USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.00326 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 28 SER OG : rot -36:sc= 0.779 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.66) USER MOD Single : A 45 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -100:sc= -1.26 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -68:sc= 1.03 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.167 -17.343 26.775 1.00 0.00 N ATOM 2 CA MET A 1 -5.121 -17.834 25.408 1.00 0.00 C ATOM 3 C MET A 1 -5.531 -16.741 24.419 1.00 0.00 C ATOM 4 O MET A 1 -6.328 -15.865 24.752 1.00 0.00 O ATOM 5 CB MET A 1 -6.061 -19.033 25.264 1.00 0.00 C ATOM 6 CG MET A 1 -5.459 -20.094 24.341 1.00 0.00 C ATOM 7 SD MET A 1 -5.535 -21.697 25.122 1.00 0.00 S ATOM 8 CE MET A 1 -4.774 -22.696 23.853 1.00 0.00 C ATOM 0 H1 MET A 1 -5.205 -18.148 27.432 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.316 -16.777 26.970 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.013 -16.751 26.903 1.00 0.00 H new ATOM 0 HA MET A 1 -4.098 -18.135 25.184 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.255 -19.467 26.245 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.020 -18.702 24.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.001 -20.115 23.395 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.424 -19.842 24.110 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.740 -23.735 24.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.356 -22.623 22.934 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.760 -22.341 23.669 1.00 0.00 H new ATOM 18 N SER A 2 -4.968 -16.828 23.223 1.00 0.00 N ATOM 19 CA SER A 2 -5.265 -15.858 22.184 1.00 0.00 C ATOM 20 C SER A 2 -5.382 -16.560 20.830 1.00 0.00 C ATOM 21 O SER A 2 -4.394 -16.693 20.108 1.00 0.00 O ATOM 22 CB SER A 2 -4.193 -14.768 22.125 1.00 0.00 C ATOM 23 OG SER A 2 -4.188 -13.960 23.299 1.00 0.00 O ATOM 0 H SER A 2 -4.307 -17.556 22.951 1.00 0.00 H new ATOM 0 HA SER A 2 -6.216 -15.382 22.423 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.214 -15.229 21.998 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.364 -14.138 21.252 1.00 0.00 H new ATOM 0 HG SER A 2 -3.489 -13.277 23.223 1.00 0.00 H new ATOM 29 N LEU A 3 -6.597 -16.992 20.526 1.00 0.00 N ATOM 30 CA LEU A 3 -6.855 -17.678 19.271 1.00 0.00 C ATOM 31 C LEU A 3 -7.809 -16.835 18.421 1.00 0.00 C ATOM 32 O LEU A 3 -7.500 -16.506 17.277 1.00 0.00 O ATOM 33 CB LEU A 3 -7.357 -19.100 19.531 1.00 0.00 C ATOM 34 CG LEU A 3 -6.278 -20.169 19.711 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.847 -21.414 20.394 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.610 -20.504 18.375 1.00 0.00 C ATOM 0 H LEU A 3 -7.414 -16.880 21.127 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.933 -17.789 18.701 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.980 -19.086 20.425 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.998 -19.395 18.700 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.506 -19.767 20.366 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.059 -22.158 20.510 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.238 -21.144 21.375 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.650 -21.828 19.785 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.847 -21.266 18.531 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.359 -20.878 17.677 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.148 -19.606 17.964 1.00 0.00 H new ATOM 48 N GLY A 4 -8.948 -16.510 19.014 1.00 0.00 N ATOM 49 CA GLY A 4 -9.949 -15.713 18.325 1.00 0.00 C ATOM 50 C GLY A 4 -9.390 -14.339 17.949 1.00 0.00 C ATOM 51 O GLY A 4 -9.500 -13.914 16.800 1.00 0.00 O ATOM 0 H GLY A 4 -9.200 -16.784 19.964 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.279 -16.234 17.426 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.825 -15.592 18.963 1.00 0.00 H new ATOM 55 N VAL A 5 -8.804 -13.682 18.939 1.00 0.00 N ATOM 56 CA VAL A 5 -8.228 -12.365 18.726 1.00 0.00 C ATOM 57 C VAL A 5 -7.101 -12.466 17.696 1.00 0.00 C ATOM 58 O VAL A 5 -6.856 -11.524 16.945 1.00 0.00 O ATOM 59 CB VAL A 5 -7.767 -11.774 20.060 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.463 -12.424 20.526 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.619 -10.254 19.964 1.00 0.00 C ATOM 0 H VAL A 5 -8.716 -14.037 19.891 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.976 -11.682 18.324 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.533 -11.989 20.805 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.157 -11.986 21.476 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.616 -13.496 20.653 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.685 -12.254 19.781 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.290 -9.859 20.925 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.882 -10.008 19.199 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.579 -9.811 19.699 1.00 0.00 H new ATOM 71 N LEU A 6 -6.447 -13.618 17.693 1.00 0.00 N ATOM 72 CA LEU A 6 -5.352 -13.855 16.767 1.00 0.00 C ATOM 73 C LEU A 6 -5.878 -13.781 15.333 1.00 0.00 C ATOM 74 O LEU A 6 -5.334 -13.053 14.504 1.00 0.00 O ATOM 75 CB LEU A 6 -4.647 -15.172 17.097 1.00 0.00 C ATOM 76 CG LEU A 6 -3.400 -15.490 16.269 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.782 -16.822 16.699 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.712 -15.460 14.772 1.00 0.00 C ATOM 0 H LEU A 6 -6.654 -14.398 18.317 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.592 -13.080 16.868 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.366 -15.157 18.150 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.361 -15.986 16.969 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.658 -14.714 16.458 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.897 -17.024 16.095 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.499 -16.769 17.750 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.508 -17.622 16.558 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.808 -15.689 14.207 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.479 -16.200 14.545 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.071 -14.469 14.495 1.00 0.00 H new ATOM 90 N ALA A 7 -6.931 -14.546 15.083 1.00 0.00 N ATOM 91 CA ALA A 7 -7.537 -14.576 13.762 1.00 0.00 C ATOM 92 C ALA A 7 -7.908 -13.152 13.343 1.00 0.00 C ATOM 93 O ALA A 7 -7.860 -12.817 12.161 1.00 0.00 O ATOM 94 CB ALA A 7 -8.747 -15.513 13.777 1.00 0.00 C ATOM 0 H ALA A 7 -7.380 -15.149 15.772 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.833 -14.963 13.026 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.202 -15.536 12.787 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.426 -16.518 14.052 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.476 -15.154 14.503 1.00 0.00 H new ATOM 100 N ALA A 8 -8.270 -12.353 14.336 1.00 0.00 N ATOM 101 CA ALA A 8 -8.649 -10.973 14.085 1.00 0.00 C ATOM 102 C ALA A 8 -7.429 -10.196 13.587 1.00 0.00 C ATOM 103 O ALA A 8 -7.560 -9.279 12.777 1.00 0.00 O ATOM 104 CB ALA A 8 -9.246 -10.367 15.357 1.00 0.00 C ATOM 0 H ALA A 8 -8.309 -12.635 15.316 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.413 -10.921 13.309 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.530 -9.332 15.168 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.127 -10.937 15.653 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.507 -10.400 16.157 1.00 0.00 H new ATOM 110 N ALA A 9 -6.269 -10.591 14.091 1.00 0.00 N ATOM 111 CA ALA A 9 -5.027 -9.943 13.707 1.00 0.00 C ATOM 112 C ALA A 9 -4.701 -10.293 12.254 1.00 0.00 C ATOM 113 O ALA A 9 -4.092 -9.497 11.541 1.00 0.00 O ATOM 114 CB ALA A 9 -3.914 -10.361 14.670 1.00 0.00 C ATOM 0 H ALA A 9 -6.163 -11.352 14.762 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.125 -8.859 13.771 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.982 -9.875 14.382 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.180 -10.064 15.684 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.786 -11.443 14.631 1.00 0.00 H new ATOM 120 N ILE A 10 -5.123 -11.485 11.857 1.00 0.00 N ATOM 121 CA ILE A 10 -4.885 -11.950 10.501 1.00 0.00 C ATOM 122 C ILE A 10 -5.867 -11.263 9.551 1.00 0.00 C ATOM 123 O ILE A 10 -5.461 -10.685 8.544 1.00 0.00 O ATOM 124 CB ILE A 10 -4.937 -13.478 10.442 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.553 -14.084 10.679 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.554 -13.955 9.125 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.577 -15.065 11.853 1.00 0.00 C ATOM 0 H ILE A 10 -5.628 -12.143 12.451 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.882 -11.676 10.174 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.583 -13.829 11.247 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.218 -14.598 9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.834 -13.290 10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.579 -15.045 9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.569 -13.567 9.037 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.954 -13.593 8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.580 -15.481 12.000 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.889 -14.543 12.757 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.279 -15.871 11.639 1.00 0.00 H new ATOM 139 N ALA A 11 -7.141 -11.350 9.904 1.00 0.00 N ATOM 140 CA ALA A 11 -8.185 -10.744 9.095 1.00 0.00 C ATOM 141 C ALA A 11 -7.881 -9.256 8.909 1.00 0.00 C ATOM 142 O ALA A 11 -8.341 -8.640 7.949 1.00 0.00 O ATOM 143 CB ALA A 11 -9.545 -10.984 9.753 1.00 0.00 C ATOM 0 H ALA A 11 -7.474 -11.831 10.739 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.217 -11.200 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.328 -10.529 9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.726 -12.056 9.835 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.552 -10.538 10.748 1.00 0.00 H new ATOM 149 N VAL A 12 -7.109 -8.721 9.844 1.00 0.00 N ATOM 150 CA VAL A 12 -6.739 -7.317 9.795 1.00 0.00 C ATOM 151 C VAL A 12 -5.629 -7.122 8.761 1.00 0.00 C ATOM 152 O VAL A 12 -5.652 -6.162 7.993 1.00 0.00 O ATOM 153 CB VAL A 12 -6.346 -6.831 11.192 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.227 -5.791 11.116 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.560 -6.278 11.941 1.00 0.00 C ATOM 0 H VAL A 12 -6.730 -9.235 10.639 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.587 -6.709 9.480 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.969 -7.687 11.751 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.967 -5.462 12.122 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.351 -6.233 10.641 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.564 -4.936 10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.254 -5.939 12.931 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.980 -5.440 11.385 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.313 -7.060 12.042 1.00 0.00 H new ATOM 165 N GLY A 13 -4.682 -8.049 8.774 1.00 0.00 N ATOM 166 CA GLY A 13 -3.565 -7.992 7.846 1.00 0.00 C ATOM 167 C GLY A 13 -4.037 -8.208 6.406 1.00 0.00 C ATOM 168 O GLY A 13 -3.494 -7.615 5.476 1.00 0.00 O ATOM 0 H GLY A 13 -4.665 -8.844 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.068 -7.025 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.830 -8.752 8.109 1.00 0.00 H new ATOM 172 N LEU A 14 -5.042 -9.060 6.268 1.00 0.00 N ATOM 173 CA LEU A 14 -5.593 -9.362 4.958 1.00 0.00 C ATOM 174 C LEU A 14 -6.450 -8.186 4.487 1.00 0.00 C ATOM 175 O LEU A 14 -6.432 -7.833 3.308 1.00 0.00 O ATOM 176 CB LEU A 14 -6.341 -10.696 4.986 1.00 0.00 C ATOM 177 CG LEU A 14 -5.547 -11.900 5.496 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.435 -12.834 6.321 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.861 -12.634 4.342 1.00 0.00 C ATOM 0 H LEU A 14 -5.489 -9.551 7.042 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.793 -9.487 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.227 -10.580 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.688 -10.916 3.977 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.762 -11.534 6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.845 -13.681 6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.836 -12.292 7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.257 -13.195 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.304 -13.485 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.613 -12.986 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.177 -11.954 3.834 1.00 0.00 H new ATOM 191 N GLY A 15 -7.181 -7.612 5.431 1.00 0.00 N ATOM 192 CA GLY A 15 -8.044 -6.483 5.126 1.00 0.00 C ATOM 193 C GLY A 15 -7.220 -5.238 4.790 1.00 0.00 C ATOM 194 O GLY A 15 -7.530 -4.523 3.839 1.00 0.00 O ATOM 0 H GLY A 15 -7.194 -7.907 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.692 -6.732 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.692 -6.276 5.977 1.00 0.00 H new ATOM 198 N ALA A 16 -6.186 -5.018 5.589 1.00 0.00 N ATOM 199 CA ALA A 16 -5.315 -3.873 5.388 1.00 0.00 C ATOM 200 C ALA A 16 -4.434 -4.116 4.161 1.00 0.00 C ATOM 201 O ALA A 16 -3.859 -3.179 3.609 1.00 0.00 O ATOM 202 CB ALA A 16 -4.495 -3.626 6.655 1.00 0.00 C ATOM 0 H ALA A 16 -5.932 -5.614 6.377 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.902 -2.974 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.842 -2.767 6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.167 -3.428 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.891 -4.507 6.875 1.00 0.00 H new ATOM 208 N LEU A 17 -4.355 -5.380 3.770 1.00 0.00 N ATOM 209 CA LEU A 17 -3.554 -5.759 2.619 1.00 0.00 C ATOM 210 C LEU A 17 -4.192 -5.192 1.350 1.00 0.00 C ATOM 211 O LEU A 17 -3.564 -4.422 0.625 1.00 0.00 O ATOM 212 CB LEU A 17 -3.352 -7.275 2.582 1.00 0.00 C ATOM 213 CG LEU A 17 -3.019 -7.874 1.215 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.729 -8.695 1.275 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.193 -8.692 0.673 1.00 0.00 C ATOM 0 H LEU A 17 -4.833 -6.155 4.230 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.555 -5.330 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.550 -7.532 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.259 -7.752 2.954 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.848 -7.055 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.515 -9.110 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.904 -8.054 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.848 -9.507 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.929 -9.106 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.420 -9.504 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.067 -8.049 0.569 1.00 0.00 H new ATOM 227 N GLY A 18 -5.433 -5.596 1.119 1.00 0.00 N ATOM 228 CA GLY A 18 -6.163 -5.138 -0.051 1.00 0.00 C ATOM 229 C GLY A 18 -6.669 -3.707 0.144 1.00 0.00 C ATOM 230 O GLY A 18 -6.732 -2.932 -0.809 1.00 0.00 O ATOM 0 H GLY A 18 -5.951 -6.235 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.517 -5.183 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.006 -5.803 -0.242 1.00 0.00 H new ATOM 234 N ALA A 19 -7.016 -3.399 1.385 1.00 0.00 N ATOM 235 CA ALA A 19 -7.513 -2.075 1.717 1.00 0.00 C ATOM 236 C ALA A 19 -6.394 -1.051 1.522 1.00 0.00 C ATOM 237 O ALA A 19 -6.592 -0.026 0.871 1.00 0.00 O ATOM 238 CB ALA A 19 -8.058 -2.078 3.147 1.00 0.00 C ATOM 0 H ALA A 19 -6.963 -4.044 2.173 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.333 -1.796 1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.431 -1.085 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.870 -2.801 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.262 -2.351 3.839 1.00 0.00 H new ATOM 244 N GLY A 20 -5.242 -1.363 2.098 1.00 0.00 N ATOM 245 CA GLY A 20 -4.091 -0.482 1.996 1.00 0.00 C ATOM 246 C GLY A 20 -3.771 -0.166 0.534 1.00 0.00 C ATOM 247 O GLY A 20 -3.605 0.997 0.168 1.00 0.00 O ATOM 0 H GLY A 20 -5.081 -2.214 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.288 0.443 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.227 -0.950 2.468 1.00 0.00 H new ATOM 251 N ILE A 21 -3.694 -1.222 -0.263 1.00 0.00 N ATOM 252 CA ILE A 21 -3.396 -1.071 -1.678 1.00 0.00 C ATOM 253 C ILE A 21 -4.342 -0.034 -2.286 1.00 0.00 C ATOM 254 O ILE A 21 -4.000 0.624 -3.267 1.00 0.00 O ATOM 255 CB ILE A 21 -3.438 -2.429 -2.381 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.327 -2.539 -3.428 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.820 -2.693 -2.982 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.948 -2.409 -2.779 1.00 0.00 C ATOM 0 H ILE A 21 -3.833 -2.185 0.044 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.382 -0.697 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.257 -3.205 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.402 -3.497 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.453 -1.761 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.822 -3.665 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.569 -2.687 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.055 -1.916 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.176 -2.491 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.868 -1.441 -2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.815 -3.203 -2.044 1.00 0.00 H new ATOM 270 N GLY A 22 -5.514 0.079 -1.678 1.00 0.00 N ATOM 271 CA GLY A 22 -6.512 1.025 -2.148 1.00 0.00 C ATOM 272 C GLY A 22 -6.123 2.459 -1.783 1.00 0.00 C ATOM 273 O GLY A 22 -6.400 3.392 -2.536 1.00 0.00 O ATOM 0 H GLY A 22 -5.795 -0.469 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.620 0.938 -3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.481 0.785 -1.710 1.00 0.00 H new ATOM 277 N ASN A 23 -5.486 2.590 -0.629 1.00 0.00 N ATOM 278 CA ASN A 23 -5.055 3.895 -0.156 1.00 0.00 C ATOM 279 C ASN A 23 -3.783 4.307 -0.898 1.00 0.00 C ATOM 280 O ASN A 23 -3.528 5.496 -1.086 1.00 0.00 O ATOM 281 CB ASN A 23 -4.740 3.861 1.341 1.00 0.00 C ATOM 282 CG ASN A 23 -4.283 5.235 1.836 1.00 0.00 C ATOM 283 OD1 ASN A 23 -3.121 5.597 1.755 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.259 5.976 2.352 1.00 0.00 N ATOM 0 H ASN A 23 -5.258 1.814 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.863 4.604 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.624 3.546 1.895 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.962 3.123 1.536 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.056 6.909 2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.211 5.611 2.389 1.00 0.00 H new ATOM 291 N GLY A 24 -3.018 3.303 -1.299 1.00 0.00 N ATOM 292 CA GLY A 24 -1.778 3.546 -2.016 1.00 0.00 C ATOM 293 C GLY A 24 -2.053 3.928 -3.472 1.00 0.00 C ATOM 294 O GLY A 24 -1.354 4.765 -4.040 1.00 0.00 O ATOM 0 H GLY A 24 -3.233 2.319 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.221 4.344 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.153 2.654 -1.982 1.00 0.00 H new ATOM 298 N LEU A 25 -3.072 3.295 -4.034 1.00 0.00 N ATOM 299 CA LEU A 25 -3.448 3.558 -5.413 1.00 0.00 C ATOM 300 C LEU A 25 -4.190 4.894 -5.489 1.00 0.00 C ATOM 301 O LEU A 25 -4.057 5.626 -6.468 1.00 0.00 O ATOM 302 CB LEU A 25 -4.240 2.381 -5.986 1.00 0.00 C ATOM 303 CG LEU A 25 -5.528 2.015 -5.245 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.657 2.986 -5.596 1.00 0.00 C ATOM 305 CD2 LEU A 25 -5.919 0.560 -5.513 1.00 0.00 C ATOM 0 H LEU A 25 -3.649 2.601 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.560 3.650 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.492 2.608 -7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.591 1.505 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.345 2.108 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.561 2.704 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.367 3.998 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.848 2.949 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.837 0.325 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.078 0.417 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.121 -0.100 -5.173 1.00 0.00 H new ATOM 317 N ILE A 26 -4.955 5.169 -4.443 1.00 0.00 N ATOM 318 CA ILE A 26 -5.718 6.404 -4.379 1.00 0.00 C ATOM 319 C ILE A 26 -4.756 7.593 -4.355 1.00 0.00 C ATOM 320 O ILE A 26 -4.979 8.591 -5.038 1.00 0.00 O ATOM 321 CB ILE A 26 -6.688 6.374 -3.196 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.085 5.939 -3.643 1.00 0.00 C ATOM 323 CG2 ILE A 26 -6.711 7.722 -2.471 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.804 7.073 -4.377 1.00 0.00 C ATOM 0 H ILE A 26 -5.063 4.558 -3.633 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.339 6.514 -5.268 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.333 5.631 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.007 5.070 -4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.670 5.634 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.408 7.673 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.713 7.952 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.028 8.502 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.795 6.737 -4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.901 7.932 -3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.229 7.359 -5.258 1.00 0.00 H new ATOM 336 N VAL A 27 -3.705 7.447 -3.561 1.00 0.00 N ATOM 337 CA VAL A 27 -2.707 8.496 -3.439 1.00 0.00 C ATOM 338 C VAL A 27 -1.922 8.602 -4.748 1.00 0.00 C ATOM 339 O VAL A 27 -1.577 9.700 -5.182 1.00 0.00 O ATOM 340 CB VAL A 27 -1.814 8.231 -2.226 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.076 6.899 -2.369 1.00 0.00 C ATOM 342 CG2 VAL A 27 -0.831 9.382 -2.006 1.00 0.00 C ATOM 0 H VAL A 27 -3.523 6.618 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.186 9.460 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.455 8.166 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.448 6.735 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.800 6.089 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.453 6.922 -3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.208 9.168 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.199 9.494 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.384 10.306 -1.837 1.00 0.00 H new ATOM 352 N SER A 28 -1.663 7.446 -5.340 1.00 0.00 N ATOM 353 CA SER A 28 -0.925 7.394 -6.591 1.00 0.00 C ATOM 354 C SER A 28 -1.732 8.067 -7.703 1.00 0.00 C ATOM 355 O SER A 28 -1.161 8.627 -8.638 1.00 0.00 O ATOM 356 CB SER A 28 -0.591 5.951 -6.975 1.00 0.00 C ATOM 357 OG SER A 28 -1.711 5.279 -7.546 1.00 0.00 O ATOM 0 H SER A 28 -1.951 6.537 -4.977 1.00 0.00 H new ATOM 0 HA SER A 28 0.014 7.931 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.236 5.947 -7.686 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.255 5.409 -6.091 1.00 0.00 H new ATOM 0 HG SER A 28 -2.532 5.575 -7.101 1.00 0.00 H new ATOM 363 N ARG A 29 -3.047 7.990 -7.565 1.00 0.00 N ATOM 364 CA ARG A 29 -3.939 8.584 -8.546 1.00 0.00 C ATOM 365 C ARG A 29 -4.023 10.098 -8.339 1.00 0.00 C ATOM 366 O ARG A 29 -4.289 10.843 -9.280 1.00 0.00 O ATOM 367 CB ARG A 29 -5.343 7.984 -8.450 1.00 0.00 C ATOM 368 CG ARG A 29 -6.105 8.160 -9.765 1.00 0.00 C ATOM 369 CD ARG A 29 -6.649 9.584 -9.897 1.00 0.00 C ATOM 370 NE ARG A 29 -8.110 9.548 -10.129 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.683 9.060 -11.238 1.00 0.00 C ATOM 372 NH1 ARG A 29 -7.921 8.564 -12.223 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.017 9.068 -11.363 1.00 0.00 N ATOM 0 H ARG A 29 -3.517 7.525 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.533 8.371 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.274 6.924 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.893 8.463 -7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.445 7.940 -10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.928 7.447 -9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.430 10.151 -8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.154 10.096 -10.722 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.719 9.918 -9.399 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.905 8.558 -12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.357 8.193 -13.067 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.597 9.446 -10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.452 8.696 -12.207 1.00 0.00 H new ATOM 387 N THR A 30 -3.792 10.507 -7.100 1.00 0.00 N ATOM 388 CA THR A 30 -3.839 11.918 -6.757 1.00 0.00 C ATOM 389 C THR A 30 -2.534 12.609 -7.161 1.00 0.00 C ATOM 390 O THR A 30 -2.556 13.673 -7.777 1.00 0.00 O ATOM 391 CB THR A 30 -4.149 12.031 -5.263 1.00 0.00 C ATOM 392 OG1 THR A 30 -5.220 12.969 -5.201 1.00 0.00 O ATOM 393 CG2 THR A 30 -3.019 12.704 -4.480 1.00 0.00 C ATOM 0 H THR A 30 -3.572 9.886 -6.321 1.00 0.00 H new ATOM 0 HA THR A 30 -4.627 12.433 -7.307 1.00 0.00 H new ATOM 0 HB THR A 30 -4.333 11.037 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.486 13.101 -4.267 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.290 12.759 -3.426 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.104 12.122 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.858 13.710 -4.866 1.00 0.00 H new ATOM 401 N ILE A 31 -1.429 11.974 -6.798 1.00 0.00 N ATOM 402 CA ILE A 31 -0.118 12.514 -7.115 1.00 0.00 C ATOM 403 C ILE A 31 0.043 12.591 -8.634 1.00 0.00 C ATOM 404 O ILE A 31 0.564 13.575 -9.158 1.00 0.00 O ATOM 405 CB ILE A 31 0.978 11.703 -6.420 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.367 12.193 -6.832 1.00 0.00 C ATOM 407 CG2 ILE A 31 0.798 10.206 -6.679 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.773 13.429 -6.026 1.00 0.00 C ATOM 0 H ILE A 31 -1.415 11.091 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.021 13.530 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 31 0.888 11.857 -5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.097 11.398 -6.679 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.372 12.430 -7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.589 9.652 -6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.171 9.885 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.847 10.014 -7.751 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.764 13.757 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.054 14.229 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.790 13.182 -4.965 1.00 0.00 H new ATOM 420 N GLU A 32 -0.412 11.540 -9.300 1.00 0.00 N ATOM 421 CA GLU A 32 -0.325 11.476 -10.749 1.00 0.00 C ATOM 422 C GLU A 32 -1.295 12.476 -11.383 1.00 0.00 C ATOM 423 O GLU A 32 -1.045 12.978 -12.478 1.00 0.00 O ATOM 424 CB GLU A 32 -0.593 10.057 -11.252 1.00 0.00 C ATOM 425 CG GLU A 32 -2.094 9.806 -11.412 1.00 0.00 C ATOM 426 CD GLU A 32 -2.381 8.320 -11.637 1.00 0.00 C ATOM 427 OE1 GLU A 32 -1.581 7.505 -11.130 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.394 8.034 -12.312 1.00 0.00 O ATOM 0 H GLU A 32 -0.842 10.725 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 32 0.689 11.745 -11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.091 9.905 -12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.172 9.334 -10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.621 10.151 -10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.475 10.385 -12.253 1.00 0.00 H new ATOM 435 N GLY A 33 -2.380 12.734 -10.669 1.00 0.00 N ATOM 436 CA GLY A 33 -3.388 13.664 -11.148 1.00 0.00 C ATOM 437 C GLY A 33 -2.810 15.073 -11.291 1.00 0.00 C ATOM 438 O GLY A 33 -3.106 15.775 -12.257 1.00 0.00 O ATOM 0 H GLY A 33 -2.583 12.315 -9.762 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.772 13.325 -12.110 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.230 13.681 -10.456 1.00 0.00 H new ATOM 442 N ILE A 34 -1.996 15.446 -10.315 1.00 0.00 N ATOM 443 CA ILE A 34 -1.374 16.759 -10.320 1.00 0.00 C ATOM 444 C ILE A 34 -0.173 16.746 -11.267 1.00 0.00 C ATOM 445 O ILE A 34 0.061 17.712 -11.992 1.00 0.00 O ATOM 446 CB ILE A 34 -1.027 17.193 -8.894 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.381 16.737 -8.509 1.00 0.00 C ATOM 448 CG2 ILE A 34 -2.081 16.702 -7.900 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.434 17.731 -9.002 1.00 0.00 C ATOM 0 H ILE A 34 -1.753 14.862 -9.515 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.070 17.508 -10.697 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.033 18.282 -8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.451 16.636 -7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.577 15.753 -8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.811 17.024 -6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.053 17.118 -8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.132 15.614 -7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.426 17.382 -8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.378 17.812 -10.088 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.249 18.708 -8.555 1.00 0.00 H new ATOM 461 N ALA A 35 0.557 15.641 -11.231 1.00 0.00 N ATOM 462 CA ALA A 35 1.728 15.490 -12.078 1.00 0.00 C ATOM 463 C ALA A 35 1.364 15.862 -13.517 1.00 0.00 C ATOM 464 O ALA A 35 2.229 16.254 -14.298 1.00 0.00 O ATOM 465 CB ALA A 35 2.261 14.060 -11.963 1.00 0.00 C ATOM 0 H ALA A 35 0.360 14.842 -10.629 1.00 0.00 H new ATOM 0 HA ALA A 35 2.523 16.162 -11.755 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.139 13.947 -12.598 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.533 13.855 -10.928 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.490 13.358 -12.281 1.00 0.00 H new ATOM 471 N ARG A 36 0.082 15.727 -13.822 1.00 0.00 N ATOM 472 CA ARG A 36 -0.408 16.044 -15.153 1.00 0.00 C ATOM 473 C ARG A 36 0.130 17.402 -15.607 1.00 0.00 C ATOM 474 O ARG A 36 0.639 17.532 -16.719 1.00 0.00 O ATOM 475 CB ARG A 36 -1.937 16.072 -15.185 1.00 0.00 C ATOM 476 CG ARG A 36 -2.518 14.690 -14.880 1.00 0.00 C ATOM 477 CD ARG A 36 -4.038 14.683 -15.052 1.00 0.00 C ATOM 478 NE ARG A 36 -4.393 14.181 -16.398 1.00 0.00 N ATOM 479 CZ ARG A 36 -4.160 12.930 -16.818 1.00 0.00 C ATOM 480 NH1 ARG A 36 -3.571 12.047 -16.001 1.00 0.00 N ATOM 481 NH2 ARG A 36 -4.517 12.563 -18.057 1.00 0.00 N ATOM 0 H ARG A 36 -0.633 15.402 -13.170 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.056 15.265 -15.830 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.306 16.794 -14.457 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.278 16.405 -16.165 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.070 13.949 -15.543 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.263 14.401 -13.860 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.496 14.054 -14.288 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.432 15.690 -14.915 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.843 14.827 -17.046 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.300 12.327 -15.058 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.394 11.095 -16.321 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.965 13.236 -18.679 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.340 11.611 -18.378 1.00 0.00 H new ATOM 495 N GLN A 37 0.000 18.380 -14.722 1.00 0.00 N ATOM 496 CA GLN A 37 0.466 19.724 -15.018 1.00 0.00 C ATOM 497 C GLN A 37 1.826 19.672 -15.718 1.00 0.00 C ATOM 498 O GLN A 37 2.510 18.651 -15.677 1.00 0.00 O ATOM 499 CB GLN A 37 0.536 20.572 -13.746 1.00 0.00 C ATOM 500 CG GLN A 37 -0.818 21.215 -13.441 1.00 0.00 C ATOM 501 CD GLN A 37 -0.924 22.601 -14.080 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.243 23.540 -13.704 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.815 22.675 -15.065 1.00 0.00 N ATOM 0 H GLN A 37 -0.421 18.268 -13.800 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.249 20.196 -15.691 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.844 19.949 -12.906 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.293 21.348 -13.863 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.620 20.577 -13.813 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.951 21.297 -12.362 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.352 21.849 -15.330 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.961 23.557 -15.556 1.00 0.00 H new ATOM 512 N PRO A 38 2.186 20.815 -16.361 1.00 0.00 N ATOM 513 CA PRO A 38 3.451 20.909 -17.068 1.00 0.00 C ATOM 514 C PRO A 38 4.618 21.051 -16.089 1.00 0.00 C ATOM 515 O PRO A 38 5.520 20.216 -16.067 1.00 0.00 O ATOM 516 CB PRO A 38 3.299 22.109 -17.989 1.00 0.00 C ATOM 517 CG PRO A 38 2.138 22.917 -17.432 1.00 0.00 C ATOM 518 CD PRO A 38 1.400 22.044 -16.430 1.00 0.00 C ATOM 0 HA PRO A 38 3.680 20.010 -17.641 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.213 22.703 -18.011 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.099 21.793 -19.013 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.501 23.826 -16.952 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.468 23.226 -18.235 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.335 22.528 -15.455 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.379 21.844 -16.755 1.00 0.00 H new ATOM 526 N GLU A 39 4.562 22.116 -15.302 1.00 0.00 N ATOM 527 CA GLU A 39 5.603 22.378 -14.323 1.00 0.00 C ATOM 528 C GLU A 39 5.833 21.144 -13.449 1.00 0.00 C ATOM 529 O GLU A 39 6.924 20.952 -12.914 1.00 0.00 O ATOM 530 CB GLU A 39 5.256 23.599 -13.468 1.00 0.00 C ATOM 531 CG GLU A 39 6.490 24.117 -12.726 1.00 0.00 C ATOM 532 CD GLU A 39 6.110 25.216 -11.731 1.00 0.00 C ATOM 533 OE1 GLU A 39 5.125 25.928 -12.022 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.813 25.318 -10.703 1.00 0.00 O ATOM 0 H GLU A 39 3.812 22.807 -15.323 1.00 0.00 H new ATOM 0 HA GLU A 39 6.528 22.599 -14.855 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.850 24.388 -14.102 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.479 23.336 -12.750 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.973 23.295 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.214 24.505 -13.443 1.00 0.00 H new ATOM 541 N LEU A 40 4.787 20.339 -13.331 1.00 0.00 N ATOM 542 CA LEU A 40 4.862 19.128 -12.531 1.00 0.00 C ATOM 543 C LEU A 40 5.186 17.941 -13.440 1.00 0.00 C ATOM 544 O LEU A 40 4.736 16.823 -13.191 1.00 0.00 O ATOM 545 CB LEU A 40 3.581 18.946 -11.715 1.00 0.00 C ATOM 546 CG LEU A 40 3.323 19.992 -10.628 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.637 20.589 -10.120 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.357 21.070 -11.124 1.00 0.00 C ATOM 0 H LEU A 40 3.884 20.501 -13.776 1.00 0.00 H new ATOM 0 HA LEU A 40 5.669 19.201 -11.802 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.734 18.947 -12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.610 17.963 -11.246 1.00 0.00 H new ATOM 0 HG LEU A 40 2.846 19.497 -9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.426 21.329 -9.348 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.259 19.797 -9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.163 21.066 -10.947 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.190 21.801 -10.333 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.784 21.568 -11.994 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.408 20.610 -11.398 1.00 0.00 H new ATOM 560 N ARG A 41 5.964 18.223 -14.475 1.00 0.00 N ATOM 561 CA ARG A 41 6.354 17.192 -15.422 1.00 0.00 C ATOM 562 C ARG A 41 7.159 16.100 -14.716 1.00 0.00 C ATOM 563 O ARG A 41 6.973 14.914 -14.984 1.00 0.00 O ATOM 564 CB ARG A 41 7.191 17.779 -16.560 1.00 0.00 C ATOM 565 CG ARG A 41 8.004 16.688 -17.260 1.00 0.00 C ATOM 566 CD ARG A 41 7.088 15.615 -17.852 1.00 0.00 C ATOM 567 NE ARG A 41 7.088 15.708 -19.329 1.00 0.00 N ATOM 568 CZ ARG A 41 8.116 15.340 -20.105 1.00 0.00 C ATOM 569 NH1 ARG A 41 9.234 14.853 -19.549 1.00 0.00 N ATOM 570 NH2 ARG A 41 8.028 15.460 -21.437 1.00 0.00 N ATOM 0 H ARG A 41 6.335 19.151 -14.679 1.00 0.00 H new ATOM 0 HA ARG A 41 5.443 16.763 -15.840 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.538 18.270 -17.281 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.862 18.542 -16.167 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.609 17.131 -18.051 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.693 16.231 -16.550 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.425 14.626 -17.542 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.074 15.740 -17.472 1.00 0.00 H new ATOM 0 HE ARG A 41 6.253 16.075 -19.785 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.302 14.763 -18.535 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.017 14.573 -20.140 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.178 15.832 -21.861 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.811 15.180 -22.027 1.00 0.00 H new ATOM 584 N PRO A 42 8.061 16.550 -13.803 1.00 0.00 N ATOM 585 CA PRO A 42 8.896 15.624 -13.056 1.00 0.00 C ATOM 586 C PRO A 42 8.090 14.919 -11.963 1.00 0.00 C ATOM 587 O PRO A 42 8.482 13.854 -11.488 1.00 0.00 O ATOM 588 CB PRO A 42 10.029 16.474 -12.504 1.00 0.00 C ATOM 589 CG PRO A 42 9.541 17.912 -12.569 1.00 0.00 C ATOM 590 CD PRO A 42 8.310 17.947 -13.459 1.00 0.00 C ATOM 0 HA PRO A 42 9.287 14.816 -13.675 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.268 16.189 -11.480 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.938 16.343 -13.092 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.301 18.279 -11.571 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.320 18.562 -12.969 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.458 18.385 -12.939 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.483 18.550 -14.351 1.00 0.00 H new ATOM 598 N VAL A 43 6.979 15.540 -11.598 1.00 0.00 N ATOM 599 CA VAL A 43 6.115 14.985 -10.570 1.00 0.00 C ATOM 600 C VAL A 43 5.626 13.605 -11.012 1.00 0.00 C ATOM 601 O VAL A 43 5.342 12.746 -10.178 1.00 0.00 O ATOM 602 CB VAL A 43 4.971 15.956 -10.267 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.004 15.361 -9.242 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.510 17.307 -9.793 1.00 0.00 C ATOM 0 H VAL A 43 6.657 16.422 -11.996 1.00 0.00 H new ATOM 0 HA VAL A 43 6.666 14.852 -9.639 1.00 0.00 H new ATOM 0 HB VAL A 43 4.418 16.122 -11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.201 16.071 -9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.582 14.436 -9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.539 15.152 -8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.677 17.978 -9.585 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.098 17.166 -8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.140 17.740 -10.570 1.00 0.00 H new ATOM 614 N LEU A 44 5.541 13.434 -12.323 1.00 0.00 N ATOM 615 CA LEU A 44 5.091 12.172 -12.886 1.00 0.00 C ATOM 616 C LEU A 44 5.953 11.035 -12.332 1.00 0.00 C ATOM 617 O LEU A 44 5.429 10.020 -11.877 1.00 0.00 O ATOM 618 CB LEU A 44 5.075 12.243 -14.414 1.00 0.00 C ATOM 619 CG LEU A 44 3.833 11.666 -15.099 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.019 11.615 -16.617 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.474 10.297 -14.519 1.00 0.00 C ATOM 0 H LEU A 44 5.776 14.148 -13.012 1.00 0.00 H new ATOM 0 HA LEU A 44 4.063 11.967 -12.588 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.177 13.287 -14.711 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.952 11.717 -14.792 1.00 0.00 H new ATOM 0 HG LEU A 44 2.992 12.330 -14.900 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.123 11.201 -17.080 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.191 12.622 -16.996 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.875 10.985 -16.858 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.588 9.909 -15.023 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.306 9.609 -14.668 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.271 10.396 -13.453 1.00 0.00 H new ATOM 633 N GLN A 45 7.260 11.244 -12.390 1.00 0.00 N ATOM 634 CA GLN A 45 8.199 10.250 -11.900 1.00 0.00 C ATOM 635 C GLN A 45 7.929 9.945 -10.425 1.00 0.00 C ATOM 636 O GLN A 45 8.206 8.843 -9.954 1.00 0.00 O ATOM 637 CB GLN A 45 9.644 10.710 -12.109 1.00 0.00 C ATOM 638 CG GLN A 45 10.628 9.744 -11.447 1.00 0.00 C ATOM 639 CD GLN A 45 12.063 10.030 -11.895 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.897 10.492 -11.135 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.301 9.729 -13.169 1.00 0.00 N ATOM 0 H GLN A 45 7.691 12.087 -12.769 1.00 0.00 H new ATOM 0 HA GLN A 45 8.058 9.333 -12.472 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.857 10.778 -13.176 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.775 11.709 -11.694 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.557 9.833 -10.363 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.362 8.718 -11.700 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.556 9.345 -13.750 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.229 9.883 -13.565 1.00 0.00 H new ATOM 650 N THR A 46 7.391 10.941 -9.737 1.00 0.00 N ATOM 651 CA THR A 46 7.080 10.794 -8.326 1.00 0.00 C ATOM 652 C THR A 46 5.983 9.746 -8.128 1.00 0.00 C ATOM 653 O THR A 46 6.084 8.895 -7.245 1.00 0.00 O ATOM 654 CB THR A 46 6.709 12.173 -7.777 1.00 0.00 C ATOM 655 OG1 THR A 46 7.491 12.297 -6.592 1.00 0.00 O ATOM 656 CG2 THR A 46 5.264 12.235 -7.277 1.00 0.00 C ATOM 0 H THR A 46 7.162 11.854 -10.131 1.00 0.00 H new ATOM 0 HA THR A 46 7.941 10.427 -7.768 1.00 0.00 H new ATOM 0 HB THR A 46 6.858 12.924 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.313 13.165 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.053 13.235 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.585 12.007 -8.098 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.124 11.507 -6.478 1.00 0.00 H new ATOM 664 N THR A 47 4.960 9.841 -8.965 1.00 0.00 N ATOM 665 CA THR A 47 3.845 8.912 -8.893 1.00 0.00 C ATOM 666 C THR A 47 4.270 7.530 -9.393 1.00 0.00 C ATOM 667 O THR A 47 3.747 6.514 -8.939 1.00 0.00 O ATOM 668 CB THR A 47 2.679 9.511 -9.681 1.00 0.00 C ATOM 669 OG1 THR A 47 1.633 8.555 -9.534 1.00 0.00 O ATOM 670 CG2 THR A 47 2.945 9.544 -11.187 1.00 0.00 C ATOM 0 H THR A 47 4.880 10.547 -9.697 1.00 0.00 H new ATOM 0 HA THR A 47 3.518 8.765 -7.864 1.00 0.00 H new ATOM 0 HB THR A 47 2.483 10.522 -9.325 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.582 8.000 -10.340 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.086 9.978 -11.699 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.830 10.148 -11.387 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.109 8.529 -11.550 1.00 0.00 H new ATOM 678 N MET A 48 5.215 7.537 -10.322 1.00 0.00 N ATOM 679 CA MET A 48 5.715 6.296 -10.889 1.00 0.00 C ATOM 680 C MET A 48 6.359 5.421 -9.812 1.00 0.00 C ATOM 681 O MET A 48 6.139 4.211 -9.777 1.00 0.00 O ATOM 682 CB MET A 48 6.747 6.611 -11.975 1.00 0.00 C ATOM 683 CG MET A 48 6.131 6.484 -13.370 1.00 0.00 C ATOM 684 SD MET A 48 7.298 7.032 -14.604 1.00 0.00 S ATOM 685 CE MET A 48 6.678 6.152 -16.029 1.00 0.00 C ATOM 0 H MET A 48 5.647 8.382 -10.696 1.00 0.00 H new ATOM 0 HA MET A 48 4.875 5.750 -11.319 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.132 7.621 -11.834 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.594 5.931 -11.884 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.849 5.448 -13.559 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.220 7.079 -13.430 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.297 6.382 -16.896 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.708 5.080 -15.836 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.650 6.456 -16.226 1.00 0.00 H new ATOM 695 N PHE A 49 7.141 6.067 -8.959 1.00 0.00 N ATOM 696 CA PHE A 49 7.817 5.363 -7.883 1.00 0.00 C ATOM 697 C PHE A 49 6.844 5.022 -6.753 1.00 0.00 C ATOM 698 O PHE A 49 6.988 3.994 -6.094 1.00 0.00 O ATOM 699 CB PHE A 49 8.898 6.302 -7.344 1.00 0.00 C ATOM 700 CG PHE A 49 10.310 5.715 -7.385 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.637 4.672 -6.576 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.239 6.236 -8.231 1.00 0.00 C ATOM 703 CE1 PHE A 49 11.947 4.127 -6.614 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.550 5.691 -8.269 1.00 0.00 C ATOM 705 CZ PHE A 49 12.876 4.648 -7.460 1.00 0.00 C ATOM 0 H PHE A 49 7.321 7.070 -8.992 1.00 0.00 H new ATOM 0 HA PHE A 49 8.238 4.430 -8.257 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.883 7.226 -7.922 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.655 6.566 -6.315 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.900 4.258 -5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.980 7.064 -8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.206 3.299 -5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.288 6.105 -8.940 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.873 4.233 -7.489 1.00 0.00 H new ATOM 715 N ILE A 50 5.874 5.905 -6.565 1.00 0.00 N ATOM 716 CA ILE A 50 4.877 5.711 -5.526 1.00 0.00 C ATOM 717 C ILE A 50 4.005 4.505 -5.880 1.00 0.00 C ATOM 718 O ILE A 50 3.597 3.749 -5.000 1.00 0.00 O ATOM 719 CB ILE A 50 4.082 6.998 -5.299 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.066 7.379 -3.817 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.670 6.880 -5.876 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.417 7.950 -3.383 1.00 0.00 C ATOM 0 H ILE A 50 5.757 6.756 -7.115 1.00 0.00 H new ATOM 0 HA ILE A 50 5.359 5.488 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 50 4.581 7.806 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.281 8.114 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.827 6.502 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.127 7.809 -5.701 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.730 6.691 -6.948 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.146 6.056 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.378 8.213 -2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.196 7.204 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.641 8.841 -3.970 1.00 0.00 H new ATOM 734 N GLY A 51 3.746 4.362 -7.172 1.00 0.00 N ATOM 735 CA GLY A 51 2.930 3.260 -7.654 1.00 0.00 C ATOM 736 C GLY A 51 3.627 1.918 -7.418 1.00 0.00 C ATOM 737 O GLY A 51 3.031 0.994 -6.866 1.00 0.00 O ATOM 0 H GLY A 51 4.087 4.991 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.966 3.267 -7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.731 3.388 -8.718 1.00 0.00 H new ATOM 741 N VAL A 52 4.879 1.854 -7.848 1.00 0.00 N ATOM 742 CA VAL A 52 5.662 0.640 -7.690 1.00 0.00 C ATOM 743 C VAL A 52 5.805 0.320 -6.201 1.00 0.00 C ATOM 744 O VAL A 52 5.758 -0.844 -5.806 1.00 0.00 O ATOM 745 CB VAL A 52 7.009 0.792 -8.401 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.737 -0.551 -8.487 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.830 1.409 -9.789 1.00 0.00 C ATOM 0 H VAL A 52 5.370 2.622 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 52 5.156 -0.205 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 52 7.625 1.470 -7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.691 -0.416 -8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.913 -0.934 -7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.126 -1.261 -9.044 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.802 1.506 -10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.187 0.768 -10.392 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.373 2.394 -9.693 1.00 0.00 H new ATOM 757 N ALA A 53 5.976 1.373 -5.415 1.00 0.00 N ATOM 758 CA ALA A 53 6.125 1.218 -3.978 1.00 0.00 C ATOM 759 C ALA A 53 4.819 0.681 -3.389 1.00 0.00 C ATOM 760 O ALA A 53 4.839 -0.128 -2.463 1.00 0.00 O ATOM 761 CB ALA A 53 6.536 2.556 -3.361 1.00 0.00 C ATOM 0 H ALA A 53 6.015 2.337 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 53 6.910 0.498 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.648 2.440 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.484 2.879 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.770 3.303 -3.568 1.00 0.00 H new ATOM 767 N LEU A 54 3.716 1.152 -3.951 1.00 0.00 N ATOM 768 CA LEU A 54 2.404 0.729 -3.493 1.00 0.00 C ATOM 769 C LEU A 54 2.209 -0.754 -3.815 1.00 0.00 C ATOM 770 O LEU A 54 1.423 -1.437 -3.161 1.00 0.00 O ATOM 771 CB LEU A 54 1.315 1.633 -4.076 1.00 0.00 C ATOM 772 CG LEU A 54 0.397 0.991 -5.117 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.759 0.247 -4.445 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.100 2.030 -6.125 1.00 0.00 C ATOM 0 H LEU A 54 3.704 1.823 -4.720 1.00 0.00 H new ATOM 0 HA LEU A 54 2.327 0.833 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.699 2.002 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.795 2.500 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 54 0.975 0.253 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.396 -0.200 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.361 -0.536 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.344 0.947 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.751 1.547 -6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.656 2.808 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.752 2.476 -6.638 1.00 0.00 H new ATOM 786 N VAL A 55 2.938 -1.207 -4.824 1.00 0.00 N ATOM 787 CA VAL A 55 2.855 -2.597 -5.242 1.00 0.00 C ATOM 788 C VAL A 55 3.503 -3.484 -4.177 1.00 0.00 C ATOM 789 O VAL A 55 3.016 -4.578 -3.895 1.00 0.00 O ATOM 790 CB VAL A 55 3.486 -2.766 -6.626 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.494 -4.236 -7.049 1.00 0.00 C ATOM 792 CG2 VAL A 55 2.770 -1.900 -7.664 1.00 0.00 C ATOM 0 H VAL A 55 3.589 -0.637 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 55 1.814 -2.907 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 55 4.521 -2.430 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.948 -4.328 -8.036 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.069 -4.819 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.471 -4.610 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.238 -2.039 -8.639 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.721 -2.192 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.840 -0.852 -7.374 1.00 0.00 H new ATOM 802 N GLU A 56 4.592 -2.980 -3.615 1.00 0.00 N ATOM 803 CA GLU A 56 5.312 -3.714 -2.588 1.00 0.00 C ATOM 804 C GLU A 56 4.572 -3.620 -1.252 1.00 0.00 C ATOM 805 O GLU A 56 5.033 -4.154 -0.244 1.00 0.00 O ATOM 806 CB GLU A 56 6.749 -3.204 -2.455 1.00 0.00 C ATOM 807 CG GLU A 56 6.779 -1.801 -1.848 1.00 0.00 C ATOM 808 CD GLU A 56 8.042 -1.593 -1.009 1.00 0.00 C ATOM 809 OE1 GLU A 56 8.658 -2.619 -0.649 1.00 0.00 O ATOM 810 OE2 GLU A 56 8.362 -0.414 -0.748 1.00 0.00 O ATOM 0 H GLU A 56 4.993 -2.072 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 56 5.359 -4.762 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.325 -3.887 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.226 -3.190 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.739 -1.056 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.896 -1.651 -1.226 1.00 0.00 H new ATOM 817 N ALA A 57 3.436 -2.938 -1.288 1.00 0.00 N ATOM 818 CA ALA A 57 2.628 -2.768 -0.092 1.00 0.00 C ATOM 819 C ALA A 57 1.652 -3.940 0.030 1.00 0.00 C ATOM 820 O ALA A 57 1.222 -4.282 1.130 1.00 0.00 O ATOM 821 CB ALA A 57 1.912 -1.417 -0.148 1.00 0.00 C ATOM 0 H ALA A 57 3.056 -2.497 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 57 3.256 -2.768 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.306 -1.289 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.650 -0.616 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.270 -1.382 -1.028 1.00 0.00 H new ATOM 827 N LEU A 58 1.332 -4.524 -1.116 1.00 0.00 N ATOM 828 CA LEU A 58 0.416 -5.650 -1.151 1.00 0.00 C ATOM 829 C LEU A 58 1.050 -6.841 -0.430 1.00 0.00 C ATOM 830 O LEU A 58 0.426 -7.451 0.436 1.00 0.00 O ATOM 831 CB LEU A 58 -0.003 -5.955 -2.591 1.00 0.00 C ATOM 832 CG LEU A 58 -1.441 -6.443 -2.782 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.436 -5.492 -2.114 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.756 -6.653 -4.265 1.00 0.00 C ATOM 0 H LEU A 58 1.691 -4.238 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.504 -5.409 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.136 -5.053 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.672 -6.710 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.541 -7.411 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.450 -5.862 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.225 -5.436 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.343 -4.499 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.784 -7.000 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.633 -5.711 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.076 -7.398 -4.679 1.00 0.00 H new ATOM 846 N PRO A 59 2.316 -7.145 -0.825 1.00 0.00 N ATOM 847 CA PRO A 59 3.041 -8.252 -0.226 1.00 0.00 C ATOM 848 C PRO A 59 3.529 -7.891 1.179 1.00 0.00 C ATOM 849 O PRO A 59 3.556 -8.741 2.068 1.00 0.00 O ATOM 850 CB PRO A 59 4.178 -8.546 -1.192 1.00 0.00 C ATOM 851 CG PRO A 59 4.324 -7.303 -2.055 1.00 0.00 C ATOM 852 CD PRO A 59 3.086 -6.444 -1.848 1.00 0.00 C ATOM 0 HA PRO A 59 2.418 -9.135 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.102 -8.759 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.955 -9.421 -1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.222 -6.751 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.427 -7.577 -3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.352 -5.438 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.516 -6.341 -2.772 1.00 0.00 H new ATOM 860 N ILE A 60 3.903 -6.630 1.335 1.00 0.00 N ATOM 861 CA ILE A 60 4.388 -6.147 2.617 1.00 0.00 C ATOM 862 C ILE A 60 3.326 -6.402 3.688 1.00 0.00 C ATOM 863 O ILE A 60 3.604 -7.038 4.704 1.00 0.00 O ATOM 864 CB ILE A 60 4.814 -4.681 2.510 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.253 -4.564 2.001 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.617 -3.954 3.842 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.587 -3.118 1.629 1.00 0.00 C ATOM 0 H ILE A 60 3.880 -5.928 0.595 1.00 0.00 H new ATOM 0 HA ILE A 60 5.282 -6.694 2.917 1.00 0.00 H new ATOM 0 HB ILE A 60 4.172 -4.191 1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.943 -4.915 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.389 -5.208 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.927 -2.914 3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.565 -3.992 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.218 -4.437 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.615 -3.063 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.910 -2.778 0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.474 -2.481 2.506 1.00 0.00 H new ATOM 879 N ILE A 61 2.132 -5.892 3.426 1.00 0.00 N ATOM 880 CA ILE A 61 1.027 -6.057 4.355 1.00 0.00 C ATOM 881 C ILE A 61 0.771 -7.549 4.577 1.00 0.00 C ATOM 882 O ILE A 61 0.533 -7.980 5.704 1.00 0.00 O ATOM 883 CB ILE A 61 -0.203 -5.288 3.867 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.138 -3.819 3.604 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.368 -5.439 4.846 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.737 -3.245 2.487 1.00 0.00 C ATOM 0 H ILE A 61 1.905 -5.364 2.583 1.00 0.00 H new ATOM 0 HA ILE A 61 1.278 -5.628 5.325 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.522 -5.720 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.004 -3.240 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.189 -3.729 3.330 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.229 -4.883 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.630 -6.493 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.077 -5.049 5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.475 -2.200 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.574 -3.811 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.786 -3.314 2.775 1.00 0.00 H new ATOM 898 N GLY A 62 0.828 -8.295 3.484 1.00 0.00 N ATOM 899 CA GLY A 62 0.605 -9.730 3.545 1.00 0.00 C ATOM 900 C GLY A 62 1.599 -10.399 4.496 1.00 0.00 C ATOM 901 O GLY A 62 1.264 -11.377 5.162 1.00 0.00 O ATOM 0 H GLY A 62 1.025 -7.933 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.413 -9.930 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.704 -10.160 2.548 1.00 0.00 H new ATOM 905 N VAL A 63 2.802 -9.845 4.530 1.00 0.00 N ATOM 906 CA VAL A 63 3.847 -10.375 5.389 1.00 0.00 C ATOM 907 C VAL A 63 3.461 -10.151 6.852 1.00 0.00 C ATOM 908 O VAL A 63 3.727 -10.997 7.705 1.00 0.00 O ATOM 909 CB VAL A 63 5.194 -9.749 5.022 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.311 -10.289 5.918 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.519 -9.973 3.544 1.00 0.00 C ATOM 0 H VAL A 63 3.076 -9.034 3.976 1.00 0.00 H new ATOM 0 HA VAL A 63 3.954 -11.450 5.243 1.00 0.00 H new ATOM 0 HB VAL A 63 5.121 -8.674 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.258 -9.828 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.088 -10.054 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.383 -11.370 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.481 -9.518 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.564 -11.043 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.743 -9.518 2.928 1.00 0.00 H new ATOM 921 N VAL A 64 2.841 -9.006 7.098 1.00 0.00 N ATOM 922 CA VAL A 64 2.416 -8.660 8.444 1.00 0.00 C ATOM 923 C VAL A 64 1.410 -9.700 8.940 1.00 0.00 C ATOM 924 O VAL A 64 1.596 -10.291 10.003 1.00 0.00 O ATOM 925 CB VAL A 64 1.863 -7.234 8.467 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.835 -7.063 9.588 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.992 -6.209 8.597 1.00 0.00 C ATOM 0 H VAL A 64 2.623 -8.306 6.388 1.00 0.00 H new ATOM 0 HA VAL A 64 3.264 -8.677 9.129 1.00 0.00 H new ATOM 0 HB VAL A 64 1.357 -7.056 7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.457 -6.041 9.583 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.008 -7.756 9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.306 -7.271 10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.571 -5.204 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.539 -6.386 9.523 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.671 -6.306 7.750 1.00 0.00 H new ATOM 937 N PHE A 65 0.366 -9.892 8.148 1.00 0.00 N ATOM 938 CA PHE A 65 -0.670 -10.850 8.493 1.00 0.00 C ATOM 939 C PHE A 65 -0.061 -12.198 8.885 1.00 0.00 C ATOM 940 O PHE A 65 -0.511 -12.833 9.838 1.00 0.00 O ATOM 941 CB PHE A 65 -1.538 -11.039 7.248 1.00 0.00 C ATOM 942 CG PHE A 65 -1.729 -12.501 6.838 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.343 -13.370 7.685 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.285 -12.932 5.627 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.520 -14.726 7.306 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.462 -14.288 5.247 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.076 -15.157 6.094 1.00 0.00 C ATOM 0 H PHE A 65 0.215 -9.400 7.267 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.249 -10.483 9.340 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.516 -10.592 7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.087 -10.495 6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.696 -13.028 8.647 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.797 -12.242 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.007 -15.416 7.979 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.109 -14.630 4.285 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.211 -16.189 5.805 1.00 0.00 H new ATOM 957 N SER A 66 0.953 -12.595 8.130 1.00 0.00 N ATOM 958 CA SER A 66 1.628 -13.856 8.387 1.00 0.00 C ATOM 959 C SER A 66 2.337 -13.804 9.742 1.00 0.00 C ATOM 960 O SER A 66 2.279 -14.760 10.514 1.00 0.00 O ATOM 961 CB SER A 66 2.629 -14.181 7.276 1.00 0.00 C ATOM 962 OG SER A 66 3.886 -13.545 7.488 1.00 0.00 O ATOM 0 H SER A 66 1.323 -12.066 7.341 1.00 0.00 H new ATOM 0 HA SER A 66 0.879 -14.647 8.407 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.773 -15.260 7.222 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.220 -13.866 6.316 1.00 0.00 H new ATOM 0 HG SER A 66 3.784 -12.576 7.386 1.00 0.00 H new ATOM 968 N PHE A 67 2.990 -12.678 9.989 1.00 0.00 N ATOM 969 CA PHE A 67 3.709 -12.488 11.237 1.00 0.00 C ATOM 970 C PHE A 67 2.764 -12.592 12.436 1.00 0.00 C ATOM 971 O PHE A 67 3.154 -13.074 13.498 1.00 0.00 O ATOM 972 CB PHE A 67 4.311 -11.082 11.198 1.00 0.00 C ATOM 973 CG PHE A 67 5.825 -11.059 10.976 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.356 -11.614 9.854 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.639 -10.484 11.901 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.761 -11.592 9.648 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.044 -10.463 11.696 1.00 0.00 C ATOM 978 CZ PHE A 67 8.575 -11.017 10.573 1.00 0.00 C ATOM 0 H PHE A 67 3.036 -11.888 9.346 1.00 0.00 H new ATOM 0 HA PHE A 67 4.475 -13.256 11.345 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.829 -10.513 10.403 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.084 -10.575 12.136 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.710 -12.071 9.120 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.217 -10.043 12.792 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.183 -12.032 8.757 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.691 -10.007 12.431 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.643 -11.000 10.416 1.00 0.00 H new ATOM 988 N ILE A 68 1.540 -12.132 12.225 1.00 0.00 N ATOM 989 CA ILE A 68 0.536 -12.168 13.275 1.00 0.00 C ATOM 990 C ILE A 68 0.328 -13.614 13.727 1.00 0.00 C ATOM 991 O ILE A 68 0.464 -13.925 14.910 1.00 0.00 O ATOM 992 CB ILE A 68 -0.748 -11.477 12.812 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.767 -10.009 13.243 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.985 -12.234 13.301 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.466 -9.268 12.722 1.00 0.00 C ATOM 0 H ILE A 68 1.220 -11.732 11.343 1.00 0.00 H new ATOM 0 HA ILE A 68 0.876 -11.608 14.146 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.770 -11.493 11.722 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.670 -9.528 12.868 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.801 -9.946 14.331 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.884 -11.722 12.958 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.971 -13.249 12.903 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.982 -12.271 14.390 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.427 -8.227 13.043 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.367 -9.737 13.119 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.484 -9.312 11.633 1.00 0.00 H new ATOM 1007 N TYR A 69 0.001 -14.461 12.762 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.228 -15.868 13.046 1.00 0.00 C ATOM 1009 C TYR A 69 0.917 -16.452 13.875 1.00 0.00 C ATOM 1010 O TYR A 69 0.681 -17.144 14.865 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.268 -16.571 11.687 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.109 -17.849 11.674 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -0.796 -18.889 12.525 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.179 -17.962 10.809 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.587 -20.093 12.512 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -2.969 -19.166 10.796 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.635 -20.171 11.648 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.382 -21.308 11.636 1.00 0.00 O ATOM 0 H TYR A 69 -0.111 -14.200 11.782 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.150 -16.001 13.613 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.664 -15.880 10.943 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.751 -16.815 11.385 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.042 -18.800 13.201 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.423 -17.148 10.143 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.353 -20.915 13.173 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.808 -19.268 10.124 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.097 -21.223 10.971 1.00 0.00 H new ATOM 1028 N LEU A 70 2.133 -16.154 13.441 1.00 0.00 N ATOM 1029 CA LEU A 70 3.315 -16.641 14.131 1.00 0.00 C ATOM 1030 C LEU A 70 3.229 -16.261 15.611 1.00 0.00 C ATOM 1031 O LEU A 70 3.887 -16.872 16.451 1.00 0.00 O ATOM 1032 CB LEU A 70 4.584 -16.139 13.440 1.00 0.00 C ATOM 1033 CG LEU A 70 5.704 -17.167 13.265 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.574 -17.896 11.926 1.00 0.00 C ATOM 1035 CD2 LEU A 70 7.078 -16.515 13.431 1.00 0.00 C ATOM 0 H LEU A 70 2.325 -15.581 12.619 1.00 0.00 H new ATOM 0 HA LEU A 70 3.363 -17.729 14.083 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.311 -15.757 12.456 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.976 -15.297 14.011 1.00 0.00 H new ATOM 0 HG LEU A 70 5.606 -17.916 14.051 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.382 -18.621 11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.615 -18.413 11.885 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.632 -17.174 11.111 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.856 -17.268 13.302 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.202 -15.732 12.682 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.156 -16.080 14.427 1.00 0.00 H new ATOM 1047 N GLY A 71 2.412 -15.254 15.884 1.00 0.00 N ATOM 1048 CA GLY A 71 2.232 -14.786 17.248 1.00 0.00 C ATOM 1049 C GLY A 71 2.762 -13.360 17.412 1.00 0.00 C ATOM 1050 O GLY A 71 2.947 -12.888 18.533 1.00 0.00 O ATOM 0 H GLY A 71 1.868 -14.749 15.184 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.175 -14.817 17.511 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.751 -15.452 17.937 1.00 0.00 H new ATOM 1054 N ARG A 72 2.991 -12.714 16.278 1.00 0.00 N ATOM 1055 CA ARG A 72 3.496 -11.351 16.282 1.00 0.00 C ATOM 1056 C ARG A 72 2.644 -10.467 15.369 1.00 0.00 C ATOM 1057 O ARG A 72 2.349 -9.322 15.708 1.00 0.00 O ATOM 1058 CB ARG A 72 4.952 -11.302 15.815 1.00 0.00 C ATOM 1059 CG ARG A 72 5.890 -10.974 16.978 1.00 0.00 C ATOM 1060 CD ARG A 72 6.986 -12.033 17.114 1.00 0.00 C ATOM 1061 NE ARG A 72 7.739 -11.824 18.371 1.00 0.00 N ATOM 1062 CZ ARG A 72 7.262 -12.116 19.589 1.00 0.00 C ATOM 1063 NH1 ARG A 72 6.032 -12.630 19.722 1.00 0.00 N ATOM 1064 NH2 ARG A 72 8.016 -11.893 20.674 1.00 0.00 N ATOM 0 H ARG A 72 2.836 -13.109 15.350 1.00 0.00 H new ATOM 0 HA ARG A 72 3.442 -10.980 17.306 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.230 -12.261 15.378 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.061 -10.552 15.032 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.343 -9.995 16.820 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.319 -10.915 17.905 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.543 -13.029 17.107 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.663 -11.979 16.262 1.00 0.00 H new ATOM 0 HE ARG A 72 8.679 -11.434 18.306 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.458 -12.799 18.896 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.670 -12.852 20.649 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.952 -11.501 20.573 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.654 -12.115 21.601 1.00 0.00 H new TER 1078 ARG A 72