USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=10 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 Single : A 1 MET CE :methyl 153:sc= -0.18 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.41 (180deg=-0.444) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 3 HIS : no HD1:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 65 HIS : no HE2:sc= -0.063 K(o=-0.063,f=-2.3!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 170:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00674 USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= -5.69! (180deg=-6.18!) USER MOD Single : A 89 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.488 12.322 1.343 1.00 0.00 N ATOM 2 CA MET A 1 3.548 11.236 2.361 1.00 0.00 C ATOM 3 C MET A 1 2.484 11.478 3.431 1.00 0.00 C ATOM 4 O MET A 1 2.685 11.200 4.596 1.00 0.00 O ATOM 5 CB MET A 1 4.932 11.222 3.010 1.00 0.00 C ATOM 6 CG MET A 1 5.974 10.829 1.964 1.00 0.00 C ATOM 7 SD MET A 1 7.587 10.623 2.762 1.00 0.00 S ATOM 8 CE MET A 1 7.221 9.093 3.658 1.00 0.00 C ATOM 0 H1 MET A 1 4.178 12.129 0.589 1.00 0.00 H new ATOM 0 H2 MET A 1 2.532 12.364 0.936 1.00 0.00 H new ATOM 0 H3 MET A 1 3.712 13.232 1.793 1.00 0.00 H new ATOM 0 HA MET A 1 3.363 10.276 1.879 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.164 12.205 3.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.950 10.517 3.841 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.679 9.902 1.472 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.035 11.595 1.191 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.144 8.536 3.819 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.770 9.334 4.621 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.528 8.487 3.075 1.00 0.00 H new ATOM 20 N GLN A 2 1.352 11.995 3.043 1.00 0.00 N ATOM 21 CA GLN A 2 0.273 12.255 4.037 1.00 0.00 C ATOM 22 C GLN A 2 -0.118 10.941 4.714 1.00 0.00 C ATOM 23 O GLN A 2 -0.406 10.900 5.893 1.00 0.00 O ATOM 24 CB GLN A 2 -0.948 12.839 3.323 1.00 0.00 C ATOM 25 CG GLN A 2 -0.587 14.196 2.718 1.00 0.00 C ATOM 26 CD GLN A 2 -1.800 14.765 1.980 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.733 14.047 1.677 1.00 0.00 O ATOM 28 NE2 GLN A 2 -1.828 16.034 1.677 1.00 0.00 N ATOM 0 H GLN A 2 1.127 12.249 2.081 1.00 0.00 H new ATOM 0 HA GLN A 2 0.630 12.962 4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.285 12.159 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.774 12.951 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.270 14.883 3.503 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.252 14.088 2.031 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.045 16.636 1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.633 16.423 1.186 1.00 0.00 H new ATOM 37 N HIS A 3 -0.129 9.866 3.976 1.00 0.00 N ATOM 38 CA HIS A 3 -0.501 8.552 4.572 1.00 0.00 C ATOM 39 C HIS A 3 0.448 7.474 4.047 1.00 0.00 C ATOM 40 O HIS A 3 0.186 6.293 4.159 1.00 0.00 O ATOM 41 CB HIS A 3 -1.938 8.205 4.174 1.00 0.00 C ATOM 42 CG HIS A 3 -2.626 7.510 5.316 1.00 0.00 C ATOM 43 ND1 HIS A 3 -2.917 6.153 5.289 1.00 0.00 N ATOM 44 CD2 HIS A 3 -3.091 7.970 6.524 1.00 0.00 C ATOM 45 CE1 HIS A 3 -3.531 5.847 6.447 1.00 0.00 C ATOM 46 NE2 HIS A 3 -3.660 6.918 7.232 1.00 0.00 N ATOM 0 H HIS A 3 0.104 9.841 2.983 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.427 8.606 5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.481 9.112 3.907 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.937 7.563 3.293 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.025 8.991 6.870 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.876 4.858 6.708 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.087 6.957 8.158 1.00 0.00 H new ATOM 55 N ALA A 4 1.547 7.874 3.468 1.00 0.00 N ATOM 56 CA ALA A 4 2.512 6.878 2.924 1.00 0.00 C ATOM 57 C ALA A 4 3.017 5.969 4.046 1.00 0.00 C ATOM 58 O ALA A 4 3.285 4.803 3.836 1.00 0.00 O ATOM 59 CB ALA A 4 3.698 7.613 2.297 1.00 0.00 C ATOM 0 H ALA A 4 1.818 8.850 3.348 1.00 0.00 H new ATOM 0 HA ALA A 4 2.011 6.271 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.406 6.887 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.343 8.255 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.191 8.222 3.055 1.00 0.00 H new ATOM 65 N SER A 5 3.157 6.488 5.236 1.00 0.00 N ATOM 66 CA SER A 5 3.654 5.640 6.356 1.00 0.00 C ATOM 67 C SER A 5 2.715 4.450 6.555 1.00 0.00 C ATOM 68 O SER A 5 3.148 3.333 6.761 1.00 0.00 O ATOM 69 CB SER A 5 3.709 6.469 7.640 1.00 0.00 C ATOM 70 OG SER A 5 4.493 7.633 7.414 1.00 0.00 O ATOM 0 H SER A 5 2.950 7.457 5.480 1.00 0.00 H new ATOM 0 HA SER A 5 4.653 5.275 6.117 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.702 6.749 7.949 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.138 5.879 8.450 1.00 0.00 H new ATOM 0 HG SER A 5 4.529 8.168 8.235 1.00 0.00 H new ATOM 76 N VAL A 6 1.434 4.675 6.484 1.00 0.00 N ATOM 77 CA VAL A 6 0.470 3.552 6.655 1.00 0.00 C ATOM 78 C VAL A 6 0.582 2.612 5.459 1.00 0.00 C ATOM 79 O VAL A 6 0.460 1.414 5.587 1.00 0.00 O ATOM 80 CB VAL A 6 -0.954 4.096 6.744 1.00 0.00 C ATOM 81 CG1 VAL A 6 -1.948 2.932 6.731 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.116 4.890 8.042 1.00 0.00 C ATOM 0 H VAL A 6 1.012 5.588 6.315 1.00 0.00 H new ATOM 0 HA VAL A 6 0.702 3.013 7.573 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.147 4.748 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.964 3.321 6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.833 2.366 5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.755 2.279 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.132 5.279 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.922 4.238 8.894 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.409 5.720 8.052 1.00 0.00 H new ATOM 92 N ILE A 7 0.806 3.150 4.293 1.00 0.00 N ATOM 93 CA ILE A 7 0.917 2.287 3.087 1.00 0.00 C ATOM 94 C ILE A 7 2.056 1.284 3.278 1.00 0.00 C ATOM 95 O ILE A 7 1.892 0.099 3.066 1.00 0.00 O ATOM 96 CB ILE A 7 1.207 3.157 1.865 1.00 0.00 C ATOM 97 CG1 ILE A 7 0.045 4.129 1.649 1.00 0.00 C ATOM 98 CG2 ILE A 7 1.365 2.269 0.630 1.00 0.00 C ATOM 99 CD1 ILE A 7 0.387 5.089 0.509 1.00 0.00 C ATOM 0 H ILE A 7 0.917 4.150 4.124 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.019 1.749 2.939 1.00 0.00 H new ATOM 0 HB ILE A 7 2.128 3.717 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.865 3.577 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.149 4.689 2.564 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.572 2.891 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.191 1.575 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.445 1.708 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.441 5.781 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.286 5.650 0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.560 4.521 -0.405 1.00 0.00 H new ATOM 111 N ALA A 8 3.206 1.745 3.683 1.00 0.00 N ATOM 112 CA ALA A 8 4.346 0.809 3.892 1.00 0.00 C ATOM 113 C ALA A 8 3.985 -0.165 5.010 1.00 0.00 C ATOM 114 O ALA A 8 4.160 -1.360 4.891 1.00 0.00 O ATOM 115 CB ALA A 8 5.595 1.599 4.286 1.00 0.00 C ATOM 0 H ALA A 8 3.406 2.726 3.878 1.00 0.00 H new ATOM 0 HA ALA A 8 4.547 0.260 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.427 0.912 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.846 2.303 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.403 2.147 5.209 1.00 0.00 H new ATOM 121 N GLN A 9 3.467 0.346 6.090 1.00 0.00 N ATOM 122 CA GLN A 9 3.071 -0.531 7.226 1.00 0.00 C ATOM 123 C GLN A 9 1.946 -1.463 6.773 1.00 0.00 C ATOM 124 O GLN A 9 1.890 -2.619 7.140 1.00 0.00 O ATOM 125 CB GLN A 9 2.570 0.347 8.377 1.00 0.00 C ATOM 126 CG GLN A 9 2.226 -0.525 9.584 1.00 0.00 C ATOM 127 CD GLN A 9 0.857 -0.118 10.127 1.00 0.00 C ATOM 128 OE1 GLN A 9 0.740 0.313 11.257 1.00 0.00 O ATOM 129 NE2 GLN A 9 -0.192 -0.235 9.359 1.00 0.00 N ATOM 0 H GLN A 9 3.299 1.341 6.236 1.00 0.00 H new ATOM 0 HA GLN A 9 3.924 -1.123 7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.334 1.075 8.649 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.691 0.909 8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.218 -1.577 9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.985 -0.411 10.358 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.092 -0.597 8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.112 0.036 9.707 1.00 0.00 H new ATOM 138 N PHE A 10 1.046 -0.954 5.986 1.00 0.00 N ATOM 139 CA PHE A 10 -0.094 -1.778 5.500 1.00 0.00 C ATOM 140 C PHE A 10 0.418 -2.912 4.610 1.00 0.00 C ATOM 141 O PHE A 10 -0.023 -4.040 4.705 1.00 0.00 O ATOM 142 CB PHE A 10 -1.035 -0.884 4.692 1.00 0.00 C ATOM 143 CG PHE A 10 -2.286 -1.645 4.332 1.00 0.00 C ATOM 144 CD1 PHE A 10 -3.386 -1.629 5.197 1.00 0.00 C ATOM 145 CD2 PHE A 10 -2.350 -2.355 3.128 1.00 0.00 C ATOM 146 CE1 PHE A 10 -4.551 -2.326 4.859 1.00 0.00 C ATOM 147 CE2 PHE A 10 -3.516 -3.050 2.789 1.00 0.00 C ATOM 148 CZ PHE A 10 -4.617 -3.036 3.655 1.00 0.00 C ATOM 0 H PHE A 10 1.050 0.010 5.653 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.621 -2.209 6.351 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.293 0.003 5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.535 -0.540 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.336 -1.079 6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.500 -2.367 2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.399 -2.316 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.567 -3.597 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.517 -3.573 3.393 1.00 0.00 H new ATOM 158 N VAL A 11 1.334 -2.614 3.731 1.00 0.00 N ATOM 159 CA VAL A 11 1.862 -3.667 2.816 1.00 0.00 C ATOM 160 C VAL A 11 2.608 -4.742 3.613 1.00 0.00 C ATOM 161 O VAL A 11 2.359 -5.922 3.460 1.00 0.00 O ATOM 162 CB VAL A 11 2.825 -3.019 1.819 1.00 0.00 C ATOM 163 CG1 VAL A 11 3.510 -4.103 0.987 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.050 -2.077 0.894 1.00 0.00 C ATOM 0 H VAL A 11 1.741 -1.687 3.606 1.00 0.00 H new ATOM 0 HA VAL A 11 1.030 -4.134 2.290 1.00 0.00 H new ATOM 0 HB VAL A 11 3.579 -2.451 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.195 -3.639 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.066 -4.770 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.758 -4.674 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.738 -1.616 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.293 -2.642 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.567 -1.301 1.487 1.00 0.00 H new ATOM 174 N VAL A 12 3.515 -4.351 4.464 1.00 0.00 N ATOM 175 CA VAL A 12 4.263 -5.357 5.265 1.00 0.00 C ATOM 176 C VAL A 12 3.312 -6.061 6.230 1.00 0.00 C ATOM 177 O VAL A 12 3.477 -7.218 6.541 1.00 0.00 O ATOM 178 CB VAL A 12 5.380 -4.675 6.054 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.407 -4.084 5.088 1.00 0.00 C ATOM 180 CG2 VAL A 12 4.789 -3.561 6.917 1.00 0.00 C ATOM 0 H VAL A 12 3.770 -3.379 4.639 1.00 0.00 H new ATOM 0 HA VAL A 12 4.701 -6.091 4.588 1.00 0.00 H new ATOM 0 HB VAL A 12 5.869 -5.409 6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.202 -3.599 5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.831 -4.880 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.921 -3.351 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.586 -3.075 7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.297 -2.828 6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.062 -3.984 7.610 1.00 0.00 H new ATOM 190 N GLU A 13 2.326 -5.369 6.723 1.00 0.00 N ATOM 191 CA GLU A 13 1.390 -6.006 7.690 1.00 0.00 C ATOM 192 C GLU A 13 0.822 -7.296 7.096 1.00 0.00 C ATOM 193 O GLU A 13 0.573 -8.253 7.802 1.00 0.00 O ATOM 194 CB GLU A 13 0.247 -5.044 8.004 1.00 0.00 C ATOM 195 CG GLU A 13 -0.651 -5.650 9.082 1.00 0.00 C ATOM 196 CD GLU A 13 -1.854 -4.735 9.319 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.945 -3.722 8.644 1.00 0.00 O ATOM 198 OE2 GLU A 13 -2.663 -5.062 10.171 1.00 0.00 O ATOM 0 H GLU A 13 2.127 -4.394 6.500 1.00 0.00 H new ATOM 0 HA GLU A 13 1.931 -6.242 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.646 -4.088 8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.333 -4.846 7.103 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.989 -6.640 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.090 -5.778 10.008 1.00 0.00 H new ATOM 205 N GLU A 14 0.629 -7.345 5.809 1.00 0.00 N ATOM 206 CA GLU A 14 0.095 -8.592 5.195 1.00 0.00 C ATOM 207 C GLU A 14 1.137 -9.697 5.371 1.00 0.00 C ATOM 208 O GLU A 14 0.817 -10.864 5.479 1.00 0.00 O ATOM 209 CB GLU A 14 -0.166 -8.364 3.705 1.00 0.00 C ATOM 210 CG GLU A 14 -1.270 -7.318 3.534 1.00 0.00 C ATOM 211 CD GLU A 14 -1.590 -7.153 2.048 1.00 0.00 C ATOM 212 OE1 GLU A 14 -0.877 -7.725 1.242 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.545 -6.458 1.742 1.00 0.00 O ATOM 0 H GLU A 14 0.816 -6.582 5.159 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.841 -8.876 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.747 -8.029 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.460 -9.300 3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.164 -7.625 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.951 -6.365 3.956 1.00 0.00 H new ATOM 220 N PHE A 15 2.385 -9.322 5.411 1.00 0.00 N ATOM 221 CA PHE A 15 3.476 -10.319 5.591 1.00 0.00 C ATOM 222 C PHE A 15 4.747 -9.571 6.002 1.00 0.00 C ATOM 223 O PHE A 15 5.697 -9.474 5.252 1.00 0.00 O ATOM 224 CB PHE A 15 3.706 -11.068 4.275 1.00 0.00 C ATOM 225 CG PHE A 15 3.140 -10.262 3.132 1.00 0.00 C ATOM 226 CD1 PHE A 15 3.596 -8.959 2.899 1.00 0.00 C ATOM 227 CD2 PHE A 15 2.158 -10.818 2.304 1.00 0.00 C ATOM 228 CE1 PHE A 15 3.069 -8.213 1.839 1.00 0.00 C ATOM 229 CE2 PHE A 15 1.631 -10.072 1.244 1.00 0.00 C ATOM 230 CZ PHE A 15 2.087 -8.769 1.011 1.00 0.00 C ATOM 0 H PHE A 15 2.699 -8.355 5.326 1.00 0.00 H new ATOM 0 HA PHE A 15 3.208 -11.043 6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.772 -11.237 4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.230 -12.048 4.314 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.354 -8.530 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.807 -11.823 2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.420 -7.208 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.873 -10.501 0.606 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.681 -8.193 0.193 1.00 0.00 H new ATOM 240 N LEU A 16 4.759 -9.015 7.186 1.00 0.00 N ATOM 241 CA LEU A 16 5.948 -8.250 7.637 1.00 0.00 C ATOM 242 C LEU A 16 7.029 -9.211 8.139 1.00 0.00 C ATOM 243 O LEU A 16 6.750 -10.132 8.880 1.00 0.00 O ATOM 244 CB LEU A 16 5.555 -7.258 8.743 1.00 0.00 C ATOM 245 CG LEU A 16 5.375 -7.969 10.087 1.00 0.00 C ATOM 246 CD1 LEU A 16 5.009 -6.936 11.155 1.00 0.00 C ATOM 247 CD2 LEU A 16 4.247 -9.001 9.983 1.00 0.00 C ATOM 0 H LEU A 16 3.993 -9.061 7.858 1.00 0.00 H new ATOM 0 HA LEU A 16 6.346 -7.686 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.322 -6.490 8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.629 -6.752 8.469 1.00 0.00 H new ATOM 0 HG LEU A 16 6.303 -8.473 10.355 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.879 -7.436 12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.807 -6.197 11.235 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.080 -6.438 10.877 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.124 -9.503 10.942 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.318 -8.498 9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.496 -9.736 9.218 1.00 0.00 H new ATOM 259 N PRO A 17 8.258 -9.013 7.741 1.00 0.00 N ATOM 260 CA PRO A 17 9.366 -9.895 8.173 1.00 0.00 C ATOM 261 C PRO A 17 9.645 -9.725 9.667 1.00 0.00 C ATOM 262 O PRO A 17 8.794 -9.301 10.422 1.00 0.00 O ATOM 263 CB PRO A 17 10.564 -9.437 7.333 1.00 0.00 C ATOM 264 CG PRO A 17 10.247 -8.042 6.910 1.00 0.00 C ATOM 265 CD PRO A 17 8.728 -7.931 6.861 1.00 0.00 C ATOM 0 HA PRO A 17 9.140 -10.951 8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.486 -9.471 7.914 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.708 -10.086 6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.665 -7.321 7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.682 -7.826 5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.388 -6.956 7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.352 -8.053 5.845 1.00 0.00 H new ATOM 273 N ASP A 18 10.827 -10.036 10.095 1.00 0.00 N ATOM 274 CA ASP A 18 11.166 -9.878 11.532 1.00 0.00 C ATOM 275 C ASP A 18 11.579 -8.428 11.776 1.00 0.00 C ATOM 276 O ASP A 18 12.218 -8.106 12.758 1.00 0.00 O ATOM 277 CB ASP A 18 12.322 -10.809 11.883 1.00 0.00 C ATOM 278 CG ASP A 18 11.855 -12.263 11.789 1.00 0.00 C ATOM 279 OD1 ASP A 18 10.658 -12.476 11.695 1.00 0.00 O ATOM 280 OD2 ASP A 18 12.704 -13.140 11.813 1.00 0.00 O ATOM 0 H ASP A 18 11.581 -10.396 9.509 1.00 0.00 H new ATOM 0 HA ASP A 18 10.306 -10.128 12.153 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.158 -10.640 11.204 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.681 -10.596 12.890 1.00 0.00 H new ATOM 285 N VAL A 19 11.234 -7.556 10.867 1.00 0.00 N ATOM 286 CA VAL A 19 11.620 -6.124 11.011 1.00 0.00 C ATOM 287 C VAL A 19 10.381 -5.255 11.229 1.00 0.00 C ATOM 288 O VAL A 19 9.379 -5.405 10.559 1.00 0.00 O ATOM 289 CB VAL A 19 12.306 -5.674 9.725 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.831 -4.247 9.898 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.472 -6.613 9.410 1.00 0.00 C ATOM 0 H VAL A 19 10.699 -7.776 10.027 1.00 0.00 H new ATOM 0 HA VAL A 19 12.286 -6.019 11.868 1.00 0.00 H new ATOM 0 HB VAL A 19 11.589 -5.700 8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.321 -3.926 8.979 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.000 -3.578 10.119 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.547 -4.220 10.720 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.961 -6.290 8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.189 -6.590 10.230 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.097 -7.629 9.284 1.00 0.00 H new ATOM 301 N ALA A 20 10.452 -4.328 12.145 1.00 0.00 N ATOM 302 CA ALA A 20 9.289 -3.431 12.381 1.00 0.00 C ATOM 303 C ALA A 20 9.213 -2.430 11.218 1.00 0.00 C ATOM 304 O ALA A 20 10.228 -1.932 10.776 1.00 0.00 O ATOM 305 CB ALA A 20 9.492 -2.671 13.694 1.00 0.00 C ATOM 0 H ALA A 20 11.264 -4.154 12.738 1.00 0.00 H new ATOM 0 HA ALA A 20 8.368 -4.011 12.443 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.641 -2.013 13.869 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.576 -3.381 14.516 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.404 -2.077 13.633 1.00 0.00 H new ATOM 311 N PRO A 21 8.038 -2.125 10.715 1.00 0.00 N ATOM 312 CA PRO A 21 7.900 -1.158 9.589 1.00 0.00 C ATOM 313 C PRO A 21 8.694 0.124 9.847 1.00 0.00 C ATOM 314 O PRO A 21 9.236 0.727 8.943 1.00 0.00 O ATOM 315 CB PRO A 21 6.402 -0.851 9.545 1.00 0.00 C ATOM 316 CG PRO A 21 5.730 -2.026 10.175 1.00 0.00 C ATOM 317 CD PRO A 21 6.731 -2.655 11.145 1.00 0.00 C ATOM 0 HA PRO A 21 8.284 -1.565 8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.174 0.067 10.087 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.061 -0.709 8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.827 -1.716 10.701 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.425 -2.747 9.416 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.511 -2.381 12.177 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.706 -3.743 11.092 1.00 0.00 H new ATOM 325 N ALA A 22 8.774 0.533 11.081 1.00 0.00 N ATOM 326 CA ALA A 22 9.540 1.765 11.416 1.00 0.00 C ATOM 327 C ALA A 22 11.033 1.497 11.220 1.00 0.00 C ATOM 328 O ALA A 22 11.833 2.406 11.123 1.00 0.00 O ATOM 329 CB ALA A 22 9.279 2.137 12.876 1.00 0.00 C ATOM 0 H ALA A 22 8.340 0.065 11.876 1.00 0.00 H new ATOM 0 HA ALA A 22 9.226 2.583 10.768 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.838 3.039 13.127 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.214 2.318 13.021 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.599 1.320 13.522 1.00 0.00 H new ATOM 335 N ASP A 23 11.410 0.250 11.164 1.00 0.00 N ATOM 336 CA ASP A 23 12.847 -0.095 10.979 1.00 0.00 C ATOM 337 C ASP A 23 13.097 -0.438 9.513 1.00 0.00 C ATOM 338 O ASP A 23 14.187 -0.809 9.127 1.00 0.00 O ATOM 339 CB ASP A 23 13.201 -1.299 11.854 1.00 0.00 C ATOM 340 CG ASP A 23 13.100 -0.906 13.329 1.00 0.00 C ATOM 341 OD1 ASP A 23 13.015 0.280 13.600 1.00 0.00 O ATOM 342 OD2 ASP A 23 13.109 -1.798 14.161 1.00 0.00 O ATOM 0 H ASP A 23 10.781 -0.549 11.239 1.00 0.00 H new ATOM 0 HA ASP A 23 13.467 0.754 11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.526 -2.128 11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.210 -1.643 11.627 1.00 0.00 H new ATOM 347 N VAL A 24 12.094 -0.308 8.691 1.00 0.00 N ATOM 348 CA VAL A 24 12.268 -0.617 7.247 1.00 0.00 C ATOM 349 C VAL A 24 12.367 0.696 6.477 1.00 0.00 C ATOM 350 O VAL A 24 11.601 1.613 6.697 1.00 0.00 O ATOM 351 CB VAL A 24 11.066 -1.417 6.741 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.285 -1.797 5.276 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.912 -2.689 7.577 1.00 0.00 C ATOM 0 H VAL A 24 11.159 -0.000 8.959 1.00 0.00 H new ATOM 0 HA VAL A 24 13.173 -1.207 7.100 1.00 0.00 H new ATOM 0 HB VAL A 24 10.165 -0.811 6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.428 -2.367 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.396 -0.892 4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.187 -2.403 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.056 -3.259 7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.814 -3.294 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.756 -2.421 8.622 1.00 0.00 H new ATOM 363 N ASP A 25 13.304 0.801 5.581 1.00 0.00 N ATOM 364 CA ASP A 25 13.442 2.064 4.812 1.00 0.00 C ATOM 365 C ASP A 25 12.248 2.214 3.872 1.00 0.00 C ATOM 366 O ASP A 25 12.230 1.674 2.784 1.00 0.00 O ATOM 367 CB ASP A 25 14.735 2.025 3.994 1.00 0.00 C ATOM 368 CG ASP A 25 15.938 2.032 4.938 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.744 2.312 6.110 1.00 0.00 O ATOM 370 OD2 ASP A 25 17.032 1.757 4.474 1.00 0.00 O ATOM 0 H ASP A 25 13.977 0.071 5.349 1.00 0.00 H new ATOM 0 HA ASP A 25 13.475 2.909 5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.755 1.132 3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.780 2.884 3.324 1.00 0.00 H new ATOM 375 N VAL A 26 11.246 2.944 4.282 1.00 0.00 N ATOM 376 CA VAL A 26 10.055 3.125 3.404 1.00 0.00 C ATOM 377 C VAL A 26 10.486 3.774 2.085 1.00 0.00 C ATOM 378 O VAL A 26 9.672 4.070 1.233 1.00 0.00 O ATOM 379 CB VAL A 26 9.035 4.024 4.105 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.650 3.408 5.450 1.00 0.00 C ATOM 381 CG2 VAL A 26 9.650 5.407 4.335 1.00 0.00 C ATOM 0 H VAL A 26 11.201 3.421 5.183 1.00 0.00 H new ATOM 0 HA VAL A 26 9.604 2.154 3.201 1.00 0.00 H new ATOM 0 HB VAL A 26 8.146 4.119 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.923 4.049 5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.213 2.423 5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.539 3.313 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.925 6.049 4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.539 5.311 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.925 5.847 3.376 1.00 0.00 H new ATOM 391 N ASP A 27 11.763 3.979 1.903 1.00 0.00 N ATOM 392 CA ASP A 27 12.250 4.586 0.634 1.00 0.00 C ATOM 393 C ASP A 27 12.708 3.462 -0.296 1.00 0.00 C ATOM 394 O ASP A 27 13.298 3.693 -1.333 1.00 0.00 O ATOM 395 CB ASP A 27 13.426 5.521 0.928 1.00 0.00 C ATOM 396 CG ASP A 27 12.936 6.715 1.749 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.732 6.896 1.834 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.772 7.427 2.280 1.00 0.00 O ATOM 0 H ASP A 27 12.490 3.751 2.581 1.00 0.00 H new ATOM 0 HA ASP A 27 11.451 5.160 0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.203 4.985 1.474 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.872 5.866 -0.005 1.00 0.00 H new ATOM 403 N LEU A 28 12.439 2.242 0.081 1.00 0.00 N ATOM 404 CA LEU A 28 12.850 1.081 -0.756 1.00 0.00 C ATOM 405 C LEU A 28 11.729 0.732 -1.727 1.00 0.00 C ATOM 406 O LEU A 28 10.569 0.701 -1.366 1.00 0.00 O ATOM 407 CB LEU A 28 13.113 -0.125 0.150 1.00 0.00 C ATOM 408 CG LEU A 28 13.652 -1.298 -0.675 1.00 0.00 C ATOM 409 CD1 LEU A 28 15.180 -1.300 -0.623 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.116 -2.612 -0.098 1.00 0.00 C ATOM 0 H LEU A 28 11.948 1.999 0.941 1.00 0.00 H new ATOM 0 HA LEU A 28 13.753 1.336 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.830 0.143 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.192 -0.418 0.654 1.00 0.00 H new ATOM 0 HG LEU A 28 13.327 -1.196 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.563 -2.135 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.559 -0.364 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.509 -1.403 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.498 -3.449 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.442 -2.714 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.027 -2.609 -0.137 1.00 0.00 H new ATOM 422 N ASP A 29 12.062 0.452 -2.955 1.00 0.00 N ATOM 423 CA ASP A 29 11.004 0.088 -3.928 1.00 0.00 C ATOM 424 C ASP A 29 10.312 -1.176 -3.419 1.00 0.00 C ATOM 425 O ASP A 29 10.941 -2.190 -3.191 1.00 0.00 O ATOM 426 CB ASP A 29 11.634 -0.176 -5.297 1.00 0.00 C ATOM 427 CG ASP A 29 12.233 1.121 -5.842 1.00 0.00 C ATOM 428 OD1 ASP A 29 11.923 2.169 -5.299 1.00 0.00 O ATOM 429 OD2 ASP A 29 12.992 1.046 -6.794 1.00 0.00 O ATOM 0 H ASP A 29 13.014 0.460 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 29 10.282 0.898 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.408 -0.939 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.883 -0.560 -5.987 1.00 0.00 H new ATOM 434 N LEU A 30 9.028 -1.117 -3.213 1.00 0.00 N ATOM 435 CA LEU A 30 8.306 -2.308 -2.688 1.00 0.00 C ATOM 436 C LEU A 30 8.235 -3.405 -3.756 1.00 0.00 C ATOM 437 O LEU A 30 7.533 -4.384 -3.599 1.00 0.00 O ATOM 438 CB LEU A 30 6.889 -1.901 -2.269 1.00 0.00 C ATOM 439 CG LEU A 30 6.152 -1.300 -3.466 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.751 -1.905 -3.560 1.00 0.00 C ATOM 441 CD2 LEU A 30 6.042 0.216 -3.291 1.00 0.00 C ATOM 0 H LEU A 30 8.447 -0.297 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 30 8.846 -2.697 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.347 -2.769 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.933 -1.177 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 30 6.705 -1.521 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.226 -1.476 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.829 -2.985 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.198 -1.686 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.516 0.644 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.491 0.438 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.041 0.648 -3.226 1.00 0.00 H new ATOM 453 N VAL A 31 8.952 -3.261 -4.839 1.00 0.00 N ATOM 454 CA VAL A 31 8.902 -4.315 -5.892 1.00 0.00 C ATOM 455 C VAL A 31 9.198 -5.666 -5.251 1.00 0.00 C ATOM 456 O VAL A 31 8.558 -6.656 -5.540 1.00 0.00 O ATOM 457 CB VAL A 31 9.943 -4.031 -6.979 1.00 0.00 C ATOM 458 CG1 VAL A 31 10.103 -5.267 -7.865 1.00 0.00 C ATOM 459 CG2 VAL A 31 9.486 -2.852 -7.841 1.00 0.00 C ATOM 0 H VAL A 31 9.563 -2.469 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 31 7.912 -4.322 -6.347 1.00 0.00 H new ATOM 0 HB VAL A 31 10.895 -3.788 -6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.844 -5.066 -8.639 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.432 -6.110 -7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.147 -5.507 -8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.231 -2.655 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.532 -3.093 -8.311 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.369 -1.967 -7.215 1.00 0.00 H new ATOM 469 N ASP A 32 10.151 -5.712 -4.365 1.00 0.00 N ATOM 470 CA ASP A 32 10.463 -7.001 -3.692 1.00 0.00 C ATOM 471 C ASP A 32 9.174 -7.507 -3.052 1.00 0.00 C ATOM 472 O ASP A 32 8.885 -8.687 -3.041 1.00 0.00 O ATOM 473 CB ASP A 32 11.526 -6.780 -2.613 1.00 0.00 C ATOM 474 CG ASP A 32 12.854 -6.403 -3.272 1.00 0.00 C ATOM 475 OD1 ASP A 32 12.957 -6.552 -4.478 1.00 0.00 O ATOM 476 OD2 ASP A 32 13.745 -5.972 -2.559 1.00 0.00 O ATOM 0 H ASP A 32 10.724 -4.918 -4.079 1.00 0.00 H new ATOM 0 HA ASP A 32 10.848 -7.726 -4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.209 -5.990 -1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.648 -7.685 -2.017 1.00 0.00 H new ATOM 481 N ASN A 33 8.387 -6.603 -2.539 1.00 0.00 N ATOM 482 CA ASN A 33 7.095 -6.987 -1.917 1.00 0.00 C ATOM 483 C ASN A 33 6.030 -7.022 -3.010 1.00 0.00 C ATOM 484 O ASN A 33 4.845 -7.043 -2.742 1.00 0.00 O ATOM 485 CB ASN A 33 6.713 -5.957 -0.861 1.00 0.00 C ATOM 486 CG ASN A 33 7.829 -5.857 0.174 1.00 0.00 C ATOM 487 OD1 ASN A 33 8.310 -6.856 0.671 1.00 0.00 O ATOM 488 ND2 ASN A 33 8.271 -4.682 0.513 1.00 0.00 N ATOM 0 H ASN A 33 8.589 -5.603 -2.525 1.00 0.00 H new ATOM 0 HA ASN A 33 7.179 -7.965 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.546 -4.986 -1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.779 -6.244 -0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.023 -4.598 1.197 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.866 -3.845 0.095 1.00 0.00 H new ATOM 495 N GLY A 34 6.458 -7.016 -4.245 1.00 0.00 N ATOM 496 CA GLY A 34 5.500 -7.043 -5.384 1.00 0.00 C ATOM 497 C GLY A 34 4.392 -8.051 -5.093 1.00 0.00 C ATOM 498 O GLY A 34 3.366 -8.067 -5.742 1.00 0.00 O ATOM 0 H GLY A 34 7.442 -6.993 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.073 -6.052 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.019 -7.313 -6.304 1.00 0.00 H new ATOM 502 N VAL A 35 4.586 -8.893 -4.120 1.00 0.00 N ATOM 503 CA VAL A 35 3.535 -9.893 -3.794 1.00 0.00 C ATOM 504 C VAL A 35 2.200 -9.166 -3.623 1.00 0.00 C ATOM 505 O VAL A 35 1.157 -9.663 -4.000 1.00 0.00 O ATOM 506 CB VAL A 35 3.900 -10.605 -2.488 1.00 0.00 C ATOM 507 CG1 VAL A 35 2.709 -11.435 -2.004 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.097 -11.527 -2.727 1.00 0.00 C ATOM 0 H VAL A 35 5.423 -8.933 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 35 3.457 -10.628 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 35 4.156 -9.863 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.971 -11.941 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.855 -10.780 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.451 -12.177 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.357 -12.034 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.840 -12.267 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.948 -10.938 -3.069 1.00 0.00 H new ATOM 518 N ILE A 36 2.227 -7.995 -3.050 1.00 0.00 N ATOM 519 CA ILE A 36 0.965 -7.232 -2.841 1.00 0.00 C ATOM 520 C ILE A 36 0.425 -6.708 -4.173 1.00 0.00 C ATOM 521 O ILE A 36 -0.749 -6.429 -4.312 1.00 0.00 O ATOM 522 CB ILE A 36 1.246 -6.031 -1.941 1.00 0.00 C ATOM 523 CG1 ILE A 36 -0.042 -5.627 -1.230 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.736 -4.860 -2.795 1.00 0.00 C ATOM 525 CD1 ILE A 36 0.197 -4.358 -0.413 1.00 0.00 C ATOM 0 H ILE A 36 3.072 -7.532 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 36 0.232 -7.898 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 36 2.008 -6.293 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.834 -5.458 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.377 -6.433 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.937 -4.001 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.650 -5.147 -3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.970 -4.597 -3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.725 -4.072 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.975 -4.543 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.511 -3.552 -1.076 1.00 0.00 H new ATOM 537 N ASP A 37 1.279 -6.537 -5.136 1.00 0.00 N ATOM 538 CA ASP A 37 0.836 -5.986 -6.450 1.00 0.00 C ATOM 539 C ASP A 37 -0.282 -6.834 -7.062 1.00 0.00 C ATOM 540 O ASP A 37 -1.151 -6.315 -7.734 1.00 0.00 O ATOM 541 CB ASP A 37 2.022 -5.949 -7.415 1.00 0.00 C ATOM 542 CG ASP A 37 3.070 -4.960 -6.901 1.00 0.00 C ATOM 543 OD1 ASP A 37 2.743 -4.189 -6.013 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.181 -4.990 -7.404 1.00 0.00 O ATOM 0 H ASP A 37 2.273 -6.755 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 37 0.453 -4.979 -6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.460 -6.943 -7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.686 -5.655 -8.409 1.00 0.00 H new ATOM 549 N SER A 38 -0.258 -8.126 -6.872 1.00 0.00 N ATOM 550 CA SER A 38 -1.315 -8.983 -7.488 1.00 0.00 C ATOM 551 C SER A 38 -2.213 -9.621 -6.424 1.00 0.00 C ATOM 552 O SER A 38 -3.401 -9.371 -6.375 1.00 0.00 O ATOM 553 CB SER A 38 -0.644 -10.083 -8.311 1.00 0.00 C ATOM 554 OG SER A 38 0.779 -9.928 -8.231 1.00 0.00 O ATOM 0 H SER A 38 0.442 -8.623 -6.321 1.00 0.00 H new ATOM 0 HA SER A 38 -1.940 -8.355 -8.123 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.937 -11.064 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.970 -10.028 -9.350 1.00 0.00 H new ATOM 559 N LEU A 39 -1.670 -10.464 -5.593 1.00 0.00 N ATOM 560 CA LEU A 39 -2.514 -11.136 -4.565 1.00 0.00 C ATOM 561 C LEU A 39 -3.051 -10.125 -3.555 1.00 0.00 C ATOM 562 O LEU A 39 -4.236 -10.064 -3.293 1.00 0.00 O ATOM 563 CB LEU A 39 -1.684 -12.186 -3.837 1.00 0.00 C ATOM 564 CG LEU A 39 -2.547 -12.887 -2.792 1.00 0.00 C ATOM 565 CD1 LEU A 39 -3.758 -13.533 -3.467 1.00 0.00 C ATOM 566 CD2 LEU A 39 -1.719 -13.968 -2.109 1.00 0.00 C ATOM 0 H LEU A 39 -0.682 -10.717 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.359 -11.608 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.294 -12.914 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.825 -11.717 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.891 -12.158 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.370 -14.032 -2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.349 -12.765 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.419 -14.263 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.328 -14.474 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.381 -14.691 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.854 -13.513 -1.626 1.00 0.00 H new ATOM 578 N GLY A 40 -2.193 -9.337 -2.982 1.00 0.00 N ATOM 579 CA GLY A 40 -2.658 -8.337 -1.984 1.00 0.00 C ATOM 580 C GLY A 40 -3.453 -7.237 -2.682 1.00 0.00 C ATOM 581 O GLY A 40 -4.416 -6.721 -2.151 1.00 0.00 O ATOM 0 H GLY A 40 -1.189 -9.340 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.278 -8.823 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.803 -7.905 -1.463 1.00 0.00 H new ATOM 585 N LEU A 41 -3.053 -6.866 -3.865 1.00 0.00 N ATOM 586 CA LEU A 41 -3.787 -5.790 -4.587 1.00 0.00 C ATOM 587 C LEU A 41 -5.244 -6.209 -4.762 1.00 0.00 C ATOM 588 O LEU A 41 -6.152 -5.420 -4.596 1.00 0.00 O ATOM 589 CB LEU A 41 -3.155 -5.568 -5.963 1.00 0.00 C ATOM 590 CG LEU A 41 -3.797 -4.351 -6.633 1.00 0.00 C ATOM 591 CD1 LEU A 41 -3.082 -3.079 -6.175 1.00 0.00 C ATOM 592 CD2 LEU A 41 -3.679 -4.484 -8.152 1.00 0.00 C ATOM 0 H LEU A 41 -2.253 -7.259 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.734 -4.865 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.081 -5.415 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.293 -6.453 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.849 -4.296 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.540 -2.212 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.167 -2.984 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.029 -3.133 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.136 -3.617 -8.630 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.627 -4.540 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.190 -5.390 -8.479 1.00 0.00 H new ATOM 604 N LEU A 42 -5.476 -7.447 -5.091 1.00 0.00 N ATOM 605 CA LEU A 42 -6.879 -7.911 -5.271 1.00 0.00 C ATOM 606 C LEU A 42 -7.610 -7.808 -3.931 1.00 0.00 C ATOM 607 O LEU A 42 -8.732 -7.348 -3.857 1.00 0.00 O ATOM 608 CB LEU A 42 -6.878 -9.366 -5.746 1.00 0.00 C ATOM 609 CG LEU A 42 -8.301 -9.799 -6.092 1.00 0.00 C ATOM 610 CD1 LEU A 42 -8.623 -9.372 -7.521 1.00 0.00 C ATOM 611 CD2 LEU A 42 -8.414 -11.321 -5.977 1.00 0.00 C ATOM 0 H LEU A 42 -4.759 -8.156 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.383 -7.292 -6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.233 -9.473 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.471 -10.012 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.004 -9.331 -5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.638 -9.679 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.541 -8.288 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.921 -9.843 -8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.430 -11.630 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.714 -11.791 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.179 -11.627 -4.958 1.00 0.00 H new ATOM 623 N LYS A 43 -6.975 -8.228 -2.871 1.00 0.00 N ATOM 624 CA LYS A 43 -7.620 -8.151 -1.533 1.00 0.00 C ATOM 625 C LYS A 43 -7.812 -6.686 -1.135 1.00 0.00 C ATOM 626 O LYS A 43 -8.778 -6.328 -0.492 1.00 0.00 O ATOM 627 CB LYS A 43 -6.729 -8.845 -0.506 1.00 0.00 C ATOM 628 CG LYS A 43 -6.641 -10.338 -0.828 1.00 0.00 C ATOM 629 CD LYS A 43 -5.848 -11.050 0.269 1.00 0.00 C ATOM 630 CE LYS A 43 -5.662 -12.521 -0.107 1.00 0.00 C ATOM 631 NZ LYS A 43 -6.883 -13.287 0.270 1.00 0.00 N ATOM 0 H LYS A 43 -6.034 -8.622 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.592 -8.643 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.733 -8.402 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.133 -8.702 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.641 -10.764 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.158 -10.485 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.877 -10.572 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.373 -10.971 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.477 -12.614 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.790 -12.931 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.758 -14.287 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.040 -13.208 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.705 -12.901 -0.236 1.00 0.00 H new ATOM 645 N VAL A 44 -6.889 -5.839 -1.503 1.00 0.00 N ATOM 646 CA VAL A 44 -7.004 -4.399 -1.136 1.00 0.00 C ATOM 647 C VAL A 44 -8.270 -3.797 -1.745 1.00 0.00 C ATOM 648 O VAL A 44 -8.987 -3.057 -1.103 1.00 0.00 O ATOM 649 CB VAL A 44 -5.784 -3.645 -1.664 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.993 -2.144 -1.468 1.00 0.00 C ATOM 651 CG2 VAL A 44 -4.541 -4.094 -0.895 1.00 0.00 C ATOM 0 H VAL A 44 -6.059 -6.083 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.056 -4.313 -0.051 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.651 -3.857 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.124 -1.604 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.882 -1.826 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.122 -1.930 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.669 -3.558 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.672 -3.879 0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.395 -5.165 -1.033 1.00 0.00 H new ATOM 661 N ILE A 45 -8.549 -4.101 -2.979 1.00 0.00 N ATOM 662 CA ILE A 45 -9.765 -3.543 -3.627 1.00 0.00 C ATOM 663 C ILE A 45 -11.009 -3.985 -2.854 1.00 0.00 C ATOM 664 O ILE A 45 -11.900 -3.202 -2.589 1.00 0.00 O ATOM 665 CB ILE A 45 -9.839 -4.054 -5.068 1.00 0.00 C ATOM 666 CG1 ILE A 45 -9.178 -3.039 -6.005 1.00 0.00 C ATOM 667 CG2 ILE A 45 -11.299 -4.248 -5.476 1.00 0.00 C ATOM 668 CD1 ILE A 45 -7.789 -2.677 -5.476 1.00 0.00 C ATOM 0 H ILE A 45 -7.986 -4.714 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.718 -2.454 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.317 -5.009 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.098 -3.455 -7.009 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.794 -2.143 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.345 -4.612 -6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.769 -4.974 -4.812 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.826 -3.297 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.322 -1.955 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.881 -2.243 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.174 -3.575 -5.425 1.00 0.00 H new ATOM 680 N ALA A 46 -11.081 -5.237 -2.500 1.00 0.00 N ATOM 681 CA ALA A 46 -12.271 -5.739 -1.754 1.00 0.00 C ATOM 682 C ALA A 46 -12.328 -5.114 -0.356 1.00 0.00 C ATOM 683 O ALA A 46 -13.376 -4.712 0.109 1.00 0.00 O ATOM 684 CB ALA A 46 -12.168 -7.258 -1.622 1.00 0.00 C ATOM 0 H ALA A 46 -10.366 -5.937 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.175 -5.467 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.034 -7.635 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.139 -7.708 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.258 -7.515 -1.080 1.00 0.00 H new ATOM 690 N TRP A 47 -11.216 -5.039 0.321 1.00 0.00 N ATOM 691 CA TRP A 47 -11.216 -4.451 1.692 1.00 0.00 C ATOM 692 C TRP A 47 -11.324 -2.930 1.610 1.00 0.00 C ATOM 693 O TRP A 47 -12.044 -2.307 2.365 1.00 0.00 O ATOM 694 CB TRP A 47 -9.919 -4.832 2.405 1.00 0.00 C ATOM 695 CG TRP A 47 -9.532 -3.746 3.357 1.00 0.00 C ATOM 696 CD1 TRP A 47 -9.901 -3.680 4.657 1.00 0.00 C ATOM 697 CD2 TRP A 47 -8.707 -2.573 3.105 1.00 0.00 C ATOM 698 NE1 TRP A 47 -9.352 -2.540 5.219 1.00 0.00 N ATOM 699 CE2 TRP A 47 -8.607 -1.826 4.301 1.00 0.00 C ATOM 700 CE3 TRP A 47 -8.042 -2.091 1.965 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.872 -0.641 4.363 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -7.301 -0.901 2.023 1.00 0.00 C ATOM 703 CH2 TRP A 47 -7.216 -0.178 3.219 1.00 0.00 C ATOM 0 H TRP A 47 -10.307 -5.359 -0.014 1.00 0.00 H new ATOM 0 HA TRP A 47 -12.070 -4.838 2.248 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.050 -5.771 2.943 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.124 -4.990 1.676 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.522 -4.398 5.172 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.482 -2.262 6.192 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.102 -2.641 1.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.811 -0.086 5.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.793 -0.541 1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.644 0.737 3.258 1.00 0.00 H new ATOM 714 N LEU A 48 -10.606 -2.326 0.708 1.00 0.00 N ATOM 715 CA LEU A 48 -10.653 -0.846 0.587 1.00 0.00 C ATOM 716 C LEU A 48 -12.094 -0.392 0.348 1.00 0.00 C ATOM 717 O LEU A 48 -12.551 0.577 0.922 1.00 0.00 O ATOM 718 CB LEU A 48 -9.780 -0.423 -0.594 1.00 0.00 C ATOM 719 CG LEU A 48 -9.664 1.094 -0.641 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.487 1.524 0.225 1.00 0.00 C ATOM 721 CD2 LEU A 48 -9.429 1.537 -2.085 1.00 0.00 C ATOM 0 H LEU A 48 -9.987 -2.796 0.047 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.285 -0.388 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.790 -0.869 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.210 -0.792 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.581 1.552 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.394 2.610 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.653 1.198 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.571 1.072 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.345 2.623 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.508 1.089 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.266 1.216 -2.705 1.00 0.00 H new ATOM 733 N GLU A 49 -12.816 -1.082 -0.489 1.00 0.00 N ATOM 734 CA GLU A 49 -14.226 -0.684 -0.752 1.00 0.00 C ATOM 735 C GLU A 49 -15.041 -0.825 0.533 1.00 0.00 C ATOM 736 O GLU A 49 -15.863 0.007 0.853 1.00 0.00 O ATOM 737 CB GLU A 49 -14.814 -1.593 -1.836 1.00 0.00 C ATOM 738 CG GLU A 49 -16.338 -1.462 -1.857 1.00 0.00 C ATOM 739 CD GLU A 49 -16.964 -2.621 -1.077 1.00 0.00 C ATOM 740 OE1 GLU A 49 -16.510 -3.740 -1.250 1.00 0.00 O ATOM 741 OE2 GLU A 49 -17.886 -2.369 -0.319 1.00 0.00 O ATOM 0 H GLU A 49 -12.492 -1.902 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.259 0.352 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.404 -1.324 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.532 -2.629 -1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.637 -0.511 -1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.699 -1.465 -2.885 1.00 0.00 H new ATOM 748 N ASP A 50 -14.825 -1.878 1.266 1.00 0.00 N ATOM 749 CA ASP A 50 -15.593 -2.083 2.524 1.00 0.00 C ATOM 750 C ASP A 50 -15.233 -1.012 3.557 1.00 0.00 C ATOM 751 O ASP A 50 -16.093 -0.420 4.179 1.00 0.00 O ATOM 752 CB ASP A 50 -15.251 -3.457 3.092 1.00 0.00 C ATOM 753 CG ASP A 50 -16.172 -3.769 4.273 1.00 0.00 C ATOM 754 OD1 ASP A 50 -17.074 -2.985 4.518 1.00 0.00 O ATOM 755 OD2 ASP A 50 -15.961 -4.787 4.911 1.00 0.00 O ATOM 0 H ASP A 50 -14.147 -2.609 1.048 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.658 -2.014 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.362 -4.219 2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.210 -3.479 3.414 1.00 0.00 H new ATOM 760 N ARG A 51 -13.968 -0.781 3.763 1.00 0.00 N ATOM 761 CA ARG A 51 -13.544 0.226 4.779 1.00 0.00 C ATOM 762 C ARG A 51 -13.977 1.642 4.381 1.00 0.00 C ATOM 763 O ARG A 51 -14.405 2.416 5.214 1.00 0.00 O ATOM 764 CB ARG A 51 -12.023 0.183 4.929 1.00 0.00 C ATOM 765 CG ARG A 51 -11.599 1.112 6.069 1.00 0.00 C ATOM 766 CD ARG A 51 -10.082 1.040 6.254 1.00 0.00 C ATOM 767 NE ARG A 51 -9.687 1.871 7.427 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.622 1.567 8.120 1.00 0.00 C ATOM 769 NH1 ARG A 51 -7.895 0.535 7.789 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.283 2.299 9.146 1.00 0.00 N ATOM 0 H ARG A 51 -13.205 -1.247 3.271 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.025 -0.022 5.725 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.695 -0.836 5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.546 0.490 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.900 2.136 5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.102 0.824 6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.772 0.006 6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.578 1.396 5.356 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.250 2.680 7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.158 -0.038 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.064 0.301 8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.849 3.107 9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.452 2.063 9.688 1.00 0.00 H new ATOM 784 N PHE A 52 -13.847 2.005 3.130 1.00 0.00 N ATOM 785 CA PHE A 52 -14.226 3.385 2.718 1.00 0.00 C ATOM 786 C PHE A 52 -15.552 3.387 1.952 1.00 0.00 C ATOM 787 O PHE A 52 -16.076 4.431 1.618 1.00 0.00 O ATOM 788 CB PHE A 52 -13.125 3.945 1.820 1.00 0.00 C ATOM 789 CG PHE A 52 -11.850 4.090 2.616 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.632 5.241 3.382 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.886 3.075 2.587 1.00 0.00 C ATOM 792 CE1 PHE A 52 -10.450 5.378 4.120 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.704 3.211 3.325 1.00 0.00 C ATOM 794 CZ PHE A 52 -9.486 4.363 4.091 1.00 0.00 C ATOM 0 H PHE A 52 -13.496 1.407 2.382 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.346 3.999 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.962 3.282 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.426 4.912 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -12.376 6.024 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.054 2.187 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.282 6.266 4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.961 2.428 3.304 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.574 4.468 4.660 1.00 0.00 H new ATOM 804 N GLY A 53 -16.103 2.242 1.662 1.00 0.00 N ATOM 805 CA GLY A 53 -17.392 2.223 0.913 1.00 0.00 C ATOM 806 C GLY A 53 -17.146 2.719 -0.514 1.00 0.00 C ATOM 807 O GLY A 53 -18.001 3.328 -1.126 1.00 0.00 O ATOM 0 H GLY A 53 -15.723 1.328 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.802 1.213 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -18.126 2.857 1.411 1.00 0.00 H new ATOM 811 N ILE A 54 -15.978 2.473 -1.043 1.00 0.00 N ATOM 812 CA ILE A 54 -15.667 2.941 -2.424 1.00 0.00 C ATOM 813 C ILE A 54 -15.863 1.794 -3.417 1.00 0.00 C ATOM 814 O ILE A 54 -15.639 0.644 -3.104 1.00 0.00 O ATOM 815 CB ILE A 54 -14.216 3.416 -2.481 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.007 4.531 -1.455 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.906 3.948 -3.881 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.512 4.821 -1.315 1.00 0.00 C ATOM 0 H ILE A 54 -15.224 1.967 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.335 3.762 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.551 2.582 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.535 5.432 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.423 4.236 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.871 4.287 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.057 3.155 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.570 4.782 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.362 5.616 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.996 3.920 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.110 5.134 -2.279 1.00 0.00 H new ATOM 830 N ALA A 55 -16.278 2.101 -4.615 1.00 0.00 N ATOM 831 CA ALA A 55 -16.490 1.029 -5.627 1.00 0.00 C ATOM 832 C ALA A 55 -15.163 0.317 -5.889 1.00 0.00 C ATOM 833 O ALA A 55 -14.101 0.883 -5.724 1.00 0.00 O ATOM 834 CB ALA A 55 -17.002 1.650 -6.929 1.00 0.00 C ATOM 0 H ALA A 55 -16.479 3.048 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 55 -17.223 0.313 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -17.157 0.866 -7.670 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.945 2.163 -6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.269 2.364 -7.305 1.00 0.00 H new ATOM 840 N ALA A 56 -15.214 -0.925 -6.282 1.00 0.00 N ATOM 841 CA ALA A 56 -13.953 -1.674 -6.535 1.00 0.00 C ATOM 842 C ALA A 56 -13.106 -0.930 -7.566 1.00 0.00 C ATOM 843 O ALA A 56 -11.900 -0.849 -7.446 1.00 0.00 O ATOM 844 CB ALA A 56 -14.287 -3.071 -7.062 1.00 0.00 C ATOM 0 H ALA A 56 -16.073 -1.453 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 56 -13.393 -1.759 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.364 -3.620 -7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.885 -3.605 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.851 -2.984 -7.991 1.00 0.00 H new ATOM 850 N ASP A 57 -13.719 -0.383 -8.578 1.00 0.00 N ATOM 851 CA ASP A 57 -12.928 0.353 -9.603 1.00 0.00 C ATOM 852 C ASP A 57 -11.771 -0.532 -10.063 1.00 0.00 C ATOM 853 O ASP A 57 -10.627 -0.121 -10.073 1.00 0.00 O ATOM 854 CB ASP A 57 -12.378 1.643 -8.997 1.00 0.00 C ATOM 855 CG ASP A 57 -13.537 2.577 -8.644 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.640 2.319 -9.098 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.302 3.535 -7.925 1.00 0.00 O ATOM 0 H ASP A 57 -14.726 -0.413 -8.739 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.564 0.601 -10.453 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.794 1.418 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.706 2.131 -9.703 1.00 0.00 H new ATOM 862 N ASP A 58 -12.056 -1.752 -10.427 1.00 0.00 N ATOM 863 CA ASP A 58 -10.968 -2.670 -10.865 1.00 0.00 C ATOM 864 C ASP A 58 -10.431 -2.234 -12.229 1.00 0.00 C ATOM 865 O ASP A 58 -11.126 -2.265 -13.225 1.00 0.00 O ATOM 866 CB ASP A 58 -11.516 -4.092 -10.968 1.00 0.00 C ATOM 867 CG ASP A 58 -10.374 -5.059 -11.284 1.00 0.00 C ATOM 868 OD1 ASP A 58 -9.237 -4.619 -11.294 1.00 0.00 O ATOM 869 OD2 ASP A 58 -10.657 -6.224 -11.512 1.00 0.00 O ATOM 0 H ASP A 58 -12.994 -2.152 -10.440 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.159 -2.638 -10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.998 -4.376 -10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.277 -4.144 -11.747 1.00 0.00 H new ATOM 874 N VAL A 59 -9.189 -1.837 -12.274 1.00 0.00 N ATOM 875 CA VAL A 59 -8.579 -1.404 -13.562 1.00 0.00 C ATOM 876 C VAL A 59 -7.238 -2.119 -13.735 1.00 0.00 C ATOM 877 O VAL A 59 -6.684 -2.646 -12.790 1.00 0.00 O ATOM 878 CB VAL A 59 -8.357 0.110 -13.542 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.690 0.818 -13.296 1.00 0.00 C ATOM 880 CG2 VAL A 59 -7.378 0.467 -12.422 1.00 0.00 C ATOM 0 H VAL A 59 -8.566 -1.794 -11.467 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.242 -1.654 -14.390 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.947 0.429 -14.500 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.532 1.896 -13.282 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.389 0.564 -14.093 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.100 0.499 -12.338 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.219 1.545 -12.407 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.789 0.148 -11.464 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.427 -0.037 -12.595 1.00 0.00 H new ATOM 890 N GLU A 60 -6.709 -2.152 -14.927 1.00 0.00 N ATOM 891 CA GLU A 60 -5.407 -2.847 -15.132 1.00 0.00 C ATOM 892 C GLU A 60 -4.259 -1.907 -14.756 1.00 0.00 C ATOM 893 O GLU A 60 -4.114 -0.835 -15.310 1.00 0.00 O ATOM 894 CB GLU A 60 -5.272 -3.255 -16.601 1.00 0.00 C ATOM 895 CG GLU A 60 -4.012 -4.093 -16.783 1.00 0.00 C ATOM 896 CD GLU A 60 -3.820 -4.414 -18.266 1.00 0.00 C ATOM 897 OE1 GLU A 60 -4.633 -3.967 -19.059 1.00 0.00 O ATOM 898 OE2 GLU A 60 -2.863 -5.101 -18.585 1.00 0.00 O ATOM 0 H GLU A 60 -7.118 -1.732 -15.762 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.368 -3.736 -14.502 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.148 -3.824 -16.913 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.226 -2.368 -17.233 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.145 -3.553 -16.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.090 -5.016 -16.208 1.00 0.00 H new ATOM 905 N LEU A 61 -3.442 -2.309 -13.818 1.00 0.00 N ATOM 906 CA LEU A 61 -2.296 -1.456 -13.396 1.00 0.00 C ATOM 907 C LEU A 61 -0.983 -2.171 -13.719 1.00 0.00 C ATOM 908 O LEU A 61 -0.886 -3.379 -13.630 1.00 0.00 O ATOM 909 CB LEU A 61 -2.379 -1.193 -11.890 1.00 0.00 C ATOM 910 CG LEU A 61 -3.692 -0.483 -11.567 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.686 -1.487 -10.981 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.432 0.631 -10.550 1.00 0.00 C ATOM 0 H LEU A 61 -3.522 -3.198 -13.324 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.334 -0.507 -13.931 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.318 -2.133 -11.342 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.535 -0.582 -11.570 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.106 -0.054 -12.479 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.623 -0.979 -10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.872 -2.280 -11.705 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.273 -1.918 -10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.369 1.138 -10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.017 0.202 -9.638 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.725 1.347 -10.968 1.00 0.00 H new ATOM 924 N SER A 62 0.029 -1.438 -14.091 1.00 0.00 N ATOM 925 CA SER A 62 1.333 -2.079 -14.417 1.00 0.00 C ATOM 926 C SER A 62 2.247 -2.031 -13.190 1.00 0.00 C ATOM 927 O SER A 62 2.059 -1.227 -12.298 1.00 0.00 O ATOM 928 CB SER A 62 1.994 -1.329 -15.574 1.00 0.00 C ATOM 929 OG SER A 62 1.353 -0.072 -15.747 1.00 0.00 O ATOM 0 H SER A 62 0.009 -0.422 -14.183 1.00 0.00 H new ATOM 0 HA SER A 62 1.165 -3.117 -14.705 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.055 -1.184 -15.370 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.923 -1.915 -16.490 1.00 0.00 H new ATOM 0 HG SER A 62 1.776 0.412 -16.487 1.00 0.00 H new ATOM 935 N PRO A 63 3.232 -2.888 -13.150 1.00 0.00 N ATOM 936 CA PRO A 63 4.201 -2.953 -12.018 1.00 0.00 C ATOM 937 C PRO A 63 4.935 -1.626 -11.815 1.00 0.00 C ATOM 938 O PRO A 63 5.441 -1.340 -10.748 1.00 0.00 O ATOM 939 CB PRO A 63 5.193 -4.051 -12.425 1.00 0.00 C ATOM 940 CG PRO A 63 4.967 -4.299 -13.882 1.00 0.00 C ATOM 941 CD PRO A 63 3.529 -3.886 -14.182 1.00 0.00 C ATOM 0 HA PRO A 63 3.697 -3.160 -11.074 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.220 -3.736 -12.238 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.028 -4.959 -11.845 1.00 0.00 H new ATOM 0 HG2 PRO A 63 5.668 -3.723 -14.485 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.126 -5.350 -14.124 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.433 -3.467 -15.184 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.848 -4.735 -14.125 1.00 0.00 H new ATOM 949 N GLU A 64 5.001 -0.816 -12.836 1.00 0.00 N ATOM 950 CA GLU A 64 5.706 0.489 -12.710 1.00 0.00 C ATOM 951 C GLU A 64 5.008 1.362 -11.663 1.00 0.00 C ATOM 952 O GLU A 64 5.632 2.155 -10.987 1.00 0.00 O ATOM 953 CB GLU A 64 5.687 1.206 -14.060 1.00 0.00 C ATOM 954 CG GLU A 64 6.486 0.401 -15.078 1.00 0.00 C ATOM 955 CD GLU A 64 6.528 1.154 -16.408 1.00 0.00 C ATOM 956 OE1 GLU A 64 5.821 2.140 -16.531 1.00 0.00 O ATOM 957 OE2 GLU A 64 7.268 0.732 -17.282 1.00 0.00 O ATOM 0 H GLU A 64 4.596 -1.003 -13.753 1.00 0.00 H new ATOM 0 HA GLU A 64 6.736 0.311 -12.399 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.660 1.328 -14.404 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.110 2.205 -13.958 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.499 0.234 -14.711 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.032 -0.580 -15.218 1.00 0.00 H new ATOM 964 N HIS A 65 3.717 1.231 -11.534 1.00 0.00 N ATOM 965 CA HIS A 65 2.974 2.063 -10.543 1.00 0.00 C ATOM 966 C HIS A 65 3.308 1.627 -9.112 1.00 0.00 C ATOM 967 O HIS A 65 3.200 2.399 -8.180 1.00 0.00 O ATOM 968 CB HIS A 65 1.470 1.909 -10.778 1.00 0.00 C ATOM 969 CG HIS A 65 0.721 2.797 -9.824 1.00 0.00 C ATOM 970 ND1 HIS A 65 0.236 2.335 -8.607 1.00 0.00 N ATOM 971 CD2 HIS A 65 0.365 4.122 -9.890 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.378 3.366 -7.997 1.00 0.00 C ATOM 973 NE2 HIS A 65 -0.326 4.475 -8.737 1.00 0.00 N ATOM 0 H HIS A 65 3.142 0.583 -12.073 1.00 0.00 H new ATOM 0 HA HIS A 65 3.269 3.104 -10.671 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.223 2.172 -11.807 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.173 0.870 -10.634 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.328 1.387 -8.242 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.588 4.787 -10.711 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.853 3.303 -7.029 1.00 0.00 H new ATOM 982 N PHE A 66 3.686 0.394 -8.922 1.00 0.00 N ATOM 983 CA PHE A 66 3.993 -0.086 -7.542 1.00 0.00 C ATOM 984 C PHE A 66 5.503 -0.061 -7.285 1.00 0.00 C ATOM 985 O PHE A 66 5.978 -0.613 -6.316 1.00 0.00 O ATOM 986 CB PHE A 66 3.478 -1.518 -7.387 1.00 0.00 C ATOM 987 CG PHE A 66 2.000 -1.553 -7.695 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.065 -1.294 -6.685 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.566 -1.844 -8.993 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.304 -1.325 -6.976 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.197 -1.874 -9.284 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.738 -1.615 -8.276 1.00 0.00 C ATOM 0 H PHE A 66 3.796 -0.302 -9.659 1.00 0.00 H new ATOM 0 HA PHE A 66 3.506 0.571 -6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.017 -2.185 -8.059 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.658 -1.874 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.400 -1.071 -5.683 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.288 -2.046 -9.771 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.026 -1.125 -6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.137 -2.097 -10.286 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.794 -1.639 -8.500 1.00 0.00 H new ATOM 1002 N ARG A 67 6.266 0.559 -8.140 1.00 0.00 N ATOM 1003 CA ARG A 67 7.743 0.592 -7.925 1.00 0.00 C ATOM 1004 C ARG A 67 8.090 1.234 -6.579 1.00 0.00 C ATOM 1005 O ARG A 67 9.026 0.828 -5.920 1.00 0.00 O ATOM 1006 CB ARG A 67 8.410 1.385 -9.050 1.00 0.00 C ATOM 1007 CG ARG A 67 8.421 0.543 -10.321 1.00 0.00 C ATOM 1008 CD ARG A 67 9.671 -0.340 -10.335 1.00 0.00 C ATOM 1009 NE ARG A 67 10.826 0.444 -10.854 1.00 0.00 N ATOM 1010 CZ ARG A 67 12.045 0.071 -10.575 1.00 0.00 C ATOM 1011 NH1 ARG A 67 12.252 -0.986 -9.839 1.00 0.00 N ATOM 1012 NH2 ARG A 67 13.058 0.756 -11.031 1.00 0.00 N ATOM 0 H ARG A 67 5.935 1.043 -8.975 1.00 0.00 H new ATOM 0 HA ARG A 67 8.109 -0.435 -7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.872 2.317 -9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 67 9.428 1.652 -8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.525 -0.076 -10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.409 1.189 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.885 -0.701 -9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.503 -1.217 -10.960 1.00 0.00 H new ATOM 0 HE ARG A 67 10.664 1.272 -11.427 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.461 -1.521 -9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.205 -1.277 -9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.897 1.583 -11.606 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.011 0.464 -10.813 1.00 0.00 H new ATOM 1026 N SER A 68 7.363 2.237 -6.167 1.00 0.00 N ATOM 1027 CA SER A 68 7.685 2.898 -4.865 1.00 0.00 C ATOM 1028 C SER A 68 6.405 3.164 -4.069 1.00 0.00 C ATOM 1029 O SER A 68 5.360 3.445 -4.622 1.00 0.00 O ATOM 1030 CB SER A 68 8.398 4.223 -5.133 1.00 0.00 C ATOM 1031 OG SER A 68 8.791 4.803 -3.896 1.00 0.00 O ATOM 0 H SER A 68 6.565 2.627 -6.670 1.00 0.00 H new ATOM 0 HA SER A 68 8.330 2.238 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.271 4.058 -5.764 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.738 4.902 -5.673 1.00 0.00 H new ATOM 0 HG SER A 68 9.250 5.652 -4.064 1.00 0.00 H new ATOM 1037 N ILE A 69 6.487 3.081 -2.767 1.00 0.00 N ATOM 1038 CA ILE A 69 5.296 3.331 -1.916 1.00 0.00 C ATOM 1039 C ILE A 69 4.791 4.759 -2.136 1.00 0.00 C ATOM 1040 O ILE A 69 3.604 5.018 -2.120 1.00 0.00 O ATOM 1041 CB ILE A 69 5.693 3.157 -0.451 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.186 1.735 -0.212 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.486 3.413 0.433 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.785 1.630 1.191 1.00 0.00 C ATOM 0 H ILE A 69 7.338 2.848 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 69 4.505 2.628 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 69 6.488 3.864 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.362 1.030 -0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.934 1.468 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.768 3.289 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.126 4.429 0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.696 2.705 0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.137 0.613 1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.621 2.324 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.024 1.879 1.931 1.00 0.00 H new ATOM 1056 N ARG A 70 5.686 5.692 -2.324 1.00 0.00 N ATOM 1057 CA ARG A 70 5.259 7.106 -2.526 1.00 0.00 C ATOM 1058 C ARG A 70 4.381 7.218 -3.774 1.00 0.00 C ATOM 1059 O ARG A 70 3.422 7.962 -3.801 1.00 0.00 O ATOM 1060 CB ARG A 70 6.497 7.989 -2.700 1.00 0.00 C ATOM 1061 CG ARG A 70 7.320 7.977 -1.410 1.00 0.00 C ATOM 1062 CD ARG A 70 8.488 8.956 -1.541 1.00 0.00 C ATOM 1063 NE ARG A 70 9.303 8.600 -2.737 1.00 0.00 N ATOM 1064 CZ ARG A 70 10.377 9.283 -3.022 1.00 0.00 C ATOM 1065 NH1 ARG A 70 10.740 10.278 -2.259 1.00 0.00 N ATOM 1066 NH2 ARG A 70 11.090 8.972 -4.070 1.00 0.00 N ATOM 0 H ARG A 70 6.694 5.536 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 70 4.688 7.433 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.101 7.627 -3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.198 9.009 -2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.692 8.254 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.694 6.972 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.113 9.975 -1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.106 8.924 -0.644 1.00 0.00 H new ATOM 0 HE ARG A 70 9.021 7.822 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.184 10.522 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.580 10.812 -2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.807 8.194 -4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.930 9.506 -4.292 1.00 0.00 H new ATOM 1080 N SER A 71 4.697 6.490 -4.810 1.00 0.00 N ATOM 1081 CA SER A 71 3.873 6.569 -6.045 1.00 0.00 C ATOM 1082 C SER A 71 2.434 6.158 -5.727 1.00 0.00 C ATOM 1083 O SER A 71 1.488 6.769 -6.183 1.00 0.00 O ATOM 1084 CB SER A 71 4.454 5.624 -7.096 1.00 0.00 C ATOM 1085 OG SER A 71 5.830 5.925 -7.288 1.00 0.00 O ATOM 0 H SER A 71 5.487 5.847 -4.853 1.00 0.00 H new ATOM 0 HA SER A 71 3.880 7.590 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.338 4.589 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.912 5.729 -8.036 1.00 0.00 H new ATOM 0 HG SER A 71 6.207 5.320 -7.960 1.00 0.00 H new ATOM 1091 N ILE A 72 2.263 5.129 -4.944 1.00 0.00 N ATOM 1092 CA ILE A 72 0.895 4.677 -4.589 1.00 0.00 C ATOM 1093 C ILE A 72 0.217 5.723 -3.701 1.00 0.00 C ATOM 1094 O ILE A 72 -0.963 5.985 -3.822 1.00 0.00 O ATOM 1095 CB ILE A 72 0.994 3.353 -3.835 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.685 2.313 -4.719 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -0.406 2.869 -3.480 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.910 1.029 -3.918 1.00 0.00 C ATOM 0 H ILE A 72 3.019 4.581 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 72 0.304 4.546 -5.496 1.00 0.00 H new ATOM 0 HB ILE A 72 1.573 3.495 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.074 2.104 -5.597 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.638 2.701 -5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.339 1.924 -2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.899 3.610 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.984 2.726 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.402 0.288 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.538 1.245 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.950 0.638 -3.581 1.00 0.00 H new ATOM 1110 N ASP A 73 0.955 6.317 -2.802 1.00 0.00 N ATOM 1111 CA ASP A 73 0.353 7.338 -1.898 1.00 0.00 C ATOM 1112 C ASP A 73 -0.261 8.469 -2.723 1.00 0.00 C ATOM 1113 O ASP A 73 -1.317 8.978 -2.403 1.00 0.00 O ATOM 1114 CB ASP A 73 1.438 7.910 -0.983 1.00 0.00 C ATOM 1115 CG ASP A 73 0.786 8.750 0.116 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -0.429 8.721 0.215 1.00 0.00 O ATOM 1117 OD2 ASP A 73 1.514 9.410 0.840 1.00 0.00 O ATOM 0 H ASP A 73 1.949 6.139 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.426 6.868 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.020 7.101 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.131 8.522 -1.561 1.00 0.00 H new ATOM 1122 N ALA A 74 0.388 8.873 -3.780 1.00 0.00 N ATOM 1123 CA ALA A 74 -0.169 9.975 -4.612 1.00 0.00 C ATOM 1124 C ALA A 74 -1.488 9.525 -5.238 1.00 0.00 C ATOM 1125 O ALA A 74 -2.454 10.262 -5.273 1.00 0.00 O ATOM 1126 CB ALA A 74 0.825 10.336 -5.717 1.00 0.00 C ATOM 0 H ALA A 74 1.276 8.489 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.345 10.849 -3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.416 11.143 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.765 10.660 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.004 9.463 -6.345 1.00 0.00 H new ATOM 1132 N PHE A 75 -1.539 8.319 -5.727 1.00 0.00 N ATOM 1133 CA PHE A 75 -2.800 7.822 -6.343 1.00 0.00 C ATOM 1134 C PHE A 75 -3.895 7.762 -5.278 1.00 0.00 C ATOM 1135 O PHE A 75 -5.002 8.219 -5.483 1.00 0.00 O ATOM 1136 CB PHE A 75 -2.571 6.425 -6.917 1.00 0.00 C ATOM 1137 CG PHE A 75 -3.811 5.970 -7.648 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -4.012 6.338 -8.984 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -4.761 5.181 -6.989 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -5.162 5.916 -9.661 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -5.912 4.759 -7.666 1.00 0.00 C ATOM 1142 CZ PHE A 75 -6.112 5.126 -9.002 1.00 0.00 C ATOM 0 H PHE A 75 -0.764 7.656 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.105 8.497 -7.143 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.719 6.435 -7.596 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.332 5.726 -6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.279 6.948 -9.492 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.606 4.898 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.317 6.200 -10.692 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.645 4.151 -7.157 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.999 4.800 -9.525 1.00 0.00 H new ATOM 1152 N VAL A 76 -3.593 7.201 -4.140 1.00 0.00 N ATOM 1153 CA VAL A 76 -4.606 7.106 -3.059 1.00 0.00 C ATOM 1154 C VAL A 76 -4.952 8.505 -2.543 1.00 0.00 C ATOM 1155 O VAL A 76 -6.102 8.825 -2.325 1.00 0.00 O ATOM 1156 CB VAL A 76 -4.033 6.269 -1.918 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -4.958 6.362 -0.710 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -3.920 4.809 -2.363 1.00 0.00 C ATOM 0 H VAL A 76 -2.682 6.803 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.511 6.638 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.045 6.644 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.551 5.765 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.040 7.402 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.945 5.986 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.511 4.211 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.908 4.432 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.261 4.742 -3.229 1.00 0.00 H new ATOM 1168 N VAL A 77 -3.969 9.341 -2.342 1.00 0.00 N ATOM 1169 CA VAL A 77 -4.247 10.710 -1.836 1.00 0.00 C ATOM 1170 C VAL A 77 -5.100 11.479 -2.848 1.00 0.00 C ATOM 1171 O VAL A 77 -6.016 12.192 -2.489 1.00 0.00 O ATOM 1172 CB VAL A 77 -2.921 11.440 -1.628 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -3.193 12.917 -1.368 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -2.188 10.838 -0.427 1.00 0.00 C ATOM 0 H VAL A 77 -2.985 9.132 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.789 10.646 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.303 11.333 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.248 13.440 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.715 13.347 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.810 13.022 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.242 11.359 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.804 10.944 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.995 9.781 -0.611 1.00 0.00 H new ATOM 1184 N GLY A 78 -4.799 11.347 -4.108 1.00 0.00 N ATOM 1185 CA GLY A 78 -5.581 12.075 -5.147 1.00 0.00 C ATOM 1186 C GLY A 78 -7.058 11.675 -5.085 1.00 0.00 C ATOM 1187 O GLY A 78 -7.931 12.462 -5.391 1.00 0.00 O ATOM 0 H GLY A 78 -4.042 10.764 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.483 13.150 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.179 11.853 -6.135 1.00 0.00 H new ATOM 1191 N ALA A 79 -7.348 10.457 -4.709 1.00 0.00 N ATOM 1192 CA ALA A 79 -8.772 10.016 -4.652 1.00 0.00 C ATOM 1193 C ALA A 79 -9.258 9.967 -3.203 1.00 0.00 C ATOM 1194 O ALA A 79 -10.302 10.493 -2.873 1.00 0.00 O ATOM 1195 CB ALA A 79 -8.895 8.623 -5.273 1.00 0.00 C ATOM 0 H ALA A 79 -6.663 9.751 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.384 10.728 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.934 8.297 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.565 8.657 -6.311 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.273 7.921 -4.718 1.00 0.00 H new ATOM 1201 N THR A 80 -8.513 9.335 -2.340 1.00 0.00 N ATOM 1202 CA THR A 80 -8.930 9.242 -0.911 1.00 0.00 C ATOM 1203 C THR A 80 -7.822 9.790 -0.014 1.00 0.00 C ATOM 1204 O THR A 80 -6.655 9.521 -0.216 1.00 0.00 O ATOM 1205 CB THR A 80 -9.196 7.780 -0.554 1.00 0.00 C ATOM 1206 OG1 THR A 80 -10.145 7.237 -1.461 1.00 0.00 O ATOM 1207 CG2 THR A 80 -9.741 7.691 0.872 1.00 0.00 C ATOM 0 H THR A 80 -7.629 8.877 -2.563 1.00 0.00 H new ATOM 0 HA THR A 80 -9.838 9.827 -0.761 1.00 0.00 H new ATOM 0 HB THR A 80 -8.266 7.215 -0.620 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.197 6.266 -1.338 1.00 0.00 H new ATOM 0 HG21 THR A 80 -9.930 6.648 1.125 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.011 8.106 1.567 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.671 8.256 0.942 1.00 0.00 H new ATOM 1215 N THR A 81 -8.181 10.555 0.979 1.00 0.00 N ATOM 1216 CA THR A 81 -7.159 11.124 1.898 1.00 0.00 C ATOM 1217 C THR A 81 -7.543 10.793 3.346 1.00 0.00 C ATOM 1218 O THR A 81 -8.236 11.551 3.996 1.00 0.00 O ATOM 1219 CB THR A 81 -7.111 12.641 1.708 1.00 0.00 C ATOM 1220 OG1 THR A 81 -6.445 13.236 2.814 1.00 0.00 O ATOM 1221 CG2 THR A 81 -8.535 13.189 1.609 1.00 0.00 C ATOM 0 H THR A 81 -9.145 10.811 1.194 1.00 0.00 H new ATOM 0 HA THR A 81 -6.179 10.699 1.680 1.00 0.00 H new ATOM 0 HB THR A 81 -6.570 12.876 0.791 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.413 14.208 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.500 14.270 1.474 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.042 12.733 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.079 12.955 2.524 1.00 0.00 H new ATOM 1229 N PRO A 82 -7.107 9.662 3.846 1.00 0.00 N ATOM 1230 CA PRO A 82 -7.422 9.224 5.234 1.00 0.00 C ATOM 1231 C PRO A 82 -6.533 9.900 6.282 1.00 0.00 C ATOM 1232 O PRO A 82 -5.485 10.430 5.970 1.00 0.00 O ATOM 1233 CB PRO A 82 -7.162 7.717 5.202 1.00 0.00 C ATOM 1234 CG PRO A 82 -6.156 7.498 4.118 1.00 0.00 C ATOM 1235 CD PRO A 82 -6.264 8.678 3.145 1.00 0.00 C ATOM 0 HA PRO A 82 -8.440 9.488 5.518 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.785 7.365 6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.081 7.166 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.151 7.435 4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.347 6.557 3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -5.282 9.091 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.713 8.373 2.200 1.00 0.00 H new ATOM 1243 N PRO A 83 -6.951 9.870 7.520 1.00 0.00 N ATOM 1244 CA PRO A 83 -6.185 10.478 8.646 1.00 0.00 C ATOM 1245 C PRO A 83 -4.823 9.804 8.824 1.00 0.00 C ATOM 1246 O PRO A 83 -4.654 8.646 8.499 1.00 0.00 O ATOM 1247 CB PRO A 83 -7.066 10.243 9.879 1.00 0.00 C ATOM 1248 CG PRO A 83 -8.024 9.163 9.495 1.00 0.00 C ATOM 1249 CD PRO A 83 -8.203 9.253 7.981 1.00 0.00 C ATOM 0 HA PRO A 83 -5.976 11.534 8.472 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.465 9.945 10.738 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.595 11.153 10.161 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.639 8.184 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.978 9.292 10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -8.353 8.269 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -9.070 9.858 7.715 1.00 0.00 H new ATOM 1257 N VAL A 84 -3.849 10.521 9.319 1.00 0.00 N ATOM 1258 CA VAL A 84 -2.496 9.917 9.493 1.00 0.00 C ATOM 1259 C VAL A 84 -2.121 9.878 10.974 1.00 0.00 C ATOM 1260 O VAL A 84 -2.331 10.821 11.710 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.470 10.762 8.739 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.354 12.137 9.401 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -0.109 10.063 8.775 1.00 0.00 C ATOM 0 H VAL A 84 -3.931 11.495 9.609 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.507 8.900 9.101 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.790 10.883 7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.622 12.739 8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.323 12.636 9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.034 12.017 10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.624 10.665 8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.210 9.942 9.810 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.190 9.084 8.303 1.00 0.00 H new ATOM 1273 N GLU A 85 -1.557 8.785 11.407 1.00 0.00 N ATOM 1274 CA GLU A 85 -1.146 8.655 12.830 1.00 0.00 C ATOM 1275 C GLU A 85 0.276 8.096 12.879 1.00 0.00 C ATOM 1276 O GLU A 85 0.832 7.713 11.869 1.00 0.00 O ATOM 1277 CB GLU A 85 -2.099 7.703 13.556 1.00 0.00 C ATOM 1278 CG GLU A 85 -3.522 8.262 13.500 1.00 0.00 C ATOM 1279 CD GLU A 85 -4.461 7.351 14.293 1.00 0.00 C ATOM 1280 OE1 GLU A 85 -4.025 6.281 14.684 1.00 0.00 O ATOM 1281 OE2 GLU A 85 -5.600 7.739 14.494 1.00 0.00 O ATOM 0 H GLU A 85 -1.362 7.968 10.828 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.180 9.629 13.318 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.066 6.717 13.094 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.786 7.580 14.593 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.544 9.271 13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.856 8.333 12.465 1.00 0.00 H new ATOM 1288 N ALA A 86 0.874 8.039 14.036 1.00 0.00 N ATOM 1289 CA ALA A 86 2.259 7.498 14.117 1.00 0.00 C ATOM 1290 C ALA A 86 2.321 6.179 13.343 1.00 0.00 C ATOM 1291 O ALA A 86 1.406 5.382 13.385 1.00 0.00 O ATOM 1292 CB ALA A 86 2.628 7.252 15.582 1.00 0.00 C ATOM 0 H ALA A 86 0.468 8.341 14.922 1.00 0.00 H new ATOM 0 HA ALA A 86 2.961 8.212 13.687 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.642 6.856 15.640 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.573 8.190 16.134 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.933 6.534 16.017 1.00 0.00 H new ATOM 1298 N LYS A 87 3.389 5.946 12.630 1.00 0.00 N ATOM 1299 CA LYS A 87 3.498 4.682 11.849 1.00 0.00 C ATOM 1300 C LYS A 87 3.375 3.488 12.798 1.00 0.00 C ATOM 1301 O LYS A 87 2.804 2.470 12.460 1.00 0.00 O ATOM 1302 CB LYS A 87 4.850 4.639 11.131 1.00 0.00 C ATOM 1303 CG LYS A 87 4.865 3.476 10.135 1.00 0.00 C ATOM 1304 CD LYS A 87 6.221 3.429 9.425 1.00 0.00 C ATOM 1305 CE LYS A 87 6.156 2.442 8.257 1.00 0.00 C ATOM 1306 NZ LYS A 87 7.534 1.990 7.913 1.00 0.00 N ATOM 0 H LYS A 87 4.189 6.575 12.555 1.00 0.00 H new ATOM 0 HA LYS A 87 2.699 4.638 11.109 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.027 5.580 10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.655 4.520 11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.682 2.536 10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.064 3.598 9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.487 4.421 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.999 3.128 10.126 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.537 1.586 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.690 2.915 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.517 1.486 7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.162 2.816 7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.886 1.352 8.655 1.00 0.00 H new ATOM 1320 N LEU A 88 3.902 3.606 13.986 1.00 0.00 N ATOM 1321 CA LEU A 88 3.810 2.479 14.957 1.00 0.00 C ATOM 1322 C LEU A 88 2.602 2.694 15.872 1.00 0.00 C ATOM 1323 O LEU A 88 2.298 3.803 16.264 1.00 0.00 O ATOM 1324 CB LEU A 88 5.084 2.426 15.804 1.00 0.00 C ATOM 1325 CG LEU A 88 6.304 2.319 14.888 1.00 0.00 C ATOM 1326 CD1 LEU A 88 7.568 2.173 15.738 1.00 0.00 C ATOM 1327 CD2 LEU A 88 6.157 1.093 13.984 1.00 0.00 C ATOM 0 H LEU A 88 4.392 4.433 14.326 1.00 0.00 H new ATOM 0 HA LEU A 88 3.696 1.541 14.413 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.159 3.320 16.423 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.048 1.572 16.480 1.00 0.00 H new ATOM 0 HG LEU A 88 6.378 3.217 14.275 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.438 2.097 15.086 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.674 3.044 16.385 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.493 1.274 16.350 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.026 1.016 13.331 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.084 0.195 14.598 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.256 1.193 13.379 1.00 0.00 H new ATOM 1339 N GLN A 89 1.910 1.642 16.215 1.00 0.00 N ATOM 1340 CA GLN A 89 0.724 1.788 17.105 1.00 0.00 C ATOM 1341 C GLN A 89 0.676 0.616 18.087 1.00 0.00 C ATOM 1342 O GLN A 89 0.344 -0.477 17.659 1.00 0.00 O ATOM 1343 CB GLN A 89 -0.551 1.796 16.258 1.00 0.00 C ATOM 1344 CG GLN A 89 -0.553 3.028 15.351 1.00 0.00 C ATOM 1345 CD GLN A 89 -1.805 3.012 14.472 1.00 0.00 C ATOM 1346 OE1 GLN A 89 -2.453 1.994 14.336 1.00 0.00 O ATOM 1347 NE2 GLN A 89 -2.175 4.106 13.864 1.00 0.00 N ATOM 1348 OXT GLN A 89 0.973 0.831 19.251 1.00 0.00 O ATOM 0 H GLN A 89 2.115 0.688 15.917 1.00 0.00 H new ATOM 0 HA GLN A 89 0.798 2.724 17.659 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.607 0.889 15.657 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.429 1.805 16.904 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.530 3.936 15.953 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.342 3.036 14.728 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.631 4.961 13.978 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.008 4.105 13.275 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O3 PN7 A 101 -0.640 -6.616 -13.487 1.00 0.00 O HETATM 1359 O4 PN7 A 101 -0.653 -6.933 -9.966 1.00 0.00 O HETATM 1360 C2 PN7 A 101 1.351 -7.179 -12.261 1.00 0.00 C HETATM 1361 C1 PN7 A 101 1.887 -8.284 -11.344 1.00 0.00 C HETATM 1362 P PN7 A 101 1.374 -10.051 -9.725 1.00 0.00 P HETATM 1363 O1P PN7 A 101 0.716 -11.195 -10.397 1.00 0.00 O HETATM 1364 O2P PN7 A 101 2.850 -10.002 -9.638 1.00 0.00 O HETATM 1365 O3P PN7 A 101 0.868 -8.691 -10.426 1.00 0.00 O HETATM 1366 CE1 PN7 A 101 1.895 -7.384 -13.676 1.00 0.00 C HETATM 1367 CE2 PN7 A 101 1.802 -5.813 -11.739 1.00 0.00 C HETATM 1368 C3 PN7 A 101 -0.176 -7.229 -12.291 1.00 0.00 C HETATM 1369 C4 PN7 A 101 -0.737 -6.473 -11.087 1.00 0.00 C HETATM 1370 N5 PN7 A 101 -1.110 -5.237 -11.280 1.00 0.00 N HETATM 1371 C6 PN7 A 101 -2.544 -4.925 -11.540 1.00 0.00 C HETATM 1372 C7 PN7 A 101 -3.300 -6.216 -11.865 1.00 0.00 C HETATM 1373 C8 PN7 A 101 -3.437 -7.062 -10.598 1.00 0.00 C HETATM 1374 O8 PN7 A 101 -2.913 -6.725 -9.555 1.00 0.00 O HETATM 1375 N9 PN7 A 101 -4.165 -8.143 -10.671 1.00 0.00 N HETATM 1376 C10 PN7 A 101 -5.184 -8.427 -9.622 1.00 0.00 C HETATM 1377 C11 PN7 A 101 -5.418 -9.936 -9.534 1.00 0.00 C HETATM 1378 S12 PN7 A 101 -4.550 -10.762 -10.891 1.00 0.00 S