USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 23 MET CE :methyl 146:sc= -0.263 (180deg=-1.27) USER MOD Set 1.2: A 71 HIS : no HD1:sc= -0.473 X(o=-0.74,f=-0.32) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 34 CYS SG : rot -48:sc= -3.74! USER MOD Single : A 35 SER OG : rot 180:sc=-0.00339 USER MOD Single : A 41 SER OG : rot -116:sc= 1.21 USER MOD Single : A 43 HIS : no HD1:sc= -0.0926 X(o=-0.093,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -150:sc= -0.391 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0913 X(o=-0.091,f=-0.4) USER MOD Single : A 88 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.500 -0.637 0.260 1.00 0.00 N ATOM 2 CA MET A 23 -3.490 0.091 1.010 1.00 0.00 C ATOM 3 C MET A 23 -2.518 0.804 0.069 1.00 0.00 C ATOM 4 O MET A 23 -1.326 0.900 0.358 1.00 0.00 O ATOM 5 CB MET A 23 -2.717 -0.882 1.902 1.00 0.00 C ATOM 6 CG MET A 23 -2.787 -0.454 3.369 1.00 0.00 C ATOM 7 SD MET A 23 -3.784 -1.608 4.296 1.00 0.00 S ATOM 8 CE MET A 23 -2.820 -3.094 4.080 1.00 0.00 C ATOM 0 HA MET A 23 -3.989 0.841 1.623 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.127 -1.886 1.792 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.676 -0.926 1.582 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.783 -0.408 3.791 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.211 0.547 3.444 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.890 -3.707 4.979 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.203 -3.655 3.227 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.778 -2.829 3.902 1.00 0.00 H new ATOM 18 N SER A 24 -3.062 1.286 -1.039 1.00 0.00 N ATOM 19 CA SER A 24 -2.257 1.988 -2.024 1.00 0.00 C ATOM 20 C SER A 24 -1.971 3.414 -1.547 1.00 0.00 C ATOM 21 O SER A 24 -2.838 4.063 -0.965 1.00 0.00 O ATOM 22 CB SER A 24 -2.953 2.014 -3.386 1.00 0.00 C ATOM 23 OG SER A 24 -4.002 2.978 -3.432 1.00 0.00 O ATOM 0 H SER A 24 -4.051 1.204 -1.276 1.00 0.00 H new ATOM 0 HA SER A 24 -1.314 1.454 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.221 2.237 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.359 1.026 -3.605 1.00 0.00 H new ATOM 0 HG SER A 24 -4.420 2.965 -4.318 1.00 0.00 H new ATOM 29 N ILE A 25 -0.751 3.858 -1.812 1.00 0.00 N ATOM 30 CA ILE A 25 -0.340 5.195 -1.417 1.00 0.00 C ATOM 31 C ILE A 25 -0.525 6.151 -2.597 1.00 0.00 C ATOM 32 O ILE A 25 -0.265 5.786 -3.742 1.00 0.00 O ATOM 33 CB ILE A 25 1.085 5.174 -0.860 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.114 5.086 -1.989 1.00 0.00 C ATOM 35 CG2 ILE A 25 1.258 4.049 0.163 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.446 6.474 -2.538 1.00 0.00 C ATOM 0 H ILE A 25 -0.034 3.316 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.969 5.563 -0.607 1.00 0.00 H new ATOM 0 HB ILE A 25 1.261 6.114 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.023 4.610 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.727 4.457 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.280 4.057 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.563 4.198 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.055 3.090 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.180 6.383 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.540 6.938 -2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.856 7.093 -1.740 1.00 0.00 H new ATOM 48 N GLU A 26 -0.973 7.356 -2.277 1.00 0.00 N ATOM 49 CA GLU A 26 -1.196 8.367 -3.296 1.00 0.00 C ATOM 50 C GLU A 26 -0.162 9.487 -3.168 1.00 0.00 C ATOM 51 O GLU A 26 0.495 9.615 -2.136 1.00 0.00 O ATOM 52 CB GLU A 26 -2.619 8.922 -3.215 1.00 0.00 C ATOM 53 CG GLU A 26 -3.183 9.191 -4.612 1.00 0.00 C ATOM 54 CD GLU A 26 -3.095 7.941 -5.489 1.00 0.00 C ATOM 55 OE1 GLU A 26 -2.121 7.862 -6.269 1.00 0.00 O ATOM 56 OE2 GLU A 26 -4.003 7.092 -5.360 1.00 0.00 O ATOM 0 H GLU A 26 -1.188 7.655 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.078 7.901 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.260 8.214 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.621 9.844 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.222 9.512 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.632 10.007 -5.080 1.00 0.00 H new ATOM 63 N ILE A 27 -0.050 10.269 -4.232 1.00 0.00 N ATOM 64 CA ILE A 27 0.894 11.374 -4.251 1.00 0.00 C ATOM 65 C ILE A 27 0.220 12.603 -4.864 1.00 0.00 C ATOM 66 O ILE A 27 -0.426 12.506 -5.906 1.00 0.00 O ATOM 67 CB ILE A 27 2.186 10.964 -4.960 1.00 0.00 C ATOM 68 CG1 ILE A 27 2.998 9.993 -4.100 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.003 12.192 -5.365 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.359 10.623 -2.754 1.00 0.00 C ATOM 0 H ILE A 27 -0.597 10.160 -5.086 1.00 0.00 H new ATOM 0 HA ILE A 27 1.187 11.642 -3.236 1.00 0.00 H new ATOM 0 HB ILE A 27 1.921 10.438 -5.877 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.425 9.080 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.908 9.708 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.916 11.872 -5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.416 12.813 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.260 12.767 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.936 9.912 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.952 11.522 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.446 10.885 -2.218 1.00 0.00 H new ATOM 82 N ASP A 28 0.394 13.732 -4.192 1.00 0.00 N ATOM 83 CA ASP A 28 -0.189 14.978 -4.657 1.00 0.00 C ATOM 84 C ASP A 28 0.925 15.999 -4.898 1.00 0.00 C ATOM 85 O ASP A 28 1.276 16.762 -4.000 1.00 0.00 O ATOM 86 CB ASP A 28 -1.148 15.561 -3.617 1.00 0.00 C ATOM 87 CG ASP A 28 -2.614 15.618 -4.049 1.00 0.00 C ATOM 88 OD1 ASP A 28 -3.443 16.004 -3.196 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.874 15.276 -5.223 1.00 0.00 O ATOM 0 H ASP A 28 0.931 13.809 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.737 14.771 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.076 14.967 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.819 16.570 -3.367 1.00 0.00 H new ATOM 94 N SER A 29 1.449 15.980 -6.114 1.00 0.00 N ATOM 95 CA SER A 29 2.516 16.894 -6.484 1.00 0.00 C ATOM 96 C SER A 29 1.957 18.308 -6.658 1.00 0.00 C ATOM 97 O SER A 29 2.569 19.279 -6.217 1.00 0.00 O ATOM 98 CB SER A 29 3.213 16.437 -7.767 1.00 0.00 C ATOM 99 OG SER A 29 4.594 16.789 -7.779 1.00 0.00 O ATOM 0 H SER A 29 1.154 15.346 -6.856 1.00 0.00 H new ATOM 0 HA SER A 29 3.255 16.898 -5.683 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.113 15.356 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.717 16.885 -8.628 1.00 0.00 H new ATOM 0 HG SER A 29 5.004 16.478 -8.613 1.00 0.00 H new ATOM 105 N GLU A 30 0.801 18.377 -7.301 1.00 0.00 N ATOM 106 CA GLU A 30 0.153 19.656 -7.539 1.00 0.00 C ATOM 107 C GLU A 30 0.096 20.471 -6.245 1.00 0.00 C ATOM 108 O GLU A 30 0.498 21.633 -6.222 1.00 0.00 O ATOM 109 CB GLU A 30 -1.247 19.460 -8.125 1.00 0.00 C ATOM 110 CG GLU A 30 -1.317 19.978 -9.563 1.00 0.00 C ATOM 111 CD GLU A 30 -2.732 19.839 -10.128 1.00 0.00 C ATOM 112 OE1 GLU A 30 -3.098 18.692 -10.463 1.00 0.00 O ATOM 113 OE2 GLU A 30 -3.415 20.882 -10.212 1.00 0.00 O ATOM 0 H GLU A 30 0.296 17.569 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 30 0.743 20.210 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.510 18.402 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.979 19.983 -7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.011 21.024 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.616 19.424 -10.187 1.00 0.00 H new ATOM 120 N GLN A 31 -0.405 19.829 -5.200 1.00 0.00 N ATOM 121 CA GLN A 31 -0.519 20.480 -3.906 1.00 0.00 C ATOM 122 C GLN A 31 0.753 20.256 -3.085 1.00 0.00 C ATOM 123 O GLN A 31 1.060 21.035 -2.185 1.00 0.00 O ATOM 124 CB GLN A 31 -1.754 19.986 -3.151 1.00 0.00 C ATOM 125 CG GLN A 31 -2.926 20.954 -3.322 1.00 0.00 C ATOM 126 CD GLN A 31 -3.163 21.759 -2.043 1.00 0.00 C ATOM 127 OE1 GLN A 31 -2.242 22.188 -1.369 1.00 0.00 O ATOM 128 NE2 GLN A 31 -4.448 21.941 -1.749 1.00 0.00 N ATOM 0 H GLN A 31 -0.737 18.865 -5.223 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.638 21.551 -4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.037 18.999 -3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.518 19.878 -2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.724 21.632 -4.151 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.828 20.398 -3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.170 21.554 -2.357 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.711 22.467 -0.916 1.00 0.00 H new ATOM 137 N GLY A 32 1.457 19.186 -3.425 1.00 0.00 N ATOM 138 CA GLY A 32 2.688 18.849 -2.731 1.00 0.00 C ATOM 139 C GLY A 32 2.394 18.177 -1.388 1.00 0.00 C ATOM 140 O GLY A 32 3.083 18.428 -0.400 1.00 0.00 O ATOM 0 H GLY A 32 1.198 18.541 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.289 18.183 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.277 19.752 -2.569 1.00 0.00 H new ATOM 144 N VAL A 33 1.370 17.336 -1.395 1.00 0.00 N ATOM 145 CA VAL A 33 0.976 16.627 -0.190 1.00 0.00 C ATOM 146 C VAL A 33 0.930 15.125 -0.480 1.00 0.00 C ATOM 147 O VAL A 33 0.920 14.713 -1.639 1.00 0.00 O ATOM 148 CB VAL A 33 -0.353 17.177 0.331 1.00 0.00 C ATOM 149 CG1 VAL A 33 -1.096 16.124 1.156 1.00 0.00 C ATOM 150 CG2 VAL A 33 -0.137 18.457 1.141 1.00 0.00 C ATOM 0 H VAL A 33 0.801 17.130 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 33 1.709 16.783 0.602 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.973 17.427 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.037 16.540 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.298 15.251 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.482 15.829 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.097 18.827 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.510 18.244 1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.330 19.213 0.510 1.00 0.00 H new ATOM 160 N CYS A 34 0.902 14.348 0.593 1.00 0.00 N ATOM 161 CA CYS A 34 0.856 12.901 0.468 1.00 0.00 C ATOM 162 C CYS A 34 -0.461 12.408 1.070 1.00 0.00 C ATOM 163 O CYS A 34 -0.924 12.939 2.079 1.00 0.00 O ATOM 164 CB CYS A 34 2.068 12.238 1.127 1.00 0.00 C ATOM 165 SG CYS A 34 2.435 13.051 2.725 1.00 0.00 S ATOM 0 H CYS A 34 0.910 14.693 1.553 1.00 0.00 H new ATOM 0 HA CYS A 34 0.899 12.623 -0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.871 11.178 1.286 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.933 12.306 0.468 1.00 0.00 H new ATOM 0 HG CYS A 34 2.437 14.341 2.565 1.00 0.00 H new ATOM 171 N SER A 35 -1.028 11.399 0.426 1.00 0.00 N ATOM 172 CA SER A 35 -2.283 10.829 0.885 1.00 0.00 C ATOM 173 C SER A 35 -2.341 9.340 0.535 1.00 0.00 C ATOM 174 O SER A 35 -2.278 8.972 -0.637 1.00 0.00 O ATOM 175 CB SER A 35 -3.478 11.564 0.275 1.00 0.00 C ATOM 176 OG SER A 35 -3.453 12.958 0.568 1.00 0.00 O ATOM 0 H SER A 35 -0.641 10.961 -0.410 1.00 0.00 H new ATOM 0 HA SER A 35 -2.334 10.944 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.479 11.421 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.403 11.130 0.655 1.00 0.00 H new ATOM 0 HG SER A 35 -4.231 13.392 0.160 1.00 0.00 H new ATOM 182 N VAL A 36 -2.459 8.525 1.573 1.00 0.00 N ATOM 183 CA VAL A 36 -2.526 7.085 1.390 1.00 0.00 C ATOM 184 C VAL A 36 -3.988 6.638 1.424 1.00 0.00 C ATOM 185 O VAL A 36 -4.817 7.265 2.082 1.00 0.00 O ATOM 186 CB VAL A 36 -1.661 6.384 2.440 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.158 6.691 3.854 1.00 0.00 C ATOM 188 CG2 VAL A 36 -1.614 4.875 2.191 1.00 0.00 C ATOM 0 H VAL A 36 -2.510 8.834 2.544 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.124 6.804 0.417 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.646 6.771 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.526 6.181 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.117 7.766 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.186 6.345 3.961 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.993 4.400 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.623 4.467 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.192 4.682 1.205 1.00 0.00 H new ATOM 198 N GLU A 37 -4.261 5.558 0.707 1.00 0.00 N ATOM 199 CA GLU A 37 -5.609 5.020 0.647 1.00 0.00 C ATOM 200 C GLU A 37 -5.706 3.736 1.475 1.00 0.00 C ATOM 201 O GLU A 37 -4.894 2.826 1.312 1.00 0.00 O ATOM 202 CB GLU A 37 -6.037 4.772 -0.801 1.00 0.00 C ATOM 203 CG GLU A 37 -6.302 6.092 -1.527 1.00 0.00 C ATOM 204 CD GLU A 37 -5.734 6.060 -2.948 1.00 0.00 C ATOM 205 OE1 GLU A 37 -6.550 6.177 -3.887 1.00 0.00 O ATOM 206 OE2 GLU A 37 -4.498 5.919 -3.061 1.00 0.00 O ATOM 0 H GLU A 37 -3.571 5.041 0.162 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.292 5.756 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.259 4.215 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.936 4.156 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.375 6.282 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.852 6.914 -0.970 1.00 0.00 H new ATOM 213 N ILE A 38 -6.704 3.704 2.344 1.00 0.00 N ATOM 214 CA ILE A 38 -6.917 2.548 3.197 1.00 0.00 C ATOM 215 C ILE A 38 -8.395 2.473 3.589 1.00 0.00 C ATOM 216 O ILE A 38 -8.789 2.979 4.638 1.00 0.00 O ATOM 217 CB ILE A 38 -5.965 2.582 4.395 1.00 0.00 C ATOM 218 CG1 ILE A 38 -4.837 3.591 4.169 1.00 0.00 C ATOM 219 CG2 ILE A 38 -5.430 1.184 4.710 1.00 0.00 C ATOM 220 CD1 ILE A 38 -3.982 3.747 5.428 1.00 0.00 C ATOM 0 H ILE A 38 -7.375 4.461 2.476 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.682 1.630 2.658 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.525 2.916 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.212 3.263 3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.258 4.557 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.756 1.236 5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.262 0.520 4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.890 0.798 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.188 4.469 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.606 4.098 6.250 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.543 2.785 5.691 1.00 0.00 H new ATOM 232 N GLU A 39 -9.172 1.837 2.724 1.00 0.00 N ATOM 233 CA GLU A 39 -10.597 1.690 2.966 1.00 0.00 C ATOM 234 C GLU A 39 -11.132 2.898 3.737 1.00 0.00 C ATOM 235 O GLU A 39 -11.498 2.780 4.905 1.00 0.00 O ATOM 236 CB GLU A 39 -10.894 0.387 3.711 1.00 0.00 C ATOM 237 CG GLU A 39 -9.885 0.157 4.837 1.00 0.00 C ATOM 238 CD GLU A 39 -10.428 -0.838 5.865 1.00 0.00 C ATOM 239 OE1 GLU A 39 -9.597 -1.586 6.424 1.00 0.00 O ATOM 240 OE2 GLU A 39 -11.661 -0.827 6.069 1.00 0.00 O ATOM 0 H GLU A 39 -8.841 1.418 1.855 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.107 1.644 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.903 0.421 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.863 -0.450 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.950 -0.218 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.659 1.104 5.327 1.00 0.00 H new ATOM 247 N GLY A 40 -11.160 4.032 3.053 1.00 0.00 N ATOM 248 CA GLY A 40 -11.644 5.260 3.659 1.00 0.00 C ATOM 249 C GLY A 40 -10.528 5.969 4.429 1.00 0.00 C ATOM 250 O GLY A 40 -10.602 6.110 5.648 1.00 0.00 O ATOM 0 H GLY A 40 -10.855 4.126 2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.034 5.922 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.470 5.036 4.334 1.00 0.00 H new ATOM 254 N SER A 41 -9.519 6.396 3.684 1.00 0.00 N ATOM 255 CA SER A 41 -8.388 7.087 4.280 1.00 0.00 C ATOM 256 C SER A 41 -8.343 8.536 3.792 1.00 0.00 C ATOM 257 O SER A 41 -8.303 8.789 2.589 1.00 0.00 O ATOM 258 CB SER A 41 -7.073 6.376 3.954 1.00 0.00 C ATOM 259 OG SER A 41 -5.948 7.055 4.505 1.00 0.00 O ATOM 0 H SER A 41 -9.461 6.277 2.673 1.00 0.00 H new ATOM 0 HA SER A 41 -8.515 7.079 5.363 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.106 5.357 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.959 6.303 2.872 1.00 0.00 H new ATOM 0 HG SER A 41 -5.369 7.371 3.780 1.00 0.00 H new ATOM 265 N ARG A 42 -8.352 9.451 4.751 1.00 0.00 N ATOM 266 CA ARG A 42 -8.313 10.868 4.433 1.00 0.00 C ATOM 267 C ARG A 42 -7.130 11.537 5.136 1.00 0.00 C ATOM 268 O ARG A 42 -7.285 12.591 5.751 1.00 0.00 O ATOM 269 CB ARG A 42 -9.609 11.563 4.856 1.00 0.00 C ATOM 270 CG ARG A 42 -10.714 11.340 3.822 1.00 0.00 C ATOM 271 CD ARG A 42 -10.911 12.583 2.953 1.00 0.00 C ATOM 272 NE ARG A 42 -10.466 12.308 1.568 1.00 0.00 N ATOM 273 CZ ARG A 42 -11.207 11.666 0.655 1.00 0.00 C ATOM 274 NH1 ARG A 42 -12.433 11.229 0.973 1.00 0.00 N ATOM 275 NH2 ARG A 42 -10.721 11.461 -0.578 1.00 0.00 N ATOM 0 H ARG A 42 -8.386 9.238 5.748 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.199 10.963 3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.931 11.182 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.430 12.631 4.977 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.460 10.488 3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.647 11.095 4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.961 12.876 2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.346 13.419 3.366 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.537 12.627 1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.803 11.385 1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.997 10.740 0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.788 11.794 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.285 10.972 -1.274 1.00 0.00 H new ATOM 289 N HIS A 43 -5.976 10.897 5.022 1.00 0.00 N ATOM 290 CA HIS A 43 -4.768 11.417 5.639 1.00 0.00 C ATOM 291 C HIS A 43 -4.334 12.696 4.920 1.00 0.00 C ATOM 292 O HIS A 43 -5.007 13.153 3.997 1.00 0.00 O ATOM 293 CB HIS A 43 -3.670 10.352 5.667 1.00 0.00 C ATOM 294 CG HIS A 43 -3.289 9.899 7.057 1.00 0.00 C ATOM 295 ND1 HIS A 43 -4.159 9.215 7.887 1.00 0.00 N ATOM 296 CD2 HIS A 43 -2.124 10.039 7.751 1.00 0.00 C ATOM 297 CE1 HIS A 43 -3.535 8.960 9.028 1.00 0.00 C ATOM 298 NE2 HIS A 43 -2.274 9.472 8.942 1.00 0.00 N ATOM 0 H HIS A 43 -5.852 10.023 4.511 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.969 11.676 6.679 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.002 9.487 5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.784 10.745 5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.230 10.528 7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.952 8.438 9.877 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -1.563 9.427 9.672 1.00 0.00 H new ATOM 306 N ARG A 44 -3.212 13.239 5.371 1.00 0.00 N ATOM 307 CA ARG A 44 -2.680 14.456 4.782 1.00 0.00 C ATOM 308 C ARG A 44 -1.428 14.908 5.537 1.00 0.00 C ATOM 309 O ARG A 44 -1.452 15.046 6.759 1.00 0.00 O ATOM 310 CB ARG A 44 -3.718 15.580 4.811 1.00 0.00 C ATOM 311 CG ARG A 44 -3.910 16.184 3.418 1.00 0.00 C ATOM 312 CD ARG A 44 -5.297 16.815 3.281 1.00 0.00 C ATOM 313 NE ARG A 44 -5.169 18.262 2.997 1.00 0.00 N ATOM 314 CZ ARG A 44 -6.153 19.019 2.495 1.00 0.00 C ATOM 315 NH1 ARG A 44 -7.344 18.472 2.217 1.00 0.00 N ATOM 316 NH2 ARG A 44 -5.947 20.324 2.270 1.00 0.00 N ATOM 0 H ARG A 44 -2.657 12.858 6.137 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.424 14.239 3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.669 15.193 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.400 16.356 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.144 16.938 3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.782 15.410 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.850 16.326 2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.866 16.665 4.198 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.275 18.711 3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.501 17.479 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.093 19.049 1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.040 20.741 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.697 20.900 1.888 1.00 0.00 H new ATOM 330 N ALA A 45 -0.365 15.125 4.778 1.00 0.00 N ATOM 331 CA ALA A 45 0.894 15.558 5.360 1.00 0.00 C ATOM 332 C ALA A 45 1.864 15.940 4.240 1.00 0.00 C ATOM 333 O ALA A 45 1.591 15.693 3.066 1.00 0.00 O ATOM 334 CB ALA A 45 1.449 14.451 6.259 1.00 0.00 C ATOM 0 H ALA A 45 -0.349 15.009 3.765 1.00 0.00 H new ATOM 0 HA ALA A 45 0.745 16.440 5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.393 14.776 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.736 14.237 7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.614 13.550 5.668 1.00 0.00 H new ATOM 340 N PRO A 46 3.006 16.552 4.652 1.00 0.00 N ATOM 341 CA PRO A 46 4.018 16.970 3.697 1.00 0.00 C ATOM 342 C PRO A 46 4.809 15.769 3.175 1.00 0.00 C ATOM 343 O PRO A 46 5.341 14.984 3.958 1.00 0.00 O ATOM 344 CB PRO A 46 4.882 17.968 4.451 1.00 0.00 C ATOM 345 CG PRO A 46 4.610 17.724 5.927 1.00 0.00 C ATOM 346 CD PRO A 46 3.364 16.860 6.034 1.00 0.00 C ATOM 0 HA PRO A 46 3.591 17.427 2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.937 17.824 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.631 18.991 4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.460 17.228 6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.465 18.669 6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.560 15.952 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.558 17.389 6.543 1.00 0.00 H new ATOM 354 N VAL A 47 4.862 15.665 1.855 1.00 0.00 N ATOM 355 CA VAL A 47 5.579 14.573 1.219 1.00 0.00 C ATOM 356 C VAL A 47 7.081 14.751 1.451 1.00 0.00 C ATOM 357 O VAL A 47 7.847 13.796 1.340 1.00 0.00 O ATOM 358 CB VAL A 47 5.208 14.496 -0.263 1.00 0.00 C ATOM 359 CG1 VAL A 47 5.884 13.300 -0.937 1.00 0.00 C ATOM 360 CG2 VAL A 47 3.690 14.443 -0.446 1.00 0.00 C ATOM 0 H VAL A 47 4.420 16.319 1.209 1.00 0.00 H new ATOM 0 HA VAL A 47 5.292 13.619 1.662 1.00 0.00 H new ATOM 0 HB VAL A 47 5.572 15.402 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.603 13.269 -1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.966 13.399 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.565 12.379 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.453 14.389 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.293 13.563 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.241 15.340 -0.020 1.00 0.00 H new ATOM 370 N ASP A 48 7.456 15.982 1.768 1.00 0.00 N ATOM 371 CA ASP A 48 8.853 16.297 2.017 1.00 0.00 C ATOM 372 C ASP A 48 9.225 15.863 3.436 1.00 0.00 C ATOM 373 O ASP A 48 10.382 15.970 3.838 1.00 0.00 O ATOM 374 CB ASP A 48 9.106 17.802 1.901 1.00 0.00 C ATOM 375 CG ASP A 48 8.362 18.664 2.922 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.385 19.322 2.504 1.00 0.00 O ATOM 377 OD2 ASP A 48 8.786 18.645 4.098 1.00 0.00 O ATOM 0 H ASP A 48 6.818 16.772 1.858 1.00 0.00 H new ATOM 0 HA ASP A 48 9.455 15.771 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.176 17.984 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.823 18.126 0.900 1.00 0.00 H new ATOM 382 N SER A 49 8.221 15.384 4.156 1.00 0.00 N ATOM 383 CA SER A 49 8.428 14.933 5.522 1.00 0.00 C ATOM 384 C SER A 49 7.887 13.512 5.692 1.00 0.00 C ATOM 385 O SER A 49 7.133 13.239 6.624 1.00 0.00 O ATOM 386 CB SER A 49 7.759 15.879 6.521 1.00 0.00 C ATOM 387 OG SER A 49 8.316 15.756 7.827 1.00 0.00 O ATOM 0 H SER A 49 7.262 15.298 3.819 1.00 0.00 H new ATOM 0 HA SER A 49 9.499 14.933 5.724 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.868 16.907 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.690 15.668 6.561 1.00 0.00 H new ATOM 0 HG SER A 49 7.864 16.377 8.435 1.00 0.00 H new ATOM 393 N LEU A 50 8.294 12.645 4.776 1.00 0.00 N ATOM 394 CA LEU A 50 7.859 11.259 4.813 1.00 0.00 C ATOM 395 C LEU A 50 9.049 10.365 5.170 1.00 0.00 C ATOM 396 O LEU A 50 10.173 10.846 5.301 1.00 0.00 O ATOM 397 CB LEU A 50 7.175 10.877 3.499 1.00 0.00 C ATOM 398 CG LEU A 50 5.827 11.546 3.225 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.306 11.181 1.834 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.815 11.211 4.322 1.00 0.00 C ATOM 0 H LEU A 50 8.920 12.875 4.004 1.00 0.00 H new ATOM 0 HA LEU A 50 7.108 11.116 5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.851 11.117 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.031 9.797 3.488 1.00 0.00 H new ATOM 0 HG LEU A 50 5.973 12.626 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.347 11.670 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.020 11.512 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.180 10.101 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.866 11.699 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.667 10.132 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.190 11.563 5.283 1.00 0.00 H new ATOM 412 N ARG A 51 8.760 9.081 5.316 1.00 0.00 N ATOM 413 CA ARG A 51 9.792 8.116 5.655 1.00 0.00 C ATOM 414 C ARG A 51 9.324 6.698 5.318 1.00 0.00 C ATOM 415 O ARG A 51 8.180 6.337 5.588 1.00 0.00 O ATOM 416 CB ARG A 51 10.147 8.188 7.142 1.00 0.00 C ATOM 417 CG ARG A 51 11.187 7.128 7.509 1.00 0.00 C ATOM 418 CD ARG A 51 12.595 7.585 7.121 1.00 0.00 C ATOM 419 NE ARG A 51 13.567 7.164 8.155 1.00 0.00 N ATOM 420 CZ ARG A 51 13.681 7.743 9.359 1.00 0.00 C ATOM 421 NH1 ARG A 51 12.884 8.769 9.686 1.00 0.00 N ATOM 422 NH2 ARG A 51 14.591 7.295 10.234 1.00 0.00 N ATOM 0 H ARG A 51 7.826 8.686 5.206 1.00 0.00 H new ATOM 0 HA ARG A 51 10.678 8.359 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.533 9.179 7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.248 8.044 7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.147 6.930 8.580 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.952 6.192 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.871 7.160 6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.617 8.669 7.010 1.00 0.00 H new ATOM 0 HE ARG A 51 14.189 6.385 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.191 9.109 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.970 9.210 10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.197 6.514 9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.678 7.735 11.150 1.00 0.00 H new ATOM 436 N ILE A 52 10.234 5.933 4.732 1.00 0.00 N ATOM 437 CA ILE A 52 9.929 4.564 4.355 1.00 0.00 C ATOM 438 C ILE A 52 10.725 3.606 5.243 1.00 0.00 C ATOM 439 O ILE A 52 11.861 3.897 5.614 1.00 0.00 O ATOM 440 CB ILE A 52 10.166 4.355 2.858 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.121 5.102 2.027 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.214 2.865 2.513 1.00 0.00 C ATOM 443 CD1 ILE A 52 8.999 4.498 0.627 1.00 0.00 C ATOM 0 H ILE A 52 11.182 6.236 4.509 1.00 0.00 H new ATOM 0 HA ILE A 52 8.873 4.350 4.520 1.00 0.00 H new ATOM 0 HB ILE A 52 11.139 4.776 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.155 5.061 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.396 6.154 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.384 2.745 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.025 2.390 3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.268 2.398 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.250 5.048 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.961 4.562 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.700 3.453 0.706 1.00 0.00 H new ATOM 455 N GLY A 53 10.098 2.482 5.558 1.00 0.00 N ATOM 456 CA GLY A 53 10.733 1.480 6.396 1.00 0.00 C ATOM 457 C GLY A 53 10.460 0.070 5.867 1.00 0.00 C ATOM 458 O GLY A 53 9.769 -0.097 4.863 1.00 0.00 O ATOM 0 H GLY A 53 9.156 2.243 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.808 1.658 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.363 1.567 7.417 1.00 0.00 H new ATOM 462 N THR A 54 11.016 -0.908 6.567 1.00 0.00 N ATOM 463 CA THR A 54 10.841 -2.298 6.181 1.00 0.00 C ATOM 464 C THR A 54 10.715 -3.184 7.422 1.00 0.00 C ATOM 465 O THR A 54 11.388 -2.953 8.425 1.00 0.00 O ATOM 466 CB THR A 54 12.008 -2.687 5.272 1.00 0.00 C ATOM 467 OG1 THR A 54 11.736 -2.008 4.049 1.00 0.00 O ATOM 468 CG2 THR A 54 11.984 -4.168 4.890 1.00 0.00 C ATOM 0 H THR A 54 11.588 -0.765 7.399 1.00 0.00 H new ATOM 0 HA THR A 54 9.915 -2.440 5.623 1.00 0.00 H new ATOM 0 HB THR A 54 12.949 -2.457 5.771 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.104 -2.522 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.833 -4.391 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.044 -4.777 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.058 -4.392 4.361 1.00 0.00 H new ATOM 476 N ASP A 55 9.848 -4.180 7.313 1.00 0.00 N ATOM 477 CA ASP A 55 9.626 -5.103 8.413 1.00 0.00 C ATOM 478 C ASP A 55 10.518 -6.333 8.230 1.00 0.00 C ATOM 479 O ASP A 55 10.309 -7.124 7.312 1.00 0.00 O ATOM 480 CB ASP A 55 8.171 -5.575 8.451 1.00 0.00 C ATOM 481 CG ASP A 55 7.448 -5.338 9.778 1.00 0.00 C ATOM 482 OD1 ASP A 55 6.253 -4.979 9.717 1.00 0.00 O ATOM 483 OD2 ASP A 55 8.108 -5.521 10.824 1.00 0.00 O ATOM 0 H ASP A 55 9.291 -4.368 6.480 1.00 0.00 H new ATOM 0 HA ASP A 55 9.861 -4.583 9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.620 -5.068 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.145 -6.641 8.226 1.00 0.00 H new ATOM 488 N ALA A 56 11.492 -6.455 9.120 1.00 0.00 N ATOM 489 CA ALA A 56 12.417 -7.575 9.068 1.00 0.00 C ATOM 490 C ALA A 56 11.686 -8.853 9.486 1.00 0.00 C ATOM 491 O ALA A 56 12.237 -9.948 9.384 1.00 0.00 O ATOM 492 CB ALA A 56 13.628 -7.279 9.955 1.00 0.00 C ATOM 0 H ALA A 56 11.661 -5.797 9.881 1.00 0.00 H new ATOM 0 HA ALA A 56 12.785 -7.722 8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.322 -8.119 9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.128 -6.378 9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.298 -7.128 10.983 1.00 0.00 H new ATOM 498 N GLU A 57 10.458 -8.670 9.946 1.00 0.00 N ATOM 499 CA GLU A 57 9.646 -9.795 10.380 1.00 0.00 C ATOM 500 C GLU A 57 9.155 -10.592 9.170 1.00 0.00 C ATOM 501 O GLU A 57 9.040 -11.816 9.233 1.00 0.00 O ATOM 502 CB GLU A 57 8.472 -9.325 11.240 1.00 0.00 C ATOM 503 CG GLU A 57 8.930 -9.004 12.664 1.00 0.00 C ATOM 504 CD GLU A 57 8.545 -10.126 13.630 1.00 0.00 C ATOM 505 OE1 GLU A 57 9.336 -11.089 13.725 1.00 0.00 O ATOM 506 OE2 GLU A 57 7.468 -9.996 14.252 1.00 0.00 O ATOM 0 H GLU A 57 10.005 -7.760 10.028 1.00 0.00 H new ATOM 0 HA GLU A 57 10.264 -10.449 10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.019 -8.441 10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.704 -10.098 11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.011 -8.861 12.679 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.480 -8.067 12.992 1.00 0.00 H new ATOM 513 N ALA A 58 8.878 -9.867 8.096 1.00 0.00 N ATOM 514 CA ALA A 58 8.401 -10.492 6.874 1.00 0.00 C ATOM 515 C ALA A 58 9.175 -9.925 5.682 1.00 0.00 C ATOM 516 O ALA A 58 8.783 -10.122 4.533 1.00 0.00 O ATOM 517 CB ALA A 58 6.892 -10.276 6.745 1.00 0.00 C ATOM 0 H ALA A 58 8.975 -8.853 8.047 1.00 0.00 H new ATOM 0 HA ALA A 58 8.575 -11.568 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.534 -10.745 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.386 -10.721 7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.679 -9.208 6.713 1.00 0.00 H new ATOM 523 N ARG A 59 10.260 -9.233 5.997 1.00 0.00 N ATOM 524 CA ARG A 59 11.093 -8.637 4.966 1.00 0.00 C ATOM 525 C ARG A 59 10.229 -7.869 3.964 1.00 0.00 C ATOM 526 O ARG A 59 10.415 -7.993 2.754 1.00 0.00 O ATOM 527 CB ARG A 59 11.897 -9.705 4.221 1.00 0.00 C ATOM 528 CG ARG A 59 12.576 -10.663 5.202 1.00 0.00 C ATOM 529 CD ARG A 59 13.843 -11.265 4.591 1.00 0.00 C ATOM 530 NE ARG A 59 13.542 -12.592 4.007 1.00 0.00 N ATOM 531 CZ ARG A 59 14.453 -13.558 3.828 1.00 0.00 C ATOM 532 NH1 ARG A 59 15.728 -13.352 4.186 1.00 0.00 N ATOM 533 NH2 ARG A 59 14.090 -14.730 3.291 1.00 0.00 N ATOM 0 H ARG A 59 10.582 -9.072 6.951 1.00 0.00 H new ATOM 0 HA ARG A 59 11.786 -7.952 5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.238 -10.265 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.650 -9.227 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.827 -10.132 6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.885 -11.461 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.237 -10.601 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.615 -11.361 5.355 1.00 0.00 H new ATOM 0 HE ARG A 59 12.581 -12.783 3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.005 -12.460 4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.421 -14.088 4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.120 -14.887 3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.784 -15.465 3.155 1.00 0.00 H new ATOM 547 N LEU A 60 9.302 -7.092 4.505 1.00 0.00 N ATOM 548 CA LEU A 60 8.408 -6.303 3.674 1.00 0.00 C ATOM 549 C LEU A 60 8.695 -4.816 3.892 1.00 0.00 C ATOM 550 O LEU A 60 9.332 -4.441 4.875 1.00 0.00 O ATOM 551 CB LEU A 60 6.952 -6.693 3.933 1.00 0.00 C ATOM 552 CG LEU A 60 6.571 -8.133 3.582 1.00 0.00 C ATOM 553 CD1 LEU A 60 5.053 -8.284 3.459 1.00 0.00 C ATOM 554 CD2 LEU A 60 7.297 -8.601 2.320 1.00 0.00 C ATOM 0 H LEU A 60 9.151 -6.992 5.509 1.00 0.00 H new ATOM 0 HA LEU A 60 8.586 -6.511 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.734 -6.527 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.310 -6.020 3.366 1.00 0.00 H new ATOM 0 HG LEU A 60 6.894 -8.780 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.809 -9.317 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.583 -8.019 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.684 -7.624 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.008 -9.627 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.027 -7.955 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.374 -8.555 2.481 1.00 0.00 H new ATOM 566 N SER A 61 8.210 -4.009 2.960 1.00 0.00 N ATOM 567 CA SER A 61 8.406 -2.572 3.038 1.00 0.00 C ATOM 568 C SER A 61 7.179 -1.910 3.670 1.00 0.00 C ATOM 569 O SER A 61 6.058 -2.386 3.502 1.00 0.00 O ATOM 570 CB SER A 61 8.677 -1.977 1.655 1.00 0.00 C ATOM 571 OG SER A 61 8.907 -2.985 0.675 1.00 0.00 O ATOM 0 H SER A 61 7.681 -4.324 2.146 1.00 0.00 H new ATOM 0 HA SER A 61 9.278 -2.379 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.828 -1.364 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.544 -1.318 1.707 1.00 0.00 H new ATOM 0 HG SER A 61 9.074 -2.564 -0.194 1.00 0.00 H new ATOM 577 N VAL A 62 7.434 -0.823 4.383 1.00 0.00 N ATOM 578 CA VAL A 62 6.365 -0.091 5.040 1.00 0.00 C ATOM 579 C VAL A 62 6.521 1.403 4.748 1.00 0.00 C ATOM 580 O VAL A 62 7.517 1.824 4.162 1.00 0.00 O ATOM 581 CB VAL A 62 6.356 -0.410 6.536 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.671 -1.752 6.807 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.774 -0.393 7.110 1.00 0.00 C ATOM 0 H VAL A 62 8.366 -0.431 4.520 1.00 0.00 H new ATOM 0 HA VAL A 62 5.395 -0.399 4.650 1.00 0.00 H new ATOM 0 HB VAL A 62 5.782 0.367 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.678 -1.955 7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.641 -1.713 6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.205 -2.545 6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.738 -0.623 8.175 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.383 -1.138 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.213 0.594 6.967 1.00 0.00 H new ATOM 593 N LEU A 63 5.521 2.163 5.171 1.00 0.00 N ATOM 594 CA LEU A 63 5.535 3.601 4.962 1.00 0.00 C ATOM 595 C LEU A 63 5.124 4.304 6.257 1.00 0.00 C ATOM 596 O LEU A 63 4.259 3.817 6.985 1.00 0.00 O ATOM 597 CB LEU A 63 4.669 3.976 3.758 1.00 0.00 C ATOM 598 CG LEU A 63 4.142 5.412 3.731 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.045 5.613 4.778 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.283 6.417 3.896 1.00 0.00 C ATOM 0 H LEU A 63 4.697 1.810 5.657 1.00 0.00 H new ATOM 0 HA LEU A 63 6.542 3.941 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.250 3.806 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.817 3.297 3.723 1.00 0.00 H new ATOM 0 HG LEU A 63 3.692 5.593 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.688 6.642 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.218 4.933 4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.447 5.407 5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.882 7.430 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.783 6.246 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.998 6.292 3.083 1.00 0.00 H new ATOM 612 N TYR A 64 5.763 5.437 6.506 1.00 0.00 N ATOM 613 CA TYR A 64 5.474 6.212 7.701 1.00 0.00 C ATOM 614 C TYR A 64 4.960 7.607 7.340 1.00 0.00 C ATOM 615 O TYR A 64 5.619 8.345 6.610 1.00 0.00 O ATOM 616 CB TYR A 64 6.804 6.349 8.446 1.00 0.00 C ATOM 617 CG TYR A 64 7.087 5.211 9.429 1.00 0.00 C ATOM 618 CD1 TYR A 64 6.692 5.322 10.746 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.736 4.072 8.997 1.00 0.00 C ATOM 620 CE1 TYR A 64 6.958 4.251 11.671 1.00 0.00 C ATOM 621 CE2 TYR A 64 8.003 3.001 9.921 1.00 0.00 C ATOM 622 CZ TYR A 64 7.600 3.143 11.213 1.00 0.00 C ATOM 623 OH TYR A 64 7.852 2.131 12.086 1.00 0.00 O ATOM 0 H TYR A 64 6.480 5.837 5.901 1.00 0.00 H new ATOM 0 HA TYR A 64 4.707 5.721 8.300 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.614 6.396 7.718 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.809 7.294 8.989 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.183 6.213 11.084 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.044 3.984 7.965 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.655 4.326 12.705 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.512 2.105 9.596 1.00 0.00 H new ATOM 0 HH TYR A 64 8.315 1.404 11.619 1.00 0.00 H new ATOM 633 N ILE A 65 3.787 7.925 7.867 1.00 0.00 N ATOM 634 CA ILE A 65 3.177 9.219 7.609 1.00 0.00 C ATOM 635 C ILE A 65 2.750 9.850 8.936 1.00 0.00 C ATOM 636 O ILE A 65 2.004 9.245 9.704 1.00 0.00 O ATOM 637 CB ILE A 65 2.036 9.081 6.599 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.392 10.438 6.310 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.010 8.048 7.069 1.00 0.00 C ATOM 640 CD1 ILE A 65 0.488 10.365 5.078 1.00 0.00 C ATOM 0 H ILE A 65 3.243 7.310 8.471 1.00 0.00 H new ATOM 0 HA ILE A 65 3.898 9.896 7.151 1.00 0.00 H new ATOM 0 HB ILE A 65 2.453 8.717 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.810 10.760 7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.168 11.187 6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.210 7.969 6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.495 7.079 7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.593 8.359 8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.043 11.343 4.895 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.078 10.067 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.302 9.633 5.249 1.00 0.00 H new ATOM 652 N ASP A 66 3.243 11.059 9.164 1.00 0.00 N ATOM 653 CA ASP A 66 2.922 11.779 10.385 1.00 0.00 C ATOM 654 C ASP A 66 3.593 11.086 11.572 1.00 0.00 C ATOM 655 O ASP A 66 4.483 11.653 12.205 1.00 0.00 O ATOM 656 CB ASP A 66 1.413 11.792 10.636 1.00 0.00 C ATOM 657 CG ASP A 66 0.861 13.109 11.186 1.00 0.00 C ATOM 658 OD1 ASP A 66 0.563 13.992 10.353 1.00 0.00 O ATOM 659 OD2 ASP A 66 0.749 13.203 12.427 1.00 0.00 O ATOM 0 H ASP A 66 3.862 11.558 8.524 1.00 0.00 H new ATOM 0 HA ASP A 66 3.278 12.803 10.276 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.902 11.564 9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.169 10.993 11.336 1.00 0.00 H new ATOM 664 N GLY A 67 3.141 9.869 11.839 1.00 0.00 N ATOM 665 CA GLY A 67 3.686 9.093 12.940 1.00 0.00 C ATOM 666 C GLY A 67 2.954 7.757 13.083 1.00 0.00 C ATOM 667 O GLY A 67 2.728 7.285 14.197 1.00 0.00 O ATOM 0 H GLY A 67 2.404 9.402 11.312 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.748 8.914 12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.600 9.660 13.867 1.00 0.00 H new ATOM 671 N LYS A 68 2.605 7.184 11.941 1.00 0.00 N ATOM 672 CA LYS A 68 1.903 5.912 11.925 1.00 0.00 C ATOM 673 C LYS A 68 2.777 4.861 11.238 1.00 0.00 C ATOM 674 O LYS A 68 3.826 5.187 10.683 1.00 0.00 O ATOM 675 CB LYS A 68 0.520 6.070 11.292 1.00 0.00 C ATOM 676 CG LYS A 68 0.633 6.490 9.825 1.00 0.00 C ATOM 677 CD LYS A 68 -0.222 5.590 8.930 1.00 0.00 C ATOM 678 CE LYS A 68 -1.704 5.703 9.295 1.00 0.00 C ATOM 679 NZ LYS A 68 -2.385 4.402 9.105 1.00 0.00 N ATOM 0 H LYS A 68 2.795 7.577 11.019 1.00 0.00 H new ATOM 0 HA LYS A 68 1.724 5.564 12.942 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.026 5.129 11.364 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.054 6.815 11.844 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.315 7.527 9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.675 6.440 9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.079 5.868 7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.104 4.555 9.032 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.806 6.026 10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.180 6.463 8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.390 4.496 9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.303 4.109 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.941 3.685 9.714 1.00 0.00 H new ATOM 693 N ARG A 69 2.314 3.621 11.297 1.00 0.00 N ATOM 694 CA ARG A 69 3.040 2.521 10.687 1.00 0.00 C ATOM 695 C ARG A 69 2.075 1.597 9.940 1.00 0.00 C ATOM 696 O ARG A 69 1.101 1.115 10.515 1.00 0.00 O ATOM 697 CB ARG A 69 3.799 1.710 11.740 1.00 0.00 C ATOM 698 CG ARG A 69 4.238 0.356 11.178 1.00 0.00 C ATOM 699 CD ARG A 69 5.000 0.530 9.863 1.00 0.00 C ATOM 700 NE ARG A 69 6.329 -0.115 9.959 1.00 0.00 N ATOM 701 CZ ARG A 69 6.515 -1.424 10.177 1.00 0.00 C ATOM 702 NH1 ARG A 69 5.459 -2.235 10.323 1.00 0.00 N ATOM 703 NH2 ARG A 69 7.757 -1.921 10.250 1.00 0.00 N ATOM 0 H ARG A 69 1.444 3.354 11.758 1.00 0.00 H new ATOM 0 HA ARG A 69 3.758 2.946 9.986 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.673 2.269 12.075 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.165 1.557 12.613 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.870 -0.156 11.904 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.364 -0.275 11.016 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.432 0.091 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.116 1.590 9.638 1.00 0.00 H new ATOM 0 HE ARG A 69 7.155 0.474 9.853 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.514 -1.856 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.600 -3.231 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.561 -1.303 10.140 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.899 -2.917 10.416 1.00 0.00 H new ATOM 717 N LEU A 70 2.380 1.379 8.669 1.00 0.00 N ATOM 718 CA LEU A 70 1.553 0.522 7.838 1.00 0.00 C ATOM 719 C LEU A 70 2.408 -0.076 6.719 1.00 0.00 C ATOM 720 O LEU A 70 3.562 0.310 6.541 1.00 0.00 O ATOM 721 CB LEU A 70 0.327 1.287 7.333 1.00 0.00 C ATOM 722 CG LEU A 70 0.488 1.998 5.988 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.489 1.439 4.952 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.347 3.513 6.149 1.00 0.00 C ATOM 0 H LEU A 70 3.189 1.781 8.195 1.00 0.00 H new ATOM 0 HA LEU A 70 1.162 -0.312 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.506 0.588 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.052 2.029 8.083 1.00 0.00 H new ATOM 0 HG LEU A 70 1.495 1.805 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.354 1.962 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.299 0.375 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.511 1.581 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.466 3.995 5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.639 3.746 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.114 3.879 6.832 1.00 0.00 H new ATOM 736 N HIS A 71 1.808 -1.009 5.993 1.00 0.00 N ATOM 737 CA HIS A 71 2.501 -1.665 4.897 1.00 0.00 C ATOM 738 C HIS A 71 1.930 -1.175 3.564 1.00 0.00 C ATOM 739 O HIS A 71 0.715 -1.160 3.373 1.00 0.00 O ATOM 740 CB HIS A 71 2.437 -3.186 5.046 1.00 0.00 C ATOM 741 CG HIS A 71 1.667 -3.653 6.258 1.00 0.00 C ATOM 742 ND1 HIS A 71 2.284 -4.146 7.394 1.00 0.00 N ATOM 743 CD2 HIS A 71 0.325 -3.695 6.499 1.00 0.00 C ATOM 744 CE1 HIS A 71 1.346 -4.469 8.273 1.00 0.00 C ATOM 745 NE2 HIS A 71 0.133 -4.189 7.716 1.00 0.00 N ATOM 0 H HIS A 71 0.850 -1.326 6.143 1.00 0.00 H new ATOM 0 HA HIS A 71 3.558 -1.401 4.920 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.979 -3.609 4.152 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.452 -3.578 5.100 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.450 -3.380 5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.513 -4.881 9.257 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.773 -4.335 8.161 1.00 0.00 H new ATOM 753 N ILE A 72 2.835 -0.787 2.677 1.00 0.00 N ATOM 754 CA ILE A 72 2.437 -0.299 1.368 1.00 0.00 C ATOM 755 C ILE A 72 3.061 -1.184 0.287 1.00 0.00 C ATOM 756 O ILE A 72 3.930 -2.004 0.577 1.00 0.00 O ATOM 757 CB ILE A 72 2.781 1.185 1.222 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.274 1.427 1.455 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.911 2.042 2.143 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.860 2.325 0.364 1.00 0.00 C ATOM 0 H ILE A 72 3.842 -0.801 2.839 1.00 0.00 H new ATOM 0 HA ILE A 72 1.355 -0.365 1.250 1.00 0.00 H new ATOM 0 HB ILE A 72 2.562 1.488 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.423 1.889 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.803 0.474 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.176 3.092 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.861 1.900 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.076 1.745 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.922 2.481 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.731 1.849 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.345 3.286 0.368 1.00 0.00 H new ATOM 772 N SER A 73 2.593 -0.986 -0.937 1.00 0.00 N ATOM 773 CA SER A 73 3.094 -1.756 -2.063 1.00 0.00 C ATOM 774 C SER A 73 4.565 -1.419 -2.314 1.00 0.00 C ATOM 775 O SER A 73 4.985 -0.278 -2.126 1.00 0.00 O ATOM 776 CB SER A 73 2.267 -1.493 -3.323 1.00 0.00 C ATOM 777 OG SER A 73 1.750 -2.697 -3.883 1.00 0.00 O ATOM 0 H SER A 73 1.873 -0.304 -1.173 1.00 0.00 H new ATOM 0 HA SER A 73 3.006 -2.815 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.443 -0.822 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.885 -0.985 -4.063 1.00 0.00 H new ATOM 0 HG SER A 73 1.227 -2.487 -4.684 1.00 0.00 H new ATOM 783 N GLU A 74 5.308 -2.432 -2.735 1.00 0.00 N ATOM 784 CA GLU A 74 6.724 -2.257 -3.014 1.00 0.00 C ATOM 785 C GLU A 74 6.925 -1.185 -4.087 1.00 0.00 C ATOM 786 O GLU A 74 7.859 -0.388 -4.007 1.00 0.00 O ATOM 787 CB GLU A 74 7.368 -3.580 -3.433 1.00 0.00 C ATOM 788 CG GLU A 74 6.877 -4.015 -4.815 1.00 0.00 C ATOM 789 CD GLU A 74 7.747 -3.414 -5.921 1.00 0.00 C ATOM 790 OE1 GLU A 74 8.979 -3.368 -5.711 1.00 0.00 O ATOM 791 OE2 GLU A 74 7.162 -3.015 -6.950 1.00 0.00 O ATOM 0 H GLU A 74 4.956 -3.377 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 74 7.216 -1.925 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.453 -3.473 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.132 -4.352 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.894 -5.103 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.842 -3.703 -4.952 1.00 0.00 H new ATOM 798 N GLU A 75 6.033 -1.199 -5.067 1.00 0.00 N ATOM 799 CA GLU A 75 6.100 -0.239 -6.155 1.00 0.00 C ATOM 800 C GLU A 75 5.708 1.154 -5.658 1.00 0.00 C ATOM 801 O GLU A 75 6.307 2.152 -6.057 1.00 0.00 O ATOM 802 CB GLU A 75 5.216 -0.672 -7.325 1.00 0.00 C ATOM 803 CG GLU A 75 5.334 0.308 -8.494 1.00 0.00 C ATOM 804 CD GLU A 75 5.085 -0.398 -9.829 1.00 0.00 C ATOM 805 OE1 GLU A 75 6.091 -0.744 -10.484 1.00 0.00 O ATOM 806 OE2 GLU A 75 3.893 -0.575 -10.164 1.00 0.00 O ATOM 0 H GLU A 75 5.259 -1.861 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 75 7.128 -0.200 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.504 -1.671 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.178 -0.731 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.616 1.118 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.326 0.759 -8.497 1.00 0.00 H new ATOM 813 N ASP A 76 4.704 1.178 -4.794 1.00 0.00 N ATOM 814 CA ASP A 76 4.224 2.432 -4.238 1.00 0.00 C ATOM 815 C ASP A 76 5.265 2.984 -3.262 1.00 0.00 C ATOM 816 O ASP A 76 5.362 4.195 -3.071 1.00 0.00 O ATOM 817 CB ASP A 76 2.917 2.230 -3.470 1.00 0.00 C ATOM 818 CG ASP A 76 1.647 2.565 -4.256 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.666 1.806 -4.099 1.00 0.00 O ATOM 820 OD2 ASP A 76 1.686 3.571 -4.996 1.00 0.00 O ATOM 0 H ASP A 76 4.209 0.349 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 76 4.054 3.123 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.861 1.191 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.943 2.845 -2.571 1.00 0.00 H new ATOM 825 N ALA A 77 6.018 2.068 -2.669 1.00 0.00 N ATOM 826 CA ALA A 77 7.048 2.448 -1.717 1.00 0.00 C ATOM 827 C ALA A 77 8.212 3.100 -2.465 1.00 0.00 C ATOM 828 O ALA A 77 8.902 3.960 -1.919 1.00 0.00 O ATOM 829 CB ALA A 77 7.484 1.217 -0.920 1.00 0.00 C ATOM 0 H ALA A 77 5.935 1.064 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 77 6.663 3.179 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.257 1.501 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.627 0.808 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.879 0.464 -1.601 1.00 0.00 H new ATOM 835 N GLN A 78 8.394 2.668 -3.704 1.00 0.00 N ATOM 836 CA GLN A 78 9.463 3.199 -4.533 1.00 0.00 C ATOM 837 C GLN A 78 9.081 4.580 -5.071 1.00 0.00 C ATOM 838 O GLN A 78 9.902 5.496 -5.080 1.00 0.00 O ATOM 839 CB GLN A 78 9.799 2.240 -5.676 1.00 0.00 C ATOM 840 CG GLN A 78 10.867 2.836 -6.596 1.00 0.00 C ATOM 841 CD GLN A 78 12.215 2.139 -6.394 1.00 0.00 C ATOM 842 OE1 GLN A 78 12.314 0.925 -6.340 1.00 0.00 O ATOM 843 NE2 GLN A 78 13.244 2.975 -6.284 1.00 0.00 N ATOM 0 H GLN A 78 7.819 1.956 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 78 10.356 3.304 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.152 1.293 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.898 2.024 -6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.554 2.736 -7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.971 3.902 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 78 13.091 3.982 -6.338 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.186 2.609 -6.145 1.00 0.00 H new ATOM 852 N ARG A 79 7.834 4.686 -5.505 1.00 0.00 N ATOM 853 CA ARG A 79 7.333 5.940 -6.043 1.00 0.00 C ATOM 854 C ARG A 79 7.234 6.991 -4.936 1.00 0.00 C ATOM 855 O ARG A 79 7.370 8.185 -5.195 1.00 0.00 O ATOM 856 CB ARG A 79 5.957 5.753 -6.685 1.00 0.00 C ATOM 857 CG ARG A 79 6.017 6.001 -8.193 1.00 0.00 C ATOM 858 CD ARG A 79 4.737 6.678 -8.689 1.00 0.00 C ATOM 859 NE ARG A 79 5.059 7.993 -9.287 1.00 0.00 N ATOM 860 CZ ARG A 79 4.142 8.849 -9.757 1.00 0.00 C ATOM 861 NH1 ARG A 79 2.841 8.535 -9.700 1.00 0.00 N ATOM 862 NH2 ARG A 79 4.527 10.020 -10.283 1.00 0.00 N ATOM 0 H ARG A 79 7.155 3.925 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 79 8.034 6.277 -6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.597 4.742 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.243 6.438 -6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.878 6.627 -8.428 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.158 5.055 -8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.243 6.045 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.040 6.807 -7.861 1.00 0.00 H new ATOM 0 HE ARG A 79 6.041 8.264 -9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.549 7.644 -9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.143 9.187 -10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.518 10.259 -10.325 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.829 10.672 -10.641 1.00 0.00 H new ATOM 876 N LEU A 80 6.997 6.507 -3.725 1.00 0.00 N ATOM 877 CA LEU A 80 6.878 7.390 -2.577 1.00 0.00 C ATOM 878 C LEU A 80 8.165 8.203 -2.428 1.00 0.00 C ATOM 879 O LEU A 80 8.118 9.417 -2.234 1.00 0.00 O ATOM 880 CB LEU A 80 6.505 6.593 -1.325 1.00 0.00 C ATOM 881 CG LEU A 80 5.195 6.990 -0.642 1.00 0.00 C ATOM 882 CD1 LEU A 80 4.673 5.858 0.244 1.00 0.00 C ATOM 883 CD2 LEU A 80 5.355 8.299 0.134 1.00 0.00 C ATOM 0 H LEU A 80 6.884 5.515 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 80 6.067 8.102 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.446 5.538 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.314 6.692 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 80 4.447 7.164 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.741 6.167 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.494 4.972 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.411 5.627 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.409 8.558 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.124 8.178 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.646 9.095 -0.551 1.00 0.00 H new ATOM 895 N VAL A 81 9.285 7.501 -2.526 1.00 0.00 N ATOM 896 CA VAL A 81 10.583 8.143 -2.405 1.00 0.00 C ATOM 897 C VAL A 81 10.844 8.995 -3.649 1.00 0.00 C ATOM 898 O VAL A 81 11.248 10.152 -3.539 1.00 0.00 O ATOM 899 CB VAL A 81 11.666 7.090 -2.163 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.058 7.661 -2.444 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.580 6.530 -0.742 1.00 0.00 C ATOM 0 H VAL A 81 9.320 6.495 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 81 10.600 8.812 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 81 11.494 6.268 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.810 6.892 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.114 7.988 -3.482 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.243 8.510 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.361 5.784 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.713 7.339 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.604 6.068 -0.591 1.00 0.00 H new ATOM 911 N VAL A 82 10.603 8.390 -4.802 1.00 0.00 N ATOM 912 CA VAL A 82 10.807 9.079 -6.066 1.00 0.00 C ATOM 913 C VAL A 82 10.096 10.433 -6.023 1.00 0.00 C ATOM 914 O VAL A 82 10.589 11.414 -6.579 1.00 0.00 O ATOM 915 CB VAL A 82 10.341 8.195 -7.225 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.284 8.990 -8.531 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.238 6.964 -7.370 1.00 0.00 C ATOM 0 H VAL A 82 10.268 7.430 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 82 11.867 9.273 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 82 9.332 7.849 -6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.950 8.339 -9.339 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.586 9.820 -8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.275 9.378 -8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.885 6.353 -8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.263 7.281 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.206 6.380 -6.450 1.00 0.00 H new ATOM 927 N ALA A 83 8.950 10.444 -5.359 1.00 0.00 N ATOM 928 CA ALA A 83 8.167 11.661 -5.238 1.00 0.00 C ATOM 929 C ALA A 83 8.932 12.671 -4.380 1.00 0.00 C ATOM 930 O ALA A 83 8.783 13.880 -4.556 1.00 0.00 O ATOM 931 CB ALA A 83 6.791 11.328 -4.657 1.00 0.00 C ATOM 0 H ALA A 83 8.545 9.629 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 83 8.007 12.113 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.204 12.242 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.277 10.630 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.911 10.875 -3.673 1.00 0.00 H new ATOM 937 N GLY A 84 9.735 12.139 -3.471 1.00 0.00 N ATOM 938 CA GLY A 84 10.524 12.979 -2.586 1.00 0.00 C ATOM 939 C GLY A 84 10.613 12.368 -1.185 1.00 0.00 C ATOM 940 O GLY A 84 11.424 12.799 -0.367 1.00 0.00 O ATOM 0 H GLY A 84 9.856 11.136 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.526 13.105 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.077 13.971 -2.526 1.00 0.00 H new ATOM 944 N ALA A 85 9.767 11.375 -0.953 1.00 0.00 N ATOM 945 CA ALA A 85 9.739 10.702 0.334 1.00 0.00 C ATOM 946 C ALA A 85 11.133 10.153 0.647 1.00 0.00 C ATOM 947 O ALA A 85 11.931 9.922 -0.259 1.00 0.00 O ATOM 948 CB ALA A 85 8.672 9.606 0.314 1.00 0.00 C ATOM 0 H ALA A 85 9.096 11.021 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 85 9.473 11.401 1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.651 9.101 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.697 10.051 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 85 8.907 8.884 -0.468 1.00 0.00 H new ATOM 954 N GLU A 86 11.382 9.959 1.934 1.00 0.00 N ATOM 955 CA GLU A 86 12.665 9.441 2.378 1.00 0.00 C ATOM 956 C GLU A 86 12.778 7.951 2.052 1.00 0.00 C ATOM 957 O GLU A 86 11.770 7.249 1.981 1.00 0.00 O ATOM 958 CB GLU A 86 12.870 9.693 3.873 1.00 0.00 C ATOM 959 CG GLU A 86 14.142 10.505 4.124 1.00 0.00 C ATOM 960 CD GLU A 86 14.038 11.895 3.492 1.00 0.00 C ATOM 961 OE1 GLU A 86 13.512 12.795 4.182 1.00 0.00 O ATOM 962 OE2 GLU A 86 14.487 12.026 2.332 1.00 0.00 O ATOM 0 H GLU A 86 10.717 10.151 2.683 1.00 0.00 H new ATOM 0 HA GLU A 86 13.453 9.970 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.009 10.226 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.932 8.741 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.311 10.601 5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.002 9.977 3.712 1.00 0.00 H new ATOM 969 N ASP A 87 14.013 7.511 1.863 1.00 0.00 N ATOM 970 CA ASP A 87 14.270 6.116 1.546 1.00 0.00 C ATOM 971 C ASP A 87 15.403 5.597 2.434 1.00 0.00 C ATOM 972 O ASP A 87 16.571 5.902 2.198 1.00 0.00 O ATOM 973 CB ASP A 87 14.700 5.953 0.087 1.00 0.00 C ATOM 974 CG ASP A 87 14.244 4.654 -0.580 1.00 0.00 C ATOM 975 OD1 ASP A 87 14.535 3.586 -0.001 1.00 0.00 O ATOM 976 OD2 ASP A 87 13.614 4.759 -1.655 1.00 0.00 O ATOM 0 H ASP A 87 14.847 8.095 1.923 1.00 0.00 H new ATOM 0 HA ASP A 87 13.350 5.556 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.311 6.794 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.787 6.008 0.036 1.00 0.00 H new ATOM 981 N GLN A 88 15.018 4.821 3.437 1.00 0.00 N ATOM 982 CA GLN A 88 15.987 4.257 4.361 1.00 0.00 C ATOM 983 C GLN A 88 15.884 2.730 4.370 1.00 0.00 C ATOM 984 O GLN A 88 16.738 2.050 4.938 1.00 0.00 O ATOM 985 CB GLN A 88 15.799 4.827 5.768 1.00 0.00 C ATOM 986 CG GLN A 88 15.745 6.356 5.737 1.00 0.00 C ATOM 987 CD GLN A 88 16.971 6.934 5.027 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.990 6.283 4.864 1.00 0.00 O ATOM 989 NE2 GLN A 88 16.815 8.188 4.614 1.00 0.00 N ATOM 0 H GLN A 88 14.048 4.570 3.630 1.00 0.00 H new ATOM 0 HA GLN A 88 16.986 4.533 4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.879 4.436 6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.618 4.501 6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.838 6.681 5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.694 6.742 6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.935 8.675 4.783 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.575 8.663 4.128 1.00 0.00 H new ATOM 998 N ARG A 89 14.832 2.236 3.734 1.00 0.00 N ATOM 999 CA ARG A 89 14.607 0.802 3.662 1.00 0.00 C ATOM 1000 C ARG A 89 15.724 0.129 2.862 1.00 0.00 C ATOM 1001 O ARG A 89 16.035 -1.040 3.086 1.00 0.00 O ATOM 1002 CB ARG A 89 13.260 0.488 3.008 1.00 0.00 C ATOM 1003 CG ARG A 89 13.094 1.260 1.698 1.00 0.00 C ATOM 1004 CD ARG A 89 12.613 0.338 0.576 1.00 0.00 C ATOM 1005 NE ARG A 89 12.506 1.095 -0.691 1.00 0.00 N ATOM 1006 CZ ARG A 89 12.282 0.532 -1.887 1.00 0.00 C ATOM 1007 NH1 ARG A 89 12.139 -0.797 -1.985 1.00 0.00 N ATOM 1008 NH2 ARG A 89 12.201 1.298 -2.983 1.00 0.00 N ATOM 0 H ARG A 89 14.126 2.803 3.264 1.00 0.00 H new ATOM 0 HA ARG A 89 14.602 0.416 4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.186 -0.582 2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.451 0.746 3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.380 2.072 1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.044 1.716 1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.307 -0.493 0.455 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.645 -0.090 0.836 1.00 0.00 H new ATOM 0 HE ARG A 89 12.609 2.109 -0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.201 -1.380 -1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.969 -1.226 -2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.310 2.309 -2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.031 0.870 -3.893 1.00 0.00 H new