USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 HIS : no HD1:sc= -4.04! C(o=-4.1!,f=-7.1!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 1 MET CE :methyl 151:sc= -0.168 (180deg=-1.02) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.433 (180deg=-0.473) USER MOD Single : A 2 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.5!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.28) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0709 (180deg=-0.539) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-2.8!) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.094 12.046 2.654 1.00 0.00 N ATOM 2 CA MET A 1 0.527 10.923 3.532 1.00 0.00 C ATOM 3 C MET A 1 -0.497 10.723 4.649 1.00 0.00 C ATOM 4 O MET A 1 -0.173 10.272 5.729 1.00 0.00 O ATOM 5 CB MET A 1 1.890 11.249 4.143 1.00 0.00 C ATOM 6 CG MET A 1 2.937 11.307 3.033 1.00 0.00 C ATOM 7 SD MET A 1 4.587 11.461 3.764 1.00 0.00 S ATOM 8 CE MET A 1 4.717 9.775 4.410 1.00 0.00 C ATOM 0 H1 MET A 1 0.773 12.159 1.875 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.848 11.839 2.265 1.00 0.00 H new ATOM 0 H3 MET A 1 0.054 12.925 3.209 1.00 0.00 H new ATOM 0 HA MET A 1 0.602 10.010 2.941 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.847 12.203 4.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.163 10.492 4.878 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.882 10.408 2.420 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.739 12.154 2.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.764 9.474 4.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.306 9.739 5.419 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.159 9.095 3.766 1.00 0.00 H new ATOM 20 N GLN A 2 -1.731 11.056 4.396 1.00 0.00 N ATOM 21 CA GLN A 2 -2.775 10.885 5.444 1.00 0.00 C ATOM 22 C GLN A 2 -2.855 9.411 5.847 1.00 0.00 C ATOM 23 O GLN A 2 -3.034 9.084 7.003 1.00 0.00 O ATOM 24 CB GLN A 2 -4.130 11.333 4.893 1.00 0.00 C ATOM 25 CG GLN A 2 -4.081 12.825 4.562 1.00 0.00 C ATOM 26 CD GLN A 2 -5.431 13.267 3.993 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.240 12.446 3.610 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.709 14.540 3.921 1.00 0.00 N ATOM 0 H GLN A 2 -2.062 11.439 3.510 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.517 11.489 6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.378 10.760 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.914 11.138 5.625 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.847 13.399 5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.288 13.022 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.030 15.229 4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.606 14.846 3.543 1.00 0.00 H new ATOM 37 N HIS A 3 -2.724 8.522 4.898 1.00 0.00 N ATOM 38 CA HIS A 3 -2.793 7.066 5.215 1.00 0.00 C ATOM 39 C HIS A 3 -1.522 6.371 4.725 1.00 0.00 C ATOM 40 O HIS A 3 -1.430 5.162 4.719 1.00 0.00 O ATOM 41 CB HIS A 3 -4.010 6.453 4.522 1.00 0.00 C ATOM 42 CG HIS A 3 -5.251 7.175 4.966 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.903 8.093 4.156 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.968 7.130 6.136 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.961 8.561 4.842 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.044 8.006 6.052 1.00 0.00 N ATOM 0 H HIS A 3 -2.572 8.743 3.914 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.882 6.934 6.293 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.901 6.525 3.440 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.086 5.393 4.765 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.733 6.510 6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.656 9.294 4.461 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.749 8.187 6.766 1.00 0.00 H new ATOM 55 N ALA A 4 -0.543 7.119 4.308 1.00 0.00 N ATOM 56 CA ALA A 4 0.710 6.483 3.815 1.00 0.00 C ATOM 57 C ALA A 4 1.332 5.636 4.929 1.00 0.00 C ATOM 58 O ALA A 4 1.953 4.623 4.676 1.00 0.00 O ATOM 59 CB ALA A 4 1.700 7.569 3.390 1.00 0.00 C ATOM 0 H ALA A 4 -0.554 8.139 4.286 1.00 0.00 H new ATOM 0 HA ALA A 4 0.478 5.845 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.617 7.104 3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.261 8.171 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.928 8.207 4.243 1.00 0.00 H new ATOM 65 N SER A 5 1.183 6.047 6.159 1.00 0.00 N ATOM 66 CA SER A 5 1.780 5.268 7.281 1.00 0.00 C ATOM 67 C SER A 5 1.173 3.863 7.342 1.00 0.00 C ATOM 68 O SER A 5 1.878 2.882 7.469 1.00 0.00 O ATOM 69 CB SER A 5 1.515 5.993 8.600 1.00 0.00 C ATOM 70 OG SER A 5 2.021 7.319 8.516 1.00 0.00 O ATOM 0 H SER A 5 0.675 6.887 6.435 1.00 0.00 H new ATOM 0 HA SER A 5 2.854 5.180 7.115 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.445 6.012 8.810 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.992 5.461 9.423 1.00 0.00 H new ATOM 0 HG SER A 5 1.851 7.788 9.360 1.00 0.00 H new ATOM 76 N VAL A 6 -0.123 3.753 7.251 1.00 0.00 N ATOM 77 CA VAL A 6 -0.753 2.402 7.303 1.00 0.00 C ATOM 78 C VAL A 6 -0.371 1.618 6.048 1.00 0.00 C ATOM 79 O VAL A 6 -0.179 0.421 6.090 1.00 0.00 O ATOM 80 CB VAL A 6 -2.278 2.526 7.412 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.815 3.440 6.311 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.909 1.139 7.268 1.00 0.00 C ATOM 0 H VAL A 6 -0.771 4.534 7.144 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.392 1.871 8.184 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.531 2.952 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.898 3.519 6.400 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.369 4.430 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.561 3.024 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.993 1.223 7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.645 0.718 6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.538 0.487 8.059 1.00 0.00 H new ATOM 92 N ILE A 7 -0.259 2.281 4.932 1.00 0.00 N ATOM 93 CA ILE A 7 0.114 1.570 3.679 1.00 0.00 C ATOM 94 C ILE A 7 1.471 0.887 3.864 1.00 0.00 C ATOM 95 O ILE A 7 1.626 -0.285 3.591 1.00 0.00 O ATOM 96 CB ILE A 7 0.201 2.576 2.532 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.191 3.150 2.256 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.724 1.878 1.276 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.078 4.320 1.276 1.00 0.00 C ATOM 0 H ILE A 7 -0.410 3.285 4.833 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.641 0.819 3.448 1.00 0.00 H new ATOM 0 HB ILE A 7 0.881 3.382 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.839 2.377 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.649 3.485 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.785 2.597 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.714 1.468 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.046 1.071 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.070 4.728 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.445 5.096 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.638 3.971 0.342 1.00 0.00 H new ATOM 111 N ALA A 8 2.451 1.606 4.336 1.00 0.00 N ATOM 112 CA ALA A 8 3.791 0.986 4.547 1.00 0.00 C ATOM 113 C ALA A 8 3.665 -0.109 5.599 1.00 0.00 C ATOM 114 O ALA A 8 4.135 -1.214 5.425 1.00 0.00 O ATOM 115 CB ALA A 8 4.778 2.049 5.033 1.00 0.00 C ATOM 0 H ALA A 8 2.384 2.593 4.584 1.00 0.00 H new ATOM 0 HA ALA A 8 4.154 0.563 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.756 1.594 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.858 2.839 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.423 2.472 5.973 1.00 0.00 H new ATOM 121 N GLN A 9 3.019 0.193 6.687 1.00 0.00 N ATOM 122 CA GLN A 9 2.840 -0.821 7.760 1.00 0.00 C ATOM 123 C GLN A 9 2.024 -1.996 7.222 1.00 0.00 C ATOM 124 O GLN A 9 2.279 -3.139 7.536 1.00 0.00 O ATOM 125 CB GLN A 9 2.092 -0.178 8.931 1.00 0.00 C ATOM 126 CG GLN A 9 1.951 -1.187 10.071 1.00 0.00 C ATOM 127 CD GLN A 9 0.485 -1.269 10.496 1.00 0.00 C ATOM 128 OE1 GLN A 9 0.131 -0.857 11.583 1.00 0.00 O ATOM 129 NE2 GLN A 9 -0.389 -1.784 9.675 1.00 0.00 N ATOM 0 H GLN A 9 2.604 1.105 6.881 1.00 0.00 H new ATOM 0 HA GLN A 9 3.814 -1.180 8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.630 0.704 9.278 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.107 0.157 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.304 -2.167 9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.570 -0.887 10.916 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.090 -2.129 8.763 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.371 -1.841 9.945 1.00 0.00 H new ATOM 138 N PHE A 10 1.035 -1.716 6.426 1.00 0.00 N ATOM 139 CA PHE A 10 0.180 -2.804 5.877 1.00 0.00 C ATOM 140 C PHE A 10 0.993 -3.713 4.950 1.00 0.00 C ATOM 141 O PHE A 10 0.981 -4.920 5.084 1.00 0.00 O ATOM 142 CB PHE A 10 -0.972 -2.175 5.091 1.00 0.00 C ATOM 143 CG PHE A 10 -1.942 -3.248 4.663 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.947 -3.670 5.540 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.836 -3.819 3.390 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.849 -4.664 5.143 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.738 -4.814 2.993 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.744 -5.236 3.870 1.00 0.00 C ATOM 0 H PHE A 10 0.779 -0.774 6.129 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.206 -3.406 6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.483 -1.434 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.585 -1.651 4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.027 -3.229 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.059 -3.493 2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.626 -4.990 5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.657 -5.256 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.440 -6.003 3.564 1.00 0.00 H new ATOM 158 N VAL A 11 1.683 -3.146 4.002 1.00 0.00 N ATOM 159 CA VAL A 11 2.478 -3.979 3.057 1.00 0.00 C ATOM 160 C VAL A 11 3.737 -4.525 3.740 1.00 0.00 C ATOM 161 O VAL A 11 4.076 -5.682 3.596 1.00 0.00 O ATOM 162 CB VAL A 11 2.881 -3.123 1.857 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.630 -2.514 1.220 1.00 0.00 C ATOM 164 CG2 VAL A 11 3.815 -2.002 2.318 1.00 0.00 C ATOM 0 H VAL A 11 1.731 -2.140 3.840 1.00 0.00 H new ATOM 0 HA VAL A 11 1.869 -4.822 2.731 1.00 0.00 H new ATOM 0 HB VAL A 11 3.395 -3.746 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.918 -1.904 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.965 -3.312 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.115 -1.892 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.102 -1.392 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.302 -1.380 3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.707 -2.435 2.770 1.00 0.00 H new ATOM 174 N VAL A 12 4.437 -3.703 4.473 1.00 0.00 N ATOM 175 CA VAL A 12 5.682 -4.174 5.151 1.00 0.00 C ATOM 176 C VAL A 12 5.357 -5.299 6.133 1.00 0.00 C ATOM 177 O VAL A 12 6.128 -6.221 6.309 1.00 0.00 O ATOM 178 CB VAL A 12 6.321 -3.014 5.906 1.00 0.00 C ATOM 179 CG1 VAL A 12 7.486 -3.533 6.752 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.839 -1.977 4.907 1.00 0.00 C ATOM 0 H VAL A 12 4.201 -2.724 4.633 1.00 0.00 H new ATOM 0 HA VAL A 12 6.374 -4.549 4.397 1.00 0.00 H new ATOM 0 HB VAL A 12 5.578 -2.553 6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.942 -2.703 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.118 -4.270 7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.229 -3.996 6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.296 -1.148 5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.581 -2.438 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.009 -1.605 4.306 1.00 0.00 H new ATOM 190 N GLU A 13 4.229 -5.232 6.778 1.00 0.00 N ATOM 191 CA GLU A 13 3.872 -6.301 7.751 1.00 0.00 C ATOM 192 C GLU A 13 3.876 -7.650 7.037 1.00 0.00 C ATOM 193 O GLU A 13 4.274 -8.656 7.587 1.00 0.00 O ATOM 194 CB GLU A 13 2.479 -6.031 8.322 1.00 0.00 C ATOM 195 CG GLU A 13 2.152 -7.061 9.401 1.00 0.00 C ATOM 196 CD GLU A 13 0.704 -6.879 9.859 1.00 0.00 C ATOM 197 OE1 GLU A 13 0.040 -6.006 9.326 1.00 0.00 O ATOM 198 OE2 GLU A 13 0.284 -7.616 10.736 1.00 0.00 O ATOM 0 H GLU A 13 3.540 -4.487 6.675 1.00 0.00 H new ATOM 0 HA GLU A 13 4.598 -6.313 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.437 -5.026 8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.735 -6.076 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.298 -8.069 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.829 -6.945 10.247 1.00 0.00 H new ATOM 205 N GLU A 14 3.432 -7.677 5.815 1.00 0.00 N ATOM 206 CA GLU A 14 3.404 -8.958 5.061 1.00 0.00 C ATOM 207 C GLU A 14 4.831 -9.430 4.762 1.00 0.00 C ATOM 208 O GLU A 14 5.118 -10.610 4.777 1.00 0.00 O ATOM 209 CB GLU A 14 2.652 -8.752 3.745 1.00 0.00 C ATOM 210 CG GLU A 14 2.500 -10.094 3.031 1.00 0.00 C ATOM 211 CD GLU A 14 1.840 -9.877 1.668 1.00 0.00 C ATOM 212 OE1 GLU A 14 1.564 -8.734 1.341 1.00 0.00 O ATOM 213 OE2 GLU A 14 1.622 -10.856 0.974 1.00 0.00 O ATOM 0 H GLU A 14 3.086 -6.865 5.304 1.00 0.00 H new ATOM 0 HA GLU A 14 2.900 -9.714 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.671 -8.317 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.193 -8.049 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.476 -10.562 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.897 -10.773 3.635 1.00 0.00 H new ATOM 220 N PHE A 15 5.723 -8.523 4.467 1.00 0.00 N ATOM 221 CA PHE A 15 7.121 -8.937 4.143 1.00 0.00 C ATOM 222 C PHE A 15 7.989 -8.954 5.405 1.00 0.00 C ATOM 223 O PHE A 15 8.585 -9.959 5.739 1.00 0.00 O ATOM 224 CB PHE A 15 7.723 -7.954 3.137 1.00 0.00 C ATOM 225 CG PHE A 15 6.799 -7.817 1.955 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.718 -8.836 1.000 1.00 0.00 C ATOM 227 CD2 PHE A 15 6.019 -6.665 1.818 1.00 0.00 C ATOM 228 CE1 PHE A 15 5.853 -8.703 -0.093 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.155 -6.529 0.728 1.00 0.00 C ATOM 230 CZ PHE A 15 5.070 -7.549 -0.229 1.00 0.00 C ATOM 0 H PHE A 15 5.547 -7.519 4.436 1.00 0.00 H new ATOM 0 HA PHE A 15 7.094 -9.941 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.875 -6.983 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.701 -8.306 2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.322 -9.725 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.084 -5.879 2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.789 -9.489 -0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.553 -5.638 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.401 -7.446 -1.071 1.00 0.00 H new ATOM 240 N LEU A 16 8.088 -7.844 6.093 1.00 0.00 N ATOM 241 CA LEU A 16 8.947 -7.797 7.315 1.00 0.00 C ATOM 242 C LEU A 16 8.166 -7.221 8.504 1.00 0.00 C ATOM 243 O LEU A 16 8.258 -6.050 8.814 1.00 0.00 O ATOM 244 CB LEU A 16 10.169 -6.920 7.024 1.00 0.00 C ATOM 245 CG LEU A 16 11.436 -7.775 7.083 1.00 0.00 C ATOM 246 CD1 LEU A 16 11.378 -8.850 5.996 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.661 -6.886 6.855 1.00 0.00 C ATOM 0 H LEU A 16 7.613 -6.971 5.862 1.00 0.00 H new ATOM 0 HA LEU A 16 9.263 -8.808 7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.074 -6.460 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.230 -6.110 7.751 1.00 0.00 H new ATOM 0 HG LEU A 16 11.508 -8.251 8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.281 -9.459 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.505 -9.483 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.306 -8.375 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.565 -7.494 6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.588 -6.410 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.703 -6.119 7.629 1.00 0.00 H new ATOM 259 N PRO A 17 7.411 -8.048 9.174 1.00 0.00 N ATOM 260 CA PRO A 17 6.616 -7.640 10.356 1.00 0.00 C ATOM 261 C PRO A 17 7.415 -7.758 11.659 1.00 0.00 C ATOM 262 O PRO A 17 7.097 -7.133 12.651 1.00 0.00 O ATOM 263 CB PRO A 17 5.454 -8.625 10.353 1.00 0.00 C ATOM 264 CG PRO A 17 5.957 -9.851 9.657 1.00 0.00 C ATOM 265 CD PRO A 17 7.224 -9.470 8.877 1.00 0.00 C ATOM 0 HA PRO A 17 6.308 -6.596 10.303 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.135 -8.856 11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.590 -8.208 9.835 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.177 -10.636 10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.197 -10.244 8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.082 -10.061 9.197 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.101 -9.641 7.808 1.00 0.00 H new ATOM 273 N ASP A 18 8.454 -8.553 11.664 1.00 0.00 N ATOM 274 CA ASP A 18 9.268 -8.702 12.900 1.00 0.00 C ATOM 275 C ASP A 18 10.147 -7.464 13.057 1.00 0.00 C ATOM 276 O ASP A 18 10.832 -7.289 14.046 1.00 0.00 O ATOM 277 CB ASP A 18 10.145 -9.945 12.780 1.00 0.00 C ATOM 278 CG ASP A 18 9.266 -11.197 12.789 1.00 0.00 C ATOM 279 OD1 ASP A 18 8.094 -11.071 13.105 1.00 0.00 O ATOM 280 OD2 ASP A 18 9.779 -12.259 12.481 1.00 0.00 O ATOM 0 H ASP A 18 8.771 -9.103 10.866 1.00 0.00 H new ATOM 0 HA ASP A 18 8.618 -8.806 13.769 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.727 -9.904 11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.856 -9.982 13.605 1.00 0.00 H new ATOM 285 N VAL A 19 10.106 -6.596 12.088 1.00 0.00 N ATOM 286 CA VAL A 19 10.904 -5.343 12.153 1.00 0.00 C ATOM 287 C VAL A 19 9.928 -4.175 12.246 1.00 0.00 C ATOM 288 O VAL A 19 8.869 -4.203 11.651 1.00 0.00 O ATOM 289 CB VAL A 19 11.756 -5.207 10.890 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.656 -3.976 11.010 1.00 0.00 C ATOM 291 CG2 VAL A 19 12.625 -6.456 10.724 1.00 0.00 C ATOM 0 H VAL A 19 9.546 -6.703 11.242 1.00 0.00 H new ATOM 0 HA VAL A 19 11.567 -5.356 13.018 1.00 0.00 H new ATOM 0 HB VAL A 19 11.104 -5.098 10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.263 -3.880 10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.040 -3.085 11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.308 -4.085 11.877 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.232 -6.360 9.824 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.276 -6.564 11.591 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.986 -7.335 10.638 1.00 0.00 H new ATOM 301 N ALA A 20 10.247 -3.153 12.988 1.00 0.00 N ATOM 302 CA ALA A 20 9.292 -2.020 13.095 1.00 0.00 C ATOM 303 C ALA A 20 9.078 -1.423 11.695 1.00 0.00 C ATOM 304 O ALA A 20 9.997 -0.897 11.105 1.00 0.00 O ATOM 305 CB ALA A 20 9.884 -0.949 14.014 1.00 0.00 C ATOM 0 H ALA A 20 11.114 -3.054 13.517 1.00 0.00 H new ATOM 0 HA ALA A 20 8.343 -2.367 13.503 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.187 -0.115 14.096 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.060 -1.374 15.002 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.827 -0.594 13.599 1.00 0.00 H new ATOM 311 N PRO A 21 7.879 -1.491 11.157 1.00 0.00 N ATOM 312 CA PRO A 21 7.600 -0.931 9.808 1.00 0.00 C ATOM 313 C PRO A 21 7.803 0.587 9.777 1.00 0.00 C ATOM 314 O PRO A 21 8.049 1.171 8.741 1.00 0.00 O ATOM 315 CB PRO A 21 6.142 -1.297 9.508 1.00 0.00 C ATOM 316 CG PRO A 21 5.584 -1.980 10.717 1.00 0.00 C ATOM 317 CD PRO A 21 6.687 -2.099 11.767 1.00 0.00 C ATOM 0 HA PRO A 21 8.282 -1.337 9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.564 -0.403 9.273 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.084 -1.952 8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.742 -1.414 11.116 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.207 -2.968 10.452 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.411 -1.583 12.687 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.869 -3.141 12.029 1.00 0.00 H new ATOM 325 N ALA A 22 7.705 1.225 10.911 1.00 0.00 N ATOM 326 CA ALA A 22 7.896 2.702 10.962 1.00 0.00 C ATOM 327 C ALA A 22 9.380 3.043 10.787 1.00 0.00 C ATOM 328 O ALA A 22 9.738 4.176 10.535 1.00 0.00 O ATOM 329 CB ALA A 22 7.412 3.231 12.314 1.00 0.00 C ATOM 0 H ALA A 22 7.500 0.785 11.808 1.00 0.00 H new ATOM 0 HA ALA A 22 7.323 3.165 10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.551 4.311 12.353 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.355 2.996 12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.985 2.762 13.114 1.00 0.00 H new ATOM 335 N ASP A 23 10.248 2.076 10.927 1.00 0.00 N ATOM 336 CA ASP A 23 11.704 2.360 10.777 1.00 0.00 C ATOM 337 C ASP A 23 12.115 2.171 9.318 1.00 0.00 C ATOM 338 O ASP A 23 13.283 2.171 8.985 1.00 0.00 O ATOM 339 CB ASP A 23 12.517 1.419 11.675 1.00 0.00 C ATOM 340 CG ASP A 23 12.386 -0.028 11.188 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.937 -0.225 10.071 1.00 0.00 O ATOM 342 OD2 ASP A 23 12.740 -0.917 11.944 1.00 0.00 O ATOM 0 H ASP A 23 10.013 1.106 11.138 1.00 0.00 H new ATOM 0 HA ASP A 23 11.901 3.390 11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.565 1.717 11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.168 1.496 12.705 1.00 0.00 H new ATOM 347 N VAL A 24 11.161 2.015 8.444 1.00 0.00 N ATOM 348 CA VAL A 24 11.495 1.832 7.007 1.00 0.00 C ATOM 349 C VAL A 24 11.434 3.191 6.315 1.00 0.00 C ATOM 350 O VAL A 24 10.530 3.972 6.540 1.00 0.00 O ATOM 351 CB VAL A 24 10.485 0.882 6.361 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.875 0.637 4.902 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.482 -0.448 7.116 1.00 0.00 C ATOM 0 H VAL A 24 10.165 2.006 8.664 1.00 0.00 H new ATOM 0 HA VAL A 24 12.494 1.408 6.909 1.00 0.00 H new ATOM 0 HB VAL A 24 9.491 1.327 6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.155 -0.040 4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.879 1.584 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.869 0.192 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.763 -1.126 6.656 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.477 -0.892 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.205 -0.275 8.156 1.00 0.00 H new ATOM 363 N ASP A 25 12.391 3.489 5.483 1.00 0.00 N ATOM 364 CA ASP A 25 12.382 4.806 4.794 1.00 0.00 C ATOM 365 C ASP A 25 11.155 4.894 3.888 1.00 0.00 C ATOM 366 O ASP A 25 11.228 4.650 2.700 1.00 0.00 O ATOM 367 CB ASP A 25 13.650 4.949 3.950 1.00 0.00 C ATOM 368 CG ASP A 25 14.870 5.021 4.871 1.00 0.00 C ATOM 369 OD1 ASP A 25 14.679 5.198 6.063 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.975 4.900 4.368 1.00 0.00 O ATOM 0 H ASP A 25 13.176 2.880 5.251 1.00 0.00 H new ATOM 0 HA ASP A 25 12.347 5.605 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.744 4.103 3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.591 5.847 3.335 1.00 0.00 H new ATOM 375 N VAL A 26 10.023 5.245 4.439 1.00 0.00 N ATOM 376 CA VAL A 26 8.794 5.349 3.603 1.00 0.00 C ATOM 377 C VAL A 26 9.002 6.421 2.530 1.00 0.00 C ATOM 378 O VAL A 26 8.110 6.729 1.764 1.00 0.00 O ATOM 379 CB VAL A 26 7.607 5.736 4.487 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.472 4.728 5.629 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.838 7.133 5.066 1.00 0.00 C ATOM 0 H VAL A 26 9.898 5.463 5.428 1.00 0.00 H new ATOM 0 HA VAL A 26 8.593 4.389 3.127 1.00 0.00 H new ATOM 0 HB VAL A 26 6.694 5.735 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.626 5.003 6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.309 3.732 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.384 4.729 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.993 7.410 5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.751 7.133 5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.935 7.852 4.253 1.00 0.00 H new ATOM 391 N ASP A 27 10.180 6.981 2.459 1.00 0.00 N ATOM 392 CA ASP A 27 10.455 8.019 1.427 1.00 0.00 C ATOM 393 C ASP A 27 11.184 7.363 0.254 1.00 0.00 C ATOM 394 O ASP A 27 11.615 8.018 -0.674 1.00 0.00 O ATOM 395 CB ASP A 27 11.333 9.120 2.026 1.00 0.00 C ATOM 396 CG ASP A 27 10.550 9.865 3.108 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.346 9.679 3.175 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.168 10.609 3.852 1.00 0.00 O ATOM 0 H ASP A 27 10.965 6.763 3.073 1.00 0.00 H new ATOM 0 HA ASP A 27 9.518 8.459 1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.239 8.687 2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.647 9.814 1.246 1.00 0.00 H new ATOM 403 N LEU A 28 11.323 6.066 0.297 1.00 0.00 N ATOM 404 CA LEU A 28 12.023 5.343 -0.800 1.00 0.00 C ATOM 405 C LEU A 28 10.994 4.780 -1.773 1.00 0.00 C ATOM 406 O LEU A 28 9.984 4.235 -1.374 1.00 0.00 O ATOM 407 CB LEU A 28 12.832 4.186 -0.210 1.00 0.00 C ATOM 408 CG LEU A 28 13.665 3.515 -1.306 1.00 0.00 C ATOM 409 CD1 LEU A 28 15.057 4.147 -1.350 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.788 2.020 -1.005 1.00 0.00 C ATOM 0 H LEU A 28 10.978 5.473 1.052 1.00 0.00 H new ATOM 0 HA LEU A 28 12.687 6.032 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.486 4.555 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.161 3.458 0.245 1.00 0.00 H new ATOM 0 HG LEU A 28 13.177 3.652 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.649 3.669 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.966 5.212 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.549 4.011 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.381 1.540 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.276 1.882 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.795 1.572 -0.976 1.00 0.00 H new ATOM 422 N ASP A 29 11.244 4.889 -3.046 1.00 0.00 N ATOM 423 CA ASP A 29 10.275 4.337 -4.023 1.00 0.00 C ATOM 424 C ASP A 29 10.169 2.832 -3.784 1.00 0.00 C ATOM 425 O ASP A 29 11.148 2.115 -3.840 1.00 0.00 O ATOM 426 CB ASP A 29 10.766 4.603 -5.448 1.00 0.00 C ATOM 427 CG ASP A 29 10.755 6.108 -5.720 1.00 0.00 C ATOM 428 OD1 ASP A 29 10.162 6.828 -4.933 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.341 6.515 -6.710 1.00 0.00 O ATOM 0 H ASP A 29 12.070 5.333 -3.447 1.00 0.00 H new ATOM 0 HA ASP A 29 9.301 4.810 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.773 4.207 -5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.127 4.088 -6.166 1.00 0.00 H new ATOM 434 N LEU A 30 8.995 2.350 -3.501 1.00 0.00 N ATOM 435 CA LEU A 30 8.835 0.895 -3.237 1.00 0.00 C ATOM 436 C LEU A 30 9.097 0.106 -4.520 1.00 0.00 C ATOM 437 O LEU A 30 8.879 -1.088 -4.579 1.00 0.00 O ATOM 438 CB LEU A 30 7.413 0.619 -2.749 1.00 0.00 C ATOM 439 CG LEU A 30 6.413 1.172 -3.763 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.347 0.117 -4.059 1.00 0.00 C ATOM 441 CD2 LEU A 30 5.746 2.423 -3.190 1.00 0.00 C ATOM 0 H LEU A 30 8.138 2.900 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 30 9.549 0.587 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.262 -0.453 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.254 1.082 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 30 6.936 1.427 -4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.634 0.513 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.822 -0.775 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.824 -0.140 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.032 2.818 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.224 2.167 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.505 3.177 -2.980 1.00 0.00 H new ATOM 453 N VAL A 31 9.561 0.758 -5.551 1.00 0.00 N ATOM 454 CA VAL A 31 9.829 0.030 -6.821 1.00 0.00 C ATOM 455 C VAL A 31 10.728 -1.168 -6.525 1.00 0.00 C ATOM 456 O VAL A 31 10.552 -2.238 -7.072 1.00 0.00 O ATOM 457 CB VAL A 31 10.518 0.966 -7.815 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.996 1.104 -7.448 1.00 0.00 C ATOM 459 CG2 VAL A 31 10.393 0.391 -9.227 1.00 0.00 C ATOM 0 H VAL A 31 9.765 1.757 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 31 8.891 -0.316 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 31 10.044 1.947 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.486 1.771 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.084 1.515 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.473 0.124 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.884 1.058 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.867 -0.590 -9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.339 0.295 -9.489 1.00 0.00 H new ATOM 469 N ASP A 32 11.673 -1.008 -5.642 1.00 0.00 N ATOM 470 CA ASP A 32 12.556 -2.154 -5.295 1.00 0.00 C ATOM 471 C ASP A 32 11.673 -3.255 -4.712 1.00 0.00 C ATOM 472 O ASP A 32 11.903 -4.432 -4.908 1.00 0.00 O ATOM 473 CB ASP A 32 13.596 -1.716 -4.260 1.00 0.00 C ATOM 474 CG ASP A 32 12.894 -1.335 -2.955 1.00 0.00 C ATOM 475 OD1 ASP A 32 11.716 -1.021 -3.007 1.00 0.00 O ATOM 476 OD2 ASP A 32 13.546 -1.364 -1.924 1.00 0.00 O ATOM 0 H ASP A 32 11.871 -0.138 -5.148 1.00 0.00 H new ATOM 0 HA ASP A 32 13.084 -2.513 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.307 -2.523 -4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.166 -0.868 -4.639 1.00 0.00 H new ATOM 481 N ASN A 33 10.644 -2.862 -4.013 1.00 0.00 N ATOM 482 CA ASN A 33 9.702 -3.847 -3.423 1.00 0.00 C ATOM 483 C ASN A 33 8.644 -4.185 -4.468 1.00 0.00 C ATOM 484 O ASN A 33 7.592 -4.708 -4.157 1.00 0.00 O ATOM 485 CB ASN A 33 9.033 -3.248 -2.193 1.00 0.00 C ATOM 486 CG ASN A 33 10.101 -2.836 -1.184 1.00 0.00 C ATOM 487 OD1 ASN A 33 11.013 -3.588 -0.901 1.00 0.00 O ATOM 488 ND2 ASN A 33 10.029 -1.661 -0.633 1.00 0.00 N ATOM 0 H ASN A 33 10.415 -1.886 -3.825 1.00 0.00 H new ATOM 0 HA ASN A 33 10.240 -4.747 -3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.433 -2.384 -2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.355 -3.974 -1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.739 -1.368 0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.263 -1.032 -0.872 1.00 0.00 H new ATOM 495 N GLY A 34 8.917 -3.865 -5.706 1.00 0.00 N ATOM 496 CA GLY A 34 7.941 -4.144 -6.797 1.00 0.00 C ATOM 497 C GLY A 34 7.330 -5.529 -6.595 1.00 0.00 C ATOM 498 O GLY A 34 6.327 -5.868 -7.186 1.00 0.00 O ATOM 0 H GLY A 34 9.783 -3.418 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.157 -3.386 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.438 -4.092 -7.766 1.00 0.00 H new ATOM 502 N VAL A 35 7.916 -6.330 -5.755 1.00 0.00 N ATOM 503 CA VAL A 35 7.346 -7.682 -5.516 1.00 0.00 C ATOM 504 C VAL A 35 5.859 -7.528 -5.192 1.00 0.00 C ATOM 505 O VAL A 35 5.035 -8.327 -5.592 1.00 0.00 O ATOM 506 CB VAL A 35 8.063 -8.336 -4.332 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.308 -9.595 -3.903 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.487 -8.713 -4.744 1.00 0.00 C ATOM 0 H VAL A 35 8.760 -6.110 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 35 7.475 -8.307 -6.400 1.00 0.00 H new ATOM 0 HB VAL A 35 8.097 -7.634 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.821 -10.058 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.293 -9.328 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.270 -10.298 -4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.998 -9.179 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.451 -9.413 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.028 -7.816 -5.046 1.00 0.00 H new ATOM 518 N ILE A 36 5.515 -6.499 -4.469 1.00 0.00 N ATOM 519 CA ILE A 36 4.087 -6.271 -4.107 1.00 0.00 C ATOM 520 C ILE A 36 3.289 -5.845 -5.341 1.00 0.00 C ATOM 521 O ILE A 36 2.088 -6.001 -5.401 1.00 0.00 O ATOM 522 CB ILE A 36 4.007 -5.145 -3.082 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.670 -5.225 -2.354 1.00 0.00 C ATOM 524 CG2 ILE A 36 4.107 -3.800 -3.803 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.385 -3.896 -1.654 1.00 0.00 C ATOM 0 H ILE A 36 6.166 -5.801 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 36 3.676 -7.196 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 36 4.823 -5.240 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.873 -5.453 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.690 -6.035 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.050 -2.991 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.056 -3.742 -4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.286 -3.706 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.429 -3.956 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.176 -3.687 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.346 -3.096 -2.394 1.00 0.00 H new ATOM 537 N ASP A 37 3.943 -5.279 -6.308 1.00 0.00 N ATOM 538 CA ASP A 37 3.224 -4.804 -7.526 1.00 0.00 C ATOM 539 C ASP A 37 2.466 -5.951 -8.199 1.00 0.00 C ATOM 540 O ASP A 37 1.451 -5.736 -8.832 1.00 0.00 O ATOM 541 CB ASP A 37 4.225 -4.213 -8.521 1.00 0.00 C ATOM 542 CG ASP A 37 4.872 -2.965 -7.918 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.362 -2.480 -6.921 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.867 -2.516 -8.462 1.00 0.00 O ATOM 0 H ASP A 37 4.951 -5.122 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 37 2.507 -4.042 -7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.990 -4.950 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.720 -3.959 -9.453 1.00 0.00 H new ATOM 549 N SER A 38 2.955 -7.159 -8.101 1.00 0.00 N ATOM 550 CA SER A 38 2.259 -8.296 -8.772 1.00 0.00 C ATOM 551 C SER A 38 1.648 -9.254 -7.744 1.00 0.00 C ATOM 552 O SER A 38 0.447 -9.425 -7.684 1.00 0.00 O ATOM 553 CB SER A 38 3.267 -9.055 -9.635 1.00 0.00 C ATOM 554 OG SER A 38 4.208 -8.125 -10.185 1.00 0.00 O ATOM 0 H SER A 38 3.801 -7.407 -7.588 1.00 0.00 H new ATOM 0 HA SER A 38 1.453 -7.897 -9.388 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.785 -9.804 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.752 -9.586 -10.435 1.00 0.00 H new ATOM 0 HG SER A 38 4.858 -8.606 -10.738 1.00 0.00 H new ATOM 559 N LEU A 39 2.459 -9.898 -6.954 1.00 0.00 N ATOM 560 CA LEU A 39 1.911 -10.862 -5.957 1.00 0.00 C ATOM 561 C LEU A 39 1.121 -10.125 -4.877 1.00 0.00 C ATOM 562 O LEU A 39 -0.001 -10.473 -4.568 1.00 0.00 O ATOM 563 CB LEU A 39 3.065 -11.631 -5.312 1.00 0.00 C ATOM 564 CG LEU A 39 2.517 -12.756 -4.428 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.412 -13.989 -4.561 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.503 -12.301 -2.966 1.00 0.00 C ATOM 0 H LEU A 39 3.474 -9.800 -6.954 1.00 0.00 H new ATOM 0 HA LEU A 39 1.241 -11.555 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.712 -12.047 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.676 -10.953 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 39 1.503 -13.001 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.023 -14.790 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.427 -14.318 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.425 -13.739 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.113 -13.103 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.517 -12.056 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.869 -11.420 -2.865 1.00 0.00 H new ATOM 578 N GLY A 40 1.698 -9.115 -4.296 1.00 0.00 N ATOM 579 CA GLY A 40 0.982 -8.360 -3.230 1.00 0.00 C ATOM 580 C GLY A 40 -0.168 -7.559 -3.838 1.00 0.00 C ATOM 581 O GLY A 40 -1.224 -7.425 -3.253 1.00 0.00 O ATOM 0 H GLY A 40 2.636 -8.777 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.598 -9.051 -2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.674 -7.689 -2.721 1.00 0.00 H new ATOM 585 N LEU A 41 0.034 -7.018 -5.005 1.00 0.00 N ATOM 586 CA LEU A 41 -1.039 -6.215 -5.651 1.00 0.00 C ATOM 587 C LEU A 41 -2.283 -7.078 -5.832 1.00 0.00 C ATOM 588 O LEU A 41 -3.392 -6.641 -5.603 1.00 0.00 O ATOM 589 CB LEU A 41 -0.544 -5.724 -7.013 1.00 0.00 C ATOM 590 CG LEU A 41 -1.568 -4.760 -7.625 1.00 0.00 C ATOM 591 CD1 LEU A 41 -0.900 -3.955 -8.739 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.760 -5.535 -8.206 1.00 0.00 C ATOM 0 H LEU A 41 0.898 -7.097 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.289 -5.359 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.418 -5.223 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.386 -6.572 -7.680 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.930 -4.091 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.625 -3.268 -9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.065 -3.388 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.533 -4.634 -9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.475 -4.834 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.408 -6.215 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.243 -6.107 -7.414 1.00 0.00 H new ATOM 604 N LEU A 42 -2.110 -8.305 -6.230 1.00 0.00 N ATOM 605 CA LEU A 42 -3.293 -9.189 -6.412 1.00 0.00 C ATOM 606 C LEU A 42 -3.979 -9.376 -5.058 1.00 0.00 C ATOM 607 O LEU A 42 -5.187 -9.300 -4.945 1.00 0.00 O ATOM 608 CB LEU A 42 -2.837 -10.550 -6.949 1.00 0.00 C ATOM 609 CG LEU A 42 -4.057 -11.421 -7.255 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.744 -10.919 -8.523 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.607 -12.869 -7.461 1.00 0.00 C ATOM 0 H LEU A 42 -1.207 -8.733 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.988 -8.740 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.240 -10.414 -7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.199 -11.045 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.757 -11.368 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.612 -11.542 -8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.064 -9.887 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.046 -10.969 -9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.474 -13.492 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.907 -12.917 -8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.119 -13.231 -6.556 1.00 0.00 H new ATOM 623 N LYS A 43 -3.213 -9.609 -4.028 1.00 0.00 N ATOM 624 CA LYS A 43 -3.808 -9.790 -2.678 1.00 0.00 C ATOM 625 C LYS A 43 -4.398 -8.463 -2.190 1.00 0.00 C ATOM 626 O LYS A 43 -5.416 -8.430 -1.528 1.00 0.00 O ATOM 627 CB LYS A 43 -2.721 -10.251 -1.711 1.00 0.00 C ATOM 628 CG LYS A 43 -2.220 -11.635 -2.128 1.00 0.00 C ATOM 629 CD LYS A 43 -1.215 -12.148 -1.094 1.00 0.00 C ATOM 630 CE LYS A 43 -0.627 -13.478 -1.570 1.00 0.00 C ATOM 631 NZ LYS A 43 -1.726 -14.463 -1.774 1.00 0.00 N ATOM 0 H LYS A 43 -2.196 -9.682 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.600 -10.537 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.896 -9.539 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.114 -10.286 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.058 -12.327 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.752 -11.583 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.419 -11.417 -0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.705 -12.279 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.077 -13.333 -2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.084 -13.857 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.329 -15.423 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.400 -14.399 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.217 -14.255 -2.667 1.00 0.00 H new ATOM 645 N VAL A 44 -3.756 -7.370 -2.504 1.00 0.00 N ATOM 646 CA VAL A 44 -4.264 -6.043 -2.051 1.00 0.00 C ATOM 647 C VAL A 44 -5.647 -5.775 -2.647 1.00 0.00 C ATOM 648 O VAL A 44 -6.554 -5.347 -1.963 1.00 0.00 O ATOM 649 CB VAL A 44 -3.297 -4.954 -2.511 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.908 -3.582 -2.231 1.00 0.00 C ATOM 651 CG2 VAL A 44 -1.979 -5.093 -1.746 1.00 0.00 C ATOM 0 H VAL A 44 -2.899 -7.339 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.340 -6.041 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.110 -5.056 -3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.219 -2.803 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.849 -3.485 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.092 -3.477 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.286 -4.317 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.166 -4.988 -0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.545 -6.073 -1.944 1.00 0.00 H new ATOM 661 N ILE A 45 -5.815 -6.018 -3.914 1.00 0.00 N ATOM 662 CA ILE A 45 -7.138 -5.774 -4.548 1.00 0.00 C ATOM 663 C ILE A 45 -8.192 -6.658 -3.879 1.00 0.00 C ATOM 664 O ILE A 45 -9.266 -6.208 -3.532 1.00 0.00 O ATOM 665 CB ILE A 45 -7.050 -6.106 -6.039 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.697 -4.841 -6.827 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.393 -6.649 -6.525 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.493 -4.147 -6.187 1.00 0.00 C ATOM 0 H ILE A 45 -5.093 -6.376 -4.539 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.420 -4.728 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.277 -6.859 -6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.472 -5.098 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.551 -4.164 -6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.327 -6.885 -7.587 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.644 -7.552 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.168 -5.899 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.248 -3.248 -6.753 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.734 -3.874 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.638 -4.823 -6.192 1.00 0.00 H new ATOM 680 N ALA A 46 -7.892 -7.913 -3.698 1.00 0.00 N ATOM 681 CA ALA A 46 -8.873 -8.830 -3.055 1.00 0.00 C ATOM 682 C ALA A 46 -9.120 -8.390 -1.610 1.00 0.00 C ATOM 683 O ALA A 46 -10.230 -8.433 -1.119 1.00 0.00 O ATOM 684 CB ALA A 46 -8.307 -10.249 -3.060 1.00 0.00 C ATOM 0 H ALA A 46 -7.008 -8.344 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.813 -8.802 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.020 -10.927 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.128 -10.566 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.369 -10.268 -2.506 1.00 0.00 H new ATOM 690 N TRP A 47 -8.092 -7.971 -0.927 1.00 0.00 N ATOM 691 CA TRP A 47 -8.261 -7.532 0.486 1.00 0.00 C ATOM 692 C TRP A 47 -8.941 -6.164 0.529 1.00 0.00 C ATOM 693 O TRP A 47 -9.796 -5.911 1.354 1.00 0.00 O ATOM 694 CB TRP A 47 -6.886 -7.446 1.151 1.00 0.00 C ATOM 695 CG TRP A 47 -6.899 -6.393 2.212 1.00 0.00 C ATOM 696 CD1 TRP A 47 -7.322 -6.569 3.485 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.469 -5.005 2.112 1.00 0.00 C ATOM 698 NE1 TRP A 47 -7.178 -5.377 4.173 1.00 0.00 N ATOM 699 CE2 TRP A 47 -6.654 -4.383 3.368 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.941 -4.235 1.062 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.324 -3.043 3.574 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -5.609 -2.888 1.265 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.799 -2.294 2.518 1.00 0.00 C ATOM 0 H TRP A 47 -7.140 -7.913 -1.287 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.883 -8.252 1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -6.622 -8.410 1.586 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.126 -7.214 0.405 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.709 -7.489 3.897 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.428 -5.248 5.153 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.790 -4.684 0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.473 -2.588 4.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.205 -2.306 0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.540 -1.256 2.669 1.00 0.00 H new ATOM 714 N LEU A 48 -8.562 -5.274 -0.346 1.00 0.00 N ATOM 715 CA LEU A 48 -9.182 -3.922 -0.342 1.00 0.00 C ATOM 716 C LEU A 48 -10.694 -4.053 -0.526 1.00 0.00 C ATOM 717 O LEU A 48 -11.470 -3.448 0.187 1.00 0.00 O ATOM 718 CB LEU A 48 -8.595 -3.100 -1.489 1.00 0.00 C ATOM 719 CG LEU A 48 -9.066 -1.655 -1.381 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.372 -0.981 -0.200 1.00 0.00 C ATOM 721 CD2 LEU A 48 -8.717 -0.912 -2.671 1.00 0.00 C ATOM 0 H LEU A 48 -7.851 -5.425 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.978 -3.426 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.506 -3.141 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.903 -3.522 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.145 -1.632 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.708 0.053 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.618 -1.513 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.293 -1.001 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.053 0.122 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.638 -0.933 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.211 -1.395 -3.514 1.00 0.00 H new ATOM 733 N GLU A 49 -11.120 -4.850 -1.465 1.00 0.00 N ATOM 734 CA GLU A 49 -12.583 -5.031 -1.676 1.00 0.00 C ATOM 735 C GLU A 49 -13.176 -5.744 -0.463 1.00 0.00 C ATOM 736 O GLU A 49 -14.258 -5.431 -0.014 1.00 0.00 O ATOM 737 CB GLU A 49 -12.811 -5.853 -2.955 1.00 0.00 C ATOM 738 CG GLU A 49 -14.244 -6.390 -3.008 1.00 0.00 C ATOM 739 CD GLU A 49 -14.451 -7.156 -4.315 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.494 -7.288 -5.060 1.00 0.00 O ATOM 741 OE2 GLU A 49 -15.563 -7.599 -4.549 1.00 0.00 O ATOM 0 H GLU A 49 -10.520 -5.383 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.073 -4.064 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.618 -5.233 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.105 -6.683 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.431 -7.044 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.955 -5.567 -2.939 1.00 0.00 H new ATOM 748 N ASP A 50 -12.473 -6.700 0.070 1.00 0.00 N ATOM 749 CA ASP A 50 -12.991 -7.437 1.254 1.00 0.00 C ATOM 750 C ASP A 50 -13.094 -6.501 2.461 1.00 0.00 C ATOM 751 O ASP A 50 -14.044 -6.546 3.217 1.00 0.00 O ATOM 752 CB ASP A 50 -12.031 -8.576 1.587 1.00 0.00 C ATOM 753 CG ASP A 50 -12.646 -9.468 2.667 1.00 0.00 C ATOM 754 OD1 ASP A 50 -13.790 -9.233 3.020 1.00 0.00 O ATOM 755 OD2 ASP A 50 -11.963 -10.370 3.122 1.00 0.00 O ATOM 0 H ASP A 50 -11.559 -7.005 -0.264 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.982 -7.830 1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.823 -9.163 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.079 -8.173 1.933 1.00 0.00 H new ATOM 760 N ARG A 51 -12.108 -5.671 2.661 1.00 0.00 N ATOM 761 CA ARG A 51 -12.126 -4.751 3.835 1.00 0.00 C ATOM 762 C ARG A 51 -13.292 -3.759 3.750 1.00 0.00 C ATOM 763 O ARG A 51 -13.966 -3.509 4.730 1.00 0.00 O ATOM 764 CB ARG A 51 -10.808 -3.978 3.892 1.00 0.00 C ATOM 765 CG ARG A 51 -10.763 -3.144 5.173 1.00 0.00 C ATOM 766 CD ARG A 51 -9.451 -2.361 5.228 1.00 0.00 C ATOM 767 NE ARG A 51 -9.363 -1.629 6.523 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.578 -0.592 6.634 1.00 0.00 C ATOM 769 NH1 ARG A 51 -7.869 -0.198 5.612 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.501 0.049 7.768 1.00 0.00 N ATOM 0 H ARG A 51 -11.288 -5.589 2.060 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.253 -5.351 4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.966 -4.670 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.715 -3.331 3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.609 -2.458 5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.848 -3.793 6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.605 -3.040 5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.399 -1.658 4.397 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.916 -1.938 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.928 -0.700 4.726 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.256 0.612 5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.054 -0.260 8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.888 0.859 7.855 1.00 0.00 H new ATOM 784 N PHE A 52 -13.529 -3.172 2.604 1.00 0.00 N ATOM 785 CA PHE A 52 -14.637 -2.184 2.494 1.00 0.00 C ATOM 786 C PHE A 52 -15.821 -2.787 1.735 1.00 0.00 C ATOM 787 O PHE A 52 -16.888 -2.208 1.677 1.00 0.00 O ATOM 788 CB PHE A 52 -14.125 -0.954 1.747 1.00 0.00 C ATOM 789 CG PHE A 52 -13.054 -0.274 2.566 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.412 0.583 3.614 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.703 -0.499 2.277 1.00 0.00 C ATOM 792 CE1 PHE A 52 -12.419 1.215 4.372 1.00 0.00 C ATOM 793 CE2 PHE A 52 -10.710 0.133 3.035 1.00 0.00 C ATOM 794 CZ PHE A 52 -11.068 0.989 4.082 1.00 0.00 C ATOM 0 H PHE A 52 -13.004 -3.335 1.745 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.972 -1.907 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.724 -1.246 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.946 -0.263 1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.454 0.756 3.838 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.427 -1.160 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -12.695 1.876 5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.668 -0.040 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.302 1.476 4.667 1.00 0.00 H new ATOM 804 N GLY A 53 -15.651 -3.940 1.154 1.00 0.00 N ATOM 805 CA GLY A 53 -16.780 -4.563 0.406 1.00 0.00 C ATOM 806 C GLY A 53 -17.047 -3.768 -0.874 1.00 0.00 C ATOM 807 O GLY A 53 -18.153 -3.745 -1.377 1.00 0.00 O ATOM 0 H GLY A 53 -14.784 -4.477 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.540 -5.598 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.675 -4.582 1.028 1.00 0.00 H new ATOM 811 N ILE A 54 -16.047 -3.109 -1.401 1.00 0.00 N ATOM 812 CA ILE A 54 -16.250 -2.307 -2.645 1.00 0.00 C ATOM 813 C ILE A 54 -15.408 -2.890 -3.782 1.00 0.00 C ATOM 814 O ILE A 54 -14.374 -3.484 -3.561 1.00 0.00 O ATOM 815 CB ILE A 54 -15.818 -0.865 -2.381 1.00 0.00 C ATOM 816 CG1 ILE A 54 -14.301 -0.823 -2.179 1.00 0.00 C ATOM 817 CG2 ILE A 54 -16.519 -0.345 -1.125 1.00 0.00 C ATOM 818 CD1 ILE A 54 -13.885 0.570 -1.711 1.00 0.00 C ATOM 0 H ILE A 54 -15.099 -3.092 -1.024 1.00 0.00 H new ATOM 0 HA ILE A 54 -17.302 -2.335 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 54 -16.090 -0.238 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.001 -1.569 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.793 -1.071 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -16.211 0.683 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -17.599 -0.380 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -16.247 -0.967 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.805 0.598 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -14.171 1.307 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -14.382 0.801 -0.769 1.00 0.00 H new ATOM 830 N ALA A 55 -15.841 -2.716 -4.999 1.00 0.00 N ATOM 831 CA ALA A 55 -15.068 -3.259 -6.150 1.00 0.00 C ATOM 832 C ALA A 55 -13.686 -2.607 -6.190 1.00 0.00 C ATOM 833 O ALA A 55 -13.487 -1.517 -5.690 1.00 0.00 O ATOM 834 CB ALA A 55 -15.812 -2.957 -7.452 1.00 0.00 C ATOM 0 H ALA A 55 -16.698 -2.221 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.957 -4.337 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.246 -3.354 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.797 -3.422 -7.424 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.923 -1.879 -7.566 1.00 0.00 H new ATOM 840 N ALA A 56 -12.727 -3.269 -6.775 1.00 0.00 N ATOM 841 CA ALA A 56 -11.356 -2.692 -6.840 1.00 0.00 C ATOM 842 C ALA A 56 -11.425 -1.296 -7.465 1.00 0.00 C ATOM 843 O ALA A 56 -10.610 -0.440 -7.186 1.00 0.00 O ATOM 844 CB ALA A 56 -10.466 -3.590 -7.700 1.00 0.00 C ATOM 0 H ALA A 56 -12.834 -4.185 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.940 -2.624 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.462 -3.168 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.420 -4.586 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.880 -3.657 -8.706 1.00 0.00 H new ATOM 850 N ASP A 57 -12.396 -1.064 -8.308 1.00 0.00 N ATOM 851 CA ASP A 57 -12.531 0.273 -8.955 1.00 0.00 C ATOM 852 C ASP A 57 -11.234 0.636 -9.680 1.00 0.00 C ATOM 853 O ASP A 57 -10.741 1.742 -9.573 1.00 0.00 O ATOM 854 CB ASP A 57 -12.839 1.329 -7.894 1.00 0.00 C ATOM 855 CG ASP A 57 -14.205 1.041 -7.268 1.00 0.00 C ATOM 856 OD1 ASP A 57 -14.938 0.247 -7.833 1.00 0.00 O ATOM 857 OD2 ASP A 57 -14.494 1.620 -6.233 1.00 0.00 O ATOM 0 H ASP A 57 -13.104 -1.747 -8.577 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.346 0.238 -9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.066 1.323 -7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.835 2.322 -8.343 1.00 0.00 H new ATOM 862 N ASP A 58 -10.681 -0.283 -10.423 1.00 0.00 N ATOM 863 CA ASP A 58 -9.420 0.010 -11.162 1.00 0.00 C ATOM 864 C ASP A 58 -9.546 -0.513 -12.595 1.00 0.00 C ATOM 865 O ASP A 58 -9.434 -1.696 -12.846 1.00 0.00 O ATOM 866 CB ASP A 58 -8.248 -0.678 -10.467 1.00 0.00 C ATOM 867 CG ASP A 58 -8.040 -0.059 -9.083 1.00 0.00 C ATOM 868 OD1 ASP A 58 -8.610 0.990 -8.833 1.00 0.00 O ATOM 869 OD2 ASP A 58 -7.314 -0.645 -8.297 1.00 0.00 O ATOM 0 H ASP A 58 -11.049 -1.226 -10.551 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.245 1.086 -11.178 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.443 -1.746 -10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.343 -0.570 -11.065 1.00 0.00 H new ATOM 874 N VAL A 59 -9.788 0.359 -13.536 1.00 0.00 N ATOM 875 CA VAL A 59 -9.933 -0.091 -14.949 1.00 0.00 C ATOM 876 C VAL A 59 -8.626 -0.728 -15.429 1.00 0.00 C ATOM 877 O VAL A 59 -8.627 -1.769 -16.056 1.00 0.00 O ATOM 878 CB VAL A 59 -10.273 1.111 -15.829 1.00 0.00 C ATOM 879 CG1 VAL A 59 -10.429 0.664 -17.285 1.00 0.00 C ATOM 880 CG2 VAL A 59 -11.584 1.738 -15.348 1.00 0.00 C ATOM 0 H VAL A 59 -9.891 1.363 -13.387 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.732 -0.829 -15.014 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.468 1.843 -15.762 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.671 1.526 -17.906 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.496 0.218 -17.631 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.231 -0.071 -17.356 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.828 2.596 -15.974 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.385 1.001 -15.413 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.474 2.064 -14.314 1.00 0.00 H new ATOM 890 N GLU A 60 -7.511 -0.115 -15.143 1.00 0.00 N ATOM 891 CA GLU A 60 -6.210 -0.694 -15.588 1.00 0.00 C ATOM 892 C GLU A 60 -5.156 -0.500 -14.502 1.00 0.00 C ATOM 893 O GLU A 60 -5.130 0.505 -13.820 1.00 0.00 O ATOM 894 CB GLU A 60 -5.760 0.001 -16.871 1.00 0.00 C ATOM 895 CG GLU A 60 -6.789 -0.260 -17.959 1.00 0.00 C ATOM 896 CD GLU A 60 -6.344 0.408 -19.261 1.00 0.00 C ATOM 897 OE1 GLU A 60 -5.385 1.161 -19.220 1.00 0.00 O ATOM 898 OE2 GLU A 60 -6.970 0.155 -20.278 1.00 0.00 O ATOM 0 H GLU A 60 -7.443 0.759 -14.622 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.335 -1.761 -15.775 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.654 1.073 -16.702 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.783 -0.372 -17.179 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.907 -1.333 -18.111 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.761 0.128 -17.654 1.00 0.00 H new ATOM 905 N LEU A 61 -4.289 -1.461 -14.334 1.00 0.00 N ATOM 906 CA LEU A 61 -3.237 -1.344 -13.290 1.00 0.00 C ATOM 907 C LEU A 61 -1.880 -1.136 -13.969 1.00 0.00 C ATOM 908 O LEU A 61 -1.542 -1.822 -14.913 1.00 0.00 O ATOM 909 CB LEU A 61 -3.201 -2.635 -12.470 1.00 0.00 C ATOM 910 CG LEU A 61 -4.607 -3.234 -12.383 1.00 0.00 C ATOM 911 CD1 LEU A 61 -4.581 -4.469 -11.482 1.00 0.00 C ATOM 912 CD2 LEU A 61 -5.586 -2.208 -11.806 1.00 0.00 C ATOM 0 H LEU A 61 -4.266 -2.324 -14.877 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.454 -0.500 -12.636 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.519 -3.350 -12.930 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.820 -2.430 -11.469 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.933 -3.514 -13.385 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.582 -4.895 -11.420 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.897 -5.208 -11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.245 -4.185 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.582 -2.647 -11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.261 -1.917 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.613 -1.329 -12.450 1.00 0.00 H new ATOM 924 N SER A 62 -1.102 -0.196 -13.501 1.00 0.00 N ATOM 925 CA SER A 62 0.225 0.049 -14.124 1.00 0.00 C ATOM 926 C SER A 62 1.283 0.230 -13.029 1.00 0.00 C ATOM 927 O SER A 62 0.978 0.633 -11.924 1.00 0.00 O ATOM 928 CB SER A 62 0.148 1.316 -14.968 1.00 0.00 C ATOM 929 OG SER A 62 -0.915 2.132 -14.494 1.00 0.00 O ATOM 0 H SER A 62 -1.331 0.411 -12.714 1.00 0.00 H new ATOM 0 HA SER A 62 0.499 -0.799 -14.751 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.091 1.860 -14.915 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.014 1.060 -16.015 1.00 0.00 H new ATOM 0 HG SER A 62 -0.966 2.949 -15.034 1.00 0.00 H new ATOM 935 N PRO A 63 2.522 -0.060 -13.338 1.00 0.00 N ATOM 936 CA PRO A 63 3.649 0.078 -12.369 1.00 0.00 C ATOM 937 C PRO A 63 3.849 1.529 -11.923 1.00 0.00 C ATOM 938 O PRO A 63 4.351 1.798 -10.850 1.00 0.00 O ATOM 939 CB PRO A 63 4.877 -0.415 -13.143 1.00 0.00 C ATOM 940 CG PRO A 63 4.497 -0.365 -14.586 1.00 0.00 C ATOM 941 CD PRO A 63 2.984 -0.548 -14.645 1.00 0.00 C ATOM 0 HA PRO A 63 3.462 -0.487 -11.456 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.743 0.216 -12.945 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.146 -1.428 -12.845 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.790 0.586 -15.031 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.004 -1.149 -15.148 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.544 0.021 -15.463 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.713 -1.592 -14.801 1.00 0.00 H new ATOM 949 N GLU A 64 3.463 2.465 -12.745 1.00 0.00 N ATOM 950 CA GLU A 64 3.632 3.900 -12.383 1.00 0.00 C ATOM 951 C GLU A 64 2.877 4.203 -11.087 1.00 0.00 C ATOM 952 O GLU A 64 3.272 5.048 -10.308 1.00 0.00 O ATOM 953 CB GLU A 64 3.077 4.774 -13.506 1.00 0.00 C ATOM 954 CG GLU A 64 3.365 6.240 -13.204 1.00 0.00 C ATOM 955 CD GLU A 64 2.715 7.121 -14.272 1.00 0.00 C ATOM 956 OE1 GLU A 64 2.075 6.573 -15.155 1.00 0.00 O ATOM 957 OE2 GLU A 64 2.867 8.329 -14.189 1.00 0.00 O ATOM 0 H GLU A 64 3.036 2.297 -13.656 1.00 0.00 H new ATOM 0 HA GLU A 64 4.692 4.111 -12.240 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.530 4.493 -14.457 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.003 4.617 -13.605 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.979 6.501 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.441 6.413 -13.181 1.00 0.00 H new ATOM 964 N HIS A 65 1.783 3.532 -10.861 1.00 0.00 N ATOM 965 CA HIS A 65 0.982 3.788 -9.629 1.00 0.00 C ATOM 966 C HIS A 65 1.710 3.280 -8.379 1.00 0.00 C ATOM 967 O HIS A 65 1.480 3.760 -7.286 1.00 0.00 O ATOM 968 CB HIS A 65 -0.364 3.072 -9.751 1.00 0.00 C ATOM 969 CG HIS A 65 -1.192 3.355 -8.529 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.634 4.632 -8.214 1.00 0.00 N ATOM 971 CD2 HIS A 65 -1.665 2.537 -7.532 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.338 4.546 -7.071 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.387 3.293 -6.616 1.00 0.00 N ATOM 0 H HIS A 65 1.406 2.813 -11.479 1.00 0.00 H new ATOM 0 HA HIS A 65 0.836 4.864 -9.529 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.888 3.409 -10.645 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.209 1.998 -9.858 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.501 1.471 -7.470 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.806 5.388 -6.582 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.856 2.960 -5.773 1.00 0.00 H new ATOM 982 N PHE A 66 2.557 2.297 -8.515 1.00 0.00 N ATOM 983 CA PHE A 66 3.257 1.750 -7.313 1.00 0.00 C ATOM 984 C PHE A 66 4.681 2.303 -7.195 1.00 0.00 C ATOM 985 O PHE A 66 5.446 1.872 -6.356 1.00 0.00 O ATOM 986 CB PHE A 66 3.308 0.226 -7.420 1.00 0.00 C ATOM 987 CG PHE A 66 1.900 -0.316 -7.393 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.297 -0.640 -6.172 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.194 -0.488 -8.590 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.011 -1.138 -6.147 1.00 0.00 C ATOM 991 CE2 PHE A 66 -0.115 -0.985 -8.565 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.717 -1.310 -7.344 1.00 0.00 C ATOM 0 H PHE A 66 2.795 1.849 -9.400 1.00 0.00 H new ATOM 0 HA PHE A 66 2.705 2.052 -6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.808 -0.070 -8.342 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.887 -0.190 -6.596 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.841 -0.506 -5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.659 -0.237 -9.532 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.475 -1.389 -5.205 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.660 -1.118 -9.488 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.726 -1.694 -7.325 1.00 0.00 H new ATOM 1002 N ARG A 67 5.054 3.247 -8.013 1.00 0.00 N ATOM 1003 CA ARG A 67 6.437 3.799 -7.912 1.00 0.00 C ATOM 1004 C ARG A 67 6.663 4.399 -6.520 1.00 0.00 C ATOM 1005 O ARG A 67 7.744 4.316 -5.972 1.00 0.00 O ATOM 1006 CB ARG A 67 6.643 4.884 -8.971 1.00 0.00 C ATOM 1007 CG ARG A 67 6.605 4.263 -10.368 1.00 0.00 C ATOM 1008 CD ARG A 67 7.950 3.601 -10.688 1.00 0.00 C ATOM 1009 NE ARG A 67 7.986 3.230 -12.131 1.00 0.00 N ATOM 1010 CZ ARG A 67 9.131 3.079 -12.737 1.00 0.00 C ATOM 1011 NH1 ARG A 67 10.245 3.255 -12.081 1.00 0.00 N ATOM 1012 NH2 ARG A 67 9.163 2.753 -14.001 1.00 0.00 N ATOM 0 H ARG A 67 4.469 3.658 -8.741 1.00 0.00 H new ATOM 0 HA ARG A 67 7.150 2.991 -8.076 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.867 5.644 -8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.599 5.383 -8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.805 3.525 -10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.383 5.030 -11.110 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.768 4.283 -10.456 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.088 2.714 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 67 7.115 3.094 -12.645 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.221 3.511 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.140 3.137 -12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.292 2.616 -14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.059 2.635 -14.475 1.00 0.00 H new ATOM 1026 N SER A 68 5.660 5.008 -5.944 1.00 0.00 N ATOM 1027 CA SER A 68 5.840 5.612 -4.590 1.00 0.00 C ATOM 1028 C SER A 68 4.615 5.327 -3.716 1.00 0.00 C ATOM 1029 O SER A 68 3.511 5.179 -4.200 1.00 0.00 O ATOM 1030 CB SER A 68 6.022 7.123 -4.731 1.00 0.00 C ATOM 1031 OG SER A 68 4.812 7.699 -5.205 1.00 0.00 O ATOM 0 H SER A 68 4.730 5.113 -6.349 1.00 0.00 H new ATOM 0 HA SER A 68 6.721 5.175 -4.119 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.294 7.559 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.837 7.340 -5.422 1.00 0.00 H new ATOM 0 HG SER A 68 4.924 8.668 -5.295 1.00 0.00 H new ATOM 1037 N ILE A 69 4.809 5.257 -2.426 1.00 0.00 N ATOM 1038 CA ILE A 69 3.678 4.990 -1.500 1.00 0.00 C ATOM 1039 C ILE A 69 2.690 6.160 -1.531 1.00 0.00 C ATOM 1040 O ILE A 69 1.494 5.979 -1.413 1.00 0.00 O ATOM 1041 CB ILE A 69 4.227 4.831 -0.083 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.194 3.654 -0.034 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.081 4.564 0.876 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.909 3.634 1.318 1.00 0.00 C ATOM 0 H ILE A 69 5.715 5.375 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 69 3.163 4.080 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 69 4.747 5.746 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.653 2.720 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.922 3.735 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.472 4.450 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.382 5.400 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.566 3.650 0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.600 2.792 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.463 4.563 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.174 3.532 2.117 1.00 0.00 H new ATOM 1056 N ARG A 70 3.183 7.360 -1.667 1.00 0.00 N ATOM 1057 CA ARG A 70 2.279 8.546 -1.680 1.00 0.00 C ATOM 1058 C ARG A 70 1.288 8.446 -2.842 1.00 0.00 C ATOM 1059 O ARG A 70 0.143 8.836 -2.724 1.00 0.00 O ATOM 1060 CB ARG A 70 3.115 9.817 -1.841 1.00 0.00 C ATOM 1061 CG ARG A 70 4.029 9.985 -0.627 1.00 0.00 C ATOM 1062 CD ARG A 70 4.773 11.317 -0.730 1.00 0.00 C ATOM 1063 NE ARG A 70 5.528 11.365 -2.013 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.720 10.839 -2.089 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.249 10.266 -1.043 1.00 0.00 N ATOM 1066 NH2 ARG A 70 7.382 10.884 -3.213 1.00 0.00 N ATOM 0 H ARG A 70 4.175 7.572 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 70 1.725 8.579 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.710 9.760 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.462 10.684 -1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.442 9.954 0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.741 9.161 -0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.066 12.145 -0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.457 11.430 0.111 1.00 0.00 H new ATOM 0 HE ARG A 70 5.113 11.809 -2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.731 10.229 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.181 9.855 -1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.968 11.330 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.314 10.473 -3.273 1.00 0.00 H new ATOM 1080 N SER A 71 1.711 7.937 -3.965 1.00 0.00 N ATOM 1081 CA SER A 71 0.777 7.832 -5.122 1.00 0.00 C ATOM 1082 C SER A 71 -0.434 6.982 -4.728 1.00 0.00 C ATOM 1083 O SER A 71 -1.565 7.337 -4.992 1.00 0.00 O ATOM 1084 CB SER A 71 1.498 7.177 -6.300 1.00 0.00 C ATOM 1085 OG SER A 71 0.677 7.259 -7.457 1.00 0.00 O ATOM 0 H SER A 71 2.656 7.591 -4.132 1.00 0.00 H new ATOM 0 HA SER A 71 0.442 8.829 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.451 7.674 -6.480 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.721 6.135 -6.071 1.00 0.00 H new ATOM 0 HG SER A 71 1.137 6.841 -8.215 1.00 0.00 H new ATOM 1091 N ILE A 72 -0.206 5.862 -4.098 1.00 0.00 N ATOM 1092 CA ILE A 72 -1.337 4.992 -3.687 1.00 0.00 C ATOM 1093 C ILE A 72 -2.150 5.676 -2.585 1.00 0.00 C ATOM 1094 O ILE A 72 -3.363 5.618 -2.567 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.777 3.671 -3.164 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.044 2.994 -4.264 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.929 2.761 -2.757 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.708 1.735 -3.704 1.00 0.00 C ATOM 0 H ILE A 72 0.720 5.513 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.987 4.809 -4.542 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.139 3.861 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.599 2.735 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.802 3.680 -4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.532 1.817 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.515 3.244 -1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.565 2.570 -3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.293 1.253 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.364 2.007 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.059 1.047 -3.348 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.488 6.312 -1.657 1.00 0.00 N ATOM 1111 CA ASP A 73 -2.217 6.987 -0.546 1.00 0.00 C ATOM 1112 C ASP A 73 -3.170 8.048 -1.103 1.00 0.00 C ATOM 1113 O ASP A 73 -4.274 8.213 -0.623 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.207 7.655 0.389 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.924 8.151 1.646 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -3.112 7.898 1.765 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -1.274 8.776 2.468 1.00 0.00 O ATOM 0 H ASP A 73 -0.472 6.393 -1.620 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.796 6.243 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.423 6.947 0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.722 8.489 -0.119 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.754 8.776 -2.102 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.641 9.830 -2.669 1.00 0.00 C ATOM 1124 C ALA A 74 -4.871 9.189 -3.312 1.00 0.00 C ATOM 1125 O ALA A 74 -5.984 9.640 -3.128 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.873 10.630 -3.724 1.00 0.00 C ATOM 0 H ALA A 74 -1.841 8.687 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.963 10.494 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.522 11.401 -4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.002 11.097 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.547 9.962 -4.521 1.00 0.00 H new ATOM 1132 N PHE A 75 -4.682 8.143 -4.064 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.846 7.480 -4.715 1.00 0.00 C ATOM 1134 C PHE A 75 -6.791 6.933 -3.645 1.00 0.00 C ATOM 1135 O PHE A 75 -7.992 7.097 -3.722 1.00 0.00 O ATOM 1136 CB PHE A 75 -5.354 6.334 -5.596 1.00 0.00 C ATOM 1137 CG PHE A 75 -6.522 5.733 -6.340 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -6.949 6.297 -7.548 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -7.179 4.610 -5.821 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -8.032 5.739 -8.238 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -8.263 4.052 -6.510 1.00 0.00 C ATOM 1142 CZ PHE A 75 -8.689 4.617 -7.719 1.00 0.00 C ATOM 0 H PHE A 75 -3.775 7.718 -4.256 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.378 8.207 -5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.608 6.699 -6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.869 5.573 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.443 7.163 -7.948 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.849 4.174 -4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.360 6.174 -9.170 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.770 3.187 -6.110 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.525 4.187 -8.251 1.00 0.00 H new ATOM 1152 N VAL A 76 -6.260 6.281 -2.648 1.00 0.00 N ATOM 1153 CA VAL A 76 -7.123 5.723 -1.579 1.00 0.00 C ATOM 1154 C VAL A 76 -7.816 6.859 -0.823 1.00 0.00 C ATOM 1155 O VAL A 76 -8.990 6.789 -0.526 1.00 0.00 O ATOM 1156 CB VAL A 76 -6.259 4.916 -0.612 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -7.086 4.543 0.613 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.773 3.642 -1.306 1.00 0.00 C ATOM 0 H VAL A 76 -5.261 6.112 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.882 5.078 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.400 5.512 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.472 3.967 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.435 5.450 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.944 3.945 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.156 3.065 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.632 3.044 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.185 3.908 -2.184 1.00 0.00 H new ATOM 1168 N VAL A 77 -7.101 7.906 -0.509 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.721 9.037 0.228 1.00 0.00 C ATOM 1170 C VAL A 77 -8.857 9.637 -0.602 1.00 0.00 C ATOM 1171 O VAL A 77 -9.903 9.979 -0.087 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.658 10.105 0.481 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -7.330 11.376 0.986 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.666 9.604 1.532 1.00 0.00 C ATOM 0 H VAL A 77 -6.113 8.024 -0.733 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.123 8.679 1.176 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.127 10.314 -0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.574 12.140 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.037 11.736 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.861 11.163 1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.909 10.367 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.196 9.394 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.186 8.693 1.174 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.655 9.776 -1.881 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.713 10.364 -2.749 1.00 0.00 C ATOM 1186 C GLY A 78 -10.997 9.531 -2.671 1.00 0.00 C ATOM 1187 O GLY A 78 -12.087 10.055 -2.784 1.00 0.00 O ATOM 0 H GLY A 78 -7.799 9.507 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.918 11.389 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.363 10.407 -3.780 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.882 8.240 -2.497 1.00 0.00 N ATOM 1192 CA ALA A 79 -12.106 7.389 -2.436 1.00 0.00 C ATOM 1193 C ALA A 79 -12.406 6.977 -0.994 1.00 0.00 C ATOM 1194 O ALA A 79 -13.518 7.111 -0.523 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.890 6.134 -3.284 1.00 0.00 C ATOM 0 H ALA A 79 -9.998 7.741 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.950 7.962 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.782 5.509 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.696 6.422 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.037 5.576 -2.897 1.00 0.00 H new ATOM 1201 N THR A 80 -11.429 6.469 -0.295 1.00 0.00 N ATOM 1202 CA THR A 80 -11.663 6.037 1.115 1.00 0.00 C ATOM 1203 C THR A 80 -10.618 6.669 2.034 1.00 0.00 C ATOM 1204 O THR A 80 -9.449 6.731 1.713 1.00 0.00 O ATOM 1205 CB THR A 80 -11.559 4.515 1.201 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.450 3.926 0.265 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.921 4.056 2.614 1.00 0.00 C ATOM 0 H THR A 80 -10.478 6.334 -0.638 1.00 0.00 H new ATOM 0 HA THR A 80 -12.656 6.358 1.429 1.00 0.00 H new ATOM 0 HB THR A 80 -10.539 4.207 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.382 2.950 0.319 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.846 2.970 2.674 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.234 4.507 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.941 4.363 2.846 1.00 0.00 H new ATOM 1215 N THR A 81 -11.033 7.132 3.181 1.00 0.00 N ATOM 1216 CA THR A 81 -10.072 7.755 4.130 1.00 0.00 C ATOM 1217 C THR A 81 -10.240 7.111 5.513 1.00 0.00 C ATOM 1218 O THR A 81 -11.002 7.585 6.333 1.00 0.00 O ATOM 1219 CB THR A 81 -10.360 9.255 4.221 1.00 0.00 C ATOM 1220 OG1 THR A 81 -9.717 9.791 5.369 1.00 0.00 O ATOM 1221 CG2 THR A 81 -11.869 9.481 4.324 1.00 0.00 C ATOM 0 H THR A 81 -12.001 7.105 3.502 1.00 0.00 H new ATOM 0 HA THR A 81 -9.051 7.602 3.781 1.00 0.00 H new ATOM 0 HB THR A 81 -9.982 9.753 3.328 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.900 10.752 5.427 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.073 10.550 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 81 -12.359 9.071 3.441 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.251 8.984 5.215 1.00 0.00 H new