848 C PRO A 59 3.943 -7.822 1.275 1.00 0.00 C ATOM 849 O PRO A 59 4.130 -8.714 2.102 1.00 0.00 O ATOM 850 CB PRO A 59 4.589 -8.281 -1.142 1.00 0.00 C ATOM 851 CG PRO A 59 4.578 -6.986 -1.939 1.00 0.00 C ATOM 852 CD PRO A 59 3.264 -6.277 -1.658 1.00 0.00 C ATOM 0 HA PRO A 59 2.934 -9.111 -0.026 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.546 -8.422 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.442 -9.142 -1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.420 -6.356 -1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.680 -7.193 -3.004 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.431 -5.266 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.661 -6.189 -2.562 1.00 0.00 H new ATOM 860 N ILE A 60 4.135 -6.532 1.508 1.00 0.00 N ATOM 861 CA ILE A 60 4.597 -6.065 2.804 1.00 0.00 C ATOM 862 C ILE A 60 3.576 -6.454 3.875 1.00 0.00 C ATOM 863 O ILE A 60 3.921 -7.104 4.860 1.00 0.00 O ATOM 864 CB ILE A 60 4.899 -4.566 2.758 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.266 -4.301 2.124 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.781 -3.940 4.149 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.456 -2.811 1.833 1.00 0.00 C ATOM 0 H ILE A 60 3.979 -5.795 0.820 1.00 0.00 H new ATOM 0 HA ILE A 60 5.538 -6.548 3.069 1.00 0.00 H new ATOM 0 HB ILE A 60 4.152 -4.087 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.054 -4.648 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.358 -4.870 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.001 -2.874 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.768 -4.081 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.490 -4.418 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.436 -2.650 1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.681 -2.473 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.387 -2.247 2.763 1.00 0.00 H new ATOM 879 N ILE A 61 2.338 -6.040 3.645 1.00 0.00 N ATOM 880 CA ILE A 61 1.264 -6.337 4.577 1.00 0.00 C ATOM 881 C ILE A 61 1.113 -7.853 4.708 1.00 0.00 C ATOM 882 O ILE A 61 0.938 -8.371 5.810 1.00 0.00 O ATOM 883 CB ILE A 61 -0.023 -5.624 4.156 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.193 -4.112 4.063 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.179 -5.982 5.093 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.128 -3.430 5.394 1.00 0.00 C ATOM 0 H ILE A 61 2.055 -5.501 2.826 1.00 0.00 H new ATOM 0 HA ILE A 61 1.503 -5.954 5.569 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.296 -5.972 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.226 -3.905 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.438 -3.698 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.082 -5.462 4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.350 -7.058 5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.929 -5.681 6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.034 -2.356 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.169 -3.619 5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.522 -3.829 6.173 1.00 0.00 H new ATOM 898 N GLY A 62 1.186 -8.524 3.568 1.00 0.00 N ATOM 899 CA GLY A 62 1.059 -9.971 3.541 1.00 0.00 C ATOM 900 C GLY A 62 2.028 -10.625 4.529 1.00 0.00 C ATOM 901 O GLY A 62 1.703 -11.639 5.144 1.00 0.00 O ATOM 0 H GLY A 62 1.332 -8.092 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.036 -10.255 3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.257 -10.338 2.534 1.00 0.00 H new ATOM 905 N VAL A 63 3.199 -10.016 4.650 1.00 0.00 N ATOM 906 CA VAL A 63 4.217 -10.526 5.553 1.00 0.00 C ATOM 907 C VAL A 63 3.807 -10.231 6.997 1.00 0.00 C ATOM 908 O VAL A 63 4.125 -10.997 7.906 1.00 0.00 O ATOM 909 CB VAL A 63 5.582 -9.940 5.187 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.621 -10.256 6.265 1.00 0.00 C ATOM 911 CG2 VAL A 63 6.044 -10.439 3.817 1.00 0.00 C ATOM 0 H VAL A 63 3.465 -9.175 4.138 1.00 0.00 H new ATOM 0 HA VAL A 63 4.306 -11.608 5.456 1.00 0.00 H new ATOM 0 HB VAL A 63 5.477 -8.857 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.582 -9.828 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.301 -9.829 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.721 -11.336 6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.017 -10.007 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.124 -11.526 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.321 -10.140 3.058 1.00 0.00 H new ATOM 921 N VAL A 64 3.107 -9.118 7.164 1.00 0.00 N ATOM 922 CA VAL A 64 2.650 -8.712 8.482 1.00 0.00 C ATOM 923 C VAL A 64 1.589 -9.698 8.976 1.00 0.00 C ATOM 924 O VAL A 64 1.732 -10.283 10.048 1.00 0.00 O ATOM 925 CB VAL A 64 2.149 -7.267 8.440 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.229 -6.971 9.626 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.319 -6.282 8.394 1.00 0.00 C ATOM 0 H VAL A 64 2.845 -8.485 6.408 1.00 0.00 H new ATOM 0 HA VAL A 64 3.474 -8.736 9.196 1.00 0.00 H new ATOM 0 HB VAL A 64 1.569 -7.140 7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.887 -5.937 9.572 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.369 -7.640 9.595 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.775 -7.124 10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.935 -5.262 8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.938 -6.411 9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.918 -6.470 7.503 1.00 0.00 H new ATOM 937 N PHE A 65 0.549 -9.852 8.169 1.00 0.00 N ATOM 938 CA PHE A 65 -0.535 -10.757 8.511 1.00 0.00 C ATOM 939 C PHE A 65 0.006 -12.121 8.944 1.00 0.00 C ATOM 940 O PHE A 65 -0.462 -12.695 9.927 1.00 0.00 O ATOM 941 CB PHE A 65 -1.383 -10.935 7.250 1.00 0.00 C ATOM 942 CG PHE A 65 -1.495 -12.385 6.775 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.064 -13.322 7.580 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.027 -12.737 5.548 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.167 -14.668 7.139 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.131 -14.082 5.107 1.00 0.00 C ATOM 947 CZ PHE A 65 -1.699 -15.020 5.912 1.00 0.00 C ATOM 0 H PHE A 65 0.434 -9.365 7.280 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.116 -10.347 9.338 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.384 -10.547 7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.955 -10.333 6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.437 -13.043 8.554 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.576 -11.993 4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.617 -15.412 7.779 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.759 -14.361 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.778 -16.044 5.577 1.00 0.00 H new ATOM 957 N SER A 66 0.983 -12.601 8.190 1.00 0.00 N ATOM 958 CA SER A 66 1.592 -13.887 8.484 1.00 0.00 C ATOM 959 C SER A 66 2.312 -13.830 9.832 1.00 0.00 C ATOM 960 O SER A 66 2.127 -14.705 10.676 1.00 0.00 O ATOM 961 CB SER A 66 2.567 -14.300 7.379 1.00 0.00 C ATOM 962 OG SER A 66 3.885 -13.817 7.622 1.00 0.00 O ATOM 0 H SER A 66 1.368 -12.123 7.376 1.00 0.00 H new ATOM 0 HA SER A 66 0.802 -14.636 8.533 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.588 -15.387 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.212 -13.919 6.421 1.00 0.00 H new ATOM 0 HG SER A 66 3.882 -12.837 7.608 1.00 0.00 H new ATOM 968 N PHE A 67 3.117 -12.790 9.993 1.00 0.00 N ATOM 969 CA PHE A 67 3.866 -12.607 11.225 1.00 0.00 C ATOM 970 C PHE A 67 2.943 -12.683 12.444 1.00 0.00 C ATOM 971 O PHE A 67 3.342 -13.174 13.499 1.00 0.00 O ATOM 972 CB PHE A 67 4.495 -11.214 11.163 1.00 0.00 C ATOM 973 CG PHE A 67 6.018 -11.211 11.312 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.790 -11.870 10.407 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.598 -10.551 12.350 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.204 -11.868 10.546 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.012 -10.549 12.488 1.00 0.00 C ATOM 978 CZ PHE A 67 8.784 -11.208 11.583 1.00 0.00 C ATOM 0 H PHE A 67 3.267 -12.065 9.291 1.00 0.00 H new ATOM 0 HA PHE A 67 4.619 -13.389 11.323 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.232 -10.750 10.212 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.062 -10.596 11.950 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.329 -12.394 9.583 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.984 -10.029 13.069 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.818 -12.391 9.828 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.474 -10.024 13.311 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.859 -11.207 11.688 1.00 0.00 H new ATOM 988 N ILE A 68 1.728 -12.189 12.258 1.00 0.00 N ATOM 989 CA ILE A 68 0.746 -12.195 13.328 1.00 0.00 C ATOM 990 C ILE A 68 0.502 -13.636 13.783 1.00 0.00 C ATOM 991 O ILE A 68 0.608 -13.943 14.969 1.00 0.00 O ATOM 992 CB ILE A 68 -0.526 -11.464 12.893 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.554 -10.037 13.444 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.775 -12.255 13.286 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.622 -9.219 12.906 1.00 0.00 C ATOM 0 H ILE A 68 1.401 -11.782 11.382 1.00 0.00 H new ATOM 0 HA ILE A 68 1.121 -11.646 14.192 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.522 -11.389 11.806 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.493 -9.556 13.169 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.516 -10.063 14.533 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.665 -11.713 12.965 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.753 -13.233 12.805 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.799 -12.383 14.368 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.579 -8.209 13.313 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.559 -9.690 13.203 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.567 -9.175 11.818 1.00 0.00 H new ATOM 1007 N TYR A 69 0.180 -14.481 12.815 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.080 -15.882 13.101 1.00 0.00 C ATOM 1009 C TYR A 69 1.033 -16.482 13.962 1.00 0.00 C ATOM 1010 O TYR A 69 0.760 -17.189 14.931 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.099 -16.593 11.746 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.723 -17.989 11.784 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -1.920 -18.192 12.439 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -0.088 -19.046 11.163 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.507 -19.507 12.475 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -0.675 -20.360 11.199 1.00 0.00 C ATOM 1017 CZ TYR A 69 -1.855 -20.526 11.853 1.00 0.00 C ATOM 1018 OH TYR A 69 -2.410 -21.767 11.887 1.00 0.00 O ATOM 0 H TYR A 69 0.093 -14.223 11.832 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.017 -15.994 13.646 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.650 -15.979 11.033 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.923 -16.673 11.375 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.417 -17.365 12.925 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.849 -18.887 10.650 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.444 -19.680 12.984 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.189 -21.195 10.717 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.836 -22.395 11.401 1.00 0.00 H new ATOM 1028 N LEU A 70 2.264 -16.176 13.579 1.00 0.00 N ATOM 1029 CA LEU A 70 3.419 -16.676 14.304 1.00 0.00 C ATOM 1030 C LEU A 70 3.322 -16.245 15.769 1.00 0.00 C ATOM 1031 O LEU A 70 3.985 -16.817 16.633 1.00 0.00 O ATOM 1032 CB LEU A 70 4.714 -16.236 13.618 1.00 0.00 C ATOM 1033 CG LEU A 70 5.202 -17.125 12.473 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.498 -18.542 12.966 1.00 0.00 C ATOM 1035 CD2 LEU A 70 4.207 -17.118 11.311 1.00 0.00 C ATOM 0 H LEU A 70 2.486 -15.588 12.776 1.00 0.00 H new ATOM 0 HA LEU A 70 3.434 -17.766 14.292 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.573 -15.226 13.233 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.501 -16.183 14.371 1.00 0.00 H new ATOM 0 HG LEU A 70 6.139 -16.714 12.097 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.843 -19.153 12.132 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.271 -18.506 13.734 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.591 -18.979 13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.578 -17.758 10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.242 -17.491 11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.091 -16.101 10.938 1.00 0.00 H new ATOM 1047 N GLY A 71 2.490 -15.241 16.003 1.00 0.00 N ATOM 1048 CA GLY A 71 2.297 -14.727 17.348 1.00 0.00 C ATOM 1049 C GLY A 71 2.866 -13.313 17.482 1.00 0.00 C ATOM 1050 O GLY A 71 3.067 -12.823 18.592 1.00 0.00 O ATOM 0 H GLY A 71 1.942 -14.770 15.284 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.234 -14.719 17.589 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.782 -15.388 18.067 1.00 0.00 H new ATOM 1054 N ARG A 72 3.108 -12.696 16.334 1.00 0.00 N ATOM 1055 CA ARG A 72 3.649 -11.348 16.308 1.00 0.00 C ATOM 1056 C ARG A 72 5.082 -11.341 16.846 1.00 0.00 C ATOM 1057 O ARG A 72 5.611 -10.288 17.199 1.00 0.00 O ATOM 1058 CB ARG A 72 2.793 -10.395 17.145 1.00 0.00 C ATOM 1059 CG ARG A 72 1.906 -9.528 16.250 1.00 0.00 C ATOM 1060 CD ARG A 72 0.669 -9.042 17.010 1.00 0.00 C ATOM 1061 NE ARG A 72 0.760 -7.583 17.244 1.00 0.00 N ATOM 1062 CZ ARG A 72 1.395 -7.028 18.285 1.00 0.00 C ATOM 1063 NH1 ARG A 72 1.999 -7.805 19.194 1.00 0.00 N ATOM 1064 NH2 ARG A 72 1.425 -5.694 18.417 1.00 0.00 N ATOM 0 H ARG A 72 2.939 -13.105 15.415 1.00 0.00 H new ATOM 0 HA ARG A 72 3.644 -11.008 15.272 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.172 -10.968 17.834 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.437 -9.758 17.751 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.475 -8.671 15.888 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.598 -10.099 15.374 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.232 -9.272 16.441 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.587 -9.567 17.962 1.00 0.00 H new ATOM 0 HE ARG A 72 0.311 -6.962 16.571 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.976 -8.820 19.094 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.482 -7.382 19.986 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.965 -5.103 17.725 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.908 -5.271 19.209 1.00 0.00 H new