USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 695 hydrogens (21 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 68 SER OG : rot 151:sc= 1.05 USER MOD Set 1.2: A 71 SER OG : rot 100:sc= 0.613 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.127 (180deg=-0.368) USER MOD Single : A 2 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.34) USER MOD Single : A 3 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.8) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -3.3! C(o=-3.3!,f=-5.3!) USER MOD Single : A 33 ASN : amide:sc=-0.00159 K(o=-0.0016,f=-1.2) 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= -3.42 K(o=-3.4,f=-4.6!) USER MOD Single : A 80 THR OG1 : rot -21:sc= 0.64 USER MOD Single : A 81 THR OG1 : rot 140:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= 0.0172 (180deg=-0.71) USER MOD Single : A 89 GLN : amide:sc=-0.00295 K(o=-0.003,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.743 14.362 -0.287 1.00 0.00 N ATOM 2 CA MET A 1 -1.067 13.631 0.821 1.00 0.00 C ATOM 3 C MET A 1 -1.824 13.874 2.127 1.00 0.00 C ATOM 4 O MET A 1 -1.246 14.223 3.137 1.00 0.00 O ATOM 5 CB MET A 1 0.370 14.135 0.961 1.00 0.00 C ATOM 6 CG MET A 1 1.156 13.783 -0.302 1.00 0.00 C ATOM 7 SD MET A 1 2.890 14.257 -0.089 1.00 0.00 S ATOM 8 CE MET A 1 3.446 13.849 -1.762 1.00 0.00 C ATOM 0 H1 MET A 1 -1.882 13.720 -1.093 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.666 14.711 0.040 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.154 15.166 -0.583 1.00 0.00 H new ATOM 0 HA MET A 1 -1.057 12.564 0.601 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.375 15.214 1.117 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.842 13.684 1.834 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.083 12.714 -0.502 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.731 14.299 -1.163 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.510 14.068 -1.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.275 12.790 -1.954 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.888 14.443 -2.486 1.00 0.00 H new ATOM 20 N GLN A 2 -3.115 13.691 2.113 1.00 0.00 N ATOM 21 CA GLN A 2 -3.913 13.910 3.353 1.00 0.00 C ATOM 22 C GLN A 2 -3.400 12.982 4.455 1.00 0.00 C ATOM 23 O GLN A 2 -3.365 13.338 5.616 1.00 0.00 O ATOM 24 CB GLN A 2 -5.385 13.596 3.072 1.00 0.00 C ATOM 25 CG GLN A 2 -5.904 14.514 1.964 1.00 0.00 C ATOM 26 CD GLN A 2 -5.767 15.974 2.401 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.171 16.335 3.489 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.209 16.835 1.594 1.00 0.00 N ATOM 0 H GLN A 2 -3.653 13.399 1.297 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.815 14.948 3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.494 12.553 2.775 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.976 13.733 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.343 14.345 1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.947 14.285 1.747 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.870 16.532 0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.112 17.810 1.877 1.00 0.00 H new ATOM 37 N HIS A 3 -3.002 11.793 4.097 1.00 0.00 N ATOM 38 CA HIS A 3 -2.490 10.834 5.116 1.00 0.00 C ATOM 39 C HIS A 3 -1.459 9.911 4.467 1.00 0.00 C ATOM 40 O HIS A 3 -1.472 8.711 4.662 1.00 0.00 O ATOM 41 CB HIS A 3 -3.652 10.004 5.663 1.00 0.00 C ATOM 42 CG HIS A 3 -4.624 10.909 6.369 1.00 0.00 C ATOM 43 ND1 HIS A 3 -4.321 11.520 7.577 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.896 11.317 6.050 1.00 0.00 C ATOM 45 CE1 HIS A 3 -5.388 12.258 7.938 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.371 12.167 7.042 1.00 0.00 N ATOM 0 H HIS A 3 -3.009 11.443 3.139 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.023 11.382 5.934 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.152 9.479 4.850 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.279 9.245 6.351 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.442 11.023 5.166 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.441 12.849 8.840 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.282 12.625 7.077 1.00 0.00 H new ATOM 55 N ALA A 4 -0.568 10.461 3.689 1.00 0.00 N ATOM 56 CA ALA A 4 0.462 9.621 3.017 1.00 0.00 C ATOM 57 C ALA A 4 1.320 8.910 4.065 1.00 0.00 C ATOM 58 O ALA A 4 1.795 7.812 3.851 1.00 0.00 O ATOM 59 CB ALA A 4 1.354 10.510 2.147 1.00 0.00 C ATOM 0 H ALA A 4 -0.509 11.460 3.489 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.033 8.876 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.109 9.897 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.745 11.011 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.844 11.256 2.772 1.00 0.00 H new ATOM 65 N SER A 5 1.533 9.528 5.194 1.00 0.00 N ATOM 66 CA SER A 5 2.372 8.886 6.246 1.00 0.00 C ATOM 67 C SER A 5 1.767 7.537 6.645 1.00 0.00 C ATOM 68 O SER A 5 2.474 6.582 6.897 1.00 0.00 O ATOM 69 CB SER A 5 2.438 9.798 7.471 1.00 0.00 C ATOM 70 OG SER A 5 2.886 11.086 7.073 1.00 0.00 O ATOM 0 H SER A 5 1.163 10.448 5.434 1.00 0.00 H new ATOM 0 HA SER A 5 3.377 8.725 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.456 9.870 7.938 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.115 9.379 8.215 1.00 0.00 H new ATOM 0 HG SER A 5 2.928 11.674 7.856 1.00 0.00 H new ATOM 76 N VAL A 6 0.467 7.448 6.703 1.00 0.00 N ATOM 77 CA VAL A 6 -0.170 6.154 7.085 1.00 0.00 C ATOM 78 C VAL A 6 0.141 5.103 6.021 1.00 0.00 C ATOM 79 O VAL A 6 0.390 3.954 6.320 1.00 0.00 O ATOM 80 CB VAL A 6 -1.681 6.334 7.192 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.346 4.966 7.369 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.006 7.216 8.398 1.00 0.00 C ATOM 0 H VAL A 6 -0.180 8.211 6.504 1.00 0.00 H new ATOM 0 HA VAL A 6 0.223 5.829 8.048 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.055 6.807 6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.426 5.094 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.115 4.335 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.971 4.494 8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.086 7.345 8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.632 6.743 9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.532 8.190 8.275 1.00 0.00 H new ATOM 92 N ILE A 7 0.122 5.488 4.780 1.00 0.00 N ATOM 93 CA ILE A 7 0.411 4.511 3.697 1.00 0.00 C ATOM 94 C ILE A 7 1.815 3.935 3.886 1.00 0.00 C ATOM 95 O ILE A 7 2.042 2.757 3.697 1.00 0.00 O ATOM 96 CB ILE A 7 0.313 5.220 2.348 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.113 5.746 2.167 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.644 4.235 1.225 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.183 6.634 0.926 1.00 0.00 C ATOM 0 H ILE A 7 -0.081 6.437 4.467 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.311 3.695 3.731 1.00 0.00 H new ATOM 0 HB ILE A 7 1.019 6.049 2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.808 4.912 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.416 6.312 3.048 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.574 4.743 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.656 3.855 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.062 3.405 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.200 7.006 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.500 7.476 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.899 6.055 0.048 1.00 0.00 H new ATOM 111 N ALA A 8 2.759 4.752 4.265 1.00 0.00 N ATOM 112 CA ALA A 8 4.143 4.238 4.473 1.00 0.00 C ATOM 113 C ALA A 8 4.133 3.221 5.613 1.00 0.00 C ATOM 114 O ALA A 8 4.665 2.135 5.498 1.00 0.00 O ATOM 115 CB ALA A 8 5.072 5.397 4.837 1.00 0.00 C ATOM 0 H ALA A 8 2.633 5.749 4.439 1.00 0.00 H new ATOM 0 HA ALA A 8 4.498 3.765 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.083 5.019 4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.075 6.128 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.721 5.871 5.754 1.00 0.00 H new ATOM 121 N GLN A 9 3.526 3.568 6.711 1.00 0.00 N ATOM 122 CA GLN A 9 3.468 2.629 7.863 1.00 0.00 C ATOM 123 C GLN A 9 2.557 1.453 7.513 1.00 0.00 C ATOM 124 O GLN A 9 2.755 0.345 7.967 1.00 0.00 O ATOM 125 CB GLN A 9 2.963 3.368 9.114 1.00 0.00 C ATOM 126 CG GLN A 9 1.465 3.128 9.327 1.00 0.00 C ATOM 127 CD GLN A 9 1.240 1.742 9.936 1.00 0.00 C ATOM 128 OE1 GLN A 9 1.963 1.328 10.819 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.255 1.006 9.498 1.00 0.00 N ATOM 0 H GLN A 9 3.065 4.466 6.861 1.00 0.00 H new ATOM 0 HA GLN A 9 4.465 2.244 8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.517 3.029 9.989 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.153 4.436 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.055 3.894 9.985 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.937 3.207 8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.352 1.355 8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.092 0.082 9.898 1.00 0.00 H new ATOM 138 N PHE A 10 1.550 1.690 6.723 1.00 0.00 N ATOM 139 CA PHE A 10 0.614 0.594 6.359 1.00 0.00 C ATOM 140 C PHE A 10 1.387 -0.543 5.684 1.00 0.00 C ATOM 141 O PHE A 10 1.279 -1.688 6.067 1.00 0.00 O ATOM 142 CB PHE A 10 -0.434 1.151 5.392 1.00 0.00 C ATOM 143 CG PHE A 10 -1.544 0.149 5.189 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.594 0.075 6.112 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.533 -0.696 4.073 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.633 -0.842 5.919 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.572 -1.616 3.881 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.622 -1.688 4.804 1.00 0.00 C ATOM 0 H PHE A 10 1.334 2.599 6.312 1.00 0.00 H new ATOM 0 HA PHE A 10 0.128 0.206 7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.843 2.082 5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.032 1.386 4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.602 0.726 6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.724 -0.639 3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.444 -0.897 6.631 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.563 -2.269 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.424 -2.396 4.656 1.00 0.00 H new ATOM 158 N VAL A 11 2.166 -0.239 4.685 1.00 0.00 N ATOM 159 CA VAL A 11 2.940 -1.308 3.994 1.00 0.00 C ATOM 160 C VAL A 11 4.113 -1.781 4.865 1.00 0.00 C ATOM 161 O VAL A 11 4.364 -2.961 4.991 1.00 0.00 O ATOM 162 CB VAL A 11 3.473 -0.764 2.667 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.299 -0.343 1.782 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.369 0.448 2.930 1.00 0.00 C ATOM 0 H VAL A 11 2.301 0.703 4.317 1.00 0.00 H new ATOM 0 HA VAL A 11 2.282 -2.158 3.812 1.00 0.00 H new ATOM 0 HB VAL A 11 4.051 -1.540 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.677 0.045 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.660 -1.205 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.722 0.432 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.747 0.833 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.793 1.224 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.207 0.151 3.561 1.00 0.00 H new ATOM 174 N VAL A 12 4.841 -0.868 5.452 1.00 0.00 N ATOM 175 CA VAL A 12 6.014 -1.257 6.296 1.00 0.00 C ATOM 176 C VAL A 12 5.569 -2.052 7.527 1.00 0.00 C ATOM 177 O VAL A 12 6.255 -2.948 7.976 1.00 0.00 O ATOM 178 CB VAL A 12 6.749 0.004 6.750 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.843 -0.374 7.750 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.382 0.691 5.538 1.00 0.00 C ATOM 0 H VAL A 12 4.674 0.136 5.384 1.00 0.00 H new ATOM 0 HA VAL A 12 6.674 -1.886 5.699 1.00 0.00 H new ATOM 0 HB VAL A 12 6.042 0.684 7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.367 0.525 8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.393 -0.862 8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.550 -1.055 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.906 1.590 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.088 0.011 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.603 0.962 4.825 1.00 0.00 H new ATOM 190 N GLU A 13 4.445 -1.722 8.091 1.00 0.00 N ATOM 191 CA GLU A 13 3.979 -2.450 9.306 1.00 0.00 C ATOM 192 C GLU A 13 3.847 -3.942 9.003 1.00 0.00 C ATOM 193 O GLU A 13 4.054 -4.781 9.857 1.00 0.00 O ATOM 194 CB GLU A 13 2.623 -1.899 9.747 1.00 0.00 C ATOM 195 CG GLU A 13 2.184 -2.579 11.042 1.00 0.00 C ATOM 196 CD GLU A 13 0.776 -2.113 11.412 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.223 -1.319 10.668 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.273 -2.557 12.431 1.00 0.00 O ATOM 0 H GLU A 13 3.826 -0.980 7.765 1.00 0.00 H new ATOM 0 HA GLU A 13 4.707 -2.309 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.689 -0.821 9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.881 -2.068 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.199 -3.662 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.881 -2.339 11.845 1.00 0.00 H new ATOM 205 N GLU A 14 3.490 -4.278 7.800 1.00 0.00 N ATOM 206 CA GLU A 14 3.326 -5.713 7.442 1.00 0.00 C ATOM 207 C GLU A 14 4.672 -6.444 7.491 1.00 0.00 C ATOM 208 O GLU A 14 4.725 -7.628 7.760 1.00 0.00 O ATOM 209 CB GLU A 14 2.753 -5.817 6.027 1.00 0.00 C ATOM 210 CG GLU A 14 2.449 -7.280 5.708 1.00 0.00 C ATOM 211 CD GLU A 14 1.968 -7.399 4.260 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.920 -6.381 3.589 1.00 0.00 O ATOM 213 OE2 GLU A 14 1.657 -8.504 3.848 1.00 0.00 O ATOM 0 H GLU A 14 3.303 -3.619 7.044 1.00 0.00 H new ATOM 0 HA GLU A 14 2.649 -6.175 8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.845 -5.220 5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.464 -5.416 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.341 -7.888 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.687 -7.660 6.388 1.00 0.00 H new ATOM 220 N PHE A 15 5.752 -5.766 7.200 1.00 0.00 N ATOM 221 CA PHE A 15 7.080 -6.454 7.197 1.00 0.00 C ATOM 222 C PHE A 15 7.955 -5.989 8.365 1.00 0.00 C ATOM 223 O PHE A 15 8.440 -6.796 9.134 1.00 0.00 O ATOM 224 CB PHE A 15 7.790 -6.142 5.880 1.00 0.00 C ATOM 225 CG PHE A 15 6.835 -6.390 4.744 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.722 -7.666 4.180 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.047 -5.340 4.263 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.819 -7.890 3.134 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.147 -5.560 3.218 1.00 0.00 C ATOM 230 CZ PHE A 15 5.031 -6.836 2.653 1.00 0.00 C ATOM 0 H PHE A 15 5.774 -4.773 6.966 1.00 0.00 H new ATOM 0 HA PHE A 15 6.916 -7.526 7.305 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.128 -5.106 5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.676 -6.767 5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.331 -8.477 4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.134 -4.357 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.730 -8.874 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.541 -4.747 2.846 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.334 -7.008 1.846 1.00 0.00 H new ATOM 240 N LEU A 16 8.197 -4.708 8.488 1.00 0.00 N ATOM 241 CA LEU A 16 9.081 -4.222 9.591 1.00 0.00 C ATOM 242 C LEU A 16 8.372 -3.170 10.454 1.00 0.00 C ATOM 243 O LEU A 16 8.502 -1.982 10.231 1.00 0.00 O ATOM 244 CB LEU A 16 10.335 -3.602 8.971 1.00 0.00 C ATOM 245 CG LEU A 16 11.542 -4.497 9.259 1.00 0.00 C ATOM 246 CD1 LEU A 16 12.757 -3.978 8.489 1.00 0.00 C ATOM 247 CD2 LEU A 16 11.844 -4.476 10.759 1.00 0.00 C ATOM 0 H LEU A 16 7.823 -3.982 7.877 1.00 0.00 H new ATOM 0 HA LEU A 16 9.339 -5.066 10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.203 -3.487 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.502 -2.606 9.380 1.00 0.00 H new ATOM 0 HG LEU A 16 11.321 -5.517 8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.617 -4.615 8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.543 -3.990 7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.978 -2.958 8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.704 -5.113 10.966 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.065 -3.455 11.071 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.978 -4.844 11.310 1.00 0.00 H new ATOM 259 N PRO A 17 7.654 -3.604 11.456 1.00 0.00 N ATOM 260 CA PRO A 17 6.948 -2.705 12.397 1.00 0.00 C ATOM 261 C PRO A 17 7.802 -2.389 13.631 1.00 0.00 C ATOM 262 O PRO A 17 7.506 -1.487 14.391 1.00 0.00 O ATOM 263 CB PRO A 17 5.722 -3.520 12.795 1.00 0.00 C ATOM 264 CG PRO A 17 6.106 -4.959 12.614 1.00 0.00 C ATOM 265 CD PRO A 17 7.412 -5.004 11.805 1.00 0.00 C ATOM 0 HA PRO A 17 6.711 -1.738 11.953 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.438 -3.319 13.828 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.864 -3.264 12.173 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.240 -5.442 13.582 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.317 -5.502 12.094 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.232 -5.418 12.392 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.311 -5.626 10.916 1.00 0.00 H new ATOM 273 N ASP A 18 8.860 -3.132 13.840 1.00 0.00 N ATOM 274 CA ASP A 18 9.730 -2.885 15.023 1.00 0.00 C ATOM 275 C ASP A 18 10.600 -1.656 14.765 1.00 0.00 C ATOM 276 O ASP A 18 11.330 -1.205 15.625 1.00 0.00 O ATOM 277 CB ASP A 18 10.621 -4.102 15.253 1.00 0.00 C ATOM 278 CG ASP A 18 9.763 -5.290 15.692 1.00 0.00 C ATOM 279 OD1 ASP A 18 8.605 -5.073 16.012 1.00 0.00 O ATOM 280 OD2 ASP A 18 10.277 -6.396 15.701 1.00 0.00 O ATOM 0 H ASP A 18 9.157 -3.901 13.239 1.00 0.00 H new ATOM 0 HA ASP A 18 9.113 -2.712 15.904 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.161 -4.348 14.339 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.369 -3.879 16.014 1.00 0.00 H new ATOM 285 N VAL A 19 10.509 -1.103 13.589 1.00 0.00 N ATOM 286 CA VAL A 19 11.306 0.110 13.258 1.00 0.00 C ATOM 287 C VAL A 19 10.331 1.262 13.049 1.00 0.00 C ATOM 288 O VAL A 19 9.231 1.061 12.576 1.00 0.00 O ATOM 289 CB VAL A 19 12.099 -0.129 11.973 1.00 0.00 C ATOM 290 CG1 VAL A 19 11.136 -0.212 10.788 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.076 1.029 11.755 1.00 0.00 C ATOM 0 H VAL A 19 9.911 -1.443 12.836 1.00 0.00 H new ATOM 0 HA VAL A 19 12.005 0.339 14.062 1.00 0.00 H new ATOM 0 HB VAL A 19 12.654 -1.063 12.057 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.701 -0.382 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.439 -1.035 10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.581 0.722 10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.642 0.860 10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.520 1.963 11.671 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.762 1.090 12.600 1.00 0.00 H new ATOM 301 N ALA A 20 10.697 2.463 13.397 1.00 0.00 N ATOM 302 CA ALA A 20 9.741 3.584 13.205 1.00 0.00 C ATOM 303 C ALA A 20 9.426 3.700 11.706 1.00 0.00 C ATOM 304 O ALA A 20 10.299 3.999 10.916 1.00 0.00 O ATOM 305 CB ALA A 20 10.384 4.885 13.689 1.00 0.00 C ATOM 0 H ALA A 20 11.600 2.713 13.799 1.00 0.00 H new ATOM 0 HA ALA A 20 8.827 3.401 13.770 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.685 5.710 13.550 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.634 4.796 14.746 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.291 5.077 13.116 1.00 0.00 H new ATOM 311 N PRO A 21 8.195 3.463 11.302 1.00 0.00 N ATOM 312 CA PRO A 21 7.819 3.552 9.867 1.00 0.00 C ATOM 313 C PRO A 21 7.953 4.978 9.329 1.00 0.00 C ATOM 314 O PRO A 21 8.290 5.191 8.181 1.00 0.00 O ATOM 315 CB PRO A 21 6.370 3.061 9.796 1.00 0.00 C ATOM 316 CG PRO A 21 5.874 2.919 11.201 1.00 0.00 C ATOM 317 CD PRO A 21 7.053 3.100 12.156 1.00 0.00 C ATOM 0 HA PRO A 21 8.481 2.949 9.246 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.753 3.767 9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.314 2.107 9.271 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.103 3.662 11.407 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.419 1.939 11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.848 3.879 12.890 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.253 2.184 12.711 1.00 0.00 H new ATOM 325 N ALA A 22 7.706 5.956 10.156 1.00 0.00 N ATOM 326 CA ALA A 22 7.835 7.370 9.702 1.00 0.00 C ATOM 327 C ALA A 22 9.318 7.705 9.545 1.00 0.00 C ATOM 328 O ALA A 22 9.685 8.692 8.938 1.00 0.00 O ATOM 329 CB ALA A 22 7.206 8.302 10.740 1.00 0.00 C ATOM 0 H ALA A 22 7.420 5.837 11.128 1.00 0.00 H new ATOM 0 HA ALA A 22 7.323 7.500 8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.301 9.335 10.406 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.151 8.055 10.859 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.717 8.181 11.695 1.00 0.00 H new ATOM 335 N ASP A 23 10.172 6.884 10.092 1.00 0.00 N ATOM 336 CA ASP A 23 11.634 7.137 9.986 1.00 0.00 C ATOM 337 C ASP A 23 12.179 6.402 8.765 1.00 0.00 C ATOM 338 O ASP A 23 13.371 6.356 8.532 1.00 0.00 O ATOM 339 CB ASP A 23 12.335 6.625 11.247 1.00 0.00 C ATOM 340 CG ASP A 23 11.905 7.469 12.448 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.304 8.508 12.233 1.00 0.00 O ATOM 342 OD2 ASP A 23 12.182 7.061 13.564 1.00 0.00 O ATOM 0 H ASP A 23 9.917 6.044 10.611 1.00 0.00 H new ATOM 0 HA ASP A 23 11.816 8.207 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.083 5.578 11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.416 6.677 11.121 1.00 0.00 H new ATOM 347 N VAL A 24 11.311 5.831 7.979 1.00 0.00 N ATOM 348 CA VAL A 24 11.769 5.102 6.768 1.00 0.00 C ATOM 349 C VAL A 24 11.678 6.042 5.569 1.00 0.00 C ATOM 350 O VAL A 24 10.721 6.772 5.413 1.00 0.00 O ATOM 351 CB VAL A 24 10.875 3.882 6.534 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.402 3.085 5.340 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.884 2.996 7.782 1.00 0.00 C ATOM 0 H VAL A 24 10.301 5.839 8.125 1.00 0.00 H new ATOM 0 HA VAL A 24 12.798 4.768 6.901 1.00 0.00 H new ATOM 0 HB VAL A 24 9.856 4.212 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.766 2.216 5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.396 3.715 4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.421 2.755 5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.247 2.127 7.616 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.902 2.666 7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.509 3.563 8.634 1.00 0.00 H new ATOM 363 N ASP A 25 12.671 6.041 4.726 1.00 0.00 N ATOM 364 CA ASP A 25 12.636 6.949 3.550 1.00 0.00 C ATOM 365 C ASP A 25 11.438 6.600 2.669 1.00 0.00 C ATOM 366 O ASP A 25 11.528 5.782 1.776 1.00 0.00 O ATOM 367 CB ASP A 25 13.925 6.787 2.742 1.00 0.00 C ATOM 368 CG ASP A 25 15.111 7.298 3.563 1.00 0.00 C ATOM 369 OD1 ASP A 25 14.873 7.948 4.568 1.00 0.00 O ATOM 370 OD2 ASP A 25 16.235 7.030 3.173 1.00 0.00 O ATOM 0 H ASP A 25 13.501 5.453 4.800 1.00 0.00 H new ATOM 0 HA ASP A 25 12.547 7.980 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.074 5.739 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.852 7.341 1.806 1.00 0.00 H new ATOM 375 N VAL A 26 10.313 7.219 2.911 1.00 0.00 N ATOM 376 CA VAL A 26 9.110 6.927 2.084 1.00 0.00 C ATOM 377 C VAL A 26 9.407 7.237 0.613 1.00 0.00 C ATOM 378 O VAL A 26 8.537 7.169 -0.233 1.00 0.00 O ATOM 379 CB VAL A 26 7.951 7.801 2.562 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.977 9.138 1.820 1.00 0.00 C ATOM 381 CG2 VAL A 26 6.629 7.090 2.282 1.00 0.00 C ATOM 0 H VAL A 26 10.177 7.913 3.646 1.00 0.00 H new ATOM 0 HA VAL A 26 8.846 5.874 2.183 1.00 0.00 H new ATOM 0 HB VAL A 26 8.050 7.979 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.150 9.760 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.920 9.647 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.879 8.962 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.802 7.713 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.532 6.911 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.609 6.138 2.812 1.00 0.00 H new ATOM 391 N ASP A 27 10.630 7.568 0.297 1.00 0.00 N ATOM 392 CA ASP A 27 10.981 7.868 -1.117 1.00 0.00 C ATOM 393 C ASP A 27 11.604 6.622 -1.750 1.00 0.00 C ATOM 394 O ASP A 27 12.163 6.670 -2.827 1.00 0.00 O ATOM 395 CB ASP A 27 11.984 9.023 -1.163 1.00 0.00 C ATOM 396 CG ASP A 27 11.312 10.303 -0.664 1.00 0.00 C ATOM 397 OD1 ASP A 27 10.094 10.311 -0.570 1.00 0.00 O ATOM 398 OD2 ASP A 27 12.024 11.253 -0.386 1.00 0.00 O ATOM 0 H ASP A 27 11.401 7.643 0.960 1.00 0.00 H new ATOM 0 HA ASP A 27 10.084 8.152 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.851 8.790 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.347 9.163 -2.181 1.00 0.00 H new ATOM 403 N LEU A 28 11.513 5.505 -1.079 1.00 0.00 N ATOM 404 CA LEU A 28 12.102 4.251 -1.628 1.00 0.00 C ATOM 405 C LEU A 28 11.068 3.530 -2.486 1.00 0.00 C ATOM 406 O LEU A 28 9.926 3.372 -2.104 1.00 0.00 O ATOM 407 CB LEU A 28 12.525 3.340 -0.476 1.00 0.00 C ATOM 408 CG LEU A 28 13.254 2.114 -1.034 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.594 2.538 -1.641 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.504 1.115 0.097 1.00 0.00 C ATOM 0 H LEU A 28 11.055 5.408 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 28 12.971 4.499 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.176 3.882 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.650 3.028 0.094 1.00 0.00 H new ATOM 0 HG LEU A 28 12.640 1.651 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.108 1.662 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.419 3.250 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.210 3.004 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.023 0.241 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.116 1.583 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.551 0.807 0.528 1.00 0.00 H new ATOM 422 N ASP A 29 11.464 3.086 -3.645 1.00 0.00 N ATOM 423 CA ASP A 29 10.508 2.372 -4.528 1.00 0.00 C ATOM 424 C ASP A 29 10.096 1.063 -3.858 1.00 0.00 C ATOM 425 O ASP A 29 10.921 0.232 -3.537 1.00 0.00 O ATOM 426 CB ASP A 29 11.182 2.070 -5.869 1.00 0.00 C ATOM 427 CG ASP A 29 11.424 3.377 -6.625 1.00 0.00 C ATOM 428 OD1 ASP A 29 10.897 4.393 -6.200 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.134 3.342 -7.618 1.00 0.00 O ATOM 0 H ASP A 29 12.408 3.188 -4.017 1.00 0.00 H new ATOM 0 HA ASP A 29 9.628 2.992 -4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.127 1.552 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.554 1.406 -6.462 1.00 0.00 H new ATOM 434 N LEU A 30 8.825 0.872 -3.639 1.00 0.00 N ATOM 435 CA LEU A 30 8.373 -0.384 -2.986 1.00 0.00 C ATOM 436 C LEU A 30 8.750 -1.570 -3.874 1.00 0.00 C ATOM 437 O LEU A 30 8.592 -2.714 -3.498 1.00 0.00 O ATOM 438 CB LEU A 30 6.853 -0.364 -2.787 1.00 0.00 C ATOM 439 CG LEU A 30 6.452 0.861 -1.965 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.947 0.816 -1.692 1.00 0.00 C ATOM 441 CD2 LEU A 30 7.209 0.853 -0.634 1.00 0.00 C ATOM 0 H LEU A 30 8.084 1.529 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 30 8.855 -0.474 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.351 -0.344 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.532 -1.274 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 30 6.698 1.768 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.657 1.688 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.405 0.818 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.705 -0.091 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.923 1.726 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.962 -0.053 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.282 0.880 -0.825 1.00 0.00 H new ATOM 453 N VAL A 31 9.239 -1.307 -5.058 1.00 0.00 N ATOM 454 CA VAL A 31 9.613 -2.427 -5.963 1.00 0.00 C ATOM 455 C VAL A 31 10.494 -3.411 -5.199 1.00 0.00 C ATOM 456 O VAL A 31 10.338 -4.611 -5.302 1.00 0.00 O ATOM 457 CB VAL A 31 10.378 -1.881 -7.171 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.799 -1.502 -6.749 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.439 -2.954 -8.261 1.00 0.00 C ATOM 0 H VAL A 31 9.394 -0.371 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 31 8.713 -2.933 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 31 9.867 -0.998 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.343 -1.113 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.756 -0.739 -5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.312 -2.384 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.983 -2.567 -9.122 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.950 -3.836 -7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.427 -3.224 -8.563 1.00 0.00 H new ATOM 469 N ASP A 32 11.402 -2.914 -4.407 1.00 0.00 N ATOM 470 CA ASP A 32 12.265 -3.830 -3.612 1.00 0.00 C ATOM 471 C ASP A 32 11.348 -4.677 -2.736 1.00 0.00 C ATOM 472 O ASP A 32 11.573 -5.851 -2.516 1.00 0.00 O ATOM 473 CB ASP A 32 13.217 -3.013 -2.732 1.00 0.00 C ATOM 474 CG ASP A 32 14.214 -2.264 -3.617 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.291 -2.583 -4.791 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.886 -1.383 -3.104 1.00 0.00 O ATOM 0 H ASP A 32 11.583 -1.919 -4.276 1.00 0.00 H new ATOM 0 HA ASP A 32 12.862 -4.463 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.651 -2.306 -2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.748 -3.671 -2.044 1.00 0.00 H new ATOM 481 N ASN A 33 10.296 -4.075 -2.256 1.00 0.00 N ATOM 482 CA ASN A 33 9.316 -4.803 -1.412 1.00 0.00 C ATOM 483 C ASN A 33 8.316 -5.502 -2.324 1.00 0.00 C ATOM 484 O ASN A 33 7.243 -5.888 -1.906 1.00 0.00 O ATOM 485 CB ASN A 33 8.578 -3.822 -0.510 1.00 0.00 C ATOM 486 CG ASN A 33 9.577 -3.139 0.419 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.600 -3.701 0.755 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.319 -1.938 0.847 1.00 0.00 N ATOM 0 H ASN A 33 10.073 -3.093 -2.417 1.00 0.00 H new ATOM 0 HA ASN A 33 9.835 -5.533 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.057 -3.078 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.821 -4.346 0.074 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.977 -1.465 1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.459 -1.469 0.563 1.00 0.00 H new ATOM 495 N GLY A 34 8.657 -5.642 -3.578 1.00 0.00 N ATOM 496 CA GLY A 34 7.734 -6.297 -4.544 1.00 0.00 C ATOM 497 C GLY A 34 7.087 -7.513 -3.887 1.00 0.00 C ATOM 498 O GLY A 34 6.095 -8.031 -4.357 1.00 0.00 O ATOM 0 H GLY A 34 9.542 -5.327 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.967 -5.592 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.281 -6.601 -5.437 1.00 0.00 H new ATOM 502 N VAL A 35 7.618 -7.966 -2.789 1.00 0.00 N ATOM 503 CA VAL A 35 6.996 -9.130 -2.109 1.00 0.00 C ATOM 504 C VAL A 35 5.521 -8.801 -1.871 1.00 0.00 C ATOM 505 O VAL A 35 4.651 -9.638 -2.008 1.00 0.00 O ATOM 506 CB VAL A 35 7.692 -9.375 -0.767 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.901 -10.405 0.041 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.107 -9.902 -1.017 1.00 0.00 C ATOM 0 H VAL A 35 8.449 -7.584 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 35 7.093 -10.026 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 35 7.743 -8.440 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.398 -10.578 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.893 -10.031 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.848 -11.341 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.604 -10.077 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.054 -10.837 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.672 -9.168 -1.591 1.00 0.00 H new ATOM 518 N ILE A 36 5.241 -7.573 -1.522 1.00 0.00 N ATOM 519 CA ILE A 36 3.831 -7.156 -1.277 1.00 0.00 C ATOM 520 C ILE A 36 3.065 -7.094 -2.600 1.00 0.00 C ATOM 521 O ILE A 36 1.859 -7.194 -2.634 1.00 0.00 O ATOM 522 CB ILE A 36 3.825 -5.760 -0.659 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.498 -5.525 0.062 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.982 -4.718 -1.768 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.442 -4.084 0.573 1.00 0.00 C ATOM 0 H ILE A 36 5.935 -6.836 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 36 3.359 -7.878 -0.610 1.00 0.00 H new ATOM 0 HB ILE A 36 4.647 -5.674 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.665 -5.714 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.396 -6.221 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.978 -3.719 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.924 -4.882 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.155 -4.809 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.496 -3.917 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.266 -3.911 1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.524 -3.396 -0.268 1.00 0.00 H new ATOM 537 N ASP A 37 3.758 -6.897 -3.684 1.00 0.00 N ATOM 538 CA ASP A 37 3.071 -6.788 -5.004 1.00 0.00 C ATOM 539 C ASP A 37 2.337 -8.086 -5.357 1.00 0.00 C ATOM 540 O ASP A 37 1.337 -8.062 -6.046 1.00 0.00 O ATOM 541 CB ASP A 37 4.095 -6.472 -6.098 1.00 0.00 C ATOM 542 CG ASP A 37 4.682 -5.079 -5.864 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.654 -4.749 -6.523 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.151 -4.367 -5.028 1.00 0.00 O ATOM 0 H ASP A 37 4.773 -6.806 -3.716 1.00 0.00 H new ATOM 0 HA ASP A 37 2.338 -5.984 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.890 -7.218 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.621 -6.518 -7.078 1.00 0.00 H new ATOM 549 N SER A 38 2.827 -9.218 -4.924 1.00 0.00 N ATOM 550 CA SER A 38 2.147 -10.497 -5.281 1.00 0.00 C ATOM 551 C SER A 38 1.370 -11.063 -4.089 1.00 0.00 C ATOM 552 O SER A 38 0.162 -11.186 -4.131 1.00 0.00 O ATOM 553 CB SER A 38 3.194 -11.517 -5.732 1.00 0.00 C ATOM 554 OG SER A 38 3.207 -11.574 -7.165 1.00 0.00 O ATOM 0 H SER A 38 3.661 -9.312 -4.344 1.00 0.00 H new ATOM 0 HA SER A 38 1.441 -10.297 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.178 -11.236 -5.358 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.965 -12.499 -5.319 1.00 0.00 H new ATOM 559 N LEU A 39 2.049 -11.439 -3.043 1.00 0.00 N ATOM 560 CA LEU A 39 1.338 -12.031 -1.874 1.00 0.00 C ATOM 561 C LEU A 39 0.591 -10.956 -1.087 1.00 0.00 C ATOM 562 O LEU A 39 -0.589 -11.077 -0.821 1.00 0.00 O ATOM 563 CB LEU A 39 2.353 -12.707 -0.958 1.00 0.00 C ATOM 564 CG LEU A 39 3.215 -13.678 -1.764 1.00 0.00 C ATOM 565 CD1 LEU A 39 4.014 -14.550 -0.803 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.329 -14.570 -2.638 1.00 0.00 C ATOM 0 H LEU A 39 3.061 -11.363 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 39 0.615 -12.759 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.984 -11.956 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.837 -13.241 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 39 3.890 -13.111 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.632 -15.246 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.653 -13.919 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.330 -15.110 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.954 -15.258 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.648 -15.139 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.753 -13.950 -3.325 1.00 0.00 H new ATOM 578 N GLY A 40 1.263 -9.911 -0.707 1.00 0.00 N ATOM 579 CA GLY A 40 0.584 -8.836 0.068 1.00 0.00 C ATOM 580 C GLY A 40 -0.489 -8.180 -0.796 1.00 0.00 C ATOM 581 O GLY A 40 -1.540 -7.799 -0.321 1.00 0.00 O ATOM 0 H GLY A 40 2.252 -9.752 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.135 -9.252 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.312 -8.091 0.390 1.00 0.00 H new ATOM 585 N LEU A 41 -0.224 -8.038 -2.063 1.00 0.00 N ATOM 586 CA LEU A 41 -1.218 -7.399 -2.967 1.00 0.00 C ATOM 587 C LEU A 41 -2.497 -8.226 -2.974 1.00 0.00 C ATOM 588 O LEU A 41 -3.591 -7.700 -2.967 1.00 0.00 O ATOM 589 CB LEU A 41 -0.635 -7.331 -4.381 1.00 0.00 C ATOM 590 CG LEU A 41 -1.527 -6.472 -5.285 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.653 -5.686 -6.265 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.479 -7.373 -6.079 1.00 0.00 C ATOM 0 H LEU A 41 0.641 -8.338 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.445 -6.391 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.371 -6.912 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.548 -8.336 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.104 -5.783 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.286 -5.075 -6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.028 -5.042 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.077 -6.381 -6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.111 -6.759 -6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.900 -8.062 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.104 -7.940 -5.389 1.00 0.00 H new ATOM 604 N LEU A 42 -2.368 -9.520 -2.985 1.00 0.00 N ATOM 605 CA LEU A 42 -3.583 -10.378 -2.987 1.00 0.00 C ATOM 606 C LEU A 42 -4.381 -10.104 -1.714 1.00 0.00 C ATOM 607 O LEU A 42 -5.588 -9.958 -1.742 1.00 0.00 O ATOM 608 CB LEU A 42 -3.167 -11.851 -3.027 1.00 0.00 C ATOM 609 CG LEU A 42 -4.411 -12.734 -3.140 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.032 -12.569 -4.524 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.014 -14.198 -2.933 1.00 0.00 C ATOM 0 H LEU A 42 -1.479 -10.020 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.195 -10.156 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.504 -12.029 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.609 -12.106 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.135 -12.439 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.918 -13.199 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.313 -11.527 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.309 -12.863 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.899 -14.830 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.290 -14.490 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.570 -14.318 -1.945 1.00 0.00 H new ATOM 623 N LYS A 43 -3.712 -10.022 -0.597 1.00 0.00 N ATOM 624 CA LYS A 43 -4.419 -9.747 0.681 1.00 0.00 C ATOM 625 C LYS A 43 -4.922 -8.300 0.698 1.00 0.00 C ATOM 626 O LYS A 43 -6.005 -8.012 1.168 1.00 0.00 O ATOM 627 CB LYS A 43 -3.454 -9.965 1.841 1.00 0.00 C ATOM 628 CG LYS A 43 -3.049 -11.440 1.899 1.00 0.00 C ATOM 629 CD LYS A 43 -2.167 -11.682 3.125 1.00 0.00 C ATOM 630 CE LYS A 43 -1.671 -13.129 3.121 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.409 -13.219 2.334 1.00 0.00 N ATOM 0 H LYS A 43 -2.701 -10.134 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.271 -10.420 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.570 -9.339 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.924 -9.669 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.937 -12.070 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.512 -11.716 0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.320 -10.996 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.731 -11.482 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.500 -13.469 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.429 -13.783 2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.071 -14.203 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.587 -12.911 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.313 -12.606 2.764 1.00 0.00 H new ATOM 645 N VAL A 44 -4.133 -7.385 0.201 1.00 0.00 N ATOM 646 CA VAL A 44 -4.549 -5.952 0.201 1.00 0.00 C ATOM 647 C VAL A 44 -5.759 -5.745 -0.712 1.00 0.00 C ATOM 648 O VAL A 44 -6.709 -5.080 -0.356 1.00 0.00 O ATOM 649 CB VAL A 44 -3.389 -5.092 -0.295 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.866 -3.651 -0.475 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.256 -5.131 0.733 1.00 0.00 C ATOM 0 H VAL A 44 -3.216 -7.569 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.822 -5.664 1.216 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.029 -5.476 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.039 -3.036 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.676 -3.624 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.223 -3.264 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.426 -4.518 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.616 -4.744 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.918 -6.159 0.863 1.00 0.00 H new ATOM 661 N ILE A 45 -5.732 -6.301 -1.890 1.00 0.00 N ATOM 662 CA ILE A 45 -6.879 -6.127 -2.821 1.00 0.00 C ATOM 663 C ILE A 45 -8.136 -6.752 -2.213 1.00 0.00 C ATOM 664 O ILE A 45 -9.206 -6.177 -2.249 1.00 0.00 O ATOM 665 CB ILE A 45 -6.551 -6.805 -4.154 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.951 -5.775 -5.114 1.00 0.00 C ATOM 667 CG2 ILE A 45 -7.823 -7.390 -4.767 1.00 0.00 C ATOM 668 CD1 ILE A 45 -4.812 -5.023 -4.423 1.00 0.00 C ATOM 0 H ILE A 45 -4.964 -6.869 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.058 -5.065 -2.988 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.834 -7.608 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.579 -6.273 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.720 -5.073 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.582 -7.871 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.250 -8.125 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.545 -6.591 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.389 -4.291 -5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.196 -4.511 -3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.038 -5.730 -4.124 1.00 0.00 H new ATOM 680 N ALA A 46 -8.016 -7.926 -1.660 1.00 0.00 N ATOM 681 CA ALA A 46 -9.206 -8.587 -1.056 1.00 0.00 C ATOM 682 C ALA A 46 -9.721 -7.754 0.118 1.00 0.00 C ATOM 683 O ALA A 46 -10.909 -7.558 0.281 1.00 0.00 O ATOM 684 CB ALA A 46 -8.804 -9.974 -0.551 1.00 0.00 C ATOM 0 H ALA A 46 -7.147 -8.456 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.992 -8.676 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.670 -10.465 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.436 -10.572 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.019 -9.875 0.199 1.00 0.00 H new ATOM 690 N TRP A 47 -8.837 -7.263 0.940 1.00 0.00 N ATOM 691 CA TRP A 47 -9.269 -6.444 2.106 1.00 0.00 C ATOM 692 C TRP A 47 -9.664 -5.041 1.642 1.00 0.00 C ATOM 693 O TRP A 47 -10.652 -4.486 2.079 1.00 0.00 O ATOM 694 CB TRP A 47 -8.113 -6.348 3.103 1.00 0.00 C ATOM 695 CG TRP A 47 -8.191 -5.055 3.846 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.930 -4.839 4.958 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.513 -3.801 3.555 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.746 -3.529 5.368 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.880 -2.850 4.534 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.623 -3.401 2.544 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.380 -1.547 4.512 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.117 -2.093 2.518 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.494 -1.168 3.500 1.00 0.00 C ATOM 0 H TRP A 47 -7.829 -7.394 0.854 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.130 -6.914 2.581 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.154 -7.183 3.803 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.161 -6.419 2.577 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.560 -5.568 5.446 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.195 -3.116 6.186 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.326 -4.106 1.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.675 -0.838 5.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.433 -1.797 1.736 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.100 -0.163 3.475 1.00 0.00 H new ATOM 714 N LEU A 48 -8.889 -4.457 0.770 1.00 0.00 N ATOM 715 CA LEU A 48 -9.205 -3.085 0.286 1.00 0.00 C ATOM 716 C LEU A 48 -10.597 -3.060 -0.348 1.00 0.00 C ATOM 717 O LEU A 48 -11.408 -2.207 -0.049 1.00 0.00 O ATOM 718 CB LEU A 48 -8.158 -2.678 -0.753 1.00 0.00 C ATOM 719 CG LEU A 48 -8.351 -1.218 -1.150 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.663 -0.326 -0.123 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.731 -0.986 -2.527 1.00 0.00 C ATOM 0 H LEU A 48 -8.048 -4.873 0.371 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.190 -2.388 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.157 -2.823 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.241 -3.316 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.414 -0.980 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.797 0.719 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.100 -0.499 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.599 -0.560 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.866 0.056 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.666 -1.217 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.218 -1.631 -3.258 1.00 0.00 H new ATOM 733 N GLU A 49 -10.888 -3.994 -1.212 1.00 0.00 N ATOM 734 CA GLU A 49 -12.236 -4.019 -1.845 1.00 0.00 C ATOM 735 C GLU A 49 -13.274 -4.363 -0.780 1.00 0.00 C ATOM 736 O GLU A 49 -14.353 -3.815 -0.748 1.00 0.00 O ATOM 737 CB GLU A 49 -12.254 -5.063 -2.970 1.00 0.00 C ATOM 738 CG GLU A 49 -13.661 -5.639 -3.135 1.00 0.00 C ATOM 739 CD GLU A 49 -13.722 -6.482 -4.409 1.00 0.00 C ATOM 740 OE1 GLU A 49 -14.808 -6.917 -4.757 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.682 -6.680 -5.017 1.00 0.00 O ATOM 0 H GLU A 49 -10.254 -4.737 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.470 -3.044 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.928 -4.606 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.550 -5.864 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.919 -6.250 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.392 -4.832 -3.185 1.00 0.00 H new ATOM 748 N ASP A 50 -12.943 -5.266 0.094 1.00 0.00 N ATOM 749 CA ASP A 50 -13.889 -5.656 1.171 1.00 0.00 C ATOM 750 C ASP A 50 -14.141 -4.472 2.109 1.00 0.00 C ATOM 751 O ASP A 50 -15.245 -4.250 2.564 1.00 0.00 O ATOM 752 CB ASP A 50 -13.264 -6.799 1.962 1.00 0.00 C ATOM 753 CG ASP A 50 -13.265 -8.073 1.117 1.00 0.00 C ATOM 754 OD1 ASP A 50 -13.895 -8.067 0.072 1.00 0.00 O ATOM 755 OD2 ASP A 50 -12.638 -9.034 1.529 1.00 0.00 O ATOM 0 H ASP A 50 -12.048 -5.756 0.109 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.839 -5.964 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.244 -6.541 2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.821 -6.963 2.884 1.00 0.00 H new ATOM 760 N ARG A 51 -13.116 -3.731 2.422 1.00 0.00 N ATOM 761 CA ARG A 51 -13.275 -2.579 3.356 1.00 0.00 C ATOM 762 C ARG A 51 -14.244 -1.532 2.790 1.00 0.00 C ATOM 763 O ARG A 51 -15.088 -1.024 3.501 1.00 0.00 O ATOM 764 CB ARG A 51 -11.911 -1.931 3.592 1.00 0.00 C ATOM 765 CG ARG A 51 -12.041 -0.842 4.659 1.00 0.00 C ATOM 766 CD ARG A 51 -10.683 -0.172 4.876 1.00 0.00 C ATOM 767 NE ARG A 51 -10.793 0.823 5.979 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.839 1.694 6.170 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.937 2.566 7.137 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.790 1.694 5.395 1.00 0.00 N ATOM 0 H ARG A 51 -12.169 -3.873 2.070 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.685 -2.952 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.189 -2.683 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.535 -1.502 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.778 -0.101 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.398 -1.275 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.930 -0.921 5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.357 0.319 3.959 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.613 0.824 6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.758 2.566 7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.192 3.247 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.714 1.013 4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.045 2.375 5.545 1.00 0.00 H new ATOM 784 N PHE A 52 -14.124 -1.189 1.531 1.00 0.00 N ATOM 785 CA PHE A 52 -15.034 -0.156 0.952 1.00 0.00 C ATOM 786 C PHE A 52 -15.953 -0.766 -0.110 1.00 0.00 C ATOM 787 O PHE A 52 -16.793 -0.092 -0.671 1.00 0.00 O ATOM 788 CB PHE A 52 -14.190 0.955 0.328 1.00 0.00 C ATOM 789 CG PHE A 52 -13.713 1.883 1.418 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.441 1.718 1.980 1.00 0.00 C ATOM 791 CD2 PHE A 52 -14.550 2.909 1.872 1.00 0.00 C ATOM 792 CE1 PHE A 52 -12.008 2.580 2.996 1.00 0.00 C ATOM 793 CE2 PHE A 52 -14.117 3.771 2.887 1.00 0.00 C ATOM 794 CZ PHE A 52 -12.846 3.605 3.449 1.00 0.00 C ATOM 0 H PHE A 52 -13.439 -1.578 0.883 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.659 0.249 1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.338 0.528 -0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.778 1.507 -0.406 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.794 0.927 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.531 3.036 1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.027 2.453 3.430 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.763 4.563 3.236 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.512 4.268 4.233 1.00 0.00 H new ATOM 804 N GLY A 53 -15.811 -2.029 -0.391 1.00 0.00 N ATOM 805 CA GLY A 53 -16.693 -2.657 -1.416 1.00 0.00 C ATOM 806 C GLY A 53 -16.338 -2.109 -2.799 1.00 0.00 C ATOM 807 O GLY A 53 -17.200 -1.878 -3.624 1.00 0.00 O ATOM 0 H GLY A 53 -15.128 -2.652 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.573 -3.740 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.738 -2.449 -1.188 1.00 0.00 H new ATOM 811 N ILE A 54 -15.079 -1.892 -3.059 1.00 0.00 N ATOM 812 CA ILE A 54 -14.672 -1.353 -4.388 1.00 0.00 C ATOM 813 C ILE A 54 -14.259 -2.511 -5.297 1.00 0.00 C ATOM 814 O ILE A 54 -13.664 -3.471 -4.860 1.00 0.00 O ATOM 815 CB ILE A 54 -13.492 -0.401 -4.205 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.882 0.706 -3.224 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.121 0.219 -5.553 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.641 1.513 -2.845 1.00 0.00 C ATOM 0 H ILE A 54 -14.313 -2.065 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.506 -0.816 -4.840 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.637 -0.952 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.630 1.359 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.334 0.273 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.279 0.898 -5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.845 -0.570 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.974 0.771 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.919 2.302 -2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.908 0.855 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.209 1.958 -3.741 1.00 0.00 H new ATOM 830 N ALA A 55 -14.573 -2.436 -6.558 1.00 0.00 N ATOM 831 CA ALA A 55 -14.198 -3.544 -7.479 1.00 0.00 C ATOM 832 C ALA A 55 -12.676 -3.681 -7.519 1.00 0.00 C ATOM 833 O ALA A 55 -11.954 -2.705 -7.546 1.00 0.00 O ATOM 834 CB ALA A 55 -14.720 -3.240 -8.885 1.00 0.00 C ATOM 0 H ALA A 55 -15.072 -1.658 -6.991 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.638 -4.476 -7.123 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.445 -4.052 -9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.805 -3.143 -8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.282 -2.308 -9.242 1.00 0.00 H new ATOM 840 N ALA A 56 -12.183 -4.890 -7.520 1.00 0.00 N ATOM 841 CA ALA A 56 -10.709 -5.094 -7.556 1.00 0.00 C ATOM 842 C ALA A 56 -10.147 -4.523 -8.860 1.00 0.00 C ATOM 843 O ALA A 56 -9.033 -4.039 -8.910 1.00 0.00 O ATOM 844 CB ALA A 56 -10.401 -6.591 -7.481 1.00 0.00 C ATOM 0 H ALA A 56 -12.739 -5.745 -7.497 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.250 -4.585 -6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.322 -6.742 -7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.802 -6.999 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.859 -7.100 -8.329 1.00 0.00 H new ATOM 850 N ASP A 57 -10.911 -4.580 -9.916 1.00 0.00 N ATOM 851 CA ASP A 57 -10.426 -4.046 -11.221 1.00 0.00 C ATOM 852 C ASP A 57 -10.052 -2.570 -11.073 1.00 0.00 C ATOM 853 O ASP A 57 -9.092 -2.104 -11.653 1.00 0.00 O ATOM 854 CB ASP A 57 -11.528 -4.189 -12.270 1.00 0.00 C ATOM 855 CG ASP A 57 -11.756 -5.671 -12.575 1.00 0.00 C ATOM 856 OD1 ASP A 57 -10.933 -6.473 -12.165 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.748 -5.979 -13.213 1.00 0.00 O ATOM 0 H ASP A 57 -11.852 -4.974 -9.932 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.547 -4.609 -11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.451 -3.736 -11.907 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.249 -3.659 -13.180 1.00 0.00 H new ATOM 862 N ASP A 58 -10.800 -1.828 -10.302 1.00 0.00 N ATOM 863 CA ASP A 58 -10.480 -0.383 -10.126 1.00 0.00 C ATOM 864 C ASP A 58 -9.035 -0.238 -9.649 1.00 0.00 C ATOM 865 O ASP A 58 -8.327 0.666 -10.043 1.00 0.00 O ATOM 866 CB ASP A 58 -11.423 0.226 -9.090 1.00 0.00 C ATOM 867 CG ASP A 58 -11.262 1.748 -9.084 1.00 0.00 C ATOM 868 OD1 ASP A 58 -11.865 2.384 -8.237 1.00 0.00 O ATOM 869 OD2 ASP A 58 -10.538 2.250 -9.929 1.00 0.00 O ATOM 0 H ASP A 58 -11.616 -2.159 -9.788 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.603 0.136 -11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.454 -0.040 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.203 -0.177 -8.101 1.00 0.00 H new ATOM 874 N VAL A 59 -8.593 -1.126 -8.803 1.00 0.00 N ATOM 875 CA VAL A 59 -7.193 -1.045 -8.299 1.00 0.00 C ATOM 876 C VAL A 59 -6.215 -1.231 -9.460 1.00 0.00 C ATOM 877 O VAL A 59 -5.174 -0.608 -9.510 1.00 0.00 O ATOM 878 CB VAL A 59 -6.964 -2.140 -7.259 1.00 0.00 C ATOM 879 CG1 VAL A 59 -5.488 -2.168 -6.862 1.00 0.00 C ATOM 880 CG2 VAL A 59 -7.819 -1.855 -6.022 1.00 0.00 C ATOM 0 H VAL A 59 -9.141 -1.905 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.029 -0.068 -7.843 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.244 -3.105 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.326 -2.950 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.878 -2.371 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.206 -1.203 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.656 -2.636 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.539 -0.890 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.872 -1.836 -6.304 1.00 0.00 H new ATOM 890 N GLU A 60 -6.543 -2.090 -10.388 1.00 0.00 N ATOM 891 CA GLU A 60 -5.637 -2.331 -11.550 1.00 0.00 C ATOM 892 C GLU A 60 -4.271 -2.806 -11.048 1.00 0.00 C ATOM 893 O GLU A 60 -3.660 -2.188 -10.200 1.00 0.00 O ATOM 894 CB GLU A 60 -5.466 -1.044 -12.357 1.00 0.00 C ATOM 895 CG GLU A 60 -4.630 -1.337 -13.597 1.00 0.00 C ATOM 896 CD GLU A 60 -4.402 -0.044 -14.380 1.00 0.00 C ATOM 897 OE1 GLU A 60 -4.855 0.992 -13.922 1.00 0.00 O ATOM 898 OE2 GLU A 60 -3.776 -0.111 -15.426 1.00 0.00 O ATOM 0 H GLU A 60 -7.403 -2.638 -10.392 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.076 -3.097 -12.189 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.440 -0.649 -12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.981 -0.281 -11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.673 -1.772 -13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.137 -2.070 -14.225 1.00 0.00 H new ATOM 905 N LEU A 61 -3.792 -3.907 -11.561 1.00 0.00 N ATOM 906 CA LEU A 61 -2.475 -4.426 -11.106 1.00 0.00 C ATOM 907 C LEU A 61 -1.402 -4.116 -12.154 1.00 0.00 C ATOM 908 O LEU A 61 -1.595 -4.329 -13.334 1.00 0.00 O ATOM 909 CB LEU A 61 -2.570 -5.940 -10.916 1.00 0.00 C ATOM 910 CG LEU A 61 -3.808 -6.272 -10.084 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.775 -7.746 -9.683 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.830 -5.398 -8.829 1.00 0.00 C ATOM 0 H LEU A 61 -4.257 -4.468 -12.275 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.206 -3.949 -10.164 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.626 -6.436 -11.885 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.674 -6.312 -10.419 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.704 -6.079 -10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.658 -7.982 -9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.764 -8.367 -10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.879 -7.943 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.713 -5.635 -8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.934 -5.588 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.858 -4.347 -9.118 1.00 0.00 H new ATOM 924 N SER A 62 -0.269 -3.628 -11.728 1.00 0.00 N ATOM 925 CA SER A 62 0.820 -3.318 -12.690 1.00 0.00 C ATOM 926 C SER A 62 2.085 -2.949 -11.901 1.00 0.00 C ATOM 927 O SER A 62 2.008 -2.263 -10.902 1.00 0.00 O ATOM 928 CB SER A 62 0.405 -2.139 -13.570 1.00 0.00 C ATOM 929 OG SER A 62 0.670 -2.453 -14.931 1.00 0.00 O ATOM 0 H SER A 62 -0.052 -3.431 -10.751 1.00 0.00 H new ATOM 0 HA SER A 62 1.015 -4.184 -13.322 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.655 -1.924 -13.434 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.952 -1.242 -13.278 1.00 0.00 H new ATOM 0 HG SER A 62 0.403 -1.700 -15.498 1.00 0.00 H new ATOM 935 N PRO A 63 3.242 -3.396 -12.330 1.00 0.00 N ATOM 936 CA PRO A 63 4.518 -3.090 -11.623 1.00 0.00 C ATOM 937 C PRO A 63 4.816 -1.590 -11.622 1.00 0.00 C ATOM 938 O PRO A 63 5.487 -1.077 -10.751 1.00 0.00 O ATOM 939 CB PRO A 63 5.588 -3.851 -12.412 1.00 0.00 C ATOM 940 CG PRO A 63 4.978 -4.153 -13.740 1.00 0.00 C ATOM 941 CD PRO A 63 3.467 -4.222 -13.528 1.00 0.00 C ATOM 0 HA PRO A 63 4.478 -3.386 -10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.491 -3.251 -12.524 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.876 -4.767 -11.897 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.231 -3.380 -14.466 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.356 -5.097 -14.133 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.924 -3.833 -14.390 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.131 -5.248 -13.376 1.00 0.00 H new ATOM 949 N GLU A 64 4.314 -0.888 -12.601 1.00 0.00 N ATOM 950 CA GLU A 64 4.556 0.581 -12.673 1.00 0.00 C ATOM 951 C GLU A 64 3.849 1.275 -11.508 1.00 0.00 C ATOM 952 O GLU A 64 4.281 2.301 -11.024 1.00 0.00 O ATOM 953 CB GLU A 64 4.008 1.121 -13.993 1.00 0.00 C ATOM 954 CG GLU A 64 4.793 0.524 -15.155 1.00 0.00 C ATOM 955 CD GLU A 64 4.290 1.119 -16.473 1.00 0.00 C ATOM 956 OE1 GLU A 64 3.280 1.803 -16.444 1.00 0.00 O ATOM 957 OE2 GLU A 64 4.924 0.880 -17.487 1.00 0.00 O ATOM 0 H GLU A 64 3.745 -1.270 -13.356 1.00 0.00 H new ATOM 0 HA GLU A 64 5.627 0.775 -12.614 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.951 0.872 -14.089 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.082 2.208 -14.011 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.856 0.731 -15.033 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.678 -0.560 -15.166 1.00 0.00 H new ATOM 964 N HIS A 65 2.752 0.725 -11.073 1.00 0.00 N ATOM 965 CA HIS A 65 1.983 1.344 -9.956 1.00 0.00 C ATOM 966 C HIS A 65 2.759 1.241 -8.637 1.00 0.00 C ATOM 967 O HIS A 65 2.558 2.027 -7.732 1.00 0.00 O ATOM 968 CB HIS A 65 0.646 0.613 -9.814 1.00 0.00 C ATOM 969 CG HIS A 65 -0.196 1.287 -8.768 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.705 2.567 -8.939 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.634 0.871 -7.535 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.415 2.871 -7.837 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.402 1.872 -6.953 1.00 0.00 N ATOM 0 H HIS A 65 2.350 -0.135 -11.446 1.00 0.00 H new ATOM 0 HA HIS A 65 1.820 2.398 -10.179 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.121 0.609 -10.769 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.818 -0.428 -9.540 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.566 3.168 -9.752 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.415 -0.087 -7.087 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.931 3.808 -7.687 1.00 0.00 H new ATOM 982 N PHE A 66 3.616 0.266 -8.502 1.00 0.00 N ATOM 983 CA PHE A 66 4.364 0.104 -7.219 1.00 0.00 C ATOM 984 C PHE A 66 5.797 0.644 -7.328 1.00 0.00 C ATOM 985 O PHE A 66 6.584 0.499 -6.414 1.00 0.00 O ATOM 986 CB PHE A 66 4.395 -1.380 -6.856 1.00 0.00 C ATOM 987 CG PHE A 66 2.987 -1.837 -6.565 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.194 -2.357 -7.593 1.00 0.00 C ATOM 989 CD2 PHE A 66 2.471 -1.729 -5.269 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.882 -2.768 -7.326 1.00 0.00 C ATOM 991 CE2 PHE A 66 1.161 -2.141 -5.000 1.00 0.00 C ATOM 992 CZ PHE A 66 0.367 -2.661 -6.029 1.00 0.00 C ATOM 0 H PHE A 66 3.831 -0.424 -9.221 1.00 0.00 H new ATOM 0 HA PHE A 66 3.856 0.677 -6.443 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.819 -1.961 -7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.032 -1.543 -5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.593 -2.442 -8.593 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.084 -1.327 -4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.268 -3.167 -8.120 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.763 -2.058 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.644 -2.980 -5.822 1.00 0.00 H new ATOM 1002 N ARG A 67 6.149 1.266 -8.418 1.00 0.00 N ATOM 1003 CA ARG A 67 7.537 1.805 -8.539 1.00 0.00 C ATOM 1004 C ARG A 67 7.801 2.828 -7.430 1.00 0.00 C ATOM 1005 O ARG A 67 8.904 2.944 -6.935 1.00 0.00 O ATOM 1006 CB ARG A 67 7.724 2.474 -9.903 1.00 0.00 C ATOM 1007 CG ARG A 67 7.693 1.422 -11.011 1.00 0.00 C ATOM 1008 CD ARG A 67 9.048 0.713 -11.105 1.00 0.00 C ATOM 1009 NE ARG A 67 9.085 -0.121 -12.340 1.00 0.00 N ATOM 1010 CZ ARG A 67 10.064 -0.965 -12.529 1.00 0.00 C ATOM 1011 NH1 ARG A 67 10.094 -1.697 -13.607 1.00 0.00 N ATOM 1012 NH2 ARG A 67 11.011 -1.074 -11.637 1.00 0.00 N ATOM 0 H ARG A 67 5.545 1.425 -9.224 1.00 0.00 H new ATOM 0 HA ARG A 67 8.242 0.979 -8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.937 3.210 -10.067 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.672 3.011 -9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.907 0.694 -10.810 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.454 1.894 -11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.854 1.446 -11.124 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.206 0.088 -10.226 1.00 0.00 H new ATOM 0 HE ARG A 67 8.346 -0.033 -13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.353 -1.611 -14.303 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.858 -2.356 -13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.986 -0.501 -10.794 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.776 -1.733 -11.783 1.00 0.00 H new ATOM 1026 N SER A 68 6.808 3.576 -7.035 1.00 0.00 N ATOM 1027 CA SER A 68 7.032 4.586 -5.960 1.00 0.00 C ATOM 1028 C SER A 68 5.793 4.689 -5.065 1.00 0.00 C ATOM 1029 O SER A 68 4.675 4.531 -5.511 1.00 0.00 O ATOM 1030 CB SER A 68 7.311 5.950 -6.595 1.00 0.00 C ATOM 1031 OG SER A 68 6.129 6.424 -7.226 1.00 0.00 O ATOM 0 H SER A 68 5.859 3.534 -7.406 1.00 0.00 H new ATOM 0 HA SER A 68 7.884 4.277 -5.355 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.640 6.658 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.118 5.867 -7.323 1.00 0.00 H new ATOM 0 HG SER A 68 6.125 7.404 -7.220 1.00 0.00 H new ATOM 1037 N ILE A 69 5.992 4.961 -3.802 1.00 0.00 N ATOM 1038 CA ILE A 69 4.844 5.086 -2.868 1.00 0.00 C ATOM 1039 C ILE A 69 4.004 6.312 -3.236 1.00 0.00 C ATOM 1040 O ILE A 69 2.795 6.307 -3.118 1.00 0.00 O ATOM 1041 CB ILE A 69 5.381 5.249 -1.447 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.245 4.048 -1.083 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.219 5.331 -0.474 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.901 4.281 0.278 1.00 0.00 C ATOM 0 H ILE A 69 6.909 5.102 -3.378 1.00 0.00 H new ATOM 0 HA ILE A 69 4.220 4.194 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 69 5.977 6.160 -1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.636 3.145 -1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.009 3.893 -1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.601 5.447 0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.593 6.187 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.627 4.418 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.518 3.421 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.524 5.174 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.129 4.414 1.036 1.00 0.00 H new ATOM 1056 N ARG A 70 4.640 7.370 -3.660 1.00 0.00 N ATOM 1057 CA ARG A 70 3.885 8.607 -4.013 1.00 0.00 C ATOM 1058 C ARG A 70 2.908 8.325 -5.155 1.00 0.00 C ATOM 1059 O ARG A 70 1.795 8.812 -5.160 1.00 0.00 O ATOM 1060 CB ARG A 70 4.872 9.692 -4.447 1.00 0.00 C ATOM 1061 CG ARG A 70 5.772 10.067 -3.269 1.00 0.00 C ATOM 1062 CD ARG A 70 6.679 11.232 -3.668 1.00 0.00 C ATOM 1063 NE ARG A 70 7.472 10.854 -4.872 1.00 0.00 N ATOM 1064 CZ ARG A 70 8.241 11.735 -5.450 1.00 0.00 C ATOM 1065 NH1 ARG A 70 8.937 11.402 -6.502 1.00 0.00 N ATOM 1066 NH2 ARG A 70 8.316 12.947 -4.975 1.00 0.00 N ATOM 0 H ARG A 70 5.651 7.432 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 70 3.322 8.941 -3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.477 9.335 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.331 10.571 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.164 10.344 -2.408 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.375 9.209 -2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.080 12.118 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.347 11.486 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 70 7.413 9.906 -5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.880 10.453 -6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.538 12.090 -6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.773 13.206 -4.151 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.917 13.636 -5.427 1.00 0.00 H new ATOM 1080 N SER A 71 3.306 7.549 -6.126 1.00 0.00 N ATOM 1081 CA SER A 71 2.385 7.255 -7.256 1.00 0.00 C ATOM 1082 C SER A 71 1.132 6.558 -6.723 1.00 0.00 C ATOM 1083 O SER A 71 0.022 6.876 -7.102 1.00 0.00 O ATOM 1084 CB SER A 71 3.094 6.341 -8.254 1.00 0.00 C ATOM 1085 OG SER A 71 4.328 6.933 -8.636 1.00 0.00 O ATOM 0 H SER A 71 4.224 7.109 -6.184 1.00 0.00 H new ATOM 0 HA SER A 71 2.098 8.184 -7.750 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.269 5.362 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.466 6.184 -9.131 1.00 0.00 H new ATOM 0 HG SER A 71 5.060 6.518 -8.133 1.00 0.00 H new ATOM 1091 N ILE A 72 1.303 5.612 -5.843 1.00 0.00 N ATOM 1092 CA ILE A 72 0.134 4.891 -5.278 1.00 0.00 C ATOM 1093 C ILE A 72 -0.680 5.834 -4.389 1.00 0.00 C ATOM 1094 O ILE A 72 -1.894 5.786 -4.362 1.00 0.00 O ATOM 1095 CB ILE A 72 0.638 3.718 -4.443 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.475 2.788 -5.323 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.554 2.951 -3.881 1.00 0.00 C ATOM 1098 CD1 ILE A 72 2.101 1.693 -4.460 1.00 0.00 C ATOM 0 H ILE A 72 2.210 5.307 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.500 4.531 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 72 1.252 4.090 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.850 2.343 -6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.255 3.355 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.198 2.112 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.151 3.614 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.166 2.578 -4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.697 1.031 -5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.740 2.147 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.313 1.119 -3.973 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.017 6.676 -3.647 1.00 0.00 N ATOM 1111 CA ASP A 73 -0.740 7.607 -2.739 1.00 0.00 C ATOM 1112 C ASP A 73 -1.711 8.484 -3.535 1.00 0.00 C ATOM 1113 O ASP A 73 -2.825 8.728 -3.115 1.00 0.00 O ATOM 1114 CB ASP A 73 0.283 8.501 -2.038 1.00 0.00 C ATOM 1115 CG ASP A 73 1.191 7.642 -1.155 1.00 0.00 C ATOM 1116 OD1 ASP A 73 2.192 8.161 -0.688 1.00 0.00 O ATOM 1117 OD2 ASP A 73 0.873 6.480 -0.966 1.00 0.00 O ATOM 0 H ASP A 73 0.999 6.759 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.307 7.029 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.878 9.038 -2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.227 9.251 -1.433 1.00 0.00 H new ATOM 1122 N ALA A 74 -1.299 8.969 -4.672 1.00 0.00 N ATOM 1123 CA ALA A 74 -2.201 9.840 -5.478 1.00 0.00 C ATOM 1124 C ALA A 74 -3.398 9.037 -5.991 1.00 0.00 C ATOM 1125 O ALA A 74 -4.513 9.519 -6.017 1.00 0.00 O ATOM 1126 CB ALA A 74 -1.428 10.416 -6.667 1.00 0.00 C ATOM 0 H ALA A 74 -0.379 8.801 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.564 10.651 -4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.088 11.053 -7.256 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.586 11.005 -6.303 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.059 9.601 -7.290 1.00 0.00 H new ATOM 1132 N PHE A 75 -3.178 7.824 -6.409 1.00 0.00 N ATOM 1133 CA PHE A 75 -4.309 7.006 -6.929 1.00 0.00 C ATOM 1134 C PHE A 75 -5.353 6.803 -5.828 1.00 0.00 C ATOM 1135 O PHE A 75 -6.527 7.050 -6.022 1.00 0.00 O ATOM 1136 CB PHE A 75 -3.786 5.647 -7.386 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.905 4.872 -8.039 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.184 5.059 -9.398 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.659 3.963 -7.288 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.221 4.340 -10.005 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.696 3.244 -7.895 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.977 3.433 -9.254 1.00 0.00 C ATOM 0 H PHE A 75 -2.268 7.364 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.769 7.525 -7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.963 5.779 -8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.393 5.091 -6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.600 5.758 -9.978 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.441 3.816 -6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.437 4.486 -11.053 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.279 2.544 -7.315 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.777 2.879 -9.722 1.00 0.00 H new ATOM 1152 N VAL A 76 -4.937 6.356 -4.676 1.00 0.00 N ATOM 1153 CA VAL A 76 -5.903 6.139 -3.573 1.00 0.00 C ATOM 1154 C VAL A 76 -6.455 7.485 -3.096 1.00 0.00 C ATOM 1155 O VAL A 76 -7.637 7.634 -2.872 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.193 5.434 -2.420 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.122 5.379 -1.213 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.826 4.010 -2.843 1.00 0.00 C ATOM 0 H VAL A 76 -3.967 6.132 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.730 5.523 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.287 5.982 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.617 4.876 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.388 6.392 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.026 4.829 -1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.319 3.505 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.732 3.462 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.165 4.047 -3.709 1.00 0.00 H new ATOM 1168 N VAL A 77 -5.611 8.468 -2.941 1.00 0.00 N ATOM 1169 CA VAL A 77 -6.092 9.795 -2.481 1.00 0.00 C ATOM 1170 C VAL A 77 -7.057 10.377 -3.513 1.00 0.00 C ATOM 1171 O VAL A 77 -8.057 10.979 -3.176 1.00 0.00 O ATOM 1172 CB VAL A 77 -4.897 10.729 -2.317 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -5.395 12.154 -2.106 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.071 10.294 -1.105 1.00 0.00 C ATOM 0 H VAL A 77 -4.608 8.406 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.609 9.687 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.277 10.687 -3.212 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.543 12.824 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.985 12.465 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.014 12.194 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.217 10.961 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.690 10.336 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.716 9.274 -1.253 1.00 0.00 H new ATOM 1184 N GLY A 78 -6.759 10.208 -4.770 1.00 0.00 N ATOM 1185 CA GLY A 78 -7.648 10.756 -5.830 1.00 0.00 C ATOM 1186 C GLY A 78 -9.061 10.187 -5.681 1.00 0.00 C ATOM 1187 O GLY A 78 -10.035 10.851 -5.974 1.00 0.00 O ATOM 0 H GLY A 78 -5.935 9.712 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.677 11.844 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.250 10.507 -6.814 1.00 0.00 H new ATOM 1191 N ALA A 79 -9.185 8.960 -5.244 1.00 0.00 N ATOM 1192 CA ALA A 79 -10.545 8.362 -5.100 1.00 0.00 C ATOM 1193 C ALA A 79 -10.962 8.323 -3.628 1.00 0.00 C ATOM 1194 O ALA A 79 -12.053 8.725 -3.276 1.00 0.00 O ATOM 1195 CB ALA A 79 -10.530 6.939 -5.660 1.00 0.00 C ATOM 0 H ALA A 79 -8.410 8.351 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.260 8.974 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.521 6.497 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.252 6.966 -6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.806 6.339 -5.109 1.00 0.00 H new ATOM 1201 N THR A 80 -10.114 7.837 -2.768 1.00 0.00 N ATOM 1202 CA THR A 80 -10.481 7.772 -1.324 1.00 0.00 C ATOM 1203 C THR A 80 -9.219 7.717 -0.461 1.00 0.00 C ATOM 1204 O THR A 80 -8.277 7.015 -0.767 1.00 0.00 O ATOM 1205 CB THR A 80 -11.322 6.523 -1.071 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.454 6.533 -1.931 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.783 6.501 0.386 1.00 0.00 C ATOM 0 H THR A 80 -9.186 7.483 -2.999 1.00 0.00 H new ATOM 0 HA THR A 80 -11.053 8.662 -1.062 1.00 0.00 H new ATOM 0 HB THR A 80 -10.723 5.635 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.623 7.448 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.383 5.609 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.913 6.491 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.382 7.388 0.592 1.00 0.00 H new ATOM 1215 N THR A 81 -9.201 8.442 0.625 1.00 0.00 N ATOM 1216 CA THR A 81 -8.010 8.428 1.521 1.00 0.00 C ATOM 1217 C THR A 81 -8.441 7.954 2.915 1.00 0.00 C ATOM 1218 O THR A 81 -8.817 8.747 3.754 1.00 0.00 O ATOM 1219 CB THR A 81 -7.436 9.844 1.615 1.00 0.00 C ATOM 1220 OG1 THR A 81 -6.286 9.832 2.449 1.00 0.00 O ATOM 1221 CG2 THR A 81 -8.489 10.784 2.206 1.00 0.00 C ATOM 0 H THR A 81 -9.964 9.046 0.931 1.00 0.00 H new ATOM 0 HA THR A 81 -7.251 7.754 1.124 1.00 0.00 H new ATOM 0 HB THR A 81 -7.159 10.192 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.599 10.417 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.080 11.792 2.273 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.371 10.792 1.565 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.767 10.439 3.202 1.00 0.00 H new ATOM 1229 N PRO A 82 -8.397 6.666 3.153 1.00 0.00 N ATOM 1230 CA PRO A 82 -8.797 6.064 4.452 1.00 0.00 C ATOM 1231 C PRO A 82 -7.617 5.887 5.425 1.00 0.00 C ATOM 1232 O PRO A 82 -6.784 5.025 5.232 1.00 0.00 O ATOM 1233 CB PRO A 82 -9.313 4.696 4.020 1.00 0.00 C ATOM 1234 CG PRO A 82 -8.474 4.320 2.836 1.00 0.00 C ATOM 1235 CD PRO A 82 -7.968 5.626 2.206 1.00 0.00 C ATOM 0 HA PRO A 82 -9.512 6.687 4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.213 3.965 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.370 4.738 3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.638 3.691 3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -9.059 3.747 2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.885 5.618 2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.397 5.785 1.217 1.00 0.00 H new ATOM 1243 N PRO A 83 -7.547 6.680 6.470 1.00 0.00 N ATOM 1244 CA PRO A 83 -6.452 6.569 7.473 1.00 0.00 C ATOM 1245 C PRO A 83 -6.689 5.411 8.448 1.00 0.00 C ATOM 1246 O PRO A 83 -7.765 5.262 8.992 1.00 0.00 O ATOM 1247 CB PRO A 83 -6.491 7.910 8.204 1.00 0.00 C ATOM 1248 CG PRO A 83 -7.897 8.399 8.074 1.00 0.00 C ATOM 1249 CD PRO A 83 -8.491 7.757 6.816 1.00 0.00 C ATOM 0 HA PRO A 83 -5.488 6.362 7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.212 7.794 9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.788 8.617 7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.480 8.129 8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.920 9.486 7.997 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.490 7.364 7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.581 8.481 6.006 1.00 0.00 H new ATOM 1257 N VAL A 84 -5.694 4.590 8.670 1.00 0.00 N ATOM 1258 CA VAL A 84 -5.868 3.443 9.609 1.00 0.00 C ATOM 1259 C VAL A 84 -4.760 3.471 10.665 1.00 0.00 C ATOM 1260 O VAL A 84 -3.600 3.660 10.358 1.00 0.00 O ATOM 1261 CB VAL A 84 -5.794 2.132 8.826 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -6.145 0.966 9.752 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -6.790 2.176 7.665 1.00 0.00 C ATOM 0 H VAL A 84 -4.771 4.665 8.242 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.837 3.520 10.101 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.785 1.997 8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.093 0.031 9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.438 0.935 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.154 1.101 10.140 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.738 1.242 7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.799 2.310 8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.543 3.008 7.005 1.00 0.00 H new ATOM 1273 N GLU A 85 -5.111 3.287 11.909 1.00 0.00 N ATOM 1274 CA GLU A 85 -4.080 3.304 12.987 1.00 0.00 C ATOM 1275 C GLU A 85 -3.108 2.135 12.797 1.00 0.00 C ATOM 1276 O GLU A 85 -1.931 2.245 13.079 1.00 0.00 O ATOM 1277 CB GLU A 85 -4.767 3.174 14.348 1.00 0.00 C ATOM 1278 CG GLU A 85 -5.641 4.405 14.599 1.00 0.00 C ATOM 1279 CD GLU A 85 -6.278 4.305 15.987 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -6.169 3.252 16.592 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -6.863 5.284 16.420 1.00 0.00 O ATOM 0 H GLU A 85 -6.067 3.126 12.226 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.528 4.243 12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.376 2.271 14.375 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.020 3.078 15.136 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.040 5.311 14.528 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.416 4.476 13.836 1.00 0.00 H new ATOM 1288 N ALA A 86 -3.588 1.016 12.326 1.00 0.00 N ATOM 1289 CA ALA A 86 -2.686 -0.154 12.128 1.00 0.00 C ATOM 1290 C ALA A 86 -3.150 -0.964 10.915 1.00 0.00 C ATOM 1291 O ALA A 86 -4.296 -0.903 10.517 1.00 0.00 O ATOM 1292 CB ALA A 86 -2.721 -1.040 13.374 1.00 0.00 C ATOM 0 H ALA A 86 -4.563 0.862 12.070 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.669 0.199 11.959 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.062 -1.896 13.230 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.387 -0.466 14.238 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.739 -1.391 13.543 1.00 0.00 H new ATOM 1298 N LYS A 87 -2.269 -1.724 10.324 1.00 0.00 N ATOM 1299 CA LYS A 87 -2.662 -2.535 9.137 1.00 0.00 C ATOM 1300 C LYS A 87 -3.581 -3.674 9.586 1.00 0.00 C ATOM 1301 O LYS A 87 -3.298 -4.370 10.540 1.00 0.00 O ATOM 1302 CB LYS A 87 -1.406 -3.119 8.483 1.00 0.00 C ATOM 1303 CG LYS A 87 -1.751 -3.646 7.087 1.00 0.00 C ATOM 1304 CD LYS A 87 -0.509 -4.289 6.465 1.00 0.00 C ATOM 1305 CE LYS A 87 -0.699 -4.415 4.951 1.00 0.00 C ATOM 1306 NZ LYS A 87 -2.042 -4.992 4.663 1.00 0.00 N ATOM 0 H LYS A 87 -1.295 -1.818 10.611 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.186 -1.905 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.632 -2.355 8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.005 -3.925 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.558 -4.376 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.107 -2.831 6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.372 -3.686 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.338 -5.272 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.603 -3.437 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.079 -5.050 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.012 -5.507 3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.310 -5.646 5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.743 -4.226 4.602 1.00 0.00 H new ATOM 1320 N LEU A 88 -4.679 -3.867 8.909 1.00 0.00 N ATOM 1321 CA LEU A 88 -5.613 -4.957 9.304 1.00 0.00 C ATOM 1322 C LEU A 88 -5.320 -6.209 8.474 1.00 0.00 C ATOM 1323 O LEU A 88 -5.017 -6.129 7.300 1.00 0.00 O ATOM 1324 CB LEU A 88 -7.055 -4.508 9.058 1.00 0.00 C ATOM 1325 CG LEU A 88 -7.302 -3.174 9.764 1.00 0.00 C ATOM 1326 CD1 LEU A 88 -8.776 -2.787 9.627 1.00 0.00 C ATOM 1327 CD2 LEU A 88 -6.948 -3.308 11.248 1.00 0.00 C ATOM 0 H LEU A 88 -4.969 -3.317 8.100 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.478 -5.184 10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.237 -4.405 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.750 -5.262 9.428 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.680 -2.404 9.309 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.951 -1.836 10.131 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -9.030 -2.691 8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -9.398 -3.558 10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.124 -2.357 11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.570 -4.080 11.702 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.898 -3.583 11.348 1.00 0.00 H new ATOM 1339 N GLN A 89 -5.409 -7.364 9.074 1.00 0.00 N ATOM 1340 CA GLN A 89 -5.136 -8.619 8.319 1.00 0.00 C ATOM 1341 C GLN A 89 -5.893 -8.589 6.990 1.00 0.00 C ATOM 1342 O GLN A 89 -6.837 -7.823 6.886 1.00 0.00 O ATOM 1343 CB GLN A 89 -5.599 -9.821 9.144 1.00 0.00 C ATOM 1344 CG GLN A 89 -4.767 -9.916 10.425 1.00 0.00 C ATOM 1345 CD GLN A 89 -5.264 -11.088 11.272 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -6.361 -11.573 11.073 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -4.500 -11.568 12.214 1.00 0.00 N ATOM 1348 OXT GLN A 89 -5.517 -9.334 6.100 1.00 0.00 O ATOM 0 H GLN A 89 -5.659 -7.493 10.054 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.067 -8.702 8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.656 -9.720 9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.494 -10.736 8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.714 -10.053 10.178 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.843 -8.987 10.990 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.580 -11.161 12.381 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.823 -12.350 12.784 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 4.880 -8.962 -11.035 1.00 0.00 O HETATM 1359 O4 PN7 A 101 2.665 -7.519 -13.341 1.00 0.00 O HETATM 1360 C2 PN7 A 101 2.840 -7.990 -10.206 1.00 0.00 C HETATM 1361 C1 PN7 A 101 3.420 -8.566 -8.911 1.00 0.00 C HETATM 1362 P PN7 A 101 4.295 -10.511 -7.700 1.00 0.00 P HETATM 1363 O1P PN7 A 101 4.359 -9.380 -6.747 1.00 0.00 O HETATM 1364 O2P PN7 A 101 5.529 -11.249 -8.052 1.00 0.00 O HETATM 1365 O3P PN7 A 101 3.623 -9.974 -9.062 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 3.045 -6.473 -10.225 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 1.344 -8.302 -10.281 1.00 0.00 C HETATM 1368 C3 PN7 A 101 3.551 -8.617 -11.405 1.00 0.00 C HETATM 1369 C4 PN7 A 101 3.592 -7.619 -12.561 1.00 0.00 C HETATM 1370 N5 PN7 A 101 4.673 -6.902 -12.701 1.00 0.00 N HETATM 1371 C6 PN7 A 101 5.863 -7.484 -13.385 1.00 0.00 C HETATM 1372 C7 PN7 A 101 5.606 -7.538 -14.893 1.00 0.00 C HETATM 1373 C8 PN7 A 101 5.936 -8.936 -15.418 1.00 0.00 C HETATM 1374 O8 PN7 A 101 7.068 -9.235 -15.744 1.00 0.00 O HETATM 1375 N9 PN7 A 101 4.942 -9.764 -15.590 1.00 0.00 N HETATM 1376 C10 PN7 A 101 4.538 -10.167 -16.968 1.00 0.00 C HETATM 1377 C11 PN7 A 101 4.739 -11.673 -17.137 1.00 0.00 C HETATM 1378 S12 PN7 A 101 6.274 -12.174 -16.320 1.00 0.00 S