USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.8!) USER MOD Single : A 3 HIS : no HE2:sc= -5.23! C(o=-5.2!,f=-7.8!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN :FLIP amide:sc= -4.07! C(o=-4.8!,f=-4.1!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -2.6 K(o=-2.6,f=-4.6!) USER MOD Single : A 68 SER OG : rot -60:sc= 0.478 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00712 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 10.720 -5.667 -1.682 1.00 0.00 N ATOM 21 CA GLN A 2 10.412 -6.599 -2.803 1.00 0.00 C ATOM 22 C GLN A 2 9.507 -5.896 -3.816 1.00 0.00 C ATOM 23 O GLN A 2 9.605 -6.112 -5.007 1.00 0.00 O ATOM 24 CB GLN A 2 9.699 -7.837 -2.255 1.00 0.00 C ATOM 25 CG GLN A 2 10.646 -8.605 -1.330 1.00 0.00 C ATOM 26 CD GLN A 2 9.916 -9.813 -0.740 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.704 -9.885 -0.783 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.608 -10.772 -0.188 1.00 0.00 N ATOM 0 HA GLN A 2 11.339 -6.900 -3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.802 -7.542 -1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.377 -8.477 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.525 -8.933 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.998 -7.953 -0.530 1.00 0.00 H new ATOM 0 HE21 GLN A 2 11.626 -10.711 -0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.131 -11.582 0.208 1.00 0.00 H new ATOM 37 N HIS A 3 8.623 -5.056 -3.353 1.00 0.00 N ATOM 38 CA HIS A 3 7.713 -4.340 -4.290 1.00 0.00 C ATOM 39 C HIS A 3 7.074 -3.153 -3.569 1.00 0.00 C ATOM 40 O HIS A 3 6.005 -2.698 -3.926 1.00 0.00 O ATOM 41 CB HIS A 3 6.619 -5.297 -4.768 1.00 0.00 C ATOM 42 CG HIS A 3 6.577 -5.301 -6.272 1.00 0.00 C ATOM 43 ND1 HIS A 3 7.678 -5.654 -7.042 1.00 0.00 N ATOM 44 CD2 HIS A 3 5.577 -4.999 -7.163 1.00 0.00 C ATOM 45 CE1 HIS A 3 7.315 -5.558 -8.334 1.00 0.00 C ATOM 46 NE2 HIS A 3 6.047 -5.163 -8.461 1.00 0.00 N ATOM 0 H HIS A 3 8.492 -4.835 -2.366 1.00 0.00 H new ATOM 0 HA HIS A 3 8.281 -3.981 -5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 3 6.813 -6.303 -4.396 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.653 -4.991 -4.368 1.00 0.00 H new ATOM 0 HD1 HIS A 3 8.594 -5.935 -6.692 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.579 -4.683 -6.897 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.969 -5.774 -9.166 1.00 0.00 H new ATOM 55 N ALA A 4 7.719 -2.648 -2.553 1.00 0.00 N ATOM 56 CA ALA A 4 7.148 -1.493 -1.807 1.00 0.00 C ATOM 57 C ALA A 4 7.015 -0.293 -2.745 1.00 0.00 C ATOM 58 O ALA A 4 6.094 0.492 -2.636 1.00 0.00 O ATOM 59 CB ALA A 4 8.073 -1.131 -0.643 1.00 0.00 C ATOM 0 H ALA A 4 8.617 -2.986 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 4 6.165 -1.761 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.656 -0.285 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.167 -1.986 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.056 -0.864 -1.029 1.00 0.00 H new ATOM 65 N SER A 5 7.928 -0.139 -3.664 1.00 0.00 N ATOM 66 CA SER A 5 7.849 1.015 -4.602 1.00 0.00 C ATOM 67 C SER A 5 6.530 0.958 -5.373 1.00 0.00 C ATOM 68 O SER A 5 5.892 1.965 -5.606 1.00 0.00 O ATOM 69 CB SER A 5 9.018 0.955 -5.586 1.00 0.00 C ATOM 70 OG SER A 5 9.045 2.150 -6.356 1.00 0.00 O ATOM 0 H SER A 5 8.724 -0.761 -3.806 1.00 0.00 H new ATOM 0 HA SER A 5 7.898 1.945 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.957 0.835 -5.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.914 0.089 -6.240 1.00 0.00 H new ATOM 0 HG SER A 5 9.794 2.116 -6.987 1.00 0.00 H new ATOM 76 N VAL A 6 6.112 -0.214 -5.765 1.00 0.00 N ATOM 77 CA VAL A 6 4.829 -0.330 -6.513 1.00 0.00 C ATOM 78 C VAL A 6 3.677 0.084 -5.601 1.00 0.00 C ATOM 79 O VAL A 6 2.740 0.733 -6.019 1.00 0.00 O ATOM 80 CB VAL A 6 4.625 -1.774 -6.966 1.00 0.00 C ATOM 81 CG1 VAL A 6 3.227 -1.928 -7.571 1.00 0.00 C ATOM 82 CG2 VAL A 6 5.679 -2.137 -8.017 1.00 0.00 C ATOM 0 H VAL A 6 6.602 -1.094 -5.600 1.00 0.00 H new ATOM 0 HA VAL A 6 4.858 0.320 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 6 4.725 -2.439 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.082 -2.959 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.477 -1.673 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.126 -1.262 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.532 -3.168 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.582 -1.471 -8.875 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.674 -2.030 -7.586 1.00 0.00 H new ATOM 92 N ILE A 7 3.742 -0.291 -4.355 1.00 0.00 N ATOM 93 CA ILE A 7 2.654 0.073 -3.407 1.00 0.00 C ATOM 94 C ILE A 7 2.530 1.596 -3.326 1.00 0.00 C ATOM 95 O ILE A 7 1.451 2.147 -3.415 1.00 0.00 O ATOM 96 CB ILE A 7 2.986 -0.483 -2.023 1.00 0.00 C ATOM 97 CG1 ILE A 7 3.101 -2.008 -2.104 1.00 0.00 C ATOM 98 CG2 ILE A 7 1.877 -0.105 -1.040 1.00 0.00 C ATOM 99 CD1 ILE A 7 3.600 -2.556 -0.766 1.00 0.00 C ATOM 0 H ILE A 7 4.504 -0.836 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 7 1.711 -0.348 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 7 3.931 -0.064 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.132 -2.444 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.787 -2.289 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.115 -0.502 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.795 0.980 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.930 -0.524 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.681 -3.641 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.578 -2.130 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.897 -2.287 0.022 1.00 0.00 H new ATOM 111 N ALA A 8 3.628 2.279 -3.157 1.00 0.00 N ATOM 112 CA ALA A 8 3.575 3.767 -3.068 1.00 0.00 C ATOM 113 C ALA A 8 3.069 4.343 -4.389 1.00 0.00 C ATOM 114 O ALA A 8 2.209 5.202 -4.416 1.00 0.00 O ATOM 115 CB ALA A 8 4.976 4.310 -2.781 1.00 0.00 C ATOM 0 H ALA A 8 4.560 1.872 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 8 2.898 4.057 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.938 5.397 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.338 3.902 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.651 4.018 -3.585 1.00 0.00 H new ATOM 121 N GLN A 9 3.593 3.876 -5.486 1.00 0.00 N ATOM 122 CA GLN A 9 3.139 4.397 -6.805 1.00 0.00 C ATOM 123 C GLN A 9 1.707 3.930 -7.072 1.00 0.00 C ATOM 124 O GLN A 9 0.909 4.649 -7.635 1.00 0.00 O ATOM 125 CB GLN A 9 4.101 3.921 -7.908 1.00 0.00 C ATOM 126 CG GLN A 9 3.546 2.691 -8.630 1.00 0.00 C ATOM 127 CD GLN A 9 2.451 3.111 -9.614 1.00 0.00 C ATOM 128 OE1 GLN A 9 1.336 2.433 -9.659 1.00 0.00 O flip ATOM 129 NE2 GLN A 9 2.611 4.066 -10.348 1.00 0.00 N flip ATOM 0 H GLN A 9 4.315 3.157 -5.527 1.00 0.00 H new ATOM 0 HA GLN A 9 3.146 5.487 -6.799 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.263 4.725 -8.626 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.071 3.683 -7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.348 2.179 -9.162 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.143 1.984 -7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.482 4.596 -10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.874 4.338 -10.999 1.00 0.00 H new ATOM 138 N PHE A 10 1.376 2.738 -6.671 1.00 0.00 N ATOM 139 CA PHE A 10 -0.003 2.229 -6.900 1.00 0.00 C ATOM 140 C PHE A 10 -0.984 3.013 -6.030 1.00 0.00 C ATOM 141 O PHE A 10 -2.012 3.473 -6.487 1.00 0.00 O ATOM 142 CB PHE A 10 -0.058 0.746 -6.528 1.00 0.00 C ATOM 143 CG PHE A 10 -1.397 0.172 -6.919 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.608 -0.284 -8.224 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.427 0.093 -5.974 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.849 -0.820 -8.586 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.669 -0.442 -6.336 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.879 -0.899 -7.642 1.00 0.00 C ATOM 0 H PHE A 10 2.003 2.091 -6.193 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.273 2.353 -7.949 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.742 0.205 -7.033 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.102 0.624 -5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.813 -0.223 -8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.263 0.445 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.012 -1.173 -9.594 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.464 -0.502 -5.608 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.837 -1.313 -7.921 1.00 0.00 H new ATOM 158 N VAL A 11 -0.672 3.161 -4.775 1.00 0.00 N ATOM 159 CA VAL A 11 -1.577 3.906 -3.856 1.00 0.00 C ATOM 160 C VAL A 11 -1.580 5.395 -4.213 1.00 0.00 C ATOM 161 O VAL A 11 -2.618 6.022 -4.289 1.00 0.00 O ATOM 162 CB VAL A 11 -1.076 3.731 -2.422 1.00 0.00 C ATOM 163 CG1 VAL A 11 -1.983 4.503 -1.464 1.00 0.00 C ATOM 164 CG2 VAL A 11 -1.088 2.247 -2.056 1.00 0.00 C ATOM 0 H VAL A 11 0.176 2.796 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.591 3.517 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.059 4.116 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.624 4.377 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.971 5.561 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.001 4.122 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.731 2.121 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.104 1.861 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.437 1.699 -2.737 1.00 0.00 H new ATOM 174 N VAL A 12 -0.425 5.965 -4.421 1.00 0.00 N ATOM 175 CA VAL A 12 -0.344 7.417 -4.759 1.00 0.00 C ATOM 176 C VAL A 12 -1.034 7.700 -6.095 1.00 0.00 C ATOM 177 O VAL A 12 -1.628 8.743 -6.287 1.00 0.00 O ATOM 178 CB VAL A 12 1.122 7.831 -4.850 1.00 0.00 C ATOM 179 CG1 VAL A 12 1.218 9.267 -5.370 1.00 0.00 C ATOM 180 CG2 VAL A 12 1.763 7.749 -3.463 1.00 0.00 C ATOM 0 H VAL A 12 0.473 5.485 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.847 7.988 -3.978 1.00 0.00 H new ATOM 0 HB VAL A 12 1.645 7.162 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.266 9.561 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.763 9.327 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.694 9.937 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.810 8.045 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.239 8.417 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.697 6.726 -3.092 1.00 0.00 H new ATOM 190 N GLU A 13 -0.949 6.794 -7.024 1.00 0.00 N ATOM 191 CA GLU A 13 -1.586 7.027 -8.352 1.00 0.00 C ATOM 192 C GLU A 13 -3.058 7.402 -8.164 1.00 0.00 C ATOM 193 O GLU A 13 -3.599 8.214 -8.888 1.00 0.00 O ATOM 194 CB GLU A 13 -1.495 5.752 -9.191 1.00 0.00 C ATOM 195 CG GLU A 13 -2.029 6.016 -10.597 1.00 0.00 C ATOM 196 CD GLU A 13 -2.081 4.703 -11.379 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.727 3.683 -10.810 1.00 0.00 O ATOM 198 OE2 GLU A 13 -2.473 4.738 -12.534 1.00 0.00 O ATOM 0 H GLU A 13 -0.467 5.901 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.067 7.841 -8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.460 5.414 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.068 4.954 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.024 6.458 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.389 6.733 -11.112 1.00 0.00 H new ATOM 205 N GLU A 14 -3.712 6.809 -7.207 1.00 0.00 N ATOM 206 CA GLU A 14 -5.152 7.119 -6.981 1.00 0.00 C ATOM 207 C GLU A 14 -5.324 8.558 -6.477 1.00 0.00 C ATOM 208 O GLU A 14 -6.296 9.217 -6.788 1.00 0.00 O ATOM 209 CB GLU A 14 -5.721 6.150 -5.943 1.00 0.00 C ATOM 210 CG GLU A 14 -5.689 4.726 -6.503 1.00 0.00 C ATOM 211 CD GLU A 14 -6.319 3.766 -5.492 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.526 2.617 -5.846 1.00 0.00 O ATOM 213 OE2 GLU A 14 -6.585 4.196 -4.382 1.00 0.00 O ATOM 0 H GLU A 14 -3.312 6.121 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.685 7.013 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.139 6.203 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.744 6.430 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.231 4.683 -7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.661 4.429 -6.711 1.00 0.00 H new ATOM 220 N PHE A 15 -4.410 9.042 -5.682 1.00 0.00 N ATOM 221 CA PHE A 15 -4.556 10.430 -5.146 1.00 0.00 C ATOM 222 C PHE A 15 -3.854 11.439 -6.057 1.00 0.00 C ATOM 223 O PHE A 15 -4.480 12.313 -6.622 1.00 0.00 O ATOM 224 CB PHE A 15 -3.944 10.498 -3.747 1.00 0.00 C ATOM 225 CG PHE A 15 -4.572 9.438 -2.882 1.00 0.00 C ATOM 226 CD1 PHE A 15 -3.946 8.197 -2.747 1.00 0.00 C ATOM 227 CD2 PHE A 15 -5.783 9.689 -2.224 1.00 0.00 C ATOM 228 CE1 PHE A 15 -4.526 7.202 -1.956 1.00 0.00 C ATOM 229 CE2 PHE A 15 -6.363 8.694 -1.429 1.00 0.00 C ATOM 230 CZ PHE A 15 -5.735 7.450 -1.294 1.00 0.00 C ATOM 0 H PHE A 15 -3.573 8.543 -5.380 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.616 10.679 -5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.866 10.349 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.108 11.484 -3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.012 8.006 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.268 10.648 -2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.042 6.242 -1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.296 8.886 -0.919 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.182 6.682 -0.680 1.00 0.00 H new ATOM 240 N LEU A 16 -2.556 11.340 -6.189 1.00 0.00 N ATOM 241 CA LEU A 16 -1.815 12.311 -7.048 1.00 0.00 C ATOM 242 C LEU A 16 -0.981 11.564 -8.091 1.00 0.00 C ATOM 243 O LEU A 16 0.202 11.349 -7.914 1.00 0.00 O ATOM 244 CB LEU A 16 -0.885 13.147 -6.168 1.00 0.00 C ATOM 245 CG LEU A 16 -1.541 14.496 -5.867 1.00 0.00 C ATOM 246 CD1 LEU A 16 -0.726 15.234 -4.803 1.00 0.00 C ATOM 247 CD2 LEU A 16 -1.590 15.337 -7.144 1.00 0.00 C ATOM 0 H LEU A 16 -1.978 10.630 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.530 12.955 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.674 12.618 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.070 13.299 -6.672 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.554 14.332 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.193 16.195 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.691 14.636 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.288 15.397 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.057 16.298 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.577 15.500 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.171 14.813 -7.903 1.00 0.00 H new ATOM 301 N ALA A 20 5.194 12.577 -9.868 1.00 0.00 N ATOM 302 CA ALA A 20 6.000 11.329 -9.803 1.00 0.00 C ATOM 303 C ALA A 20 5.919 10.768 -8.373 1.00 0.00 C ATOM 304 O ALA A 20 6.335 11.421 -7.437 1.00 0.00 O ATOM 305 CB ALA A 20 7.457 11.650 -10.141 1.00 0.00 C ATOM 0 HA ALA A 20 5.617 10.597 -10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.051 10.737 -10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.514 12.069 -11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.846 12.373 -9.424 1.00 0.00 H new ATOM 311 N PRO A 21 5.380 9.579 -8.182 1.00 0.00 N ATOM 312 CA PRO A 21 5.256 8.988 -6.819 1.00 0.00 C ATOM 313 C PRO A 21 6.625 8.705 -6.195 1.00 0.00 C ATOM 314 O PRO A 21 6.789 8.732 -4.991 1.00 0.00 O ATOM 315 CB PRO A 21 4.457 7.699 -7.028 1.00 0.00 C ATOM 316 CG PRO A 21 4.585 7.364 -8.475 1.00 0.00 C ATOM 317 CD PRO A 21 4.851 8.671 -9.220 1.00 0.00 C ATOM 0 HA PRO A 21 4.764 9.669 -6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.847 6.894 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.412 7.839 -6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.399 6.657 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.675 6.890 -8.842 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.568 8.530 -10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.939 9.067 -9.668 1.00 0.00 H new ATOM 325 N ALA A 22 7.610 8.445 -7.009 1.00 0.00 N ATOM 326 CA ALA A 22 8.974 8.173 -6.474 1.00 0.00 C ATOM 327 C ALA A 22 9.573 9.475 -5.940 1.00 0.00 C ATOM 328 O ALA A 22 10.554 9.472 -5.221 1.00 0.00 O ATOM 329 CB ALA A 22 9.861 7.624 -7.593 1.00 0.00 C ATOM 0 H ALA A 22 7.529 8.409 -8.025 1.00 0.00 H new ATOM 0 HA ALA A 22 8.913 7.440 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.859 7.425 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.431 6.699 -7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.926 8.356 -8.398 1.00 0.00 H new ATOM 335 N ASP A 23 8.989 10.588 -6.287 1.00 0.00 N ATOM 336 CA ASP A 23 9.515 11.896 -5.806 1.00 0.00 C ATOM 337 C ASP A 23 8.973 12.162 -4.405 1.00 0.00 C ATOM 338 O ASP A 23 9.269 13.168 -3.791 1.00 0.00 O ATOM 339 CB ASP A 23 9.063 13.011 -6.752 1.00 0.00 C ATOM 340 CG ASP A 23 9.743 12.834 -8.111 1.00 0.00 C ATOM 341 OD1 ASP A 23 9.339 13.507 -9.045 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.655 12.029 -8.195 1.00 0.00 O ATOM 0 H ASP A 23 8.166 10.648 -6.886 1.00 0.00 H new ATOM 0 HA ASP A 23 10.604 11.869 -5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.980 12.986 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.315 13.984 -6.331 1.00 0.00 H new ATOM 347 N VAL A 24 8.186 11.259 -3.894 1.00 0.00 N ATOM 348 CA VAL A 24 7.627 11.443 -2.530 1.00 0.00 C ATOM 349 C VAL A 24 8.470 10.633 -1.549 1.00 0.00 C ATOM 350 O VAL A 24 8.855 9.515 -1.827 1.00 0.00 O ATOM 351 CB VAL A 24 6.179 10.947 -2.497 1.00 0.00 C ATOM 352 CG1 VAL A 24 5.576 11.225 -1.119 1.00 0.00 C ATOM 353 CG2 VAL A 24 5.367 11.680 -3.566 1.00 0.00 C ATOM 0 H VAL A 24 7.906 10.399 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 24 7.645 12.498 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 24 6.156 9.875 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.545 10.872 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.156 10.705 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.597 12.297 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.336 11.328 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.389 12.752 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.797 11.483 -4.548 1.00 0.00 H new ATOM 363 N ASP A 25 8.773 11.184 -0.410 1.00 0.00 N ATOM 364 CA ASP A 25 9.606 10.434 0.566 1.00 0.00 C ATOM 365 C ASP A 25 8.818 9.234 1.091 1.00 0.00 C ATOM 366 O ASP A 25 8.079 9.334 2.049 1.00 0.00 O ATOM 367 CB ASP A 25 9.974 11.352 1.735 1.00 0.00 C ATOM 368 CG ASP A 25 10.957 10.631 2.659 1.00 0.00 C ATOM 369 OD1 ASP A 25 11.263 11.177 3.707 1.00 0.00 O ATOM 370 OD2 ASP A 25 11.388 9.547 2.303 1.00 0.00 O ATOM 0 H ASP A 25 8.482 12.116 -0.114 1.00 0.00 H new ATOM 0 HA ASP A 25 10.516 10.087 0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.419 12.274 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.077 11.632 2.288 1.00 0.00 H new ATOM 375 N VAL A 26 8.974 8.097 0.467 1.00 0.00 N ATOM 376 CA VAL A 26 8.236 6.890 0.932 1.00 0.00 C ATOM 377 C VAL A 26 8.628 6.587 2.380 1.00 0.00 C ATOM 378 O VAL A 26 8.144 5.650 2.983 1.00 0.00 O ATOM 379 CB VAL A 26 8.598 5.698 0.045 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.299 6.037 -1.416 1.00 0.00 C ATOM 381 CG2 VAL A 26 10.088 5.385 0.200 1.00 0.00 C ATOM 0 H VAL A 26 9.579 7.953 -0.342 1.00 0.00 H new ATOM 0 HA VAL A 26 7.163 7.071 0.873 1.00 0.00 H new ATOM 0 HB VAL A 26 8.009 4.831 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.557 5.187 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.238 6.263 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.888 6.904 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.349 4.536 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.675 6.253 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.303 5.143 1.241 1.00 0.00 H new ATOM 391 N ASP A 27 9.494 7.385 2.945 1.00 0.00 N ATOM 392 CA ASP A 27 9.909 7.156 4.357 1.00 0.00 C ATOM 393 C ASP A 27 8.950 7.910 5.280 1.00 0.00 C ATOM 394 O ASP A 27 9.136 7.966 6.479 1.00 0.00 O ATOM 395 CB ASP A 27 11.334 7.675 4.565 1.00 0.00 C ATOM 396 CG ASP A 27 11.815 7.298 5.967 1.00 0.00 C ATOM 397 OD1 ASP A 27 12.897 7.726 6.335 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.095 6.588 6.648 1.00 0.00 O ATOM 0 H ASP A 27 9.931 8.185 2.489 1.00 0.00 H new ATOM 0 HA ASP A 27 9.882 6.090 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.000 7.250 3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.360 8.757 4.439 1.00 0.00 H new ATOM 403 N LEU A 28 7.926 8.489 4.720 1.00 0.00 N ATOM 404 CA LEU A 28 6.941 9.246 5.543 1.00 0.00 C ATOM 405 C LEU A 28 5.799 8.321 5.943 1.00 0.00 C ATOM 406 O LEU A 28 5.289 7.566 5.139 1.00 0.00 O ATOM 407 CB LEU A 28 6.376 10.402 4.716 1.00 0.00 C ATOM 408 CG LEU A 28 5.457 11.270 5.583 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.263 12.419 6.190 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.328 11.836 4.716 1.00 0.00 C ATOM 0 H LEU A 28 7.727 8.471 3.720 1.00 0.00 H new ATOM 0 HA LEU A 28 7.433 9.632 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.191 11.007 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.822 10.012 3.862 1.00 0.00 H new ATOM 0 HG LEU A 28 5.032 10.665 6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.609 13.036 6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.067 12.014 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.688 13.027 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.673 12.454 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.753 12.442 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.754 11.016 4.285 1.00 0.00 H new ATOM 422 N ASP A 29 5.377 8.381 7.174 1.00 0.00 N ATOM 423 CA ASP A 29 4.253 7.510 7.596 1.00 0.00 C ATOM 424 C ASP A 29 3.034 7.873 6.750 1.00 0.00 C ATOM 425 O ASP A 29 2.597 9.008 6.729 1.00 0.00 O ATOM 426 CB ASP A 29 3.945 7.744 9.077 1.00 0.00 C ATOM 427 CG ASP A 29 5.121 7.259 9.925 1.00 0.00 C ATOM 428 OD1 ASP A 29 5.974 6.575 9.384 1.00 0.00 O ATOM 429 OD2 ASP A 29 5.149 7.580 11.102 1.00 0.00 O ATOM 0 H ASP A 29 5.759 8.990 7.898 1.00 0.00 H new ATOM 0 HA ASP A 29 4.512 6.460 7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.764 8.803 9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.036 7.213 9.359 1.00 0.00 H new ATOM 434 N LEU A 30 2.493 6.931 6.035 1.00 0.00 N ATOM 435 CA LEU A 30 1.318 7.238 5.175 1.00 0.00 C ATOM 436 C LEU A 30 0.114 7.584 6.051 1.00 0.00 C ATOM 437 O LEU A 30 -0.986 7.760 5.564 1.00 0.00 O ATOM 438 CB LEU A 30 0.992 6.028 4.298 1.00 0.00 C ATOM 439 CG LEU A 30 0.789 4.796 5.178 1.00 0.00 C ATOM 440 CD1 LEU A 30 -0.446 4.027 4.706 1.00 0.00 C ATOM 441 CD2 LEU A 30 2.018 3.889 5.077 1.00 0.00 C ATOM 0 H LEU A 30 2.812 5.963 6.008 1.00 0.00 H new ATOM 0 HA LEU A 30 1.551 8.090 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.093 6.222 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.801 5.852 3.589 1.00 0.00 H new ATOM 0 HG LEU A 30 0.649 5.110 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.590 3.148 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.323 4.670 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.306 3.714 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.874 3.010 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.156 3.577 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.901 4.434 5.413 1.00 0.00 H new ATOM 453 N VAL A 31 0.308 7.690 7.337 1.00 0.00 N ATOM 454 CA VAL A 31 -0.834 8.031 8.228 1.00 0.00 C ATOM 455 C VAL A 31 -1.480 9.323 7.733 1.00 0.00 C ATOM 456 O VAL A 31 -2.685 9.472 7.749 1.00 0.00 O ATOM 457 CB VAL A 31 -0.331 8.222 9.659 1.00 0.00 C ATOM 458 CG1 VAL A 31 0.367 9.578 9.780 1.00 0.00 C ATOM 459 CG2 VAL A 31 -1.515 8.171 10.627 1.00 0.00 C ATOM 0 H VAL A 31 1.204 7.556 7.806 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.567 7.224 8.214 1.00 0.00 H new ATOM 0 HB VAL A 31 0.374 7.428 9.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.725 9.713 10.801 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.211 9.616 9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.337 10.373 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.157 8.307 11.647 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.220 8.965 10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.012 7.205 10.543 1.00 0.00 H new ATOM 469 N ASP A 32 -0.689 10.249 7.268 1.00 0.00 N ATOM 470 CA ASP A 32 -1.267 11.517 6.748 1.00 0.00 C ATOM 471 C ASP A 32 -2.249 11.160 5.636 1.00 0.00 C ATOM 472 O ASP A 32 -3.288 11.771 5.480 1.00 0.00 O ATOM 473 CB ASP A 32 -0.151 12.404 6.187 1.00 0.00 C ATOM 474 CG ASP A 32 0.750 12.874 7.331 1.00 0.00 C ATOM 475 OD1 ASP A 32 0.363 12.698 8.474 1.00 0.00 O ATOM 476 OD2 ASP A 32 1.811 13.401 7.043 1.00 0.00 O ATOM 0 H ASP A 32 0.328 10.183 7.226 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.774 12.060 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.434 11.850 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.579 13.263 5.671 1.00 0.00 H new ATOM 481 N ASN A 33 -1.923 10.153 4.873 1.00 0.00 N ATOM 482 CA ASN A 33 -2.823 9.712 3.777 1.00 0.00 C ATOM 483 C ASN A 33 -3.862 8.758 4.356 1.00 0.00 C ATOM 484 O ASN A 33 -4.498 8.006 3.645 1.00 0.00 O ATOM 485 CB ASN A 33 -2.009 8.995 2.706 1.00 0.00 C ATOM 486 CG ASN A 33 -0.916 9.926 2.192 1.00 0.00 C ATOM 487 OD1 ASN A 33 -1.168 11.078 1.897 1.00 0.00 O ATOM 488 ND2 ASN A 33 0.297 9.473 2.078 1.00 0.00 N ATOM 0 H ASN A 33 -1.062 9.613 4.965 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.318 10.574 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.566 8.088 3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.657 8.689 1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.040 10.085 1.740 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.506 8.506 2.326 1.00 0.00 H new ATOM 495 N GLY A 34 -4.025 8.782 5.653 1.00 0.00 N ATOM 496 CA GLY A 34 -5.014 7.883 6.311 1.00 0.00 C ATOM 497 C GLY A 34 -6.307 7.862 5.496 1.00 0.00 C ATOM 498 O GLY A 34 -7.158 7.017 5.684 1.00 0.00 O ATOM 0 H GLY A 34 -3.510 9.392 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.607 6.875 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.217 8.228 7.325 1.00 0.00 H new ATOM 502 N VAL A 35 -6.461 8.786 4.590 1.00 0.00 N ATOM 503 CA VAL A 35 -7.699 8.813 3.763 1.00 0.00 C ATOM 504 C VAL A 35 -7.921 7.425 3.160 1.00 0.00 C ATOM 505 O VAL A 35 -9.035 6.952 3.052 1.00 0.00 O ATOM 506 CB VAL A 35 -7.537 9.838 2.638 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.679 9.683 1.632 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.566 11.250 3.227 1.00 0.00 C ATOM 0 H VAL A 35 -5.785 9.522 4.387 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.553 9.089 4.382 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.585 9.672 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.561 10.414 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.659 8.678 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.632 9.846 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.451 11.981 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.517 11.414 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.751 11.363 3.942 1.00 0.00 H new ATOM 518 N ILE A 36 -6.863 6.771 2.769 1.00 0.00 N ATOM 519 CA ILE A 36 -6.993 5.413 2.173 1.00 0.00 C ATOM 520 C ILE A 36 -7.391 4.409 3.256 1.00 0.00 C ATOM 521 O ILE A 36 -7.721 3.274 2.975 1.00 0.00 O ATOM 522 CB ILE A 36 -5.647 4.984 1.592 1.00 0.00 C ATOM 523 CG1 ILE A 36 -5.867 3.927 0.509 1.00 0.00 C ATOM 524 CG2 ILE A 36 -4.790 4.384 2.706 1.00 0.00 C ATOM 525 CD1 ILE A 36 -4.590 3.101 0.340 1.00 0.00 C ATOM 0 H ILE A 36 -5.908 7.122 2.837 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.753 5.440 1.392 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.146 5.850 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.700 3.279 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.131 4.406 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.827 4.075 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.632 5.130 3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.299 3.518 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.744 2.347 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.769 3.756 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.346 2.611 1.283 1.00 0.00 H new ATOM 537 N ASP A 37 -7.319 4.804 4.493 1.00 0.00 N ATOM 538 CA ASP A 37 -7.644 3.865 5.601 1.00 0.00 C ATOM 539 C ASP A 37 -9.005 3.198 5.386 1.00 0.00 C ATOM 540 O ASP A 37 -9.158 2.019 5.635 1.00 0.00 O ATOM 541 CB ASP A 37 -7.676 4.639 6.921 1.00 0.00 C ATOM 542 CG ASP A 37 -6.281 5.181 7.233 1.00 0.00 C ATOM 543 OD1 ASP A 37 -5.336 4.718 6.615 1.00 0.00 O ATOM 544 OD2 ASP A 37 -6.180 6.049 8.084 1.00 0.00 O ATOM 0 H ASP A 37 -7.048 5.742 4.787 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.879 3.089 5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.390 5.460 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.013 3.988 7.728 1.00 0.00 H new ATOM 549 N SER A 38 -9.999 3.933 4.959 1.00 0.00 N ATOM 550 CA SER A 38 -11.350 3.314 4.775 1.00 0.00 C ATOM 551 C SER A 38 -11.846 3.438 3.329 1.00 0.00 C ATOM 552 O SER A 38 -12.148 2.453 2.687 1.00 0.00 O ATOM 553 CB SER A 38 -12.347 3.994 5.714 1.00 0.00 C ATOM 554 OG SER A 38 -12.557 3.156 6.862 1.00 0.00 O ATOM 0 H SER A 38 -9.938 4.925 4.731 1.00 0.00 H new ATOM 0 HA SER A 38 -11.267 2.252 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.968 4.968 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.291 4.169 5.198 1.00 0.00 H new ATOM 0 HG SER A 38 -13.194 3.587 7.469 1.00 0.00 H new ATOM 559 N LEU A 39 -11.965 4.630 2.818 1.00 0.00 N ATOM 560 CA LEU A 39 -12.481 4.789 1.426 1.00 0.00 C ATOM 561 C LEU A 39 -11.553 4.089 0.439 1.00 0.00 C ATOM 562 O LEU A 39 -11.977 3.286 -0.367 1.00 0.00 O ATOM 563 CB LEU A 39 -12.563 6.275 1.077 1.00 0.00 C ATOM 564 CG LEU A 39 -13.720 6.929 1.840 1.00 0.00 C ATOM 565 CD1 LEU A 39 -13.291 7.251 3.274 1.00 0.00 C ATOM 566 CD2 LEU A 39 -14.125 8.220 1.127 1.00 0.00 C ATOM 0 H LEU A 39 -11.730 5.498 3.299 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.473 4.341 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.625 6.769 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.709 6.398 0.004 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.565 6.241 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.121 7.715 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.003 6.331 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.443 7.936 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.948 8.690 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.275 8.901 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.441 7.990 0.110 1.00 0.00 H new ATOM 578 N GLY A 40 -10.291 4.383 0.497 1.00 0.00 N ATOM 579 CA GLY A 40 -9.334 3.731 -0.434 1.00 0.00 C ATOM 580 C GLY A 40 -9.172 2.260 -0.056 1.00 0.00 C ATOM 581 O GLY A 40 -9.013 1.403 -0.904 1.00 0.00 O ATOM 0 H GLY A 40 -9.877 5.048 1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.694 3.816 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.369 4.236 -0.392 1.00 0.00 H new ATOM 585 N LEU A 41 -9.198 1.962 1.214 1.00 0.00 N ATOM 586 CA LEU A 41 -9.031 0.547 1.650 1.00 0.00 C ATOM 587 C LEU A 41 -10.115 -0.317 1.008 1.00 0.00 C ATOM 588 O LEU A 41 -9.851 -1.400 0.527 1.00 0.00 O ATOM 589 CB LEU A 41 -9.155 0.472 3.175 1.00 0.00 C ATOM 590 CG LEU A 41 -8.845 -0.949 3.657 1.00 0.00 C ATOM 591 CD1 LEU A 41 -7.333 -1.137 3.778 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.495 -1.174 5.024 1.00 0.00 C ATOM 0 H LEU A 41 -9.328 2.637 1.968 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.051 0.183 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.468 1.180 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.162 0.757 3.481 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.241 -1.667 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.119 -2.149 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.868 -0.977 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.933 -0.419 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.276 -2.184 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.099 -0.453 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.574 -1.046 4.939 1.00 0.00 H new ATOM 604 N LEU A 42 -11.330 0.151 0.984 1.00 0.00 N ATOM 605 CA LEU A 42 -12.413 -0.656 0.359 1.00 0.00 C ATOM 606 C LEU A 42 -12.117 -0.827 -1.129 1.00 0.00 C ATOM 607 O LEU A 42 -12.247 -1.903 -1.679 1.00 0.00 O ATOM 608 CB LEU A 42 -13.752 0.060 0.537 1.00 0.00 C ATOM 609 CG LEU A 42 -14.143 0.071 2.013 1.00 0.00 C ATOM 610 CD1 LEU A 42 -15.438 0.865 2.192 1.00 0.00 C ATOM 611 CD2 LEU A 42 -14.361 -1.364 2.483 1.00 0.00 C ATOM 0 H LEU A 42 -11.619 1.051 1.367 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.463 -1.635 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.681 1.081 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.523 -0.441 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.349 0.535 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.717 0.873 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.288 1.889 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.233 0.400 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.641 -1.363 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.158 -1.822 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.441 -1.933 2.352 1.00 0.00 H new ATOM 623 N LYS A 43 -11.711 0.224 -1.785 1.00 0.00 N ATOM 624 CA LYS A 43 -11.398 0.118 -3.234 1.00 0.00 C ATOM 625 C LYS A 43 -10.192 -0.803 -3.430 1.00 0.00 C ATOM 626 O LYS A 43 -10.126 -1.572 -4.367 1.00 0.00 O ATOM 627 CB LYS A 43 -11.078 1.505 -3.782 1.00 0.00 C ATOM 628 CG LYS A 43 -12.321 2.393 -3.689 1.00 0.00 C ATOM 629 CD LYS A 43 -12.034 3.745 -4.343 1.00 0.00 C ATOM 630 CE LYS A 43 -13.233 4.674 -4.144 1.00 0.00 C ATOM 631 NZ LYS A 43 -13.313 5.633 -5.282 1.00 0.00 N ATOM 0 H LYS A 43 -11.583 1.151 -1.379 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.256 -0.295 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.258 1.950 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.749 1.431 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.164 1.910 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.602 2.535 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.140 4.190 -3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.837 3.612 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.152 4.091 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.134 5.216 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.128 6.265 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.440 6.197 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.426 5.107 -6.172 1.00 0.00 H new ATOM 645 N VAL A 44 -9.233 -0.723 -2.547 1.00 0.00 N ATOM 646 CA VAL A 44 -8.020 -1.581 -2.669 1.00 0.00 C ATOM 647 C VAL A 44 -8.399 -3.054 -2.496 1.00 0.00 C ATOM 648 O VAL A 44 -7.887 -3.919 -3.175 1.00 0.00 O ATOM 649 CB VAL A 44 -7.015 -1.182 -1.584 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.822 -2.140 -1.605 1.00 0.00 C ATOM 651 CG2 VAL A 44 -6.527 0.244 -1.845 1.00 0.00 C ATOM 0 H VAL A 44 -9.238 -0.096 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.577 -1.443 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.499 -1.232 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.110 -1.852 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.168 -3.157 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.336 -2.095 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.812 0.531 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.046 0.291 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.375 0.928 -1.825 1.00 0.00 H new ATOM 661 N ILE A 45 -9.281 -3.347 -1.585 1.00 0.00 N ATOM 662 CA ILE A 45 -9.677 -4.763 -1.362 1.00 0.00 C ATOM 663 C ILE A 45 -10.239 -5.358 -2.658 1.00 0.00 C ATOM 664 O ILE A 45 -9.838 -6.422 -3.082 1.00 0.00 O ATOM 665 CB ILE A 45 -10.734 -4.816 -0.253 1.00 0.00 C ATOM 666 CG1 ILE A 45 -10.071 -5.184 1.080 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.798 -5.865 -0.588 1.00 0.00 C ATOM 668 CD1 ILE A 45 -8.808 -4.345 1.293 1.00 0.00 C ATOM 0 H ILE A 45 -9.746 -2.666 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.806 -5.346 -1.062 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.204 -3.836 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.770 -5.017 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.818 -6.244 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.543 -5.894 0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.281 -5.605 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.328 -6.844 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.347 -4.616 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.105 -4.533 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.072 -3.287 1.306 1.00 0.00 H new ATOM 680 N ALA A 46 -11.161 -4.691 -3.288 1.00 0.00 N ATOM 681 CA ALA A 46 -11.740 -5.243 -4.547 1.00 0.00 C ATOM 682 C ALA A 46 -10.641 -5.401 -5.602 1.00 0.00 C ATOM 683 O ALA A 46 -10.641 -6.339 -6.374 1.00 0.00 O ATOM 684 CB ALA A 46 -12.816 -4.290 -5.074 1.00 0.00 C ATOM 0 H ALA A 46 -11.539 -3.792 -2.990 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.182 -6.218 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.240 -4.693 -5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.604 -4.183 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.372 -3.315 -5.275 1.00 0.00 H new ATOM 690 N TRP A 47 -9.706 -4.493 -5.644 1.00 0.00 N ATOM 691 CA TRP A 47 -8.612 -4.594 -6.651 1.00 0.00 C ATOM 692 C TRP A 47 -7.597 -5.655 -6.221 1.00 0.00 C ATOM 693 O TRP A 47 -7.106 -6.422 -7.025 1.00 0.00 O ATOM 694 CB TRP A 47 -7.905 -3.242 -6.770 1.00 0.00 C ATOM 695 CG TRP A 47 -6.488 -3.455 -7.200 1.00 0.00 C ATOM 696 CD1 TRP A 47 -6.062 -3.514 -8.483 1.00 0.00 C ATOM 697 CD2 TRP A 47 -5.305 -3.638 -6.369 1.00 0.00 C ATOM 698 NE1 TRP A 47 -4.693 -3.720 -8.491 1.00 0.00 N ATOM 699 CE2 TRP A 47 -4.181 -3.802 -7.211 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.101 -3.676 -4.978 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -2.899 -3.998 -6.692 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.814 -3.873 -4.451 1.00 0.00 C ATOM 703 CH2 TRP A 47 -2.716 -4.032 -5.307 1.00 0.00 C ATOM 0 H TRP A 47 -9.652 -3.685 -5.024 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.040 -4.876 -7.613 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.424 -2.611 -7.491 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.931 -2.721 -5.813 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.688 -3.416 -9.358 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.131 -3.801 -9.339 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.940 -3.553 -4.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.056 -4.122 -7.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.670 -3.902 -3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.728 -4.181 -4.896 1.00 0.00 H new ATOM 714 N LEU A 48 -7.264 -5.686 -4.963 1.00 0.00 N ATOM 715 CA LEU A 48 -6.264 -6.671 -4.479 1.00 0.00 C ATOM 716 C LEU A 48 -6.747 -8.103 -4.727 1.00 0.00 C ATOM 717 O LEU A 48 -5.990 -8.950 -5.155 1.00 0.00 O ATOM 718 CB LEU A 48 -6.058 -6.449 -2.982 1.00 0.00 C ATOM 719 CG LEU A 48 -4.911 -7.312 -2.478 1.00 0.00 C ATOM 720 CD1 LEU A 48 -4.080 -6.506 -1.481 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.489 -8.540 -1.781 1.00 0.00 C ATOM 0 H LEU A 48 -7.644 -5.068 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.327 -6.532 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.845 -5.398 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.972 -6.694 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.280 -7.622 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.256 -7.118 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.682 -5.618 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.708 -6.205 -0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.676 -9.167 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.109 -8.224 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.095 -9.107 -2.487 1.00 0.00 H new ATOM 733 N GLU A 49 -7.992 -8.387 -4.466 1.00 0.00 N ATOM 734 CA GLU A 49 -8.491 -9.770 -4.693 1.00 0.00 C ATOM 735 C GLU A 49 -8.454 -10.079 -6.190 1.00 0.00 C ATOM 736 O GLU A 49 -8.128 -11.172 -6.603 1.00 0.00 O ATOM 737 CB GLU A 49 -9.934 -9.877 -4.201 1.00 0.00 C ATOM 738 CG GLU A 49 -10.003 -9.598 -2.705 1.00 0.00 C ATOM 739 CD GLU A 49 -11.452 -9.738 -2.235 1.00 0.00 C ATOM 740 OE1 GLU A 49 -11.865 -8.944 -1.407 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.124 -10.637 -2.712 1.00 0.00 O ATOM 0 H GLU A 49 -8.681 -7.726 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.863 -10.477 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.563 -9.168 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.324 -10.873 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.363 -10.294 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.634 -8.595 -2.492 1.00 0.00 H new ATOM 748 N ASP A 50 -8.804 -9.122 -7.003 1.00 0.00 N ATOM 749 CA ASP A 50 -8.813 -9.347 -8.475 1.00 0.00 C ATOM 750 C ASP A 50 -7.391 -9.535 -9.008 1.00 0.00 C ATOM 751 O ASP A 50 -7.113 -10.453 -9.755 1.00 0.00 O ATOM 752 CB ASP A 50 -9.439 -8.132 -9.153 1.00 0.00 C ATOM 753 CG ASP A 50 -9.649 -8.425 -10.640 1.00 0.00 C ATOM 754 OD1 ASP A 50 -10.048 -7.518 -11.351 1.00 0.00 O ATOM 755 OD2 ASP A 50 -9.407 -9.551 -11.042 1.00 0.00 O ATOM 0 H ASP A 50 -9.086 -8.187 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.387 -10.249 -8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.392 -7.891 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.794 -7.262 -9.031 1.00 0.00 H new ATOM 760 N ARG A 51 -6.497 -8.659 -8.650 1.00 0.00 N ATOM 761 CA ARG A 51 -5.100 -8.769 -9.158 1.00 0.00 C ATOM 762 C ARG A 51 -4.453 -10.076 -8.694 1.00 0.00 C ATOM 763 O ARG A 51 -3.749 -10.724 -9.443 1.00 0.00 O ATOM 764 CB ARG A 51 -4.281 -7.582 -8.647 1.00 0.00 C ATOM 765 CG ARG A 51 -2.893 -7.607 -9.290 1.00 0.00 C ATOM 766 CD ARG A 51 -2.092 -6.391 -8.826 1.00 0.00 C ATOM 767 NE ARG A 51 -0.768 -6.378 -9.510 1.00 0.00 N ATOM 768 CZ ARG A 51 0.139 -7.261 -9.192 1.00 0.00 C ATOM 769 NH1 ARG A 51 1.299 -7.249 -9.791 1.00 0.00 N ATOM 770 NH2 ARG A 51 -0.114 -8.156 -8.276 1.00 0.00 N ATOM 0 H ARG A 51 -6.672 -7.870 -8.027 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.123 -8.764 -10.248 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.788 -6.647 -8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.192 -7.628 -7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.371 -8.524 -9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.984 -7.602 -10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.638 -5.475 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.955 -6.423 -7.745 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.571 -5.679 -10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.496 -6.550 -10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.008 -7.939 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.021 -8.165 -7.809 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.595 -8.846 -8.028 1.00 0.00 H new ATOM 784 N PHE A 52 -4.666 -10.467 -7.466 1.00 0.00 N ATOM 785 CA PHE A 52 -4.039 -11.722 -6.971 1.00 0.00 C ATOM 786 C PHE A 52 -5.058 -12.865 -6.962 1.00 0.00 C ATOM 787 O PHE A 52 -4.710 -14.011 -6.759 1.00 0.00 O ATOM 788 CB PHE A 52 -3.526 -11.489 -5.553 1.00 0.00 C ATOM 789 CG PHE A 52 -2.407 -10.475 -5.582 1.00 0.00 C ATOM 790 CD1 PHE A 52 -2.683 -9.120 -5.362 1.00 0.00 C ATOM 791 CD2 PHE A 52 -1.093 -10.890 -5.829 1.00 0.00 C ATOM 792 CE1 PHE A 52 -1.646 -8.181 -5.389 1.00 0.00 C ATOM 793 CE2 PHE A 52 -0.055 -9.951 -5.857 1.00 0.00 C ATOM 794 CZ PHE A 52 -0.331 -8.596 -5.637 1.00 0.00 C ATOM 0 H PHE A 52 -5.245 -9.972 -6.788 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.216 -11.996 -7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.336 -11.134 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.171 -12.426 -5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.697 -8.800 -5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.880 -11.935 -5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.859 -7.136 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.958 -10.272 -6.048 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.469 -7.871 -5.658 1.00 0.00 H new ATOM 804 N GLY A 53 -6.311 -12.574 -7.179 1.00 0.00 N ATOM 805 CA GLY A 53 -7.330 -13.664 -7.177 1.00 0.00 C ATOM 806 C GLY A 53 -7.459 -14.232 -5.762 1.00 0.00 C ATOM 807 O GLY A 53 -7.648 -15.418 -5.575 1.00 0.00 O ATOM 0 H GLY A 53 -6.672 -11.637 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.292 -13.279 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.039 -14.451 -7.872 1.00 0.00 H new ATOM 811 N ILE A 54 -7.342 -13.398 -4.764 1.00 0.00 N ATOM 812 CA ILE A 54 -7.441 -13.891 -3.360 1.00 0.00 C ATOM 813 C ILE A 54 -8.787 -13.480 -2.758 1.00 0.00 C ATOM 814 O ILE A 54 -9.297 -12.413 -3.024 1.00 0.00 O ATOM 815 CB ILE A 54 -6.316 -13.273 -2.533 1.00 0.00 C ATOM 816 CG1 ILE A 54 -4.969 -13.600 -3.178 1.00 0.00 C ATOM 817 CG2 ILE A 54 -6.351 -13.844 -1.113 1.00 0.00 C ATOM 818 CD1 ILE A 54 -3.880 -12.739 -2.538 1.00 0.00 C ATOM 0 H ILE A 54 -7.182 -12.395 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.359 -14.978 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.448 -12.192 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.737 -14.657 -3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.012 -13.414 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.548 -13.402 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.310 -13.611 -0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.220 -14.925 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.918 -12.970 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.112 -11.685 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.833 -12.947 -1.469 1.00 0.00 H new ATOM 830 N ALA A 55 -9.359 -14.321 -1.942 1.00 0.00 N ATOM 831 CA ALA A 55 -10.665 -13.982 -1.311 1.00 0.00 C ATOM 832 C ALA A 55 -10.487 -12.746 -0.425 1.00 0.00 C ATOM 833 O ALA A 55 -9.410 -12.476 0.068 1.00 0.00 O ATOM 834 CB ALA A 55 -11.143 -15.158 -0.457 1.00 0.00 C ATOM 0 H ALA A 55 -8.977 -15.231 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.404 -13.777 -2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.099 -14.908 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.263 -16.040 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.408 -15.365 0.321 1.00 0.00 H new ATOM 840 N ALA A 56 -11.529 -11.986 -0.229 1.00 0.00 N ATOM 841 CA ALA A 56 -11.409 -10.764 0.614 1.00 0.00 C ATOM 842 C ALA A 56 -10.944 -11.137 2.021 1.00 0.00 C ATOM 843 O ALA A 56 -10.161 -10.433 2.628 1.00 0.00 O ATOM 844 CB ALA A 56 -12.769 -10.068 0.697 1.00 0.00 C ATOM 0 H ALA A 56 -12.457 -12.158 -0.616 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.677 -10.093 0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.683 -9.173 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.096 -9.788 -0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.498 -10.746 1.141 1.00 0.00 H new ATOM 924 N SER A 62 -5.506 -3.190 12.488 1.00 0.00 N ATOM 925 CA SER A 62 -5.358 -1.929 13.266 1.00 0.00 C ATOM 926 C SER A 62 -4.659 -0.875 12.397 1.00 0.00 C ATOM 927 O SER A 62 -3.869 -1.204 11.535 1.00 0.00 O ATOM 928 CB SER A 62 -4.519 -2.198 14.517 1.00 0.00 C ATOM 929 OG SER A 62 -5.302 -1.931 15.672 1.00 0.00 O ATOM 0 HA SER A 62 -6.342 -1.564 13.561 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.179 -3.234 14.525 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.628 -1.570 14.514 1.00 0.00 H new ATOM 0 HG SER A 62 -4.769 -2.104 16.476 1.00 0.00 H new ATOM 935 N PRO A 63 -4.945 0.383 12.621 1.00 0.00 N ATOM 936 CA PRO A 63 -4.329 1.498 11.841 1.00 0.00 C ATOM 937 C PRO A 63 -2.810 1.554 12.025 1.00 0.00 C ATOM 938 O PRO A 63 -2.084 2.007 11.162 1.00 0.00 O ATOM 939 CB PRO A 63 -4.984 2.764 12.405 1.00 0.00 C ATOM 940 CG PRO A 63 -5.560 2.372 13.726 1.00 0.00 C ATOM 941 CD PRO A 63 -5.879 0.883 13.640 1.00 0.00 C ATOM 0 HA PRO A 63 -4.491 1.375 10.770 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.253 3.564 12.519 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.760 3.134 11.735 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.852 2.570 14.531 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.459 2.949 13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.729 0.386 14.598 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.916 0.712 13.351 1.00 0.00 H new ATOM 949 N GLU A 64 -2.329 1.101 13.149 1.00 0.00 N ATOM 950 CA GLU A 64 -0.862 1.126 13.404 1.00 0.00 C ATOM 951 C GLU A 64 -0.135 0.278 12.359 1.00 0.00 C ATOM 952 O GLU A 64 1.013 0.521 12.040 1.00 0.00 O ATOM 953 CB GLU A 64 -0.579 0.566 14.797 1.00 0.00 C ATOM 954 CG GLU A 64 0.903 0.720 15.119 1.00 0.00 C ATOM 955 CD GLU A 64 1.206 0.064 16.468 1.00 0.00 C ATOM 956 OE1 GLU A 64 2.350 0.119 16.888 1.00 0.00 O ATOM 957 OE2 GLU A 64 0.288 -0.483 17.058 1.00 0.00 O ATOM 0 H GLU A 64 -2.892 0.713 13.906 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.506 2.154 13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.179 1.091 15.540 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.864 -0.485 14.842 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.505 0.260 14.336 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.171 1.776 15.148 1.00 0.00 H new ATOM 964 N HIS A 65 -0.786 -0.722 11.829 1.00 0.00 N ATOM 965 CA HIS A 65 -0.118 -1.585 10.813 1.00 0.00 C ATOM 966 C HIS A 65 0.130 -0.793 9.529 1.00 0.00 C ATOM 967 O HIS A 65 1.028 -1.094 8.769 1.00 0.00 O ATOM 968 CB HIS A 65 -1.009 -2.789 10.500 1.00 0.00 C ATOM 969 CG HIS A 65 -0.358 -3.625 9.435 1.00 0.00 C ATOM 970 ND1 HIS A 65 0.881 -4.224 9.617 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.756 -3.966 8.165 1.00 0.00 C ATOM 972 CE1 HIS A 65 1.182 -4.886 8.484 1.00 0.00 C ATOM 973 NE2 HIS A 65 0.217 -4.760 7.572 1.00 0.00 N ATOM 0 H HIS A 65 -1.747 -0.978 12.054 1.00 0.00 H new ATOM 0 HA HIS A 65 0.837 -1.926 11.212 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.166 -3.384 11.400 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.990 -2.453 10.165 1.00 0.00 H new ATOM 0 HD1 HIS A 65 1.458 -4.172 10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.682 -3.663 7.700 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.091 -5.449 8.333 1.00 0.00 H new ATOM 982 N PHE A 66 -0.663 0.207 9.272 1.00 0.00 N ATOM 983 CA PHE A 66 -0.474 1.004 8.027 1.00 0.00 C ATOM 984 C PHE A 66 0.258 2.307 8.353 1.00 0.00 C ATOM 985 O PHE A 66 0.388 3.181 7.519 1.00 0.00 O ATOM 986 CB PHE A 66 -1.843 1.318 7.429 1.00 0.00 C ATOM 987 CG PHE A 66 -2.588 0.025 7.202 1.00 0.00 C ATOM 988 CD1 PHE A 66 -2.463 -0.652 5.982 1.00 0.00 C ATOM 989 CD2 PHE A 66 -3.394 -0.503 8.215 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.148 -1.857 5.778 1.00 0.00 C ATOM 991 CE2 PHE A 66 -4.080 -1.705 8.011 1.00 0.00 C ATOM 992 CZ PHE A 66 -3.957 -2.383 6.793 1.00 0.00 C ATOM 0 H PHE A 66 -1.434 0.508 9.869 1.00 0.00 H new ATOM 0 HA PHE A 66 0.120 0.435 7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.408 1.965 8.100 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.728 1.857 6.488 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.839 -0.246 5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.487 0.018 9.156 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.052 -2.380 4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.705 -2.110 8.794 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.486 -3.312 6.636 1.00 0.00 H new ATOM 1002 N ARG A 67 0.733 2.448 9.559 1.00 0.00 N ATOM 1003 CA ARG A 67 1.451 3.698 9.935 1.00 0.00 C ATOM 1004 C ARG A 67 2.599 3.940 8.950 1.00 0.00 C ATOM 1005 O ARG A 67 2.856 5.058 8.548 1.00 0.00 O ATOM 1006 CB ARG A 67 2.016 3.550 11.354 1.00 0.00 C ATOM 1007 CG ARG A 67 2.639 4.868 11.821 1.00 0.00 C ATOM 1008 CD ARG A 67 1.551 5.798 12.370 1.00 0.00 C ATOM 1009 NE ARG A 67 2.165 7.090 12.784 1.00 0.00 N ATOM 1010 CZ ARG A 67 1.417 8.045 13.264 1.00 0.00 C ATOM 1011 NH1 ARG A 67 1.956 9.177 13.626 1.00 0.00 N ATOM 1012 NH2 ARG A 67 0.129 7.868 13.382 1.00 0.00 N ATOM 0 H ARG A 67 0.655 1.752 10.301 1.00 0.00 H new ATOM 0 HA ARG A 67 0.761 4.542 9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.222 3.253 12.039 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.766 2.759 11.373 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.385 4.674 12.591 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.156 5.350 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.789 5.972 11.610 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.053 5.331 13.220 1.00 0.00 H new ATOM 0 HE ARG A 67 3.171 7.228 12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.962 9.315 13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.371 9.924 14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.292 6.983 13.099 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.456 8.614 13.757 1.00 0.00 H new ATOM 1026 N SER A 68 3.291 2.902 8.560 1.00 0.00 N ATOM 1027 CA SER A 68 4.425 3.071 7.602 1.00 0.00 C ATOM 1028 C SER A 68 4.250 2.112 6.421 1.00 0.00 C ATOM 1029 O SER A 68 3.710 1.033 6.557 1.00 0.00 O ATOM 1030 CB SER A 68 5.742 2.767 8.314 1.00 0.00 C ATOM 1031 OG SER A 68 5.892 3.648 9.420 1.00 0.00 O ATOM 0 H SER A 68 3.120 1.943 8.863 1.00 0.00 H new ATOM 0 HA SER A 68 4.437 4.097 7.235 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.754 1.732 8.655 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.578 2.885 7.624 1.00 0.00 H new ATOM 0 HG SER A 68 5.901 4.575 9.101 1.00 0.00 H new ATOM 1037 N ILE A 69 4.707 2.501 5.260 1.00 0.00 N ATOM 1038 CA ILE A 69 4.574 1.624 4.068 1.00 0.00 C ATOM 1039 C ILE A 69 5.317 0.304 4.306 1.00 0.00 C ATOM 1040 O ILE A 69 4.888 -0.747 3.873 1.00 0.00 O ATOM 1041 CB ILE A 69 5.183 2.335 2.862 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.459 3.653 2.621 1.00 0.00 C ATOM 1043 CG2 ILE A 69 5.032 1.461 1.630 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.161 4.429 1.504 1.00 0.00 C ATOM 0 H ILE A 69 5.169 3.394 5.089 1.00 0.00 H new ATOM 0 HA ILE A 69 3.520 1.413 3.887 1.00 0.00 H new ATOM 0 HB ILE A 69 6.238 2.526 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.420 3.464 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.446 4.245 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.467 1.968 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.546 0.514 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.974 1.273 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.641 5.372 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.192 4.631 1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.150 3.838 0.588 1.00 0.00 H new ATOM 1056 N ARG A 70 6.434 0.354 4.978 1.00 0.00 N ATOM 1057 CA ARG A 70 7.214 -0.893 5.228 1.00 0.00 C ATOM 1058 C ARG A 70 6.374 -1.892 6.029 1.00 0.00 C ATOM 1059 O ARG A 70 6.417 -3.081 5.789 1.00 0.00 O ATOM 1060 CB ARG A 70 8.480 -0.549 6.016 1.00 0.00 C ATOM 1061 CG ARG A 70 9.338 -1.806 6.178 1.00 0.00 C ATOM 1062 CD ARG A 70 10.620 -1.454 6.933 1.00 0.00 C ATOM 1063 NE ARG A 70 10.289 -1.120 8.348 1.00 0.00 N ATOM 1064 CZ ARG A 70 11.244 -0.888 9.204 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.954 -0.597 10.443 1.00 0.00 N ATOM 1066 NH2 ARG A 70 12.492 -0.947 8.824 1.00 0.00 N ATOM 0 H ARG A 70 6.841 1.205 5.366 1.00 0.00 H new ATOM 0 HA ARG A 70 7.482 -1.342 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.045 0.225 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.215 -0.148 6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.782 -2.571 6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.582 -2.222 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.316 -2.292 6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.116 -0.609 6.455 1.00 0.00 H new ATOM 0 HE ARG A 70 9.315 -1.073 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.980 -0.551 10.741 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.702 -0.416 11.113 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.720 -1.175 7.856 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.239 -0.765 9.495 1.00 0.00 H new ATOM 1080 N SER A 71 5.615 -1.426 6.984 1.00 0.00 N ATOM 1081 CA SER A 71 4.787 -2.360 7.793 1.00 0.00 C ATOM 1082 C SER A 71 3.845 -3.138 6.871 1.00 0.00 C ATOM 1083 O SER A 71 3.648 -4.327 7.028 1.00 0.00 O ATOM 1084 CB SER A 71 3.969 -1.558 8.801 1.00 0.00 C ATOM 1085 OG SER A 71 4.842 -0.743 9.573 1.00 0.00 O ATOM 0 H SER A 71 5.534 -0.441 7.237 1.00 0.00 H new ATOM 0 HA SER A 71 5.433 -3.061 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.238 -0.938 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.411 -2.231 9.452 1.00 0.00 H new ATOM 0 HG SER A 71 4.319 -0.225 10.220 1.00 0.00 H new ATOM 1091 N ILE A 72 3.269 -2.479 5.905 1.00 0.00 N ATOM 1092 CA ILE A 72 2.351 -3.173 4.969 1.00 0.00 C ATOM 1093 C ILE A 72 3.138 -4.203 4.157 1.00 0.00 C ATOM 1094 O ILE A 72 2.662 -5.285 3.878 1.00 0.00 O ATOM 1095 CB ILE A 72 1.731 -2.146 4.027 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.956 -1.107 4.843 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.783 -2.853 3.067 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.475 0.014 3.921 1.00 0.00 C ATOM 0 H ILE A 72 3.398 -1.483 5.725 1.00 0.00 H new ATOM 0 HA ILE A 72 1.565 -3.679 5.529 1.00 0.00 H new ATOM 0 HB ILE A 72 2.517 -1.646 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.105 -1.577 5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.592 -0.698 5.628 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.337 -2.123 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.336 -3.592 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.004 -3.351 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.076 0.752 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.334 0.491 3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.176 -0.402 3.152 1.00 0.00 H new ATOM 1110 N ASP A 73 4.339 -3.868 3.773 1.00 0.00 N ATOM 1111 CA ASP A 73 5.159 -4.817 2.978 1.00 0.00 C ATOM 1112 C ASP A 73 5.299 -6.135 3.738 1.00 0.00 C ATOM 1113 O ASP A 73 5.279 -7.202 3.156 1.00 0.00 O ATOM 1114 CB ASP A 73 6.544 -4.211 2.750 1.00 0.00 C ATOM 1115 CG ASP A 73 6.424 -2.985 1.844 1.00 0.00 C ATOM 1116 OD1 ASP A 73 7.386 -2.239 1.759 1.00 0.00 O ATOM 1117 OD2 ASP A 73 5.372 -2.812 1.251 1.00 0.00 O ATOM 0 H ASP A 73 4.787 -2.975 3.978 1.00 0.00 H new ATOM 0 HA ASP A 73 4.676 -5.005 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.990 -3.929 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.205 -4.949 2.295 1.00 0.00 H new ATOM 1122 N ALA A 74 5.442 -6.076 5.032 1.00 0.00 N ATOM 1123 CA ALA A 74 5.584 -7.333 5.817 1.00 0.00 C ATOM 1124 C ALA A 74 4.303 -8.157 5.696 1.00 0.00 C ATOM 1125 O ALA A 74 4.341 -9.348 5.459 1.00 0.00 O ATOM 1126 CB ALA A 74 5.837 -6.994 7.288 1.00 0.00 C ATOM 0 H ALA A 74 5.467 -5.215 5.578 1.00 0.00 H new ATOM 0 HA ALA A 74 6.424 -7.909 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.941 -7.915 7.861 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.752 -6.408 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.999 -6.417 7.678 1.00 0.00 H new ATOM 1132 N PHE A 75 3.168 -7.534 5.846 1.00 0.00 N ATOM 1133 CA PHE A 75 1.890 -8.290 5.728 1.00 0.00 C ATOM 1134 C PHE A 75 1.733 -8.790 4.292 1.00 0.00 C ATOM 1135 O PHE A 75 1.411 -9.937 4.052 1.00 0.00 O ATOM 1136 CB PHE A 75 0.717 -7.378 6.079 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.565 -8.176 6.063 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -0.956 -8.896 7.197 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -1.363 -8.195 4.912 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -2.145 -9.636 7.182 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -2.551 -8.935 4.896 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.941 -9.655 6.031 1.00 0.00 C ATOM 0 H PHE A 75 3.070 -6.538 6.044 1.00 0.00 H new ATOM 0 HA PHE A 75 1.904 -9.137 6.414 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.869 -6.935 7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.655 -6.557 5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.341 -8.881 8.084 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.062 -7.639 4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.447 -10.191 8.058 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.166 -8.950 4.008 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.858 -10.226 6.019 1.00 0.00 H new ATOM 1152 N VAL A 76 1.964 -7.934 3.335 1.00 0.00 N ATOM 1153 CA VAL A 76 1.837 -8.345 1.915 1.00 0.00 C ATOM 1154 C VAL A 76 2.884 -9.412 1.592 1.00 0.00 C ATOM 1155 O VAL A 76 2.613 -10.368 0.893 1.00 0.00 O ATOM 1156 CB VAL A 76 2.059 -7.124 1.026 1.00 0.00 C ATOM 1157 CG1 VAL A 76 2.160 -7.570 -0.428 1.00 0.00 C ATOM 1158 CG2 VAL A 76 0.882 -6.158 1.182 1.00 0.00 C ATOM 0 H VAL A 76 2.237 -6.962 3.480 1.00 0.00 H new ATOM 0 HA VAL A 76 0.843 -8.756 1.738 1.00 0.00 H new ATOM 0 HB VAL A 76 2.981 -6.622 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.319 -6.700 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.997 -8.259 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.237 -8.070 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.040 -5.286 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.041 -6.658 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.807 -5.841 2.222 1.00 0.00 H new ATOM 1168 N VAL A 77 4.082 -9.256 2.089 1.00 0.00 N ATOM 1169 CA VAL A 77 5.142 -10.255 1.807 1.00 0.00 C ATOM 1170 C VAL A 77 4.717 -11.628 2.332 1.00 0.00 C ATOM 1171 O VAL A 77 4.893 -12.637 1.678 1.00 0.00 O ATOM 1172 CB VAL A 77 6.426 -9.818 2.506 1.00 0.00 C ATOM 1173 CG1 VAL A 77 7.447 -10.949 2.440 1.00 0.00 C ATOM 1174 CG2 VAL A 77 6.992 -8.580 1.807 1.00 0.00 C ATOM 0 H VAL A 77 4.369 -8.475 2.680 1.00 0.00 H new ATOM 0 HA VAL A 77 5.306 -10.323 0.731 1.00 0.00 H new ATOM 0 HB VAL A 77 6.211 -9.580 3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.366 -10.640 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.044 -11.832 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.662 -11.185 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.909 -8.268 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.209 -8.817 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.262 -7.772 1.851 1.00 0.00 H new ATOM 1184 N GLY A 78 4.165 -11.675 3.513 1.00 0.00 N ATOM 1185 CA GLY A 78 3.736 -12.981 4.089 1.00 0.00 C ATOM 1186 C GLY A 78 2.630 -13.607 3.233 1.00 0.00 C ATOM 1187 O GLY A 78 2.576 -14.808 3.061 1.00 0.00 O ATOM 0 H GLY A 78 3.992 -10.863 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.588 -13.658 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.377 -12.836 5.108 1.00 0.00 H new ATOM 1191 N ALA A 79 1.738 -12.811 2.706 1.00 0.00 N ATOM 1192 CA ALA A 79 0.635 -13.381 1.881 1.00 0.00 C ATOM 1193 C ALA A 79 1.074 -13.508 0.422 1.00 0.00 C ATOM 1194 O ALA A 79 0.931 -14.548 -0.190 1.00 0.00 O ATOM 1195 CB ALA A 79 -0.587 -12.465 1.965 1.00 0.00 C ATOM 0 H ALA A 79 1.726 -11.796 2.811 1.00 0.00 H new ATOM 0 HA ALA A 79 0.384 -14.371 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.395 -12.880 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.912 -12.386 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.326 -11.475 1.590 1.00 0.00 H new ATOM 1201 N THR A 80 1.608 -12.459 -0.137 1.00 0.00 N ATOM 1202 CA THR A 80 2.060 -12.513 -1.557 1.00 0.00 C ATOM 1203 C THR A 80 3.481 -11.962 -1.653 1.00 0.00 C ATOM 1204 O THR A 80 3.913 -11.193 -0.821 1.00 0.00 O ATOM 1205 CB THR A 80 1.123 -11.666 -2.423 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.389 -10.289 -2.198 1.00 0.00 O ATOM 1207 CG2 THR A 80 -0.330 -11.975 -2.060 1.00 0.00 C ATOM 0 H THR A 80 1.752 -11.563 0.329 1.00 0.00 H new ATOM 0 HA THR A 80 2.043 -13.545 -1.909 1.00 0.00 H new ATOM 0 HB THR A 80 1.288 -11.900 -3.475 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.791 -9.745 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.995 -11.371 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.532 -13.032 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.500 -11.742 -1.009 1.00 0.00 H new ATOM 1215 N THR A 81 4.210 -12.344 -2.662 1.00 0.00 N ATOM 1216 CA THR A 81 5.599 -11.835 -2.806 1.00 0.00 C ATOM 1217 C THR A 81 5.888 -11.539 -4.282 1.00 0.00 C ATOM 1218 O THR A 81 6.377 -12.384 -5.003 1.00 0.00 O ATOM 1219 CB THR A 81 6.575 -12.895 -2.293 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.885 -12.598 -2.757 1.00 0.00 O ATOM 1221 CG2 THR A 81 6.149 -14.273 -2.803 1.00 0.00 C ATOM 0 H THR A 81 3.904 -12.986 -3.393 1.00 0.00 H new ATOM 0 HA THR A 81 5.716 -10.918 -2.228 1.00 0.00 H new ATOM 0 HB THR A 81 6.569 -12.896 -1.203 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.511 -13.276 -2.427 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.845 -15.028 -2.437 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.145 -14.500 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.152 -14.275 -3.893 1.00 0.00 H new