USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 637 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 Set 1.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0.00814 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.662 (180deg=-0.843) USER MOD Single : A 2 ASN : amide:sc= -0.266 K(o=-0.27,f=-5.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.056) USER MOD Single : A 17 THR OG1 : rot 12:sc= 0.178 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 86:sc= 1.24 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc=-0.00774 USER MOD Single : A 38 SER OG : rot -2:sc= 0.675 USER MOD Single : A 40 GLN : amide:sc=-0.00363 K(o=-0.0036,f=-0.94) USER MOD Single : A 42 MET CE :methyl -165:sc= -0.224 (180deg=-0.713) USER MOD Single : A 56 ASN : amide:sc= -0.0273 K(o=-0.027,f=-0.55) USER MOD Single : A 59 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.014) USER MOD Single : A 61 LYS NZ :NH3+ 136:sc= -2.37! (180deg=-5.12!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00123 USER MOD Single : A 65 SER OG : rot 180:sc=-0.00324 USER MOD Single : A 67 LYS NZ :NH3+ 138:sc= -0.0588 (180deg=-0.304) USER MOD Single : A 72 THR OG1 : rot 71:sc= 0.0183 USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0514 (180deg=-0.339) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.318 -0.209 11.522 1.00 0.00 N ATOM 2 CA MET A 1 1.979 -0.063 10.201 1.00 0.00 C ATOM 3 C MET A 1 1.216 -0.806 9.105 1.00 0.00 C ATOM 4 O MET A 1 0.705 -0.180 8.184 1.00 0.00 O ATOM 5 CB MET A 1 3.442 -0.542 10.267 1.00 0.00 C ATOM 6 CG MET A 1 4.411 0.529 10.750 1.00 0.00 C ATOM 7 SD MET A 1 5.968 -0.143 11.368 1.00 0.00 S ATOM 8 CE MET A 1 6.615 -0.952 9.907 1.00 0.00 C ATOM 0 H1 MET A 1 1.863 0.308 12.242 1.00 0.00 H new ATOM 0 H2 MET A 1 0.354 0.179 11.473 1.00 0.00 H new ATOM 0 H3 MET A 1 1.273 -1.216 11.778 1.00 0.00 H new ATOM 0 HA MET A 1 1.973 0.997 9.946 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.504 -1.403 10.932 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.750 -0.880 9.278 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.620 1.216 9.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.935 1.110 11.540 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.628 -1.304 10.104 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.980 -1.800 9.649 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.632 -0.245 9.077 1.00 0.00 H new ATOM 17 N ASN A 2 1.127 -2.132 9.206 1.00 0.00 N ATOM 18 CA ASN A 2 0.506 -2.950 8.152 1.00 0.00 C ATOM 19 C ASN A 2 -0.927 -2.495 7.860 1.00 0.00 C ATOM 20 O ASN A 2 -1.308 -2.325 6.698 1.00 0.00 O ATOM 21 CB ASN A 2 0.526 -4.446 8.516 1.00 0.00 C ATOM 22 CG ASN A 2 -0.259 -4.773 9.773 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.331 -3.967 10.701 1.00 0.00 O ATOM 24 ND2 ASN A 2 -0.851 -5.954 9.818 1.00 0.00 N ATOM 0 H ASN A 2 1.474 -2.666 10.003 1.00 0.00 H new ATOM 0 HA ASN A 2 1.100 -2.809 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.119 -5.020 7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.560 -4.766 8.649 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.390 -6.223 10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.769 -6.596 9.030 1.00 0.00 H new ATOM 31 N ALA A 3 -1.709 -2.281 8.914 1.00 0.00 N ATOM 32 CA ALA A 3 -3.082 -1.804 8.768 1.00 0.00 C ATOM 33 C ALA A 3 -3.082 -0.394 8.192 1.00 0.00 C ATOM 34 O ALA A 3 -3.870 -0.067 7.309 1.00 0.00 O ATOM 35 CB ALA A 3 -3.808 -1.842 10.107 1.00 0.00 C ATOM 0 H ALA A 3 -1.416 -2.430 9.879 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.613 -2.462 8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.829 -1.483 9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.828 -2.866 10.481 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.287 -1.205 10.822 1.00 0.00 H new ATOM 41 N THR A 4 -2.168 0.423 8.695 1.00 0.00 N ATOM 42 CA THR A 4 -1.976 1.786 8.214 1.00 0.00 C ATOM 43 C THR A 4 -1.753 1.807 6.696 1.00 0.00 C ATOM 44 O THR A 4 -2.331 2.620 5.971 1.00 0.00 O ATOM 45 CB THR A 4 -0.749 2.406 8.920 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.857 2.210 10.337 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.607 3.889 8.614 1.00 0.00 C ATOM 0 H THR A 4 -1.536 0.160 9.451 1.00 0.00 H new ATOM 0 HA THR A 4 -2.873 2.363 8.439 1.00 0.00 H new ATOM 0 HB THR A 4 0.141 1.904 8.542 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.077 2.602 10.782 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.268 4.285 9.130 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.489 4.029 7.540 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.498 4.417 8.953 1.00 0.00 H new ATOM 55 N ILE A 5 -0.922 0.882 6.234 1.00 0.00 N ATOM 56 CA ILE A 5 -0.538 0.791 4.831 1.00 0.00 C ATOM 57 C ILE A 5 -1.729 0.425 3.947 1.00 0.00 C ATOM 58 O ILE A 5 -1.966 1.063 2.927 1.00 0.00 O ATOM 59 CB ILE A 5 0.606 -0.240 4.647 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.856 0.221 5.426 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.929 -0.439 3.166 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.913 -0.851 5.600 1.00 0.00 C ATOM 0 H ILE A 5 -0.493 0.170 6.825 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.182 1.773 4.521 1.00 0.00 H new ATOM 0 HB ILE A 5 0.279 -1.201 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.299 1.071 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.547 0.573 6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.734 -1.166 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.043 -0.803 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.240 0.511 2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.756 -0.443 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.490 -1.694 6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.254 -1.188 4.621 1.00 0.00 H new ATOM 74 N ARG A 6 -2.489 -0.590 4.348 1.00 0.00 N ATOM 75 CA ARG A 6 -3.659 -1.012 3.574 1.00 0.00 C ATOM 76 C ARG A 6 -4.768 0.037 3.667 1.00 0.00 C ATOM 77 O ARG A 6 -5.557 0.210 2.737 1.00 0.00 O ATOM 78 CB ARG A 6 -4.175 -2.375 4.064 1.00 0.00 C ATOM 79 CG ARG A 6 -4.643 -2.378 5.515 1.00 0.00 C ATOM 80 CD ARG A 6 -5.117 -3.756 5.958 1.00 0.00 C ATOM 81 NE ARG A 6 -6.299 -4.203 5.219 1.00 0.00 N ATOM 82 CZ ARG A 6 -6.698 -5.474 5.150 1.00 0.00 C ATOM 83 NH1 ARG A 6 -6.002 -6.427 5.757 1.00 0.00 N ATOM 84 NH2 ARG A 6 -7.794 -5.792 4.474 1.00 0.00 N ATOM 0 H ARG A 6 -2.321 -1.133 5.195 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.358 -1.113 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.001 -2.689 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.383 -3.115 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.828 -2.050 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.454 -1.659 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.311 -4.477 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.345 -3.734 7.024 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.851 -3.500 4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.159 -6.189 6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.311 -7.398 5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.334 -5.064 4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.097 -6.765 4.423 1.00 0.00 H new ATOM 98 N GLU A 7 -4.802 0.741 4.793 1.00 0.00 N ATOM 99 CA GLU A 7 -5.831 1.740 5.060 1.00 0.00 C ATOM 100 C GLU A 7 -5.604 3.008 4.244 1.00 0.00 C ATOM 101 O GLU A 7 -6.562 3.626 3.772 1.00 0.00 O ATOM 102 CB GLU A 7 -5.854 2.071 6.558 1.00 0.00 C ATOM 103 CG GLU A 7 -6.798 3.206 6.939 1.00 0.00 C ATOM 104 CD GLU A 7 -6.861 3.433 8.440 1.00 0.00 C ATOM 105 OE1 GLU A 7 -7.646 2.740 9.120 1.00 0.00 O ATOM 106 OE2 GLU A 7 -6.124 4.306 8.952 1.00 0.00 O ATOM 0 H GLU A 7 -4.120 0.636 5.544 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.794 1.324 4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.140 1.176 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.845 2.333 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.473 4.124 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.798 2.983 6.566 1.00 0.00 H new ATOM 113 N ILE A 8 -4.339 3.395 4.061 1.00 0.00 N ATOM 114 CA ILE A 8 -4.033 4.660 3.403 1.00 0.00 C ATOM 115 C ILE A 8 -4.625 4.715 1.993 1.00 0.00 C ATOM 116 O ILE A 8 -4.998 5.785 1.518 1.00 0.00 O ATOM 117 CB ILE A 8 -2.516 4.973 3.344 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.327 6.452 2.985 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.807 4.077 2.333 1.00 0.00 C ATOM 120 CD1 ILE A 8 -0.896 6.911 2.972 1.00 0.00 C ATOM 0 H ILE A 8 -3.524 2.857 4.355 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.498 5.427 4.022 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.072 4.774 4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.763 6.633 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.884 7.060 3.698 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.745 4.320 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.936 3.033 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.234 4.237 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.855 7.968 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.458 6.766 3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.335 6.332 2.238 1.00 0.00 H new ATOM 132 N LEU A 9 -4.710 3.563 1.329 1.00 0.00 N ATOM 133 CA LEU A 9 -5.266 3.488 -0.029 1.00 0.00 C ATOM 134 C LEU A 9 -6.662 4.112 -0.095 1.00 0.00 C ATOM 135 O LEU A 9 -7.084 4.599 -1.142 1.00 0.00 O ATOM 136 CB LEU A 9 -5.322 2.029 -0.521 1.00 0.00 C ATOM 137 CG LEU A 9 -3.990 1.442 -1.023 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.464 2.239 -2.216 1.00 0.00 C ATOM 139 CD2 LEU A 9 -2.953 1.406 0.094 1.00 0.00 C ATOM 0 H LEU A 9 -4.402 2.667 1.706 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.603 4.056 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.689 1.404 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.053 1.965 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.176 0.418 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.522 1.808 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.192 2.204 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.302 3.275 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.022 0.987 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.774 2.418 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.321 0.787 0.912 1.00 0.00 H new ATOM 151 N ALA A 10 -7.368 4.102 1.029 1.00 0.00 N ATOM 152 CA ALA A 10 -8.721 4.641 1.096 1.00 0.00 C ATOM 153 C ALA A 10 -8.721 6.175 1.072 1.00 0.00 C ATOM 154 O ALA A 10 -9.665 6.797 0.575 1.00 0.00 O ATOM 155 CB ALA A 10 -9.423 4.125 2.350 1.00 0.00 C ATOM 0 H ALA A 10 -7.023 3.724 1.912 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.265 4.302 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.434 4.531 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.471 3.036 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.867 4.438 3.233 1.00 0.00 H new ATOM 161 N LYS A 11 -7.659 6.777 1.606 1.00 0.00 N ATOM 162 CA LYS A 11 -7.604 8.230 1.807 1.00 0.00 C ATOM 163 C LYS A 11 -6.586 8.922 0.887 1.00 0.00 C ATOM 164 O LYS A 11 -6.712 10.114 0.601 1.00 0.00 O ATOM 165 CB LYS A 11 -7.293 8.527 3.284 1.00 0.00 C ATOM 166 CG LYS A 11 -6.083 7.765 3.823 1.00 0.00 C ATOM 167 CD LYS A 11 -5.949 7.882 5.341 1.00 0.00 C ATOM 168 CE LYS A 11 -5.721 9.319 5.794 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.619 9.425 7.273 1.00 0.00 N ATOM 0 H LYS A 11 -6.821 6.281 1.909 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.579 8.639 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.119 9.597 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.166 8.278 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.168 6.714 3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.177 8.146 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.851 7.493 5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.119 7.261 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.808 9.702 5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.540 9.945 5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.464 10.418 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.500 9.083 7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.821 8.848 7.608 1.00 0.00 H new ATOM 183 N PHE A 12 -5.582 8.182 0.425 1.00 0.00 N ATOM 184 CA PHE A 12 -4.537 8.737 -0.448 1.00 0.00 C ATOM 185 C PHE A 12 -4.376 7.913 -1.722 1.00 0.00 C ATOM 186 O PHE A 12 -3.555 8.240 -2.577 1.00 0.00 O ATOM 187 CB PHE A 12 -3.189 8.813 0.285 1.00 0.00 C ATOM 188 CG PHE A 12 -3.072 9.981 1.233 1.00 0.00 C ATOM 189 CD1 PHE A 12 -2.696 11.232 0.765 1.00 0.00 C ATOM 190 CD2 PHE A 12 -3.336 9.832 2.586 1.00 0.00 C ATOM 191 CE1 PHE A 12 -2.586 12.307 1.626 1.00 0.00 C ATOM 192 CE2 PHE A 12 -3.227 10.902 3.451 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.852 12.139 2.971 1.00 0.00 C ATOM 0 H PHE A 12 -5.465 7.192 0.639 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.853 9.744 -0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.038 7.889 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.389 8.875 -0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.487 11.367 -0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.631 8.866 2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.293 13.276 1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.435 10.771 4.503 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.766 12.977 3.647 1.00 0.00 H new ATOM 203 N GLY A 13 -5.150 6.844 -1.841 1.00 0.00 N ATOM 204 CA GLY A 13 -5.099 6.019 -3.031 1.00 0.00 C ATOM 205 C GLY A 13 -6.215 6.372 -3.987 1.00 0.00 C ATOM 206 O GLY A 13 -7.386 6.351 -3.607 1.00 0.00 O ATOM 0 H GLY A 13 -5.814 6.532 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.137 6.149 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.174 4.968 -2.752 1.00 0.00 H new ATOM 210 N GLN A 14 -5.862 6.707 -5.223 1.00 0.00 N ATOM 211 CA GLN A 14 -6.852 7.062 -6.239 1.00 0.00 C ATOM 212 C GLN A 14 -7.508 5.800 -6.805 1.00 0.00 C ATOM 213 O GLN A 14 -7.528 5.574 -8.016 1.00 0.00 O ATOM 214 CB GLN A 14 -6.200 7.889 -7.358 1.00 0.00 C ATOM 215 CG GLN A 14 -5.499 9.149 -6.858 1.00 0.00 C ATOM 216 CD GLN A 14 -6.424 10.079 -6.091 1.00 0.00 C ATOM 217 OE1 GLN A 14 -6.564 9.971 -4.872 1.00 0.00 O ATOM 218 NE2 GLN A 14 -7.067 10.995 -6.797 1.00 0.00 N ATOM 0 H GLN A 14 -4.896 6.741 -5.548 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.627 7.671 -5.774 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.477 7.266 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.964 8.172 -8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.666 8.864 -6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.077 9.685 -7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.925 11.054 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.704 11.642 -6.333 1.00 0.00 H new ATOM 227 N LEU A 15 -8.028 4.976 -5.903 1.00 0.00 N ATOM 228 CA LEU A 15 -8.734 3.755 -6.261 1.00 0.00 C ATOM 229 C LEU A 15 -10.217 4.070 -6.487 1.00 0.00 C ATOM 230 O LEU A 15 -10.889 4.575 -5.585 1.00 0.00 O ATOM 231 CB LEU A 15 -8.567 2.717 -5.134 1.00 0.00 C ATOM 232 CG LEU A 15 -9.131 1.313 -5.421 1.00 0.00 C ATOM 233 CD1 LEU A 15 -8.403 0.669 -6.592 1.00 0.00 C ATOM 234 CD2 LEU A 15 -9.038 0.428 -4.180 1.00 0.00 C ATOM 0 H LEU A 15 -7.971 5.138 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.319 3.343 -7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.505 2.621 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.049 3.104 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.183 1.419 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.817 -0.322 -6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.527 1.286 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.342 0.581 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.442 -0.559 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.995 0.333 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.611 0.878 -3.369 1.00 0.00 H new ATOM 246 N PRO A 16 -10.752 3.772 -7.691 1.00 0.00 N ATOM 247 CA PRO A 16 -12.147 4.079 -8.045 1.00 0.00 C ATOM 248 C PRO A 16 -13.127 3.047 -7.489 1.00 0.00 C ATOM 249 O PRO A 16 -14.242 2.889 -7.992 1.00 0.00 O ATOM 250 CB PRO A 16 -12.120 4.025 -9.575 1.00 0.00 C ATOM 251 CG PRO A 16 -11.087 2.994 -9.889 1.00 0.00 C ATOM 252 CD PRO A 16 -10.044 3.098 -8.801 1.00 0.00 C ATOM 0 HA PRO A 16 -12.483 5.032 -7.636 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -13.093 3.749 -9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.859 4.993 -10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.527 1.997 -9.913 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.646 3.171 -10.870 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.678 2.115 -8.503 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.179 3.673 -9.131 1.00 0.00 H new ATOM 260 N THR A 17 -12.700 2.350 -6.450 1.00 0.00 N ATOM 261 CA THR A 17 -13.465 1.282 -5.854 1.00 0.00 C ATOM 262 C THR A 17 -13.142 1.205 -4.358 1.00 0.00 C ATOM 263 O THR A 17 -11.989 1.383 -3.966 1.00 0.00 O ATOM 264 CB THR A 17 -13.128 -0.045 -6.572 1.00 0.00 C ATOM 265 OG1 THR A 17 -13.827 -0.114 -7.823 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.455 -1.256 -5.723 1.00 0.00 C ATOM 0 H THR A 17 -11.802 2.516 -5.996 1.00 0.00 H new ATOM 0 HA THR A 17 -14.533 1.469 -5.964 1.00 0.00 H new ATOM 0 HB THR A 17 -12.053 -0.058 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.208 0.764 -8.034 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.201 -2.164 -6.270 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.880 -1.217 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.520 -1.260 -5.489 1.00 0.00 H new ATOM 274 N PRO A 18 -14.154 0.964 -3.502 1.00 0.00 N ATOM 275 CA PRO A 18 -13.966 0.930 -2.046 1.00 0.00 C ATOM 276 C PRO A 18 -12.986 -0.164 -1.615 1.00 0.00 C ATOM 277 O PRO A 18 -13.165 -1.337 -1.948 1.00 0.00 O ATOM 278 CB PRO A 18 -15.379 0.657 -1.495 1.00 0.00 C ATOM 279 CG PRO A 18 -16.141 0.082 -2.644 1.00 0.00 C ATOM 280 CD PRO A 18 -15.555 0.705 -3.882 1.00 0.00 C ATOM 0 HA PRO A 18 -13.534 1.857 -1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.347 -0.038 -0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.845 1.573 -1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.046 -1.004 -2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.204 0.307 -2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.622 0.035 -4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.074 1.624 -4.154 1.00 0.00 H new ATOM 288 N VAL A 19 -11.962 0.231 -0.862 1.00 0.00 N ATOM 289 CA VAL A 19 -10.946 -0.699 -0.369 1.00 0.00 C ATOM 290 C VAL A 19 -11.589 -1.777 0.509 1.00 0.00 C ATOM 291 O VAL A 19 -11.036 -2.862 0.698 1.00 0.00 O ATOM 292 CB VAL A 19 -9.844 0.047 0.434 1.00 0.00 C ATOM 293 CG1 VAL A 19 -8.741 -0.911 0.894 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.256 1.188 -0.396 1.00 0.00 C ATOM 0 H VAL A 19 -11.812 1.199 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.481 -1.172 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.309 0.468 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.987 -0.356 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.172 -1.682 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.278 -1.378 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.486 1.699 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.817 0.785 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.045 1.894 -0.654 1.00 0.00 H new ATOM 304 N ASP A 20 -12.770 -1.464 1.030 1.00 0.00 N ATOM 305 CA ASP A 20 -13.543 -2.400 1.845 1.00 0.00 C ATOM 306 C ASP A 20 -13.840 -3.703 1.094 1.00 0.00 C ATOM 307 O ASP A 20 -13.911 -4.775 1.704 1.00 0.00 O ATOM 308 CB ASP A 20 -14.863 -1.747 2.283 1.00 0.00 C ATOM 309 CG ASP A 20 -15.793 -2.718 2.996 1.00 0.00 C ATOM 310 OD1 ASP A 20 -15.556 -3.015 4.186 1.00 0.00 O ATOM 311 OD2 ASP A 20 -16.765 -3.193 2.371 1.00 0.00 O ATOM 0 H ASP A 20 -13.219 -0.557 0.901 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.941 -2.647 2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.646 -0.907 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.370 -1.341 1.408 1.00 0.00 H new ATOM 316 N THR A 21 -14.012 -3.615 -0.226 1.00 0.00 N ATOM 317 CA THR A 21 -14.404 -4.779 -1.019 1.00 0.00 C ATOM 318 C THR A 21 -13.201 -5.685 -1.296 1.00 0.00 C ATOM 319 O THR A 21 -13.358 -6.885 -1.537 1.00 0.00 O ATOM 320 CB THR A 21 -15.085 -4.370 -2.353 1.00 0.00 C ATOM 321 OG1 THR A 21 -15.827 -5.478 -2.887 1.00 0.00 O ATOM 322 CG2 THR A 21 -14.066 -3.902 -3.389 1.00 0.00 C ATOM 0 H THR A 21 -13.887 -2.757 -0.764 1.00 0.00 H new ATOM 0 HA THR A 21 -15.133 -5.334 -0.429 1.00 0.00 H new ATOM 0 HB THR A 21 -15.757 -3.540 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 21 -16.254 -5.211 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.582 -3.625 -4.308 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.525 -3.039 -3.003 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.362 -4.708 -3.597 1.00 0.00 H new ATOM 330 N ILE A 22 -12.001 -5.111 -1.244 1.00 0.00 N ATOM 331 CA ILE A 22 -10.771 -5.870 -1.453 1.00 0.00 C ATOM 332 C ILE A 22 -10.131 -6.187 -0.105 1.00 0.00 C ATOM 333 O ILE A 22 -10.707 -5.894 0.947 1.00 0.00 O ATOM 334 CB ILE A 22 -9.763 -5.110 -2.362 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.421 -3.733 -1.766 1.00 0.00 C ATOM 336 CG2 ILE A 22 -10.320 -4.965 -3.779 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.450 -2.923 -2.603 1.00 0.00 C ATOM 0 H ILE A 22 -11.855 -4.119 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.032 -6.796 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.844 -5.693 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.342 -3.163 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.998 -3.874 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.601 -4.431 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.501 -5.953 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.256 -4.407 -3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.260 -1.967 -2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.513 -3.471 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.878 -2.749 -3.590 1.00 0.00 H new ATOM 349 N ALA A 23 -8.948 -6.783 -0.134 1.00 0.00 N ATOM 350 CA ALA A 23 -8.263 -7.195 1.085 1.00 0.00 C ATOM 351 C ALA A 23 -6.762 -7.283 0.854 1.00 0.00 C ATOM 352 O ALA A 23 -6.298 -7.232 -0.286 1.00 0.00 O ATOM 353 CB ALA A 23 -8.811 -8.534 1.566 1.00 0.00 C ATOM 0 H ALA A 23 -8.439 -6.993 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.443 -6.446 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.293 -8.833 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.878 -8.439 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.655 -9.289 0.795 1.00 0.00 H new ATOM 359 N ASP A 24 -6.013 -7.441 1.940 1.00 0.00 N ATOM 360 CA ASP A 24 -4.553 -7.507 1.882 1.00 0.00 C ATOM 361 C ASP A 24 -4.095 -8.760 1.137 1.00 0.00 C ATOM 362 O ASP A 24 -3.005 -8.789 0.560 1.00 0.00 O ATOM 363 CB ASP A 24 -3.962 -7.490 3.300 1.00 0.00 C ATOM 364 CG ASP A 24 -4.359 -8.706 4.122 1.00 0.00 C ATOM 365 OD1 ASP A 24 -5.572 -8.893 4.362 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.462 -9.473 4.528 1.00 0.00 O ATOM 0 H ASP A 24 -6.396 -7.527 2.881 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.194 -6.633 1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.875 -7.441 3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.291 -6.587 3.814 1.00 0.00 H new ATOM 371 N GLU A 25 -4.938 -9.790 1.159 1.00 0.00 N ATOM 372 CA GLU A 25 -4.658 -11.045 0.464 1.00 0.00 C ATOM 373 C GLU A 25 -5.373 -11.104 -0.890 1.00 0.00 C ATOM 374 O GLU A 25 -5.364 -12.141 -1.558 1.00 0.00 O ATOM 375 CB GLU A 25 -5.102 -12.237 1.325 1.00 0.00 C ATOM 376 CG GLU A 25 -4.436 -12.307 2.695 1.00 0.00 C ATOM 377 CD GLU A 25 -4.873 -13.528 3.492 1.00 0.00 C ATOM 378 OE1 GLU A 25 -5.944 -13.475 4.136 1.00 0.00 O ATOM 379 OE2 GLU A 25 -4.155 -14.556 3.465 1.00 0.00 O ATOM 0 H GLU A 25 -5.829 -9.779 1.656 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.583 -11.095 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.182 -12.188 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.890 -13.159 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.354 -12.327 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.674 -11.405 3.258 1.00 0.00 H new ATOM 386 N ALA A 26 -5.982 -9.993 -1.296 1.00 0.00 N ATOM 387 CA ALA A 26 -6.772 -9.953 -2.528 1.00 0.00 C ATOM 388 C ALA A 26 -6.096 -9.092 -3.593 1.00 0.00 C ATOM 389 O ALA A 26 -5.189 -8.309 -3.297 1.00 0.00 O ATOM 390 CB ALA A 26 -8.179 -9.442 -2.237 1.00 0.00 C ATOM 0 H ALA A 26 -5.945 -9.107 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.841 -10.968 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.756 -9.417 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.667 -10.106 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.122 -8.437 -1.818 1.00 0.00 H new ATOM 396 N ASP A 27 -6.551 -9.242 -4.835 1.00 0.00 N ATOM 397 CA ASP A 27 -5.982 -8.514 -5.965 1.00 0.00 C ATOM 398 C ASP A 27 -6.377 -7.039 -5.913 1.00 0.00 C ATOM 399 O ASP A 27 -7.454 -6.658 -6.376 1.00 0.00 O ATOM 400 CB ASP A 27 -6.446 -9.128 -7.297 1.00 0.00 C ATOM 401 CG ASP A 27 -5.987 -10.565 -7.483 1.00 0.00 C ATOM 402 OD1 ASP A 27 -4.888 -10.780 -8.034 1.00 0.00 O ATOM 403 OD2 ASP A 27 -6.732 -11.491 -7.097 1.00 0.00 O ATOM 0 H ASP A 27 -7.318 -9.866 -5.085 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.897 -8.591 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.534 -9.091 -7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.068 -8.523 -8.121 1.00 0.00 H new ATOM 408 N LEU A 28 -5.501 -6.222 -5.334 1.00 0.00 N ATOM 409 CA LEU A 28 -5.726 -4.778 -5.226 1.00 0.00 C ATOM 410 C LEU A 28 -5.920 -4.151 -6.606 1.00 0.00 C ATOM 411 O LEU A 28 -6.881 -3.419 -6.849 1.00 0.00 O ATOM 412 CB LEU A 28 -4.528 -4.106 -4.541 1.00 0.00 C ATOM 413 CG LEU A 28 -4.092 -4.718 -3.202 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.860 -3.999 -2.666 1.00 0.00 C ATOM 415 CD2 LEU A 28 -5.229 -4.676 -2.183 1.00 0.00 C ATOM 0 H LEU A 28 -4.620 -6.537 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.628 -4.625 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.680 -4.135 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.770 -3.056 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.836 -5.764 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.563 -4.444 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.043 -4.093 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.091 -2.944 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.893 -5.116 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.527 -3.641 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.080 -5.241 -2.564 1.00 0.00 H new ATOM 427 N TYR A 29 -4.990 -4.459 -7.507 1.00 0.00 N ATOM 428 CA TYR A 29 -4.985 -3.892 -8.856 1.00 0.00 C ATOM 429 C TYR A 29 -6.253 -4.252 -9.631 1.00 0.00 C ATOM 430 O TYR A 29 -6.624 -3.553 -10.574 1.00 0.00 O ATOM 431 CB TYR A 29 -3.728 -4.340 -9.623 1.00 0.00 C ATOM 432 CG TYR A 29 -3.451 -5.835 -9.553 1.00 0.00 C ATOM 433 CD1 TYR A 29 -2.700 -6.371 -8.510 1.00 0.00 C ATOM 434 CD2 TYR A 29 -3.931 -6.706 -10.526 1.00 0.00 C ATOM 435 CE1 TYR A 29 -2.439 -7.725 -8.439 1.00 0.00 C ATOM 436 CE2 TYR A 29 -3.673 -8.063 -10.461 1.00 0.00 C ATOM 437 CZ TYR A 29 -2.926 -8.566 -9.416 1.00 0.00 C ATOM 438 OH TYR A 29 -2.673 -9.917 -9.341 1.00 0.00 O ATOM 0 H TYR A 29 -4.222 -5.105 -7.325 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.966 -2.807 -8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.832 -4.050 -10.669 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.865 -3.804 -9.228 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.315 -5.716 -7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.515 -6.316 -11.346 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.856 -8.123 -7.622 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.054 -8.725 -11.224 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.355 -10.347 -8.783 1.00 0.00 H new ATOM 448 N ALA A 30 -6.924 -5.325 -9.221 1.00 0.00 N ATOM 449 CA ALA A 30 -8.161 -5.749 -9.872 1.00 0.00 C ATOM 450 C ALA A 30 -9.278 -4.740 -9.608 1.00 0.00 C ATOM 451 O ALA A 30 -10.143 -4.521 -10.456 1.00 0.00 O ATOM 452 CB ALA A 30 -8.565 -7.138 -9.392 1.00 0.00 C ATOM 0 H ALA A 30 -6.633 -5.916 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.989 -5.794 -10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.489 -7.439 -9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.776 -7.850 -9.633 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.720 -7.119 -8.313 1.00 0.00 H new ATOM 458 N ALA A 31 -9.235 -4.114 -8.430 1.00 0.00 N ATOM 459 CA ALA A 31 -10.202 -3.080 -8.063 1.00 0.00 C ATOM 460 C ALA A 31 -9.962 -1.807 -8.871 1.00 0.00 C ATOM 461 O ALA A 31 -10.791 -0.896 -8.889 1.00 0.00 O ATOM 462 CB ALA A 31 -10.116 -2.787 -6.568 1.00 0.00 C ATOM 0 H ALA A 31 -8.537 -4.307 -7.712 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.203 -3.445 -8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.840 -2.016 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.334 -3.695 -6.006 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.112 -2.440 -6.322 1.00 0.00 H new ATOM 468 N GLY A 32 -8.803 -1.749 -9.517 1.00 0.00 N ATOM 469 CA GLY A 32 -8.480 -0.633 -10.392 1.00 0.00 C ATOM 470 C GLY A 32 -7.291 0.174 -9.907 1.00 0.00 C ATOM 471 O GLY A 32 -7.037 1.276 -10.407 1.00 0.00 O ATOM 0 H GLY A 32 -8.075 -2.460 -9.450 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.272 -1.011 -11.393 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.348 0.021 -10.473 1.00 0.00 H new ATOM 475 N LEU A 33 -6.561 -0.369 -8.931 1.00 0.00 N ATOM 476 CA LEU A 33 -5.389 0.306 -8.379 1.00 0.00 C ATOM 477 C LEU A 33 -4.353 0.545 -9.476 1.00 0.00 C ATOM 478 O LEU A 33 -3.757 -0.399 -9.997 1.00 0.00 O ATOM 479 CB LEU A 33 -4.776 -0.519 -7.237 1.00 0.00 C ATOM 480 CG LEU A 33 -3.582 0.137 -6.519 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.996 1.457 -5.872 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.986 -0.811 -5.479 1.00 0.00 C ATOM 0 H LEU A 33 -6.762 -1.275 -8.508 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.703 1.269 -7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.553 -0.724 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.455 -1.480 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.815 0.350 -7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.136 1.902 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.362 2.139 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.786 1.273 -5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.144 -0.326 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.745 -1.063 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.643 -1.721 -5.971 1.00 0.00 H new ATOM 494 N SER A 34 -4.155 1.809 -9.828 1.00 0.00 N ATOM 495 CA SER A 34 -3.249 2.182 -10.908 1.00 0.00 C ATOM 496 C SER A 34 -1.870 2.539 -10.355 1.00 0.00 C ATOM 497 O SER A 34 -1.698 2.691 -9.140 1.00 0.00 O ATOM 498 CB SER A 34 -3.840 3.368 -11.677 1.00 0.00 C ATOM 499 OG SER A 34 -5.183 3.103 -12.064 1.00 0.00 O ATOM 0 H SER A 34 -4.614 2.600 -9.377 1.00 0.00 H new ATOM 0 HA SER A 34 -3.131 1.335 -11.584 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.806 4.263 -11.056 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.236 3.571 -12.561 1.00 0.00 H new ATOM 0 HG SER A 34 -5.541 3.874 -12.552 1.00 0.00 H new ATOM 505 N SER A 35 -0.900 2.673 -11.253 1.00 0.00 N ATOM 506 CA SER A 35 0.471 3.014 -10.886 1.00 0.00 C ATOM 507 C SER A 35 0.515 4.295 -10.051 1.00 0.00 C ATOM 508 O SER A 35 1.055 4.309 -8.945 1.00 0.00 O ATOM 509 CB SER A 35 1.314 3.172 -12.156 1.00 0.00 C ATOM 510 OG SER A 35 0.672 4.037 -13.080 1.00 0.00 O ATOM 0 H SER A 35 -1.041 2.549 -12.255 1.00 0.00 H new ATOM 0 HA SER A 35 0.882 2.209 -10.277 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.296 3.570 -11.900 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.475 2.197 -12.615 1.00 0.00 H new ATOM 0 HG SER A 35 1.226 4.127 -13.883 1.00 0.00 H new ATOM 516 N PHE A 36 -0.075 5.360 -10.584 1.00 0.00 N ATOM 517 CA PHE A 36 -0.111 6.650 -9.898 1.00 0.00 C ATOM 518 C PHE A 36 -0.819 6.531 -8.545 1.00 0.00 C ATOM 519 O PHE A 36 -0.356 7.074 -7.539 1.00 0.00 O ATOM 520 CB PHE A 36 -0.813 7.697 -10.775 1.00 0.00 C ATOM 521 CG PHE A 36 -0.189 7.857 -12.141 1.00 0.00 C ATOM 522 CD1 PHE A 36 1.024 8.514 -12.293 1.00 0.00 C ATOM 523 CD2 PHE A 36 -0.817 7.351 -13.273 1.00 0.00 C ATOM 524 CE1 PHE A 36 1.596 8.664 -13.542 1.00 0.00 C ATOM 525 CE2 PHE A 36 -0.248 7.498 -14.524 1.00 0.00 C ATOM 526 CZ PHE A 36 0.960 8.156 -14.658 1.00 0.00 C ATOM 0 H PHE A 36 -0.537 5.356 -11.493 1.00 0.00 H new ATOM 0 HA PHE A 36 0.915 6.970 -9.718 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.860 7.417 -10.893 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.796 8.659 -10.262 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.527 8.913 -11.425 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.761 6.837 -13.174 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.540 9.178 -13.646 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.746 7.099 -15.395 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.406 8.273 -15.634 1.00 0.00 H new ATOM 536 N ALA A 37 -1.928 5.795 -8.527 1.00 0.00 N ATOM 537 CA ALA A 37 -2.725 5.624 -7.312 1.00 0.00 C ATOM 538 C ALA A 37 -1.933 4.902 -6.221 1.00 0.00 C ATOM 539 O ALA A 37 -2.081 5.202 -5.035 1.00 0.00 O ATOM 540 CB ALA A 37 -4.012 4.867 -7.626 1.00 0.00 C ATOM 0 H ALA A 37 -2.297 5.306 -9.342 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.980 6.615 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.595 4.747 -6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.594 5.427 -8.358 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.767 3.886 -8.032 1.00 0.00 H new ATOM 546 N SER A 38 -1.101 3.947 -6.628 1.00 0.00 N ATOM 547 CA SER A 38 -0.307 3.167 -5.684 1.00 0.00 C ATOM 548 C SER A 38 0.889 3.970 -5.168 1.00 0.00 C ATOM 549 O SER A 38 1.079 4.099 -3.962 1.00 0.00 O ATOM 550 CB SER A 38 0.148 1.849 -6.326 1.00 0.00 C ATOM 551 OG SER A 38 0.745 2.070 -7.592 1.00 0.00 O ATOM 0 H SER A 38 -0.959 3.695 -7.606 1.00 0.00 H new ATOM 0 HA SER A 38 -0.936 2.931 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.859 1.349 -5.669 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.707 1.182 -6.437 1.00 0.00 H new ATOM 0 HG SER A 38 0.713 3.026 -7.807 1.00 0.00 H new ATOM 557 N VAL A 39 1.685 4.528 -6.078 1.00 0.00 N ATOM 558 CA VAL A 39 2.875 5.289 -5.683 1.00 0.00 C ATOM 559 C VAL A 39 2.505 6.451 -4.753 1.00 0.00 C ATOM 560 O VAL A 39 3.287 6.836 -3.880 1.00 0.00 O ATOM 561 CB VAL A 39 3.657 5.833 -6.909 1.00 0.00 C ATOM 562 CG1 VAL A 39 4.130 4.685 -7.802 1.00 0.00 C ATOM 563 CG2 VAL A 39 2.815 6.829 -7.703 1.00 0.00 C ATOM 0 H VAL A 39 1.533 4.470 -7.085 1.00 0.00 H new ATOM 0 HA VAL A 39 3.523 4.594 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 39 4.536 6.362 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.676 5.089 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.784 4.026 -7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.267 4.121 -8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.389 7.193 -8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.909 6.338 -8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.545 7.669 -7.063 1.00 0.00 H new ATOM 573 N GLN A 40 1.297 6.982 -4.930 1.00 0.00 N ATOM 574 CA GLN A 40 0.812 8.097 -4.120 1.00 0.00 C ATOM 575 C GLN A 40 0.633 7.678 -2.657 1.00 0.00 C ATOM 576 O GLN A 40 0.834 8.486 -1.744 1.00 0.00 O ATOM 577 CB GLN A 40 -0.513 8.625 -4.692 1.00 0.00 C ATOM 578 CG GLN A 40 -1.058 9.857 -3.973 1.00 0.00 C ATOM 579 CD GLN A 40 -2.344 10.386 -4.595 1.00 0.00 C ATOM 580 OE1 GLN A 40 -2.568 10.258 -5.800 1.00 0.00 O ATOM 581 NE2 GLN A 40 -3.196 10.986 -3.778 1.00 0.00 N ATOM 0 H GLN A 40 0.633 6.655 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 40 1.556 8.893 -4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.371 8.866 -5.745 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.258 7.831 -4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.241 9.610 -2.927 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.303 10.643 -3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.976 11.073 -2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.072 11.361 -4.141 1.00 0.00 H new ATOM 590 N LEU A 41 0.285 6.407 -2.435 1.00 0.00 N ATOM 591 CA LEU A 41 0.043 5.903 -1.081 1.00 0.00 C ATOM 592 C LEU A 41 1.322 6.003 -0.250 1.00 0.00 C ATOM 593 O LEU A 41 1.276 6.184 0.965 1.00 0.00 O ATOM 594 CB LEU A 41 -0.483 4.444 -1.119 1.00 0.00 C ATOM 595 CG LEU A 41 0.580 3.312 -1.149 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.992 2.895 0.264 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.073 2.099 -1.929 1.00 0.00 C ATOM 0 H LEU A 41 0.165 5.712 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.725 6.518 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.118 4.290 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.118 4.336 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 41 1.458 3.709 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.737 2.101 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.415 3.752 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.118 2.534 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.838 1.323 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.831 1.715 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.150 2.393 -2.954 1.00 0.00 H new ATOM 609 N MET A 42 2.465 5.910 -0.925 1.00 0.00 N ATOM 610 CA MET A 42 3.759 5.918 -0.252 1.00 0.00 C ATOM 611 C MET A 42 4.027 7.280 0.379 1.00 0.00 C ATOM 612 O MET A 42 4.518 7.368 1.505 1.00 0.00 O ATOM 613 CB MET A 42 4.881 5.572 -1.240 1.00 0.00 C ATOM 614 CG MET A 42 4.637 4.290 -2.024 1.00 0.00 C ATOM 615 SD MET A 42 6.066 3.792 -3.005 1.00 0.00 S ATOM 616 CE MET A 42 6.349 5.260 -3.995 1.00 0.00 C ATOM 0 H MET A 42 2.520 5.828 -1.940 1.00 0.00 H new ATOM 0 HA MET A 42 3.737 5.164 0.535 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.002 6.398 -1.941 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.819 5.479 -0.692 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.380 3.489 -1.331 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.780 4.429 -2.683 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.015 5.017 -4.823 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.399 5.623 -4.387 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.805 6.033 -3.377 1.00 0.00 H new ATOM 626 N LEU A 43 3.670 8.336 -0.349 1.00 0.00 N ATOM 627 CA LEU A 43 3.926 9.706 0.091 1.00 0.00 C ATOM 628 C LEU A 43 3.264 9.977 1.441 1.00 0.00 C ATOM 629 O LEU A 43 3.873 10.564 2.338 1.00 0.00 O ATOM 630 CB LEU A 43 3.416 10.703 -0.959 1.00 0.00 C ATOM 631 CG LEU A 43 3.995 10.517 -2.372 1.00 0.00 C ATOM 632 CD1 LEU A 43 3.412 11.547 -3.336 1.00 0.00 C ATOM 633 CD2 LEU A 43 5.520 10.595 -2.349 1.00 0.00 C ATOM 0 H LEU A 43 3.200 8.268 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 43 5.002 9.832 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.330 10.624 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.645 11.713 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 43 3.714 9.525 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.836 11.397 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.329 11.430 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.654 12.551 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.906 10.461 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.829 11.569 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.915 9.811 -1.702 1.00 0.00 H new ATOM 645 N GLY A 44 2.019 9.527 1.585 1.00 0.00 N ATOM 646 CA GLY A 44 1.302 9.712 2.833 1.00 0.00 C ATOM 647 C GLY A 44 1.755 8.733 3.900 1.00 0.00 C ATOM 648 O GLY A 44 1.780 9.055 5.086 1.00 0.00 O ATOM 0 H GLY A 44 1.496 9.038 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.452 10.731 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.233 9.589 2.659 1.00 0.00 H new ATOM 652 N ILE A 45 2.117 7.528 3.471 1.00 0.00 N ATOM 653 CA ILE A 45 2.573 6.488 4.389 1.00 0.00 C ATOM 654 C ILE A 45 3.919 6.865 5.018 1.00 0.00 C ATOM 655 O ILE A 45 4.222 6.452 6.143 1.00 0.00 O ATOM 656 CB ILE A 45 2.625 5.096 3.680 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.314 4.323 3.935 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.839 4.270 4.100 1.00 0.00 C ATOM 659 CD1 ILE A 45 1.039 4.034 5.398 1.00 0.00 C ATOM 0 H ILE A 45 2.104 7.246 2.491 1.00 0.00 H new ATOM 0 HA ILE A 45 1.850 6.406 5.200 1.00 0.00 H new ATOM 0 HB ILE A 45 2.730 5.277 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.482 4.896 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.349 3.380 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.826 3.313 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.752 4.809 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.807 4.097 5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.100 3.488 5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.850 3.433 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.969 4.973 5.947 1.00 0.00 H new ATOM 671 N GLU A 46 4.704 7.675 4.306 1.00 0.00 N ATOM 672 CA GLU A 46 5.971 8.176 4.837 1.00 0.00 C ATOM 673 C GLU A 46 5.737 8.926 6.147 1.00 0.00 C ATOM 674 O GLU A 46 6.309 8.589 7.184 1.00 0.00 O ATOM 675 CB GLU A 46 6.647 9.115 3.828 1.00 0.00 C ATOM 676 CG GLU A 46 8.005 9.637 4.294 1.00 0.00 C ATOM 677 CD GLU A 46 8.552 10.747 3.412 1.00 0.00 C ATOM 678 OE1 GLU A 46 8.268 11.930 3.699 1.00 0.00 O ATOM 679 OE2 GLU A 46 9.279 10.452 2.442 1.00 0.00 O ATOM 0 H GLU A 46 4.485 7.997 3.363 1.00 0.00 H new ATOM 0 HA GLU A 46 6.622 7.321 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.775 8.588 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.988 9.962 3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.915 10.005 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.717 8.812 4.313 1.00 0.00 H new ATOM 686 N GLU A 47 4.864 9.928 6.096 1.00 0.00 N ATOM 687 CA GLU A 47 4.546 10.729 7.273 1.00 0.00 C ATOM 688 C GLU A 47 3.750 9.904 8.281 1.00 0.00 C ATOM 689 O GLU A 47 3.833 10.136 9.488 1.00 0.00 O ATOM 690 CB GLU A 47 3.779 12.006 6.886 1.00 0.00 C ATOM 691 CG GLU A 47 2.492 11.755 6.110 1.00 0.00 C ATOM 692 CD GLU A 47 1.736 13.036 5.791 1.00 0.00 C ATOM 693 OE1 GLU A 47 2.083 13.708 4.794 1.00 0.00 O ATOM 694 OE2 GLU A 47 0.793 13.379 6.536 1.00 0.00 O ATOM 0 H GLU A 47 4.364 10.204 5.251 1.00 0.00 H new ATOM 0 HA GLU A 47 5.484 11.033 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.540 12.561 7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.432 12.641 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.729 11.237 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.848 11.093 6.688 1.00 0.00 H new ATOM 701 N ALA A 48 2.979 8.942 7.772 1.00 0.00 N ATOM 702 CA ALA A 48 2.099 8.129 8.604 1.00 0.00 C ATOM 703 C ALA A 48 2.841 7.479 9.775 1.00 0.00 C ATOM 704 O ALA A 48 2.395 7.589 10.918 1.00 0.00 O ATOM 705 CB ALA A 48 1.406 7.066 7.761 1.00 0.00 C ATOM 0 H ALA A 48 2.948 8.708 6.780 1.00 0.00 H new ATOM 0 HA ALA A 48 1.350 8.797 9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.753 6.467 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.814 7.548 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.155 6.421 7.301 1.00 0.00 H new ATOM 711 N PHE A 49 3.969 6.804 9.517 1.00 0.00 N ATOM 712 CA PHE A 49 4.714 6.174 10.616 1.00 0.00 C ATOM 713 C PHE A 49 6.201 6.540 10.636 1.00 0.00 C ATOM 714 O PHE A 49 6.769 6.700 11.718 1.00 0.00 O ATOM 715 CB PHE A 49 4.527 4.645 10.608 1.00 0.00 C ATOM 716 CG PHE A 49 5.033 3.942 9.371 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.358 3.541 9.273 1.00 0.00 C ATOM 718 CD2 PHE A 49 4.176 3.661 8.316 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.818 2.884 8.150 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.632 3.001 7.193 1.00 0.00 C ATOM 721 CZ PHE A 49 5.954 2.613 7.109 1.00 0.00 C ATOM 0 H PHE A 49 4.376 6.682 8.590 1.00 0.00 H new ATOM 0 HA PHE A 49 4.289 6.577 11.535 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.036 4.228 11.477 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.466 4.424 10.724 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.038 3.746 10.086 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.141 3.962 8.375 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.853 2.582 8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.954 2.788 6.380 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.312 2.098 6.230 1.00 0.00 H new ATOM 731 N ASP A 50 6.831 6.719 9.465 1.00 0.00 N ATOM 732 CA ASP A 50 8.270 7.035 9.423 1.00 0.00 C ATOM 733 C ASP A 50 8.768 7.229 7.987 1.00 0.00 C ATOM 734 O ASP A 50 9.140 8.339 7.603 1.00 0.00 O ATOM 735 CB ASP A 50 9.099 5.938 10.119 1.00 0.00 C ATOM 736 CG ASP A 50 10.514 6.396 10.461 1.00 0.00 C ATOM 737 OD1 ASP A 50 10.677 7.131 11.462 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.462 6.036 9.738 1.00 0.00 O ATOM 0 H ASP A 50 6.380 6.653 8.552 1.00 0.00 H new ATOM 0 HA ASP A 50 8.403 7.974 9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.591 5.629 11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.151 5.063 9.472 1.00 0.00 H new ATOM 743 N ILE A 51 8.770 6.154 7.191 1.00 0.00 N ATOM 744 CA ILE A 51 9.279 6.214 5.812 1.00 0.00 C ATOM 745 C ILE A 51 8.329 5.531 4.831 1.00 0.00 C ATOM 746 O ILE A 51 7.355 4.889 5.231 1.00 0.00 O ATOM 747 CB ILE A 51 10.695 5.573 5.645 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.664 4.033 5.799 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.698 6.191 6.612 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.262 3.528 7.173 1.00 0.00 C ATOM 0 H ILE A 51 8.427 5.236 7.474 1.00 0.00 H new ATOM 0 HA ILE A 51 9.353 7.278 5.589 1.00 0.00 H new ATOM 0 HB ILE A 51 11.019 5.790 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.972 3.624 5.063 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.652 3.640 5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.673 5.725 6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.776 7.261 6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.363 6.030 7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.271 2.438 7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.966 3.900 7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.260 3.883 7.412 1.00 0.00 H new ATOM 762 N GLU A 52 8.635 5.683 3.546 1.00 0.00 N ATOM 763 CA GLU A 52 7.886 5.044 2.467 1.00 0.00 C ATOM 764 C GLU A 52 8.711 3.927 1.827 1.00 0.00 C ATOM 765 O GLU A 52 9.909 3.791 2.097 1.00 0.00 O ATOM 766 CB GLU A 52 7.447 6.077 1.405 1.00 0.00 C ATOM 767 CG GLU A 52 8.368 7.290 1.252 1.00 0.00 C ATOM 768 CD GLU A 52 9.812 6.937 0.929 1.00 0.00 C ATOM 769 OE1 GLU A 52 10.138 6.744 -0.257 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.637 6.862 1.866 1.00 0.00 O ATOM 0 H GLU A 52 9.414 6.256 3.221 1.00 0.00 H new ATOM 0 HA GLU A 52 6.986 4.604 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.373 5.574 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.447 6.430 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.977 7.932 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.345 7.869 2.175 1.00 0.00 H new ATOM 777 N PHE A 53 8.054 3.122 0.996 1.00 0.00 N ATOM 778 CA PHE A 53 8.701 1.994 0.335 1.00 0.00 C ATOM 779 C PHE A 53 9.887 2.473 -0.505 1.00 0.00 C ATOM 780 O PHE A 53 9.736 3.357 -1.349 1.00 0.00 O ATOM 781 CB PHE A 53 7.694 1.249 -0.551 1.00 0.00 C ATOM 782 CG PHE A 53 6.454 0.809 0.186 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.551 0.118 1.386 1.00 0.00 C ATOM 784 CD2 PHE A 53 5.194 1.095 -0.316 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.417 -0.278 2.068 1.00 0.00 C ATOM 786 CE2 PHE A 53 4.056 0.702 0.363 1.00 0.00 C ATOM 787 CZ PHE A 53 4.168 0.013 1.556 1.00 0.00 C ATOM 0 H PHE A 53 7.067 3.232 0.764 1.00 0.00 H new ATOM 0 HA PHE A 53 9.070 1.311 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.404 1.895 -1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.180 0.374 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.525 -0.113 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.100 1.631 -1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.507 -0.815 3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.080 0.933 -0.038 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.280 -0.297 2.087 1.00 0.00 H new ATOM 797 N PRO A 54 11.083 1.896 -0.280 1.00 0.00 N ATOM 798 CA PRO A 54 12.306 2.317 -0.971 1.00 0.00 C ATOM 799 C PRO A 54 12.306 1.921 -2.451 1.00 0.00 C ATOM 800 O PRO A 54 11.712 0.905 -2.831 1.00 0.00 O ATOM 801 CB PRO A 54 13.412 1.580 -0.204 1.00 0.00 C ATOM 802 CG PRO A 54 12.742 0.360 0.327 1.00 0.00 C ATOM 803 CD PRO A 54 11.335 0.786 0.661 1.00 0.00 C ATOM 0 HA PRO A 54 12.426 3.400 -0.976 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.246 1.323 -0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.815 2.195 0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.744 -0.442 -0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.258 -0.018 1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.624 -0.029 0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.248 1.110 1.698 1.00 0.00 H new ATOM 811 N ASP A 55 12.995 2.724 -3.267 1.00 0.00 N ATOM 812 CA ASP A 55 13.094 2.497 -4.717 1.00 0.00 C ATOM 813 C ASP A 55 13.457 1.050 -5.038 1.00 0.00 C ATOM 814 O ASP A 55 13.037 0.501 -6.060 1.00 0.00 O ATOM 815 CB ASP A 55 14.143 3.439 -5.322 1.00 0.00 C ATOM 816 CG ASP A 55 14.403 3.165 -6.798 1.00 0.00 C ATOM 817 OD1 ASP A 55 13.622 3.645 -7.646 1.00 0.00 O ATOM 818 OD2 ASP A 55 15.403 2.481 -7.118 1.00 0.00 O ATOM 0 H ASP A 55 13.500 3.549 -2.944 1.00 0.00 H new ATOM 0 HA ASP A 55 12.116 2.703 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.811 4.470 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 55 15.077 3.338 -4.769 1.00 0.00 H new ATOM 823 N ASN A 56 14.225 0.443 -4.142 1.00 0.00 N ATOM 824 CA ASN A 56 14.698 -0.928 -4.311 1.00 0.00 C ATOM 825 C ASN A 56 13.547 -1.885 -4.632 1.00 0.00 C ATOM 826 O ASN A 56 13.664 -2.728 -5.520 1.00 0.00 O ATOM 827 CB ASN A 56 15.425 -1.401 -3.041 1.00 0.00 C ATOM 828 CG ASN A 56 16.615 -0.524 -2.682 1.00 0.00 C ATOM 829 OD1 ASN A 56 17.253 0.065 -3.552 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.918 -0.430 -1.396 1.00 0.00 N ATOM 0 H ASN A 56 14.538 0.885 -3.278 1.00 0.00 H new ATOM 0 HA ASN A 56 15.391 -0.935 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.722 -1.411 -2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.765 -2.427 -3.183 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.705 0.147 -1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.364 -0.934 -0.703 1.00 0.00 H new ATOM 837 N LEU A 57 12.424 -1.736 -3.929 1.00 0.00 N ATOM 838 CA LEU A 57 11.323 -2.695 -4.054 1.00 0.00 C ATOM 839 C LEU A 57 10.097 -2.088 -4.737 1.00 0.00 C ATOM 840 O LEU A 57 9.042 -2.719 -4.783 1.00 0.00 O ATOM 841 CB LEU A 57 10.960 -3.273 -2.668 1.00 0.00 C ATOM 842 CG LEU A 57 10.500 -2.265 -1.589 1.00 0.00 C ATOM 843 CD1 LEU A 57 9.030 -1.879 -1.769 1.00 0.00 C ATOM 844 CD2 LEU A 57 10.735 -2.831 -0.189 1.00 0.00 C ATOM 0 H LEU A 57 12.252 -0.972 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 57 11.665 -3.507 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.168 -4.009 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.829 -3.807 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 57 11.098 -1.361 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.742 -1.170 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.891 -1.421 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.408 -2.771 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.405 -2.107 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.171 -3.756 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.797 -3.034 -0.052 1.00 0.00 H new ATOM 856 N LEU A 58 10.229 -0.876 -5.276 1.00 0.00 N ATOM 857 CA LEU A 58 9.112 -0.244 -5.982 1.00 0.00 C ATOM 858 C LEU A 58 8.786 -1.025 -7.253 1.00 0.00 C ATOM 859 O LEU A 58 9.692 -1.525 -7.924 1.00 0.00 O ATOM 860 CB LEU A 58 9.410 1.224 -6.319 1.00 0.00 C ATOM 861 CG LEU A 58 9.598 2.153 -5.109 1.00 0.00 C ATOM 862 CD1 LEU A 58 9.766 3.602 -5.560 1.00 0.00 C ATOM 863 CD2 LEU A 58 8.430 2.018 -4.136 1.00 0.00 C ATOM 0 H LEU A 58 11.083 -0.319 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 58 8.247 -0.259 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.312 1.263 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.595 1.612 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 58 10.508 1.853 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.898 4.242 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.641 3.683 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.879 3.917 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.584 2.685 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.502 2.284 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.368 0.989 -3.782 1.00 0.00 H new ATOM 875 N ASN A 59 7.492 -1.124 -7.568 1.00 0.00 N ATOM 876 CA ASN A 59 7.014 -1.950 -8.680 1.00 0.00 C ATOM 877 C ASN A 59 7.483 -3.390 -8.497 1.00 0.00 C ATOM 878 O ASN A 59 8.461 -3.827 -9.109 1.00 0.00 O ATOM 879 CB ASN A 59 7.473 -1.394 -10.042 1.00 0.00 C ATOM 880 CG ASN A 59 6.883 -0.027 -10.364 1.00 0.00 C ATOM 881 OD1 ASN A 59 7.509 0.784 -11.047 1.00 0.00 O ATOM 882 ND2 ASN A 59 5.668 0.238 -9.899 1.00 0.00 N ATOM 0 H ASN A 59 6.751 -0.638 -7.064 1.00 0.00 H new ATOM 0 HA ASN A 59 5.924 -1.927 -8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.561 -1.324 -10.050 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.193 -2.097 -10.827 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.227 1.135 -10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.175 -0.455 -9.336 1.00 0.00 H new ATOM 889 N ARG A 60 6.786 -4.116 -7.631 1.00 0.00 N ATOM 890 CA ARG A 60 7.212 -5.448 -7.221 1.00 0.00 C ATOM 891 C ARG A 60 5.996 -6.271 -6.804 1.00 0.00 C ATOM 892 O ARG A 60 4.944 -5.708 -6.484 1.00 0.00 O ATOM 893 CB ARG A 60 8.195 -5.325 -6.045 1.00 0.00 C ATOM 894 CG ARG A 60 9.159 -6.497 -5.886 1.00 0.00 C ATOM 895 CD ARG A 60 10.133 -6.584 -7.056 1.00 0.00 C ATOM 896 NE ARG A 60 11.265 -7.462 -6.759 1.00 0.00 N ATOM 897 CZ ARG A 60 12.154 -7.881 -7.659 1.00 0.00 C ATOM 898 NH1 ARG A 60 12.024 -7.551 -8.940 1.00 0.00 N ATOM 899 NH2 ARG A 60 13.176 -8.631 -7.271 1.00 0.00 N ATOM 0 H ARG A 60 5.918 -3.802 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 60 7.707 -5.948 -8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.775 -4.411 -6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.624 -5.216 -5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.716 -6.387 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.594 -7.426 -5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.609 -6.953 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.501 -5.587 -7.297 1.00 0.00 H new ATOM 0 HE ARG A 60 11.382 -7.775 -5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.239 -6.973 -9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.709 -7.876 -9.622 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.279 -8.884 -6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.860 -8.955 -7.955 1.00 0.00 H new ATOM 913 N LYS A 61 6.154 -7.592 -6.786 1.00 0.00 N ATOM 914 CA LYS A 61 5.086 -8.509 -6.375 1.00 0.00 C ATOM 915 C LYS A 61 4.542 -8.135 -4.995 1.00 0.00 C ATOM 916 O LYS A 61 3.377 -8.382 -4.686 1.00 0.00 O ATOM 917 CB LYS A 61 5.613 -9.950 -6.339 1.00 0.00 C ATOM 918 CG LYS A 61 6.787 -10.150 -5.381 1.00 0.00 C ATOM 919 CD LYS A 61 7.223 -11.612 -5.280 1.00 0.00 C ATOM 920 CE LYS A 61 6.184 -12.487 -4.577 1.00 0.00 C ATOM 921 NZ LYS A 61 4.974 -12.729 -5.410 1.00 0.00 N ATOM 0 H LYS A 61 7.021 -8.059 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 61 4.278 -8.431 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.801 -10.617 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.921 -10.240 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.630 -9.546 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.509 -9.789 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.405 -12.003 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.167 -11.669 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.638 -13.443 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.887 -12.011 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.705 -13.732 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.191 -12.139 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.180 -12.486 -6.400 1.00 0.00 H new ATOM 935 N SER A 62 5.407 -7.545 -4.177 1.00 0.00 N ATOM 936 CA SER A 62 5.053 -7.118 -2.830 1.00 0.00 C ATOM 937 C SER A 62 3.807 -6.220 -2.831 1.00 0.00 C ATOM 938 O SER A 62 2.965 -6.318 -1.942 1.00 0.00 O ATOM 939 CB SER A 62 6.247 -6.385 -2.212 1.00 0.00 C ATOM 940 OG SER A 62 7.431 -7.161 -2.335 1.00 0.00 O ATOM 0 H SER A 62 6.375 -7.349 -4.431 1.00 0.00 H new ATOM 0 HA SER A 62 4.811 -7.998 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.384 -5.423 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.049 -6.179 -1.160 1.00 0.00 H new ATOM 0 HG SER A 62 8.183 -6.676 -1.936 1.00 0.00 H new ATOM 946 N PHE A 63 3.688 -5.358 -3.840 1.00 0.00 N ATOM 947 CA PHE A 63 2.536 -4.454 -3.948 1.00 0.00 C ATOM 948 C PHE A 63 1.253 -5.223 -4.269 1.00 0.00 C ATOM 949 O PHE A 63 0.153 -4.763 -3.965 1.00 0.00 O ATOM 950 CB PHE A 63 2.790 -3.381 -5.014 1.00 0.00 C ATOM 951 CG PHE A 63 3.834 -2.369 -4.614 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.178 -2.600 -4.856 1.00 0.00 C ATOM 953 CD2 PHE A 63 3.466 -1.184 -3.986 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.133 -1.673 -4.484 1.00 0.00 C ATOM 955 CE2 PHE A 63 4.417 -0.255 -3.614 1.00 0.00 C ATOM 956 CZ PHE A 63 5.753 -0.500 -3.862 1.00 0.00 C ATOM 0 H PHE A 63 4.370 -5.264 -4.593 1.00 0.00 H new ATOM 0 HA PHE A 63 2.406 -3.967 -2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.102 -3.866 -5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.855 -2.862 -5.226 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.483 -3.515 -5.341 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.423 -0.988 -3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.177 -1.866 -4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.116 0.662 -3.130 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.499 0.224 -3.570 1.00 0.00 H new ATOM 966 N ALA A 64 1.404 -6.396 -4.875 1.00 0.00 N ATOM 967 CA ALA A 64 0.263 -7.242 -5.215 1.00 0.00 C ATOM 968 C ALA A 64 -0.133 -8.120 -4.027 1.00 0.00 C ATOM 969 O ALA A 64 -1.067 -8.916 -4.115 1.00 0.00 O ATOM 970 CB ALA A 64 0.589 -8.101 -6.433 1.00 0.00 C ATOM 0 H ALA A 64 2.309 -6.785 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.584 -6.600 -5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.269 -8.727 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.821 -7.457 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.449 -8.734 -6.212 1.00 0.00 H new ATOM 976 N SER A 65 0.589 -7.975 -2.920 1.00 0.00 N ATOM 977 CA SER A 65 0.329 -8.751 -1.713 1.00 0.00 C ATOM 978 C SER A 65 0.714 -7.944 -0.471 1.00 0.00 C ATOM 979 O SER A 65 1.875 -7.951 -0.054 1.00 0.00 O ATOM 980 CB SER A 65 1.117 -10.069 -1.759 1.00 0.00 C ATOM 981 OG SER A 65 0.769 -10.842 -2.899 1.00 0.00 O ATOM 0 H SER A 65 1.366 -7.320 -2.835 1.00 0.00 H new ATOM 0 HA SER A 65 -0.736 -8.979 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.186 -9.855 -1.775 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.920 -10.644 -0.854 1.00 0.00 H new ATOM 0 HG SER A 65 1.288 -11.673 -2.901 1.00 0.00 H new ATOM 987 N ILE A 66 -0.262 -7.247 0.114 1.00 0.00 N ATOM 988 CA ILE A 66 -0.003 -6.380 1.265 1.00 0.00 C ATOM 989 C ILE A 66 0.633 -7.166 2.410 1.00 0.00 C ATOM 990 O ILE A 66 1.614 -6.720 3.004 1.00 0.00 O ATOM 991 CB ILE A 66 -1.293 -5.682 1.767 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.898 -4.815 0.651 1.00 0.00 C ATOM 993 CG2 ILE A 66 -1.008 -4.836 3.012 1.00 0.00 C ATOM 994 CD1 ILE A 66 -3.176 -4.102 1.046 1.00 0.00 C ATOM 0 H ILE A 66 -1.236 -7.266 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 66 0.692 -5.610 0.928 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.015 -6.452 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.161 -4.073 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.099 -5.445 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.929 -4.357 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.624 -5.476 3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.268 -4.073 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.539 -3.512 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.931 -4.837 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.979 -3.444 1.892 1.00 0.00 H new ATOM 1006 N LYS A 67 0.080 -8.342 2.702 1.00 0.00 N ATOM 1007 CA LYS A 67 0.613 -9.206 3.758 1.00 0.00 C ATOM 1008 C LYS A 67 2.097 -9.521 3.527 1.00 0.00 C ATOM 1009 O LYS A 67 2.841 -9.775 4.470 1.00 0.00 O ATOM 1010 CB LYS A 67 -0.188 -10.519 3.880 1.00 0.00 C ATOM 1011 CG LYS A 67 -0.102 -11.452 2.667 1.00 0.00 C ATOM 1012 CD LYS A 67 -1.045 -11.034 1.541 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.975 -11.989 0.355 1.00 0.00 C ATOM 1014 NZ LYS A 67 -1.244 -13.395 0.747 1.00 0.00 N ATOM 0 H LYS A 67 -0.737 -8.720 2.223 1.00 0.00 H new ATOM 0 HA LYS A 67 0.514 -8.655 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.163 -11.059 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.235 -10.272 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.922 -11.464 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.340 -12.469 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.067 -10.998 1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.792 -10.027 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.698 -11.680 -0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.012 -11.924 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.857 -13.843 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.346 -13.916 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.718 -13.413 1.672 1.00 0.00 H new ATOM 1028 N ALA A 68 2.519 -9.512 2.265 1.00 0.00 N ATOM 1029 CA ALA A 68 3.908 -9.800 1.921 1.00 0.00 C ATOM 1030 C ALA A 68 4.790 -8.566 2.108 1.00 0.00 C ATOM 1031 O ALA A 68 5.877 -8.647 2.684 1.00 0.00 O ATOM 1032 CB ALA A 68 4.005 -10.317 0.488 1.00 0.00 C ATOM 0 H ALA A 68 1.920 -9.309 1.465 1.00 0.00 H new ATOM 0 HA ALA A 68 4.270 -10.575 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.047 -10.527 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.419 -11.231 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.619 -9.563 -0.198 1.00 0.00 H new ATOM 1038 N ILE A 69 4.313 -7.423 1.620 1.00 0.00 N ATOM 1039 CA ILE A 69 5.094 -6.187 1.658 1.00 0.00 C ATOM 1040 C ILE A 69 5.186 -5.632 3.082 1.00 0.00 C ATOM 1041 O ILE A 69 6.196 -5.031 3.460 1.00 0.00 O ATOM 1042 CB ILE A 69 4.516 -5.108 0.699 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.497 -3.931 0.545 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.155 -4.610 1.184 1.00 0.00 C ATOM 1045 CD1 ILE A 69 5.067 -2.906 -0.487 1.00 0.00 C ATOM 0 H ILE A 69 3.391 -7.326 1.194 1.00 0.00 H new ATOM 0 HA ILE A 69 6.098 -6.438 1.317 1.00 0.00 H new ATOM 0 HB ILE A 69 4.378 -5.572 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.610 -3.436 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.477 -4.321 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.776 -3.857 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.457 -5.446 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.260 -4.172 2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.808 -2.108 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.982 -3.385 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.102 -2.487 -0.203 1.00 0.00 H new ATOM 1057 N GLU A 70 4.138 -5.848 3.876 1.00 0.00 N ATOM 1058 CA GLU A 70 4.108 -5.353 5.250 1.00 0.00 C ATOM 1059 C GLU A 70 5.214 -6.010 6.069 1.00 0.00 C ATOM 1060 O GLU A 70 5.782 -5.396 6.968 1.00 0.00 O ATOM 1061 CB GLU A 70 2.721 -5.574 5.887 1.00 0.00 C ATOM 1062 CG GLU A 70 2.327 -7.036 6.121 1.00 0.00 C ATOM 1063 CD GLU A 70 2.836 -7.601 7.444 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.480 -7.046 8.504 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.587 -8.598 7.435 1.00 0.00 O ATOM 0 H GLU A 70 3.303 -6.360 3.592 1.00 0.00 H new ATOM 0 HA GLU A 70 4.289 -4.278 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.692 -5.051 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.969 -5.111 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.241 -7.120 6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.714 -7.643 5.303 1.00 0.00 H new ATOM 1072 N ASP A 71 5.538 -7.253 5.733 1.00 0.00 N ATOM 1073 CA ASP A 71 6.616 -7.970 6.406 1.00 0.00 C ATOM 1074 C ASP A 71 7.957 -7.336 6.055 1.00 0.00 C ATOM 1075 O ASP A 71 8.869 -7.266 6.883 1.00 0.00 O ATOM 1076 CB ASP A 71 6.602 -9.452 6.010 1.00 0.00 C ATOM 1077 CG ASP A 71 7.604 -10.278 6.802 1.00 0.00 C ATOM 1078 OD1 ASP A 71 7.346 -10.547 7.995 1.00 0.00 O ATOM 1079 OD2 ASP A 71 8.646 -10.677 6.232 1.00 0.00 O ATOM 0 H ASP A 71 5.071 -7.786 4.999 1.00 0.00 H new ATOM 0 HA ASP A 71 6.466 -7.903 7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.601 -9.856 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.822 -9.542 4.946 1.00 0.00 H new ATOM 1084 N THR A 72 8.048 -6.841 4.824 1.00 0.00 N ATOM 1085 CA THR A 72 9.264 -6.227 4.317 1.00 0.00 C ATOM 1086 C THR A 72 9.478 -4.826 4.906 1.00 0.00 C ATOM 1087 O THR A 72 10.612 -4.390 5.086 1.00 0.00 O ATOM 1088 CB THR A 72 9.225 -6.143 2.773 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.903 -7.433 2.229 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.561 -5.674 2.205 1.00 0.00 C ATOM 0 H THR A 72 7.280 -6.856 4.153 1.00 0.00 H new ATOM 0 HA THR A 72 10.099 -6.857 4.624 1.00 0.00 H new ATOM 0 HB THR A 72 8.462 -5.416 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.965 -7.643 2.419 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.498 -5.627 1.118 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.797 -4.685 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.345 -6.375 2.492 1.00 0.00 H new ATOM 1098 N VAL A 73 8.395 -4.115 5.210 1.00 0.00 N ATOM 1099 CA VAL A 73 8.525 -2.752 5.724 1.00 0.00 C ATOM 1100 C VAL A 73 9.112 -2.746 7.143 1.00 0.00 C ATOM 1101 O VAL A 73 9.791 -1.795 7.528 1.00 0.00 O ATOM 1102 CB VAL A 73 7.185 -1.963 5.688 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.182 -2.506 6.698 1.00 0.00 C ATOM 1104 CG2 VAL A 73 7.430 -0.469 5.908 1.00 0.00 C ATOM 0 H VAL A 73 7.436 -4.450 5.113 1.00 0.00 H new ATOM 0 HA VAL A 73 9.217 -2.240 5.055 1.00 0.00 H new ATOM 0 HB VAL A 73 6.751 -2.098 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.260 -1.928 6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.970 -3.551 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.598 -2.428 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.479 0.064 5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.902 -0.317 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.084 -0.088 5.123 1.00 0.00 H new ATOM 1114 N LYS A 74 8.869 -3.812 7.916 1.00 0.00 N ATOM 1115 CA LYS A 74 9.423 -3.909 9.272 1.00 0.00 C ATOM 1116 C LYS A 74 10.955 -3.938 9.250 1.00 0.00 C ATOM 1117 O LYS A 74 11.602 -3.195 9.993 1.00 0.00 O ATOM 1118 CB LYS A 74 8.886 -5.139 10.033 1.00 0.00 C ATOM 1119 CG LYS A 74 7.602 -4.871 10.827 1.00 0.00 C ATOM 1120 CD LYS A 74 6.338 -5.056 9.993 1.00 0.00 C ATOM 1121 CE LYS A 74 6.093 -6.524 9.656 1.00 0.00 C ATOM 1122 NZ LYS A 74 5.912 -7.365 10.871 1.00 0.00 N ATOM 0 H LYS A 74 8.300 -4.609 7.631 1.00 0.00 H new ATOM 0 HA LYS A 74 9.096 -3.015 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.699 -5.941 9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.656 -5.495 10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.566 -5.541 11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.628 -3.854 11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.481 -4.660 10.538 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.423 -4.480 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.207 -6.606 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.933 -6.905 9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.487 -8.276 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.836 -7.532 11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.286 -6.875 11.542 1.00 0.00 H new ATOM 1136 N LEU A 75 11.538 -4.784 8.393 1.00 0.00 N ATOM 1137 CA LEU A 75 12.997 -4.917 8.329 1.00 0.00 C ATOM 1138 C LEU A 75 13.655 -3.580 7.986 1.00 0.00 C ATOM 1139 O LEU A 75 14.799 -3.326 8.370 1.00 0.00 O ATOM 1140 CB LEU A 75 13.434 -6.047 7.365 1.00 0.00 C ATOM 1141 CG LEU A 75 12.970 -5.943 5.897 1.00 0.00 C ATOM 1142 CD1 LEU A 75 13.825 -4.956 5.098 1.00 0.00 C ATOM 1143 CD2 LEU A 75 12.979 -7.321 5.232 1.00 0.00 C ATOM 0 H LEU A 75 11.028 -5.380 7.741 1.00 0.00 H new ATOM 0 HA LEU A 75 13.345 -5.207 9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.523 -6.094 7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.071 -6.993 7.767 1.00 0.00 H new ATOM 0 HG LEU A 75 11.949 -5.561 5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.465 -4.912 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.755 -3.966 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.864 -5.286 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.649 -7.228 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.989 -7.730 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.305 -7.989 5.769 1.00 0.00 H new ATOM 1155 N ILE A 76 12.929 -2.729 7.256 1.00 0.00 N ATOM 1156 CA ILE A 76 13.403 -1.378 6.961 1.00 0.00 C ATOM 1157 C ILE A 76 13.711 -0.636 8.261 1.00 0.00 C ATOM 1158 O ILE A 76 14.767 -0.030 8.399 1.00 0.00 O ATOM 1159 CB ILE A 76 12.367 -0.558 6.144 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.033 -1.270 4.823 1.00 0.00 C ATOM 1161 CG2 ILE A 76 12.886 0.856 5.879 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.018 -0.534 3.969 1.00 0.00 C ATOM 0 H ILE A 76 12.015 -2.952 6.861 1.00 0.00 H new ATOM 0 HA ILE A 76 14.306 -1.480 6.359 1.00 0.00 H new ATOM 0 HB ILE A 76 11.452 -0.481 6.731 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.951 -1.400 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.652 -2.267 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.146 1.414 5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.066 1.361 6.828 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.817 0.802 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.834 -1.098 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.085 -0.427 4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.404 0.453 3.715 1.00 0.00 H new ATOM 1174 N LEU A 77 12.782 -0.707 9.215 1.00 0.00 N ATOM 1175 CA LEU A 77 12.955 -0.056 10.516 1.00 0.00 C ATOM 1176 C LEU A 77 14.023 -0.776 11.339 1.00 0.00 C ATOM 1177 O LEU A 77 14.722 -0.159 12.143 1.00 0.00 O ATOM 1178 CB LEU A 77 11.627 -0.020 11.300 1.00 0.00 C ATOM 1179 CG LEU A 77 10.567 0.982 10.797 1.00 0.00 C ATOM 1180 CD1 LEU A 77 11.119 2.407 10.801 1.00 0.00 C ATOM 1181 CD2 LEU A 77 10.059 0.603 9.408 1.00 0.00 C ATOM 0 H LEU A 77 11.900 -1.209 9.112 1.00 0.00 H new ATOM 0 HA LEU A 77 13.277 0.969 10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.191 -1.019 11.281 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.850 0.211 12.342 1.00 0.00 H new ATOM 0 HG LEU A 77 9.722 0.941 11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.353 3.095 10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.408 2.682 11.815 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.990 2.462 10.148 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.314 1.329 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.892 0.598 8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.608 -0.389 9.444 1.00 0.00 H new ATOM 1193 N ASP A 78 14.141 -2.082 11.117 1.00 0.00 N ATOM 1194 CA ASP A 78 15.094 -2.925 11.848 1.00 0.00 C ATOM 1195 C ASP A 78 16.531 -2.463 11.605 1.00 0.00 C ATOM 1196 O ASP A 78 17.348 -2.411 12.530 1.00 0.00 O ATOM 1197 CB ASP A 78 14.931 -4.392 11.422 1.00 0.00 C ATOM 1198 CG ASP A 78 15.841 -5.339 12.188 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.431 -5.827 13.264 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.961 -5.619 11.714 1.00 0.00 O ATOM 0 H ASP A 78 13.583 -2.588 10.429 1.00 0.00 H new ATOM 0 HA ASP A 78 14.884 -2.836 12.914 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.894 -4.694 11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.139 -4.480 10.356 1.00 0.00 H new ATOM 1205 N GLY A 79 16.824 -2.129 10.353 1.00 0.00 N ATOM 1206 CA GLY A 79 18.133 -1.608 9.986 1.00 0.00 C ATOM 1207 C GLY A 79 18.008 -0.245 9.339 1.00 0.00 C ATOM 1208 O GLY A 79 18.624 0.025 8.306 1.00 0.00 O ATOM 0 H GLY A 79 16.170 -2.211 9.574 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.763 -1.538 10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.624 -2.298 9.300 1.00 0.00 H new ATOM 1212 N LYS A 80 17.188 0.601 9.953 1.00 0.00 N ATOM 1213 CA LYS A 80 16.856 1.914 9.424 1.00 0.00 C ATOM 1214 C LYS A 80 18.043 2.873 9.517 1.00 0.00 C ATOM 1215 O LYS A 80 18.377 3.557 8.546 1.00 0.00 O ATOM 1216 CB LYS A 80 15.648 2.458 10.202 1.00 0.00 C ATOM 1217 CG LYS A 80 14.647 3.219 9.343 1.00 0.00 C ATOM 1218 CD LYS A 80 14.796 4.732 9.476 1.00 0.00 C ATOM 1219 CE LYS A 80 14.455 5.200 10.887 1.00 0.00 C ATOM 1220 NZ LYS A 80 14.669 6.660 11.060 1.00 0.00 N ATOM 0 H LYS A 80 16.732 0.390 10.841 1.00 0.00 H new ATOM 0 HA LYS A 80 16.608 1.825 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.137 1.626 10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.006 3.116 10.994 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.778 2.934 8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.635 2.930 9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.818 5.022 9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.143 5.228 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.415 4.958 11.107 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.068 4.657 11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.425 6.934 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.667 6.889 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.065 7.181 10.392 1.00 0.00 H new ATOM 1234 N GLU A 81 18.665 2.923 10.690 1.00 0.00 N ATOM 1235 CA GLU A 81 19.824 3.785 10.915 1.00 0.00 C ATOM 1236 C GLU A 81 21.016 3.312 10.091 1.00 0.00 C ATOM 1237 O GLU A 81 21.676 4.109 9.420 1.00 0.00 O ATOM 1238 CB GLU A 81 20.191 3.827 12.410 1.00 0.00 C ATOM 1239 CG GLU A 81 19.279 4.711 13.260 1.00 0.00 C ATOM 1240 CD GLU A 81 17.801 4.399 13.084 1.00 0.00 C ATOM 1241 OE1 GLU A 81 17.372 3.291 13.470 1.00 0.00 O ATOM 1242 OE2 GLU A 81 17.070 5.259 12.547 1.00 0.00 O ATOM 0 H GLU A 81 18.386 2.375 11.504 1.00 0.00 H new ATOM 0 HA GLU A 81 19.561 4.793 10.596 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.165 2.812 12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.217 4.182 12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.545 4.592 14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.455 5.756 13.003 1.00 0.00 H new ATOM 1249 N ALA A 82 21.279 2.013 10.136 1.00 0.00 N ATOM 1250 CA ALA A 82 22.391 1.430 9.392 1.00 0.00 C ATOM 1251 C ALA A 82 21.969 1.121 7.957 1.00 0.00 C ATOM 1252 O ALA A 82 21.744 -0.038 7.596 1.00 0.00 O ATOM 1253 CB ALA A 82 22.910 0.177 10.092 1.00 0.00 C ATOM 0 H ALA A 82 20.738 1.341 10.680 1.00 0.00 H new ATOM 0 HA ALA A 82 23.203 2.156 9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 82 23.739 -0.242 9.521 1.00 0.00 H new ATOM 0 HB2 ALA A 82 23.254 0.436 11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 82 22.109 -0.559 10.162 1.00 0.00 H new ATOM 1259 N ALA A 83 21.844 2.169 7.150 1.00 0.00 N ATOM 1260 CA ALA A 83 21.427 2.036 5.759 1.00 0.00 C ATOM 1261 C ALA A 83 22.176 3.043 4.885 1.00 0.00 C ATOM 1262 O ALA A 83 23.105 2.633 4.157 1.00 0.00 O ATOM 1263 CB ALA A 83 19.916 2.228 5.639 1.00 0.00 C ATOM 1264 OXT ALA A 83 21.850 4.249 4.947 1.00 0.00 O ATOM 0 H ALA A 83 22.028 3.130 7.440 1.00 0.00 H new ATOM 0 HA ALA A 83 21.671 1.033 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.618 2.126 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 83 19.405 1.474 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 83 19.646 3.221 5.998 1.00 0.00 H new TER 1270 ALA A 83