USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 425 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 30 ASN : amide:sc= -0.148 X(o=-0.75,f=-0.31) USER MOD Set 1.2: A 42 THR OG1 : rot -170:sc= -0.602 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -165:sc= -0.268 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 35:sc= 0.181 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 39 MET CE :methyl -134:sc= -3.31! (180deg=-4.56) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00226 X(o=-0.0023,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.598 K(o=-0.6,f=-4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 4 7.304 3.369 -2.732 1.00 1.00 N ATOM 35 CA LYS A 4 6.966 3.398 -4.184 1.00 1.00 C ATOM 36 C LYS A 4 7.929 4.319 -4.938 1.00 1.00 C ATOM 37 O LYS A 4 8.931 4.758 -4.409 1.00 1.00 O ATOM 38 CB LYS A 4 5.543 3.954 -4.251 1.00 1.00 C ATOM 39 CG LYS A 4 4.553 2.805 -4.462 1.00 1.00 C ATOM 40 CD LYS A 4 3.131 3.362 -4.551 1.00 1.00 C ATOM 41 CE LYS A 4 2.177 2.450 -3.773 1.00 1.00 C ATOM 42 NZ LYS A 4 1.429 1.694 -4.816 1.00 1.00 N ATOM 0 HA LYS A 4 7.044 2.411 -4.640 1.00 1.00 H new ATOM 0 HB2 LYS A 4 5.306 4.487 -3.330 1.00 1.00 H new ATOM 0 HB3 LYS A 4 5.461 4.673 -5.066 1.00 1.00 H new ATOM 0 HG2 LYS A 4 4.799 2.262 -5.375 1.00 1.00 H new ATOM 0 HG3 LYS A 4 4.625 2.094 -3.639 1.00 1.00 H new ATOM 0 HD2 LYS A 4 3.098 4.373 -4.144 1.00 1.00 H new ATOM 0 HD3 LYS A 4 2.819 3.428 -5.593 1.00 1.00 H new ATOM 0 HE2 LYS A 4 2.725 1.776 -3.114 1.00 1.00 H new ATOM 0 HE3 LYS A 4 1.501 3.030 -3.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 0.755 1.047 -4.359 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 0.912 2.361 -5.424 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 2.098 1.146 -5.394 1.00 1.00 H new ATOM 56 N ILE A 5 7.623 4.620 -6.168 1.00 1.00 N ATOM 57 CA ILE A 5 8.504 5.517 -6.961 1.00 1.00 C ATOM 58 C ILE A 5 7.841 6.890 -7.097 1.00 1.00 C ATOM 59 O ILE A 5 6.632 7.005 -7.129 1.00 1.00 O ATOM 60 CB ILE A 5 8.636 4.831 -8.325 1.00 1.00 C ATOM 61 CG1 ILE A 5 9.488 3.569 -8.179 1.00 1.00 C ATOM 62 CG2 ILE A 5 9.304 5.779 -9.322 1.00 1.00 C ATOM 63 CD1 ILE A 5 8.870 2.441 -9.005 1.00 1.00 C ATOM 0 H ILE A 5 6.796 4.281 -6.660 1.00 1.00 H new ATOM 0 HA ILE A 5 9.478 5.677 -6.499 1.00 1.00 H new ATOM 0 HB ILE A 5 7.644 4.566 -8.690 1.00 1.00 H new ATOM 0 HG12 ILE A 5 10.507 3.764 -8.514 1.00 1.00 H new ATOM 0 HG13 ILE A 5 9.548 3.276 -7.131 1.00 1.00 H new ATOM 0 HG21 ILE A 5 9.395 5.285 -10.289 1.00 1.00 H new ATOM 0 HG22 ILE A 5 8.699 6.679 -9.430 1.00 1.00 H new ATOM 0 HG23 ILE A 5 10.295 6.050 -8.959 1.00 1.00 H new ATOM 0 HD11 ILE A 5 9.476 1.541 -8.902 1.00 1.00 H new ATOM 0 HD12 ILE A 5 7.859 2.241 -8.649 1.00 1.00 H new ATOM 0 HD13 ILE A 5 8.833 2.736 -10.054 1.00 1.00 H new ATOM 75 N PHE A 6 8.621 7.931 -7.176 1.00 1.00 N ATOM 76 CA PHE A 6 8.031 9.293 -7.307 1.00 1.00 C ATOM 77 C PHE A 6 8.494 9.944 -8.610 1.00 1.00 C ATOM 78 O PHE A 6 9.242 9.366 -9.374 1.00 1.00 O ATOM 79 CB PHE A 6 8.556 10.077 -6.103 1.00 1.00 C ATOM 80 CG PHE A 6 7.610 9.912 -4.939 1.00 1.00 C ATOM 81 CD1 PHE A 6 7.361 8.638 -4.414 1.00 1.00 C ATOM 82 CD2 PHE A 6 6.982 11.033 -4.384 1.00 1.00 C ATOM 83 CE1 PHE A 6 6.485 8.485 -3.334 1.00 1.00 C ATOM 84 CE2 PHE A 6 6.105 10.881 -3.303 1.00 1.00 C ATOM 85 CZ PHE A 6 5.857 9.607 -2.778 1.00 1.00 C ATOM 0 H PHE A 6 9.640 7.899 -7.156 1.00 1.00 H new ATOM 0 HA PHE A 6 6.942 9.267 -7.331 1.00 1.00 H new ATOM 0 HB2 PHE A 6 9.550 9.721 -5.830 1.00 1.00 H new ATOM 0 HB3 PHE A 6 8.654 11.132 -6.358 1.00 1.00 H new ATOM 0 HD1 PHE A 6 7.845 7.773 -4.843 1.00 1.00 H new ATOM 0 HD2 PHE A 6 7.174 12.015 -4.790 1.00 1.00 H new ATOM 0 HE1 PHE A 6 6.293 7.502 -2.929 1.00 1.00 H new ATOM 0 HE2 PHE A 6 5.620 11.746 -2.875 1.00 1.00 H new ATOM 0 HZ PHE A 6 5.181 9.489 -1.944 1.00 1.00 H new ATOM 95 N ARG A 7 8.055 11.145 -8.870 1.00 1.00 N ATOM 96 CA ARG A 7 8.471 11.835 -10.123 1.00 1.00 C ATOM 97 C ARG A 7 8.256 13.345 -9.995 1.00 1.00 C ATOM 98 O ARG A 7 7.292 13.798 -9.409 1.00 1.00 O ATOM 99 CB ARG A 7 7.568 11.255 -11.211 1.00 1.00 C ATOM 100 CG ARG A 7 8.307 11.270 -12.550 1.00 1.00 C ATOM 101 CD ARG A 7 8.047 9.958 -13.292 1.00 1.00 C ATOM 102 NE ARG A 7 7.223 10.343 -14.470 1.00 1.00 N ATOM 103 CZ ARG A 7 5.967 9.992 -14.530 1.00 1.00 C ATOM 104 NH1 ARG A 7 5.626 8.751 -14.313 1.00 1.00 N ATOM 105 NH2 ARG A 7 5.054 10.882 -14.807 1.00 1.00 N ATOM 0 H ARG A 7 7.426 11.678 -8.269 1.00 1.00 H new ATOM 0 HA ARG A 7 9.527 11.685 -10.345 1.00 1.00 H new ATOM 0 HB2 ARG A 7 7.280 10.236 -10.954 1.00 1.00 H new ATOM 0 HB3 ARG A 7 6.649 11.837 -11.284 1.00 1.00 H new ATOM 0 HG2 ARG A 7 7.971 12.114 -13.153 1.00 1.00 H new ATOM 0 HG3 ARG A 7 9.377 11.401 -12.386 1.00 1.00 H new ATOM 0 HD2 ARG A 7 8.980 9.486 -13.600 1.00 1.00 H new ATOM 0 HD3 ARG A 7 7.522 9.243 -12.659 1.00 1.00 H new ATOM 0 HE ARG A 7 7.639 10.881 -15.230 1.00 1.00 H new ATOM 0 HH11 ARG A 7 6.341 8.056 -14.097 1.00 1.00 H new ATOM 0 HH12 ARG A 7 4.645 8.476 -14.360 1.00 1.00 H new ATOM 0 HH21 ARG A 7 5.322 11.852 -14.977 1.00 1.00 H new ATOM 0 HH22 ARG A 7 4.073 10.608 -14.854 1.00 1.00 H new ATOM 119 N ALA A 8 9.146 14.127 -10.542 1.00 1.00 N ATOM 120 CA ALA A 8 8.994 15.608 -10.455 1.00 1.00 C ATOM 121 C ALA A 8 8.109 16.115 -11.598 1.00 1.00 C ATOM 122 O ALA A 8 7.995 15.486 -12.631 1.00 1.00 O ATOM 123 CB ALA A 8 10.413 16.160 -10.589 1.00 1.00 C ATOM 0 H ALA A 8 9.972 13.805 -11.046 1.00 1.00 H new ATOM 0 HA ALA A 8 8.522 15.922 -9.524 1.00 1.00 H new ATOM 0 HB1 ALA A 8 10.387 17.248 -10.535 1.00 1.00 H new ATOM 0 HB2 ALA A 8 11.032 15.771 -9.781 1.00 1.00 H new ATOM 0 HB3 ALA A 8 10.833 15.855 -11.547 1.00 1.00 H new ATOM 129 N MET A 9 7.479 17.245 -11.421 1.00 1.00 N ATOM 130 CA MET A 9 6.600 17.785 -12.499 1.00 1.00 C ATOM 131 C MET A 9 6.860 19.281 -12.720 1.00 1.00 C ATOM 132 O MET A 9 6.181 19.926 -13.493 1.00 1.00 O ATOM 133 CB MET A 9 5.175 17.563 -11.990 1.00 1.00 C ATOM 134 CG MET A 9 4.702 16.163 -12.383 1.00 1.00 C ATOM 135 SD MET A 9 3.009 15.912 -11.793 1.00 1.00 S ATOM 136 CE MET A 9 2.186 16.049 -13.399 1.00 1.00 C ATOM 0 H MET A 9 7.534 17.817 -10.578 1.00 1.00 H new ATOM 0 HA MET A 9 6.782 17.294 -13.455 1.00 1.00 H new ATOM 0 HB2 MET A 9 5.143 17.678 -10.907 1.00 1.00 H new ATOM 0 HB3 MET A 9 4.507 18.315 -12.410 1.00 1.00 H new ATOM 0 HG2 MET A 9 4.743 16.044 -13.466 1.00 1.00 H new ATOM 0 HG3 MET A 9 5.364 15.410 -11.954 1.00 1.00 H new ATOM 0 HE1 MET A 9 1.111 15.923 -13.269 1.00 1.00 H new ATOM 0 HE2 MET A 9 2.387 17.031 -13.828 1.00 1.00 H new ATOM 0 HE3 MET A 9 2.563 15.276 -14.068 1.00 1.00 H new ATOM 146 N TYR A 10 7.833 19.841 -12.050 1.00 1.00 N ATOM 147 CA TYR A 10 8.119 21.293 -12.231 1.00 1.00 C ATOM 148 C TYR A 10 9.626 21.519 -12.394 1.00 1.00 C ATOM 149 O TYR A 10 10.421 21.053 -11.602 1.00 1.00 O ATOM 150 CB TYR A 10 7.617 21.964 -10.950 1.00 1.00 C ATOM 151 CG TYR A 10 6.179 21.576 -10.694 1.00 1.00 C ATOM 152 CD1 TYR A 10 5.195 21.856 -11.650 1.00 1.00 C ATOM 153 CD2 TYR A 10 5.833 20.935 -9.499 1.00 1.00 C ATOM 154 CE1 TYR A 10 3.864 21.494 -11.410 1.00 1.00 C ATOM 155 CE2 TYR A 10 4.503 20.574 -9.259 1.00 1.00 C ATOM 156 CZ TYR A 10 3.517 20.853 -10.214 1.00 1.00 C ATOM 157 OH TYR A 10 2.205 20.496 -9.977 1.00 1.00 O ATOM 0 H TYR A 10 8.439 19.357 -11.388 1.00 1.00 H new ATOM 0 HA TYR A 10 7.635 21.698 -13.120 1.00 1.00 H new ATOM 0 HB2 TYR A 10 8.239 21.666 -10.106 1.00 1.00 H new ATOM 0 HB3 TYR A 10 7.700 23.047 -11.040 1.00 1.00 H new ATOM 0 HD1 TYR A 10 5.463 22.351 -12.572 1.00 1.00 H new ATOM 0 HD2 TYR A 10 6.593 20.719 -8.762 1.00 1.00 H new ATOM 0 HE1 TYR A 10 3.105 21.709 -12.147 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.236 20.080 -8.337 1.00 1.00 H new ATOM 0 HH TYR A 10 2.138 20.060 -9.102 1.00 1.00 H new ATOM 167 N ASP A 11 10.024 22.233 -13.412 1.00 1.00 N ATOM 168 CA ASP A 11 11.479 22.490 -13.620 1.00 1.00 C ATOM 169 C ASP A 11 11.992 23.466 -12.555 1.00 1.00 C ATOM 170 O ASP A 11 11.751 24.655 -12.625 1.00 1.00 O ATOM 171 CB ASP A 11 11.574 23.114 -15.013 1.00 1.00 C ATOM 172 CG ASP A 11 10.694 24.364 -15.076 1.00 1.00 C ATOM 173 OD1 ASP A 11 9.509 24.218 -15.328 1.00 1.00 O ATOM 174 OD2 ASP A 11 11.220 25.445 -14.870 1.00 1.00 O ATOM 0 H ASP A 11 9.406 22.649 -14.108 1.00 1.00 H new ATOM 0 HA ASP A 11 12.080 21.584 -13.540 1.00 1.00 H new ATOM 0 HB2 ASP A 11 12.609 23.374 -15.236 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.256 22.394 -15.767 1.00 1.00 H new ATOM 179 N TYR A 12 12.691 22.976 -11.567 1.00 1.00 N ATOM 180 CA TYR A 12 13.207 23.884 -10.501 1.00 1.00 C ATOM 181 C TYR A 12 14.707 24.132 -10.680 1.00 1.00 C ATOM 182 O TYR A 12 15.440 23.276 -11.134 1.00 1.00 O ATOM 183 CB TYR A 12 12.945 23.148 -9.187 1.00 1.00 C ATOM 184 CG TYR A 12 13.393 24.019 -8.041 1.00 1.00 C ATOM 185 CD1 TYR A 12 12.949 25.342 -7.960 1.00 1.00 C ATOM 186 CD2 TYR A 12 14.258 23.509 -7.065 1.00 1.00 C ATOM 187 CE1 TYR A 12 13.367 26.158 -6.905 1.00 1.00 C ATOM 188 CE2 TYR A 12 14.677 24.325 -6.006 1.00 1.00 C ATOM 189 CZ TYR A 12 14.232 25.650 -5.928 1.00 1.00 C ATOM 190 OH TYR A 12 14.646 26.457 -4.887 1.00 1.00 O ATOM 0 H TYR A 12 12.927 21.990 -11.451 1.00 1.00 H new ATOM 0 HA TYR A 12 12.721 24.859 -10.531 1.00 1.00 H new ATOM 0 HB2 TYR A 12 11.885 22.915 -9.091 1.00 1.00 H new ATOM 0 HB3 TYR A 12 13.483 22.200 -9.172 1.00 1.00 H new ATOM 0 HD1 TYR A 12 12.282 25.734 -8.714 1.00 1.00 H new ATOM 0 HD2 TYR A 12 14.602 22.487 -7.129 1.00 1.00 H new ATOM 0 HE1 TYR A 12 13.023 27.180 -6.843 1.00 1.00 H new ATOM 0 HE2 TYR A 12 15.342 23.932 -5.251 1.00 1.00 H new ATOM 0 HH TYR A 12 15.418 26.048 -4.443 1.00 1.00 H new ATOM 200 N MET A 13 15.166 25.299 -10.316 1.00 1.00 N ATOM 201 CA MET A 13 16.617 25.611 -10.451 1.00 1.00 C ATOM 202 C MET A 13 17.217 25.894 -9.071 1.00 1.00 C ATOM 203 O MET A 13 16.993 26.937 -8.489 1.00 1.00 O ATOM 204 CB MET A 13 16.676 26.862 -11.330 1.00 1.00 C ATOM 205 CG MET A 13 17.419 26.538 -12.628 1.00 1.00 C ATOM 206 SD MET A 13 19.030 27.366 -12.630 1.00 1.00 S ATOM 207 CE MET A 13 20.056 25.875 -12.622 1.00 1.00 C ATOM 0 H MET A 13 14.596 26.052 -9.930 1.00 1.00 H new ATOM 0 HA MET A 13 17.182 24.786 -10.885 1.00 1.00 H new ATOM 0 HB2 MET A 13 15.668 27.211 -11.553 1.00 1.00 H new ATOM 0 HB3 MET A 13 17.183 27.669 -10.800 1.00 1.00 H new ATOM 0 HG2 MET A 13 17.553 25.460 -12.723 1.00 1.00 H new ATOM 0 HG3 MET A 13 16.831 26.863 -13.486 1.00 1.00 H new ATOM 0 HE1 MET A 13 21.109 26.158 -12.622 1.00 1.00 H new ATOM 0 HE2 MET A 13 19.838 25.288 -11.730 1.00 1.00 H new ATOM 0 HE3 MET A 13 19.840 25.280 -13.509 1.00 1.00 H new ATOM 217 N ALA A 14 17.972 24.971 -8.540 1.00 1.00 N ATOM 218 CA ALA A 14 18.581 25.182 -7.192 1.00 1.00 C ATOM 219 C ALA A 14 19.262 26.552 -7.115 1.00 1.00 C ATOM 220 O ALA A 14 20.169 26.851 -7.866 1.00 1.00 O ATOM 221 CB ALA A 14 19.614 24.066 -7.043 1.00 1.00 C ATOM 0 H ALA A 14 18.195 24.078 -8.981 1.00 1.00 H new ATOM 0 HA ALA A 14 17.832 25.158 -6.400 1.00 1.00 H new ATOM 0 HB1 ALA A 14 20.106 24.153 -6.074 1.00 1.00 H new ATOM 0 HB2 ALA A 14 19.117 23.098 -7.112 1.00 1.00 H new ATOM 0 HB3 ALA A 14 20.357 24.149 -7.836 1.00 1.00 H new ATOM 227 N ALA A 15 18.831 27.384 -6.208 1.00 1.00 N ATOM 228 CA ALA A 15 19.453 28.733 -6.078 1.00 1.00 C ATOM 229 C ALA A 15 20.785 28.629 -5.328 1.00 1.00 C ATOM 230 O ALA A 15 21.727 29.340 -5.615 1.00 1.00 O ATOM 231 CB ALA A 15 18.447 29.557 -5.274 1.00 1.00 C ATOM 0 H ALA A 15 18.075 27.189 -5.551 1.00 1.00 H new ATOM 0 HA ALA A 15 19.668 29.185 -7.046 1.00 1.00 H new ATOM 0 HB1 ALA A 15 18.833 30.567 -5.135 1.00 1.00 H new ATOM 0 HB2 ALA A 15 17.500 29.601 -5.812 1.00 1.00 H new ATOM 0 HB3 ALA A 15 18.290 29.091 -4.301 1.00 1.00 H new ATOM 237 N ASP A 16 20.869 27.748 -4.369 1.00 1.00 N ATOM 238 CA ASP A 16 22.139 27.599 -3.601 1.00 1.00 C ATOM 239 C ASP A 16 22.618 26.145 -3.649 1.00 1.00 C ATOM 240 O ASP A 16 22.085 25.329 -4.375 1.00 1.00 O ATOM 241 CB ASP A 16 21.783 27.997 -2.169 1.00 1.00 C ATOM 242 CG ASP A 16 22.837 28.967 -1.631 1.00 1.00 C ATOM 243 OD1 ASP A 16 23.222 29.860 -2.368 1.00 1.00 O ATOM 244 OD2 ASP A 16 23.239 28.800 -0.492 1.00 1.00 O ATOM 0 H ASP A 16 20.114 27.125 -4.084 1.00 1.00 H new ATOM 0 HA ASP A 16 22.943 28.213 -4.008 1.00 1.00 H new ATOM 0 HB2 ASP A 16 20.798 28.463 -2.144 1.00 1.00 H new ATOM 0 HB3 ASP A 16 21.732 27.111 -1.536 1.00 1.00 H new ATOM 249 N ALA A 17 23.620 25.815 -2.881 1.00 1.00 N ATOM 250 CA ALA A 17 24.130 24.413 -2.883 1.00 1.00 C ATOM 251 C ALA A 17 23.358 23.555 -1.872 1.00 1.00 C ATOM 252 O ALA A 17 23.743 22.443 -1.571 1.00 1.00 O ATOM 253 CB ALA A 17 25.599 24.526 -2.476 1.00 1.00 C ATOM 0 H ALA A 17 24.107 26.454 -2.253 1.00 1.00 H new ATOM 0 HA ALA A 17 24.008 23.936 -3.855 1.00 1.00 H new ATOM 0 HB1 ALA A 17 26.048 23.533 -2.454 1.00 1.00 H new ATOM 0 HB2 ALA A 17 26.130 25.148 -3.197 1.00 1.00 H new ATOM 0 HB3 ALA A 17 25.669 24.978 -1.487 1.00 1.00 H new ATOM 259 N ASP A 18 22.271 24.058 -1.348 1.00 1.00 N ATOM 260 CA ASP A 18 21.484 23.262 -0.362 1.00 1.00 C ATOM 261 C ASP A 18 20.623 22.226 -1.091 1.00 1.00 C ATOM 262 O ASP A 18 20.285 21.194 -0.548 1.00 1.00 O ATOM 263 CB ASP A 18 20.601 24.282 0.359 1.00 1.00 C ATOM 264 CG ASP A 18 21.070 24.432 1.807 1.00 1.00 C ATOM 265 OD1 ASP A 18 22.191 24.872 2.003 1.00 1.00 O ATOM 266 OD2 ASP A 18 20.300 24.106 2.696 1.00 1.00 O ATOM 0 H ASP A 18 21.896 24.983 -1.560 1.00 1.00 H new ATOM 0 HA ASP A 18 22.122 22.715 0.332 1.00 1.00 H new ATOM 0 HB2 ASP A 18 20.648 25.244 -0.151 1.00 1.00 H new ATOM 0 HB3 ASP A 18 19.560 23.959 0.335 1.00 1.00 H new ATOM 271 N GLU A 19 20.271 22.493 -2.319 1.00 1.00 N ATOM 272 CA GLU A 19 19.435 21.521 -3.083 1.00 1.00 C ATOM 273 C GLU A 19 20.035 21.282 -4.469 1.00 1.00 C ATOM 274 O GLU A 19 21.078 21.805 -4.806 1.00 1.00 O ATOM 275 CB GLU A 19 18.055 22.173 -3.208 1.00 1.00 C ATOM 276 CG GLU A 19 18.196 23.593 -3.763 1.00 1.00 C ATOM 277 CD GLU A 19 17.862 24.605 -2.665 1.00 1.00 C ATOM 278 OE1 GLU A 19 18.229 24.358 -1.529 1.00 1.00 O ATOM 279 OE2 GLU A 19 17.247 25.610 -2.980 1.00 1.00 O ATOM 0 H GLU A 19 20.525 23.340 -2.827 1.00 1.00 H new ATOM 0 HA GLU A 19 19.381 20.554 -2.583 1.00 1.00 H new ATOM 0 HB2 GLU A 19 17.421 21.578 -3.865 1.00 1.00 H new ATOM 0 HB3 GLU A 19 17.567 22.201 -2.234 1.00 1.00 H new ATOM 0 HG2 GLU A 19 19.212 23.754 -4.125 1.00 1.00 H new ATOM 0 HG3 GLU A 19 17.529 23.730 -4.614 1.00 1.00 H new ATOM 286 N VAL A 20 19.377 20.499 -5.275 1.00 1.00 N ATOM 287 CA VAL A 20 19.902 20.227 -6.645 1.00 1.00 C ATOM 288 C VAL A 20 18.936 20.783 -7.695 1.00 1.00 C ATOM 289 O VAL A 20 18.016 21.511 -7.378 1.00 1.00 O ATOM 290 CB VAL A 20 20.000 18.704 -6.748 1.00 1.00 C ATOM 291 CG1 VAL A 20 21.058 18.195 -5.766 1.00 1.00 C ATOM 292 CG2 VAL A 20 18.648 18.073 -6.407 1.00 1.00 C ATOM 0 H VAL A 20 18.498 20.034 -5.047 1.00 1.00 H new ATOM 0 HA VAL A 20 20.868 20.701 -6.819 1.00 1.00 H new ATOM 0 HB VAL A 20 20.280 18.430 -7.765 1.00 1.00 H new ATOM 0 HG11 VAL A 20 21.129 17.110 -5.838 1.00 1.00 H new ATOM 0 HG12 VAL A 20 22.023 18.639 -6.009 1.00 1.00 H new ATOM 0 HG13 VAL A 20 20.776 18.473 -4.751 1.00 1.00 H new ATOM 0 HG21 VAL A 20 18.724 16.988 -6.482 1.00 1.00 H new ATOM 0 HG22 VAL A 20 18.364 18.348 -5.391 1.00 1.00 H new ATOM 0 HG23 VAL A 20 17.892 18.433 -7.105 1.00 1.00 H new ATOM 302 N SER A 21 19.141 20.457 -8.942 1.00 1.00 N ATOM 303 CA SER A 21 18.235 20.983 -10.000 1.00 1.00 C ATOM 304 C SER A 21 17.804 19.863 -10.950 1.00 1.00 C ATOM 305 O SER A 21 18.621 19.192 -11.549 1.00 1.00 O ATOM 306 CB SER A 21 19.072 22.018 -10.745 1.00 1.00 C ATOM 307 OG SER A 21 20.366 21.484 -10.995 1.00 1.00 O ATOM 0 H SER A 21 19.893 19.852 -9.272 1.00 1.00 H new ATOM 0 HA SER A 21 17.321 21.407 -9.584 1.00 1.00 H new ATOM 0 HB2 SER A 21 18.589 22.285 -11.685 1.00 1.00 H new ATOM 0 HB3 SER A 21 19.151 22.932 -10.156 1.00 1.00 H new ATOM 0 HG SER A 21 20.295 20.523 -11.172 1.00 1.00 H new ATOM 313 N PHE A 22 16.523 19.666 -11.102 1.00 1.00 N ATOM 314 CA PHE A 22 16.034 18.599 -12.024 1.00 1.00 C ATOM 315 C PHE A 22 14.957 19.167 -12.954 1.00 1.00 C ATOM 316 O PHE A 22 14.354 20.185 -12.673 1.00 1.00 O ATOM 317 CB PHE A 22 15.455 17.498 -11.125 1.00 1.00 C ATOM 318 CG PHE A 22 14.523 18.090 -10.089 1.00 1.00 C ATOM 319 CD1 PHE A 22 13.324 18.698 -10.482 1.00 1.00 C ATOM 320 CD2 PHE A 22 14.862 18.024 -8.732 1.00 1.00 C ATOM 321 CE1 PHE A 22 12.466 19.240 -9.517 1.00 1.00 C ATOM 322 CE2 PHE A 22 14.004 18.566 -7.768 1.00 1.00 C ATOM 323 CZ PHE A 22 12.805 19.174 -8.161 1.00 1.00 C ATOM 0 H PHE A 22 15.793 20.197 -10.628 1.00 1.00 H new ATOM 0 HA PHE A 22 16.832 18.209 -12.656 1.00 1.00 H new ATOM 0 HB2 PHE A 22 14.917 16.771 -11.733 1.00 1.00 H new ATOM 0 HB3 PHE A 22 16.265 16.962 -10.630 1.00 1.00 H new ATOM 0 HD1 PHE A 22 13.061 18.749 -11.528 1.00 1.00 H new ATOM 0 HD2 PHE A 22 15.786 17.555 -8.429 1.00 1.00 H new ATOM 0 HE1 PHE A 22 11.542 19.709 -9.820 1.00 1.00 H new ATOM 0 HE2 PHE A 22 14.266 18.515 -6.722 1.00 1.00 H new ATOM 0 HZ PHE A 22 12.142 19.592 -7.418 1.00 1.00 H new ATOM 333 N LYS A 23 14.716 18.521 -14.063 1.00 1.00 N ATOM 334 CA LYS A 23 13.683 19.031 -15.012 1.00 1.00 C ATOM 335 C LYS A 23 12.419 18.170 -14.938 1.00 1.00 C ATOM 336 O LYS A 23 12.364 17.187 -14.226 1.00 1.00 O ATOM 337 CB LYS A 23 14.328 18.920 -16.394 1.00 1.00 C ATOM 338 CG LYS A 23 15.560 19.826 -16.457 1.00 1.00 C ATOM 339 CD LYS A 23 16.672 19.120 -17.238 1.00 1.00 C ATOM 340 CE LYS A 23 17.210 20.056 -18.323 1.00 1.00 C ATOM 341 NZ LYS A 23 18.582 20.419 -17.872 1.00 1.00 N ATOM 0 H LYS A 23 15.188 17.664 -14.353 1.00 1.00 H new ATOM 0 HA LYS A 23 13.381 20.053 -14.782 1.00 1.00 H new ATOM 0 HB2 LYS A 23 14.613 17.887 -16.592 1.00 1.00 H new ATOM 0 HB3 LYS A 23 13.613 19.207 -17.165 1.00 1.00 H new ATOM 0 HG2 LYS A 23 15.306 20.771 -16.938 1.00 1.00 H new ATOM 0 HG3 LYS A 23 15.902 20.063 -15.450 1.00 1.00 H new ATOM 0 HD2 LYS A 23 17.477 18.829 -16.563 1.00 1.00 H new ATOM 0 HD3 LYS A 23 16.289 18.205 -17.690 1.00 1.00 H new ATOM 0 HE2 LYS A 23 17.231 19.563 -19.295 1.00 1.00 H new ATOM 0 HE3 LYS A 23 16.582 20.941 -18.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 19.017 21.060 -18.566 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 18.530 20.893 -16.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 19.159 19.558 -17.787 1.00 1.00 H new ATOM 355 N ASP A 24 11.401 18.533 -15.671 1.00 1.00 N ATOM 356 CA ASP A 24 10.139 17.738 -15.645 1.00 1.00 C ATOM 357 C ASP A 24 10.378 16.346 -16.237 1.00 1.00 C ATOM 358 O ASP A 24 10.285 16.145 -17.432 1.00 1.00 O ATOM 359 CB ASP A 24 9.156 18.527 -16.510 1.00 1.00 C ATOM 360 CG ASP A 24 7.806 17.808 -16.534 1.00 1.00 C ATOM 361 OD1 ASP A 24 7.076 17.929 -15.565 1.00 1.00 O ATOM 362 OD2 ASP A 24 7.526 17.149 -17.522 1.00 1.00 O ATOM 0 H ASP A 24 11.389 19.346 -16.287 1.00 1.00 H new ATOM 0 HA ASP A 24 9.764 17.592 -14.632 1.00 1.00 H new ATOM 0 HB2 ASP A 24 9.036 19.536 -16.115 1.00 1.00 H new ATOM 0 HB3 ASP A 24 9.545 18.626 -17.523 1.00 1.00 H new ATOM 367 N GLY A 25 10.686 15.384 -15.411 1.00 1.00 N ATOM 368 CA GLY A 25 10.931 14.009 -15.928 1.00 1.00 C ATOM 369 C GLY A 25 11.831 13.250 -14.953 1.00 1.00 C ATOM 370 O GLY A 25 11.823 12.036 -14.901 1.00 1.00 O ATOM 0 H GLY A 25 10.778 15.491 -14.401 1.00 1.00 H new ATOM 0 HA2 GLY A 25 9.985 13.482 -16.052 1.00 1.00 H new ATOM 0 HA3 GLY A 25 11.400 14.057 -16.911 1.00 1.00 H new ATOM 374 N ASP A 26 12.608 13.956 -14.178 1.00 1.00 N ATOM 375 CA ASP A 26 13.509 13.273 -13.205 1.00 1.00 C ATOM 376 C ASP A 26 12.683 12.537 -12.148 1.00 1.00 C ATOM 377 O ASP A 26 11.469 12.599 -12.140 1.00 1.00 O ATOM 378 CB ASP A 26 14.324 14.396 -12.563 1.00 1.00 C ATOM 379 CG ASP A 26 15.707 13.868 -12.179 1.00 1.00 C ATOM 380 OD1 ASP A 26 15.772 12.783 -11.624 1.00 1.00 O ATOM 381 OD2 ASP A 26 16.678 14.557 -12.446 1.00 1.00 O ATOM 0 H ASP A 26 12.658 14.975 -14.176 1.00 1.00 H new ATOM 0 HA ASP A 26 14.147 12.530 -13.684 1.00 1.00 H new ATOM 0 HB2 ASP A 26 14.422 15.231 -13.257 1.00 1.00 H new ATOM 0 HB3 ASP A 26 13.809 14.774 -11.680 1.00 1.00 H new ATOM 386 N ALA A 27 13.330 11.839 -11.255 1.00 1.00 N ATOM 387 CA ALA A 27 12.581 11.099 -10.200 1.00 1.00 C ATOM 388 C ALA A 27 13.502 10.784 -9.018 1.00 1.00 C ATOM 389 O ALA A 27 14.710 10.865 -9.123 1.00 1.00 O ATOM 390 CB ALA A 27 12.116 9.809 -10.878 1.00 1.00 C ATOM 0 H ALA A 27 14.345 11.749 -11.210 1.00 1.00 H new ATOM 0 HA ALA A 27 11.745 11.676 -9.804 1.00 1.00 H new ATOM 0 HB1 ALA A 27 11.554 9.205 -10.165 1.00 1.00 H new ATOM 0 HB2 ALA A 27 11.479 10.054 -11.728 1.00 1.00 H new ATOM 0 HB3 ALA A 27 12.983 9.247 -11.225 1.00 1.00 H new ATOM 396 N ILE A 28 12.941 10.425 -7.896 1.00 1.00 N ATOM 397 CA ILE A 28 13.787 10.103 -6.707 1.00 1.00 C ATOM 398 C ILE A 28 13.558 8.644 -6.296 1.00 1.00 C ATOM 399 O ILE A 28 12.684 7.980 -6.814 1.00 1.00 O ATOM 400 CB ILE A 28 13.323 11.052 -5.593 1.00 1.00 C ATOM 401 CG1 ILE A 28 13.186 12.483 -6.134 1.00 1.00 C ATOM 402 CG2 ILE A 28 14.351 11.039 -4.461 1.00 1.00 C ATOM 403 CD1 ILE A 28 14.547 12.988 -6.620 1.00 1.00 C ATOM 0 H ILE A 28 11.935 10.340 -7.749 1.00 1.00 H new ATOM 0 HA ILE A 28 14.850 10.226 -6.914 1.00 1.00 H new ATOM 0 HB ILE A 28 12.354 10.718 -5.223 1.00 1.00 H new ATOM 0 HG12 ILE A 28 12.467 12.504 -6.953 1.00 1.00 H new ATOM 0 HG13 ILE A 28 12.801 13.141 -5.355 1.00 1.00 H new ATOM 0 HG21 ILE A 28 14.026 11.711 -3.667 1.00 1.00 H new ATOM 0 HG22 ILE A 28 14.443 10.028 -4.065 1.00 1.00 H new ATOM 0 HG23 ILE A 28 15.317 11.369 -4.843 1.00 1.00 H new ATOM 0 HD11 ILE A 28 14.443 14.003 -7.002 1.00 1.00 H new ATOM 0 HD12 ILE A 28 15.254 12.983 -5.791 1.00 1.00 H new ATOM 0 HD13 ILE A 28 14.914 12.337 -7.414 1.00 1.00 H new ATOM 415 N ILE A 29 14.332 8.137 -5.372 1.00 1.00 N ATOM 416 CA ILE A 29 14.144 6.719 -4.943 1.00 1.00 C ATOM 417 C ILE A 29 15.017 6.408 -3.712 1.00 1.00 C ATOM 418 O ILE A 29 14.630 5.647 -2.847 1.00 1.00 O ATOM 419 CB ILE A 29 14.535 5.887 -6.194 1.00 1.00 C ATOM 420 CG1 ILE A 29 13.305 5.121 -6.683 1.00 1.00 C ATOM 421 CG2 ILE A 29 15.661 4.879 -5.899 1.00 1.00 C ATOM 422 CD1 ILE A 29 12.832 4.163 -5.589 1.00 1.00 C ATOM 0 H ILE A 29 15.082 8.640 -4.898 1.00 1.00 H new ATOM 0 HA ILE A 29 13.126 6.491 -4.626 1.00 1.00 H new ATOM 0 HB ILE A 29 14.899 6.580 -6.952 1.00 1.00 H new ATOM 0 HG12 ILE A 29 12.508 5.818 -6.940 1.00 1.00 H new ATOM 0 HG13 ILE A 29 13.546 4.565 -7.589 1.00 1.00 H new ATOM 0 HG21 ILE A 29 15.898 4.322 -6.806 1.00 1.00 H new ATOM 0 HG22 ILE A 29 16.548 5.414 -5.560 1.00 1.00 H new ATOM 0 HG23 ILE A 29 15.335 4.187 -5.123 1.00 1.00 H new ATOM 0 HD11 ILE A 29 11.955 3.617 -5.938 1.00 1.00 H new ATOM 0 HD12 ILE A 29 13.629 3.458 -5.354 1.00 1.00 H new ATOM 0 HD13 ILE A 29 12.574 4.731 -4.695 1.00 1.00 H new ATOM 434 N ASN A 30 16.191 6.978 -3.637 1.00 1.00 N ATOM 435 CA ASN A 30 17.090 6.704 -2.474 1.00 1.00 C ATOM 436 C ASN A 30 16.324 6.802 -1.148 1.00 1.00 C ATOM 437 O ASN A 30 15.961 5.804 -0.558 1.00 1.00 O ATOM 438 CB ASN A 30 18.173 7.781 -2.547 1.00 1.00 C ATOM 439 CG ASN A 30 19.525 7.126 -2.824 1.00 1.00 C ATOM 440 OD1 ASN A 30 19.596 6.105 -3.479 1.00 1.00 O ATOM 441 ND2 ASN A 30 20.608 7.674 -2.351 1.00 1.00 N ATOM 0 H ASN A 30 16.568 7.623 -4.332 1.00 1.00 H new ATOM 0 HA ASN A 30 17.505 5.697 -2.515 1.00 1.00 H new ATOM 0 HB2 ASN A 30 17.936 8.497 -3.334 1.00 1.00 H new ATOM 0 HB3 ASN A 30 18.211 8.337 -1.610 1.00 1.00 H new ATOM 0 HD21 ASN A 30 21.516 7.246 -2.530 1.00 1.00 H new ATOM 0 HD22 ASN A 30 20.548 8.531 -1.801 1.00 1.00 H new ATOM 448 N VAL A 31 16.082 7.992 -0.671 1.00 1.00 N ATOM 449 CA VAL A 31 15.350 8.140 0.615 1.00 1.00 C ATOM 450 C VAL A 31 13.847 8.354 0.350 1.00 1.00 C ATOM 451 O VAL A 31 13.158 7.443 -0.065 1.00 1.00 O ATOM 452 CB VAL A 31 15.993 9.357 1.287 1.00 1.00 C ATOM 453 CG1 VAL A 31 15.388 9.544 2.677 1.00 1.00 C ATOM 454 CG2 VAL A 31 17.503 9.135 1.413 1.00 1.00 C ATOM 0 H VAL A 31 16.360 8.866 -1.117 1.00 1.00 H new ATOM 0 HA VAL A 31 15.417 7.256 1.249 1.00 1.00 H new ATOM 0 HB VAL A 31 15.808 10.246 0.685 1.00 1.00 H new ATOM 0 HG11 VAL A 31 15.843 10.409 3.159 1.00 1.00 H new ATOM 0 HG12 VAL A 31 14.313 9.702 2.588 1.00 1.00 H new ATOM 0 HG13 VAL A 31 15.575 8.654 3.278 1.00 1.00 H new ATOM 0 HG21 VAL A 31 17.960 10.002 1.891 1.00 1.00 H new ATOM 0 HG22 VAL A 31 17.691 8.247 2.016 1.00 1.00 H new ATOM 0 HG23 VAL A 31 17.935 8.999 0.421 1.00 1.00 H new ATOM 464 N GLN A 32 13.322 9.534 0.579 1.00 1.00 N ATOM 465 CA GLN A 32 11.868 9.760 0.328 1.00 1.00 C ATOM 466 C GLN A 32 11.512 11.229 0.578 1.00 1.00 C ATOM 467 O GLN A 32 12.340 12.109 0.444 1.00 1.00 O ATOM 468 CB GLN A 32 11.145 8.856 1.329 1.00 1.00 C ATOM 469 CG GLN A 32 9.939 8.204 0.651 1.00 1.00 C ATOM 470 CD GLN A 32 9.012 7.615 1.716 1.00 1.00 C ATOM 471 OE1 GLN A 32 9.467 6.994 2.657 1.00 1.00 O ATOM 472 NE2 GLN A 32 7.723 7.784 1.609 1.00 1.00 N ATOM 0 H GLN A 32 13.835 10.344 0.927 1.00 1.00 H new ATOM 0 HA GLN A 32 11.587 9.534 -0.701 1.00 1.00 H new ATOM 0 HB2 GLN A 32 11.825 8.089 1.700 1.00 1.00 H new ATOM 0 HB3 GLN A 32 10.820 9.438 2.191 1.00 1.00 H new ATOM 0 HG2 GLN A 32 9.402 8.941 0.053 1.00 1.00 H new ATOM 0 HG3 GLN A 32 10.271 7.421 -0.031 1.00 1.00 H new ATOM 0 HE21 GLN A 32 7.341 8.305 0.820 1.00 1.00 H new ATOM 0 HE22 GLN A 32 7.097 7.395 2.315 1.00 1.00 H new ATOM 481 N ALA A 33 10.287 11.502 0.938 1.00 1.00 N ATOM 482 CA ALA A 33 9.883 12.915 1.193 1.00 1.00 C ATOM 483 C ALA A 33 9.336 13.067 2.616 1.00 1.00 C ATOM 484 O ALA A 33 8.468 12.329 3.040 1.00 1.00 O ATOM 485 CB ALA A 33 8.788 13.204 0.165 1.00 1.00 C ATOM 0 H ALA A 33 9.549 10.809 1.066 1.00 1.00 H new ATOM 0 HA ALA A 33 10.722 13.605 1.103 1.00 1.00 H new ATOM 0 HB1 ALA A 33 8.436 14.228 0.287 1.00 1.00 H new ATOM 0 HB2 ALA A 33 9.189 13.075 -0.840 1.00 1.00 H new ATOM 0 HB3 ALA A 33 7.957 12.515 0.315 1.00 1.00 H new ATOM 491 N ILE A 34 9.835 14.020 3.354 1.00 1.00 N ATOM 492 CA ILE A 34 9.346 14.224 4.746 1.00 1.00 C ATOM 493 C ILE A 34 8.263 15.311 4.783 1.00 1.00 C ATOM 494 O ILE A 34 7.625 15.525 5.795 1.00 1.00 O ATOM 495 CB ILE A 34 10.580 14.672 5.529 1.00 1.00 C ATOM 496 CG1 ILE A 34 11.655 13.586 5.447 1.00 1.00 C ATOM 497 CG2 ILE A 34 10.199 14.904 6.990 1.00 1.00 C ATOM 498 CD1 ILE A 34 11.123 12.292 6.064 1.00 1.00 C ATOM 0 H ILE A 34 10.562 14.668 3.052 1.00 1.00 H new ATOM 0 HA ILE A 34 8.897 13.322 5.162 1.00 1.00 H new ATOM 0 HB ILE A 34 10.966 15.599 5.104 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.937 13.417 4.408 1.00 1.00 H new ATOM 0 HG13 ILE A 34 12.554 13.909 5.972 1.00 1.00 H new ATOM 0 HG21 ILE A 34 11.078 15.223 7.549 1.00 1.00 H new ATOM 0 HG22 ILE A 34 9.432 15.676 7.048 1.00 1.00 H new ATOM 0 HG23 ILE A 34 9.814 13.978 7.417 1.00 1.00 H new ATOM 0 HD11 ILE A 34 11.889 11.519 6.005 1.00 1.00 H new ATOM 0 HD12 ILE A 34 10.863 12.467 7.108 1.00 1.00 H new ATOM 0 HD13 ILE A 34 10.237 11.967 5.519 1.00 1.00 H new ATOM 510 N ASP A 35 8.048 16.000 3.688 1.00 1.00 N ATOM 511 CA ASP A 35 7.006 17.075 3.660 1.00 1.00 C ATOM 512 C ASP A 35 7.351 18.178 4.664 1.00 1.00 C ATOM 513 O ASP A 35 7.907 17.927 5.714 1.00 1.00 O ATOM 514 CB ASP A 35 5.692 16.389 4.044 1.00 1.00 C ATOM 515 CG ASP A 35 4.656 16.618 2.942 1.00 1.00 C ATOM 516 OD1 ASP A 35 4.952 16.297 1.803 1.00 1.00 O ATOM 517 OD2 ASP A 35 3.586 17.111 3.256 1.00 1.00 O ATOM 0 H ASP A 35 8.550 15.864 2.811 1.00 1.00 H new ATOM 0 HA ASP A 35 6.939 17.547 2.680 1.00 1.00 H new ATOM 0 HB2 ASP A 35 5.855 15.321 4.188 1.00 1.00 H new ATOM 0 HB3 ASP A 35 5.325 16.786 4.991 1.00 1.00 H new ATOM 522 N GLU A 36 7.026 19.402 4.347 1.00 1.00 N ATOM 523 CA GLU A 36 7.335 20.524 5.281 1.00 1.00 C ATOM 524 C GLU A 36 8.825 20.523 5.633 1.00 1.00 C ATOM 525 O GLU A 36 9.270 19.786 6.491 1.00 1.00 O ATOM 526 CB GLU A 36 6.489 20.250 6.526 1.00 1.00 C ATOM 527 CG GLU A 36 5.901 21.564 7.044 1.00 1.00 C ATOM 528 CD GLU A 36 7.034 22.491 7.486 1.00 1.00 C ATOM 529 OE1 GLU A 36 7.830 22.866 6.641 1.00 1.00 O ATOM 530 OE2 GLU A 36 7.087 22.810 8.662 1.00 1.00 O ATOM 0 H GLU A 36 6.560 19.674 3.482 1.00 1.00 H new ATOM 0 HA GLU A 36 7.112 21.498 4.844 1.00 1.00 H new ATOM 0 HB2 GLU A 36 5.688 19.550 6.287 1.00 1.00 H new ATOM 0 HB3 GLU A 36 7.100 19.784 7.298 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.309 22.042 6.264 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.229 21.369 7.880 1.00 1.00 H new ATOM 537 N GLY A 37 9.599 21.342 4.976 1.00 1.00 N ATOM 538 CA GLY A 37 11.058 21.387 5.272 1.00 1.00 C ATOM 539 C GLY A 37 11.829 20.719 4.134 1.00 1.00 C ATOM 540 O GLY A 37 12.907 20.193 4.328 1.00 1.00 O ATOM 0 H GLY A 37 9.284 21.982 4.247 1.00 1.00 H new ATOM 0 HA2 GLY A 37 11.384 22.420 5.389 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.265 20.878 6.214 1.00 1.00 H new ATOM 544 N TRP A 38 11.282 20.736 2.947 1.00 1.00 N ATOM 545 CA TRP A 38 11.978 20.104 1.788 1.00 1.00 C ATOM 546 C TRP A 38 12.318 18.643 2.100 1.00 1.00 C ATOM 547 O TRP A 38 12.171 18.183 3.215 1.00 1.00 O ATOM 548 CB TRP A 38 13.254 20.924 1.589 1.00 1.00 C ATOM 549 CG TRP A 38 12.923 22.202 0.889 1.00 1.00 C ATOM 550 CD1 TRP A 38 12.056 23.136 1.344 1.00 1.00 C ATOM 551 CD2 TRP A 38 13.437 22.704 -0.379 1.00 1.00 C ATOM 552 NE1 TRP A 38 12.003 24.178 0.436 1.00 1.00 N ATOM 553 CE2 TRP A 38 12.837 23.958 -0.643 1.00 1.00 C ATOM 554 CE3 TRP A 38 14.355 22.197 -1.316 1.00 1.00 C ATOM 555 CZ2 TRP A 38 13.137 24.684 -1.796 1.00 1.00 C ATOM 556 CZ3 TRP A 38 14.660 22.925 -2.478 1.00 1.00 C ATOM 557 CH2 TRP A 38 14.052 24.165 -2.717 1.00 1.00 C ATOM 0 H TRP A 38 10.381 21.162 2.730 1.00 1.00 H new ATOM 0 HA TRP A 38 11.357 20.098 0.892 1.00 1.00 H new ATOM 0 HB2 TRP A 38 13.717 21.135 2.553 1.00 1.00 H new ATOM 0 HB3 TRP A 38 13.977 20.354 1.005 1.00 1.00 H new ATOM 0 HD1 TRP A 38 11.497 23.077 2.266 1.00 1.00 H new ATOM 0 HE1 TRP A 38 11.420 25.007 0.549 1.00 1.00 H new ATOM 0 HE3 TRP A 38 14.828 21.242 -1.141 1.00 1.00 H new ATOM 0 HZ2 TRP A 38 12.666 25.639 -1.976 1.00 1.00 H new ATOM 0 HZ3 TRP A 38 15.367 22.527 -3.191 1.00 1.00 H new ATOM 0 HH2 TRP A 38 14.290 24.720 -3.613 1.00 1.00 H new ATOM 568 N MET A 39 12.772 17.909 1.121 1.00 1.00 N ATOM 569 CA MET A 39 13.123 16.480 1.360 1.00 1.00 C ATOM 570 C MET A 39 14.585 16.230 0.983 1.00 1.00 C ATOM 571 O MET A 39 15.347 17.152 0.769 1.00 1.00 O ATOM 572 CB MET A 39 12.190 15.681 0.449 1.00 1.00 C ATOM 573 CG MET A 39 12.436 16.079 -1.007 1.00 1.00 C ATOM 574 SD MET A 39 12.959 14.629 -1.957 1.00 1.00 S ATOM 575 CE MET A 39 11.380 13.745 -1.917 1.00 1.00 C ATOM 0 H MET A 39 12.915 18.237 0.166 1.00 1.00 H new ATOM 0 HA MET A 39 13.008 16.195 2.406 1.00 1.00 H new ATOM 0 HB2 MET A 39 12.364 14.613 0.580 1.00 1.00 H new ATOM 0 HB3 MET A 39 11.151 15.870 0.718 1.00 1.00 H new ATOM 0 HG2 MET A 39 11.527 16.499 -1.438 1.00 1.00 H new ATOM 0 HG3 MET A 39 13.201 16.854 -1.058 1.00 1.00 H new ATOM 0 HE1 MET A 39 11.555 12.700 -1.663 1.00 1.00 H new ATOM 0 HE2 MET A 39 10.729 14.197 -1.168 1.00 1.00 H new ATOM 0 HE3 MET A 39 10.904 13.806 -2.896 1.00 1.00 H new ATOM 585 N TYR A 40 14.984 14.990 0.901 1.00 1.00 N ATOM 586 CA TYR A 40 16.397 14.685 0.538 1.00 1.00 C ATOM 587 C TYR A 40 16.468 13.376 -0.253 1.00 1.00 C ATOM 588 O TYR A 40 15.721 12.450 -0.006 1.00 1.00 O ATOM 589 CB TYR A 40 17.127 14.546 1.874 1.00 1.00 C ATOM 590 CG TYR A 40 18.581 14.226 1.623 1.00 1.00 C ATOM 591 CD1 TYR A 40 19.411 15.173 1.011 1.00 1.00 C ATOM 592 CD2 TYR A 40 19.099 12.982 2.000 1.00 1.00 C ATOM 593 CE1 TYR A 40 20.759 14.876 0.777 1.00 1.00 C ATOM 594 CE2 TYR A 40 20.448 12.684 1.767 1.00 1.00 C ATOM 595 CZ TYR A 40 21.277 13.631 1.155 1.00 1.00 C ATOM 596 OH TYR A 40 22.606 13.339 0.925 1.00 1.00 O ATOM 0 H TYR A 40 14.393 14.176 1.070 1.00 1.00 H new ATOM 0 HA TYR A 40 16.840 15.459 -0.089 1.00 1.00 H new ATOM 0 HB2 TYR A 40 17.041 15.470 2.446 1.00 1.00 H new ATOM 0 HB3 TYR A 40 16.668 13.758 2.471 1.00 1.00 H new ATOM 0 HD1 TYR A 40 19.011 16.133 0.719 1.00 1.00 H new ATOM 0 HD2 TYR A 40 18.458 12.251 2.471 1.00 1.00 H new ATOM 0 HE1 TYR A 40 21.399 15.607 0.305 1.00 1.00 H new ATOM 0 HE2 TYR A 40 20.848 11.724 2.059 1.00 1.00 H new ATOM 0 HH TYR A 40 22.803 12.435 1.248 1.00 1.00 H new ATOM 606 N GLY A 41 17.360 13.292 -1.202 1.00 1.00 N ATOM 607 CA GLY A 41 17.476 12.042 -2.005 1.00 1.00 C ATOM 608 C GLY A 41 18.487 12.247 -3.135 1.00 1.00 C ATOM 609 O GLY A 41 19.043 13.315 -3.299 1.00 1.00 O ATOM 0 H GLY A 41 18.013 14.034 -1.456 1.00 1.00 H new ATOM 0 HA2 GLY A 41 17.792 11.216 -1.367 1.00 1.00 H new ATOM 0 HA3 GLY A 41 16.504 11.772 -2.418 1.00 1.00 H new ATOM 613 N THR A 42 18.728 11.229 -3.914 1.00 1.00 N ATOM 614 CA THR A 42 19.702 11.359 -5.035 1.00 1.00 C ATOM 615 C THR A 42 18.961 11.407 -6.375 1.00 1.00 C ATOM 616 O THR A 42 18.090 10.604 -6.641 1.00 1.00 O ATOM 617 CB THR A 42 20.573 10.102 -4.945 1.00 1.00 C ATOM 618 OG1 THR A 42 21.345 10.148 -3.754 1.00 1.00 O ATOM 619 CG2 THR A 42 21.505 10.026 -6.157 1.00 1.00 C ATOM 0 H THR A 42 18.292 10.311 -3.823 1.00 1.00 H new ATOM 0 HA THR A 42 20.294 12.272 -4.968 1.00 1.00 H new ATOM 0 HB THR A 42 19.932 9.220 -4.932 1.00 1.00 H new ATOM 0 HG1 THR A 42 22.013 9.431 -3.770 1.00 1.00 H new ATOM 0 HG21 THR A 42 22.121 9.130 -6.086 1.00 1.00 H new ATOM 0 HG22 THR A 42 20.912 9.987 -7.070 1.00 1.00 H new ATOM 0 HG23 THR A 42 22.147 10.907 -6.178 1.00 1.00 H new ATOM 627 N VAL A 43 19.304 12.339 -7.222 1.00 1.00 N ATOM 628 CA VAL A 43 18.622 12.429 -8.545 1.00 1.00 C ATOM 629 C VAL A 43 19.029 11.241 -9.420 1.00 1.00 C ATOM 630 O VAL A 43 20.197 10.950 -9.580 1.00 1.00 O ATOM 631 CB VAL A 43 19.113 13.742 -9.158 1.00 1.00 C ATOM 632 CG1 VAL A 43 18.422 13.967 -10.504 1.00 1.00 C ATOM 633 CG2 VAL A 43 18.781 14.901 -8.215 1.00 1.00 C ATOM 0 H VAL A 43 20.025 13.041 -7.056 1.00 1.00 H new ATOM 0 HA VAL A 43 17.536 12.406 -8.456 1.00 1.00 H new ATOM 0 HB VAL A 43 20.192 13.692 -9.307 1.00 1.00 H new ATOM 0 HG11 VAL A 43 18.772 14.902 -10.941 1.00 1.00 H new ATOM 0 HG12 VAL A 43 18.658 13.142 -11.176 1.00 1.00 H new ATOM 0 HG13 VAL A 43 17.343 14.017 -10.355 1.00 1.00 H new ATOM 0 HG21 VAL A 43 19.131 15.837 -8.651 1.00 1.00 H new ATOM 0 HG22 VAL A 43 17.702 14.951 -8.066 1.00 1.00 H new ATOM 0 HG23 VAL A 43 19.273 14.742 -7.256 1.00 1.00 H new ATOM 643 N GLN A 44 18.078 10.548 -9.980 1.00 1.00 N ATOM 644 CA GLN A 44 18.418 9.375 -10.836 1.00 1.00 C ATOM 645 C GLN A 44 19.052 9.833 -12.153 1.00 1.00 C ATOM 646 O GLN A 44 19.926 9.181 -12.691 1.00 1.00 O ATOM 647 CB GLN A 44 17.082 8.679 -11.097 1.00 1.00 C ATOM 648 CG GLN A 44 16.609 7.982 -9.820 1.00 1.00 C ATOM 649 CD GLN A 44 16.968 6.496 -9.887 1.00 1.00 C ATOM 650 OE1 GLN A 44 16.129 5.670 -10.189 1.00 1.00 O ATOM 651 NE2 GLN A 44 18.187 6.119 -9.617 1.00 1.00 N ATOM 0 H GLN A 44 17.081 10.741 -9.883 1.00 1.00 H new ATOM 0 HA GLN A 44 19.140 8.714 -10.357 1.00 1.00 H new ATOM 0 HB2 GLN A 44 16.339 9.407 -11.423 1.00 1.00 H new ATOM 0 HB3 GLN A 44 17.190 7.952 -11.902 1.00 1.00 H new ATOM 0 HG2 GLN A 44 17.076 8.441 -8.948 1.00 1.00 H new ATOM 0 HG3 GLN A 44 15.532 8.102 -9.705 1.00 1.00 H new ATOM 0 HE21 GLN A 44 18.891 6.812 -9.364 1.00 1.00 H new ATOM 0 HE22 GLN A 44 18.436 5.131 -9.659 1.00 1.00 H new ATOM 660 N ARG A 45 18.617 10.944 -12.681 1.00 1.00 N ATOM 661 CA ARG A 45 19.195 11.433 -13.967 1.00 1.00 C ATOM 662 C ARG A 45 20.679 11.771 -13.796 1.00 1.00 C ATOM 663 O ARG A 45 21.529 11.239 -14.481 1.00 1.00 O ATOM 664 CB ARG A 45 18.396 12.691 -14.308 1.00 1.00 C ATOM 665 CG ARG A 45 18.052 12.688 -15.798 1.00 1.00 C ATOM 666 CD ARG A 45 16.730 11.949 -16.015 1.00 1.00 C ATOM 667 NE ARG A 45 17.084 10.765 -16.844 1.00 1.00 N ATOM 668 CZ ARG A 45 17.405 10.919 -18.098 1.00 1.00 C ATOM 669 NH1 ARG A 45 16.478 11.160 -18.984 1.00 1.00 N ATOM 670 NH2 ARG A 45 18.653 10.832 -18.468 1.00 1.00 N ATOM 0 H ARG A 45 17.888 11.534 -12.280 1.00 1.00 H new ATOM 0 HA ARG A 45 19.133 10.682 -14.754 1.00 1.00 H new ATOM 0 HB2 ARG A 45 17.483 12.727 -13.713 1.00 1.00 H new ATOM 0 HB3 ARG A 45 18.974 13.581 -14.059 1.00 1.00 H new ATOM 0 HG2 ARG A 45 17.974 13.711 -16.166 1.00 1.00 H new ATOM 0 HG3 ARG A 45 18.848 12.205 -16.365 1.00 1.00 H new ATOM 0 HD2 ARG A 45 16.285 11.648 -15.066 1.00 1.00 H new ATOM 0 HD3 ARG A 45 16.002 12.582 -16.522 1.00 1.00 H new ATOM 0 HE ARG A 45 17.075 9.832 -16.431 1.00 1.00 H new ATOM 0 HH11 ARG A 45 15.502 11.228 -18.695 1.00 1.00 H new ATOM 0 HH12 ARG A 45 16.729 11.281 -19.965 1.00 1.00 H new ATOM 0 HH21 ARG A 45 19.378 10.643 -17.776 1.00 1.00 H new ATOM 0 HH22 ARG A 45 18.904 10.953 -19.449 1.00 1.00 H new ATOM 684 N THR A 46 20.995 12.658 -12.894 1.00 1.00 N ATOM 685 CA THR A 46 22.424 13.034 -12.688 1.00 1.00 C ATOM 686 C THR A 46 23.060 12.161 -11.603 1.00 1.00 C ATOM 687 O THR A 46 24.102 11.567 -11.803 1.00 1.00 O ATOM 688 CB THR A 46 22.384 14.497 -12.244 1.00 1.00 C ATOM 689 OG1 THR A 46 21.375 14.663 -11.258 1.00 1.00 O ATOM 690 CG2 THR A 46 22.076 15.389 -13.447 1.00 1.00 C ATOM 0 H THR A 46 20.328 13.139 -12.291 1.00 1.00 H new ATOM 0 HA THR A 46 23.020 12.893 -13.590 1.00 1.00 H new ATOM 0 HB THR A 46 23.351 14.777 -11.826 1.00 1.00 H new ATOM 0 HG1 THR A 46 21.349 15.600 -10.971 1.00 1.00 H new ATOM 0 HG21 THR A 46 22.048 16.431 -13.129 1.00 1.00 H new ATOM 0 HG22 THR A 46 22.851 15.261 -14.203 1.00 1.00 H new ATOM 0 HG23 THR A 46 21.109 15.112 -13.868 1.00 1.00 H new ATOM 698 N GLY A 47 22.448 12.080 -10.454 1.00 1.00 N ATOM 699 CA GLY A 47 23.026 11.248 -9.360 1.00 1.00 C ATOM 700 C GLY A 47 23.633 12.162 -8.295 1.00 1.00 C ATOM 701 O GLY A 47 24.529 11.777 -7.570 1.00 1.00 O ATOM 0 H GLY A 47 21.574 12.553 -10.225 1.00 1.00 H new ATOM 0 HA2 GLY A 47 22.253 10.620 -8.918 1.00 1.00 H new ATOM 0 HA3 GLY A 47 23.789 10.580 -9.760 1.00 1.00 H new ATOM 705 N ARG A 48 23.153 13.371 -8.195 1.00 1.00 N ATOM 706 CA ARG A 48 23.704 14.309 -7.176 1.00 1.00 C ATOM 707 C ARG A 48 22.847 14.277 -5.908 1.00 1.00 C ATOM 708 O ARG A 48 21.634 14.242 -5.968 1.00 1.00 O ATOM 709 CB ARG A 48 23.636 15.689 -7.831 1.00 1.00 C ATOM 710 CG ARG A 48 24.561 15.724 -9.049 1.00 1.00 C ATOM 711 CD ARG A 48 25.091 17.146 -9.245 1.00 1.00 C ATOM 712 NE ARG A 48 26.312 16.991 -10.082 1.00 1.00 N ATOM 713 CZ ARG A 48 26.739 17.990 -10.804 1.00 1.00 C ATOM 714 NH1 ARG A 48 27.510 18.899 -10.271 1.00 1.00 N ATOM 715 NH2 ARG A 48 26.394 18.083 -12.059 1.00 1.00 N ATOM 0 H ARG A 48 22.404 13.750 -8.774 1.00 1.00 H new ATOM 0 HA ARG A 48 24.720 14.046 -6.880 1.00 1.00 H new ATOM 0 HB2 ARG A 48 22.612 15.910 -8.133 1.00 1.00 H new ATOM 0 HB3 ARG A 48 23.930 16.457 -7.116 1.00 1.00 H new ATOM 0 HG2 ARG A 48 25.391 15.031 -8.909 1.00 1.00 H new ATOM 0 HG3 ARG A 48 24.021 15.400 -9.939 1.00 1.00 H new ATOM 0 HD2 ARG A 48 24.352 17.778 -9.738 1.00 1.00 H new ATOM 0 HD3 ARG A 48 25.325 17.615 -8.289 1.00 1.00 H new ATOM 0 HE ARG A 48 26.815 16.104 -10.091 1.00 1.00 H new ATOM 0 HH11 ARG A 48 27.779 18.828 -9.290 1.00 1.00 H new ATOM 0 HH12 ARG A 48 27.844 19.680 -10.836 1.00 1.00 H new ATOM 0 HH21 ARG A 48 25.790 17.374 -12.476 1.00 1.00 H new ATOM 0 HH22 ARG A 48 26.728 18.864 -12.623 1.00 1.00 H new ATOM 729 N THR A 49 23.468 14.291 -4.761 1.00 1.00 N ATOM 730 CA THR A 49 22.687 14.263 -3.490 1.00 1.00 C ATOM 731 C THR A 49 22.418 15.690 -3.004 1.00 1.00 C ATOM 732 O THR A 49 23.292 16.535 -3.016 1.00 1.00 O ATOM 733 CB THR A 49 23.574 13.515 -2.491 1.00 1.00 C ATOM 734 OG1 THR A 49 24.940 13.772 -2.785 1.00 1.00 O ATOM 735 CG2 THR A 49 23.303 12.013 -2.590 1.00 1.00 C ATOM 0 H THR A 49 24.481 14.321 -4.648 1.00 1.00 H new ATOM 0 HA THR A 49 21.718 13.780 -3.613 1.00 1.00 H new ATOM 0 HB THR A 49 23.350 13.857 -1.481 1.00 1.00 H new ATOM 0 HG1 THR A 49 25.508 13.295 -2.145 1.00 1.00 H new ATOM 0 HG21 THR A 49 23.935 11.482 -1.878 1.00 1.00 H new ATOM 0 HG22 THR A 49 22.255 11.817 -2.362 1.00 1.00 H new ATOM 0 HG23 THR A 49 23.525 11.669 -3.600 1.00 1.00 H new ATOM 743 N GLY A 50 21.216 15.965 -2.576 1.00 1.00 N ATOM 744 CA GLY A 50 20.894 17.336 -2.090 1.00 1.00 C ATOM 745 C GLY A 50 19.429 17.393 -1.654 1.00 1.00 C ATOM 746 O GLY A 50 18.698 16.430 -1.777 1.00 1.00 O ATOM 0 H GLY A 50 20.444 15.300 -2.542 1.00 1.00 H new ATOM 0 HA2 GLY A 50 21.543 17.599 -1.255 1.00 1.00 H new ATOM 0 HA3 GLY A 50 21.078 18.065 -2.879 1.00 1.00 H new ATOM 750 N MET A 51 18.993 18.513 -1.148 1.00 1.00 N ATOM 751 CA MET A 51 17.572 18.628 -0.708 1.00 1.00 C ATOM 752 C MET A 51 16.676 18.939 -1.909 1.00 1.00 C ATOM 753 O MET A 51 17.104 19.538 -2.875 1.00 1.00 O ATOM 754 CB MET A 51 17.557 19.788 0.289 1.00 1.00 C ATOM 755 CG MET A 51 18.310 19.384 1.559 1.00 1.00 C ATOM 756 SD MET A 51 17.183 18.526 2.686 1.00 1.00 S ATOM 757 CE MET A 51 18.422 18.026 3.907 1.00 1.00 C ATOM 0 H MET A 51 19.557 19.353 -1.020 1.00 1.00 H new ATOM 0 HA MET A 51 17.200 17.706 -0.262 1.00 1.00 H new ATOM 0 HB2 MET A 51 18.020 20.669 -0.156 1.00 1.00 H new ATOM 0 HB3 MET A 51 16.529 20.057 0.534 1.00 1.00 H new ATOM 0 HG2 MET A 51 19.150 18.737 1.306 1.00 1.00 H new ATOM 0 HG3 MET A 51 18.724 20.267 2.045 1.00 1.00 H new ATOM 0 HE1 MET A 51 17.938 17.470 4.710 1.00 1.00 H new ATOM 0 HE2 MET A 51 19.170 17.394 3.428 1.00 1.00 H new ATOM 0 HE3 MET A 51 18.905 18.912 4.319 1.00 1.00 H new ATOM 767 N LEU A 52 15.435 18.537 -1.859 1.00 1.00 N ATOM 768 CA LEU A 52 14.519 18.813 -3.006 1.00 1.00 C ATOM 769 C LEU A 52 13.235 19.481 -2.500 1.00 1.00 C ATOM 770 O LEU A 52 12.929 19.415 -1.325 1.00 1.00 O ATOM 771 CB LEU A 52 14.190 17.446 -3.631 1.00 1.00 C ATOM 772 CG LEU A 52 15.435 16.548 -3.687 1.00 1.00 C ATOM 773 CD1 LEU A 52 15.109 15.278 -4.476 1.00 1.00 C ATOM 774 CD2 LEU A 52 16.583 17.292 -4.373 1.00 1.00 C ATOM 0 H LEU A 52 15.016 18.032 -1.078 1.00 1.00 H new ATOM 0 HA LEU A 52 14.979 19.483 -3.733 1.00 1.00 H new ATOM 0 HB2 LEU A 52 13.410 16.955 -3.049 1.00 1.00 H new ATOM 0 HB3 LEU A 52 13.795 17.588 -4.637 1.00 1.00 H new ATOM 0 HG LEU A 52 15.734 16.285 -2.672 1.00 1.00 H new ATOM 0 HD11 LEU A 52 15.991 14.639 -4.517 1.00 1.00 H new ATOM 0 HD12 LEU A 52 14.296 14.743 -3.985 1.00 1.00 H new ATOM 0 HD13 LEU A 52 14.807 15.546 -5.489 1.00 1.00 H new ATOM 0 HD21 LEU A 52 17.463 16.649 -4.409 1.00 1.00 H new ATOM 0 HD22 LEU A 52 16.288 17.561 -5.387 1.00 1.00 H new ATOM 0 HD23 LEU A 52 16.817 18.196 -3.812 1.00 1.00 H new ATOM 786 N PRO A 53 12.518 20.103 -3.404 1.00 1.00 N ATOM 787 CA PRO A 53 11.254 20.780 -3.029 1.00 1.00 C ATOM 788 C PRO A 53 10.152 19.746 -2.780 1.00 1.00 C ATOM 789 O PRO A 53 9.739 19.038 -3.677 1.00 1.00 O ATOM 790 CB PRO A 53 10.928 21.635 -4.250 1.00 1.00 C ATOM 791 CG PRO A 53 11.610 20.955 -5.396 1.00 1.00 C ATOM 792 CD PRO A 53 12.810 20.234 -4.839 1.00 1.00 C ATOM 0 HA PRO A 53 11.337 21.367 -2.114 1.00 1.00 H new ATOM 0 HB2 PRO A 53 9.852 21.697 -4.412 1.00 1.00 H new ATOM 0 HB3 PRO A 53 11.290 22.655 -4.125 1.00 1.00 H new ATOM 0 HG2 PRO A 53 10.933 20.254 -5.885 1.00 1.00 H new ATOM 0 HG3 PRO A 53 11.914 21.682 -6.149 1.00 1.00 H new ATOM 0 HD2 PRO A 53 12.943 19.260 -5.309 1.00 1.00 H new ATOM 0 HD3 PRO A 53 13.727 20.797 -5.009 1.00 1.00 H new ATOM 800 N ALA A 54 9.675 19.650 -1.569 1.00 1.00 N ATOM 801 CA ALA A 54 8.603 18.658 -1.266 1.00 1.00 C ATOM 802 C ALA A 54 7.254 19.143 -1.808 1.00 1.00 C ATOM 803 O ALA A 54 6.321 18.377 -1.947 1.00 1.00 O ATOM 804 CB ALA A 54 8.565 18.569 0.260 1.00 1.00 C ATOM 0 H ALA A 54 9.981 20.215 -0.777 1.00 1.00 H new ATOM 0 HA ALA A 54 8.798 17.690 -1.728 1.00 1.00 H new ATOM 0 HB1 ALA A 54 7.798 17.856 0.564 1.00 1.00 H new ATOM 0 HB2 ALA A 54 9.535 18.237 0.629 1.00 1.00 H new ATOM 0 HB3 ALA A 54 8.334 19.550 0.676 1.00 1.00 H new ATOM 810 N ASN A 55 7.140 20.407 -2.112 1.00 1.00 N ATOM 811 CA ASN A 55 5.847 20.933 -2.639 1.00 1.00 C ATOM 812 C ASN A 55 5.806 20.847 -4.172 1.00 1.00 C ATOM 813 O ASN A 55 4.783 21.084 -4.784 1.00 1.00 O ATOM 814 CB ASN A 55 5.804 22.393 -2.186 1.00 1.00 C ATOM 815 CG ASN A 55 5.666 22.451 -0.664 1.00 1.00 C ATOM 816 OD1 ASN A 55 6.308 21.701 0.045 1.00 1.00 O ATOM 817 ND2 ASN A 55 4.849 23.316 -0.128 1.00 1.00 N ATOM 0 H ASN A 55 7.885 21.098 -2.019 1.00 1.00 H new ATOM 0 HA ASN A 55 4.995 20.360 -2.273 1.00 1.00 H new ATOM 0 HB2 ASN A 55 6.712 22.909 -2.499 1.00 1.00 H new ATOM 0 HB3 ASN A 55 4.966 22.907 -2.658 1.00 1.00 H new ATOM 0 HD21 ASN A 55 4.749 23.363 0.886 1.00 1.00 H new ATOM 0 HD22 ASN A 55 4.310 23.945 -0.723 1.00 1.00 H new ATOM 824 N TYR A 56 6.902 20.510 -4.798 1.00 1.00 N ATOM 825 CA TYR A 56 6.909 20.414 -6.288 1.00 1.00 C ATOM 826 C TYR A 56 6.756 18.955 -6.720 1.00 1.00 C ATOM 827 O TYR A 56 5.811 18.591 -7.392 1.00 1.00 O ATOM 828 CB TYR A 56 8.274 20.967 -6.709 1.00 1.00 C ATOM 829 CG TYR A 56 8.185 22.466 -6.925 1.00 1.00 C ATOM 830 CD1 TYR A 56 7.354 23.253 -6.113 1.00 1.00 C ATOM 831 CD2 TYR A 56 8.938 23.068 -7.940 1.00 1.00 C ATOM 832 CE1 TYR A 56 7.279 24.635 -6.318 1.00 1.00 C ATOM 833 CE2 TYR A 56 8.862 24.451 -8.144 1.00 1.00 C ATOM 834 CZ TYR A 56 8.033 25.235 -7.333 1.00 1.00 C ATOM 835 OH TYR A 56 7.958 26.598 -7.535 1.00 1.00 O ATOM 0 H TYR A 56 7.790 20.298 -4.344 1.00 1.00 H new ATOM 0 HA TYR A 56 6.089 20.965 -6.748 1.00 1.00 H new ATOM 0 HB2 TYR A 56 9.017 20.746 -5.943 1.00 1.00 H new ATOM 0 HB3 TYR A 56 8.606 20.479 -7.625 1.00 1.00 H new ATOM 0 HD1 TYR A 56 6.772 22.791 -5.329 1.00 1.00 H new ATOM 0 HD2 TYR A 56 9.578 22.465 -8.566 1.00 1.00 H new ATOM 0 HE1 TYR A 56 6.639 25.239 -5.692 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.444 24.913 -8.928 1.00 1.00 H new ATOM 0 HH TYR A 56 8.545 26.851 -8.278 1.00 1.00 H new ATOM 845 N VAL A 57 7.675 18.115 -6.335 1.00 1.00 N ATOM 846 CA VAL A 57 7.580 16.678 -6.717 1.00 1.00 C ATOM 847 C VAL A 57 6.431 16.012 -5.955 1.00 1.00 C ATOM 848 O VAL A 57 5.942 16.534 -4.974 1.00 1.00 O ATOM 849 CB VAL A 57 8.921 16.073 -6.303 1.00 1.00 C ATOM 850 CG1 VAL A 57 10.044 16.722 -7.115 1.00 1.00 C ATOM 851 CG2 VAL A 57 9.156 16.327 -4.812 1.00 1.00 C ATOM 0 H VAL A 57 8.489 18.361 -5.772 1.00 1.00 H new ATOM 0 HA VAL A 57 7.382 16.539 -7.780 1.00 1.00 H new ATOM 0 HB VAL A 57 8.910 14.999 -6.491 1.00 1.00 H new ATOM 0 HG11 VAL A 57 11.001 16.292 -6.821 1.00 1.00 H new ATOM 0 HG12 VAL A 57 9.876 16.542 -8.177 1.00 1.00 H new ATOM 0 HG13 VAL A 57 10.056 17.796 -6.926 1.00 1.00 H new ATOM 0 HG21 VAL A 57 10.112 15.896 -4.516 1.00 1.00 H new ATOM 0 HG22 VAL A 57 9.168 17.400 -4.623 1.00 1.00 H new ATOM 0 HG23 VAL A 57 8.355 15.866 -4.234 1.00 1.00 H new ATOM 861 N GLU A 58 5.992 14.865 -6.396 1.00 1.00 N ATOM 862 CA GLU A 58 4.873 14.180 -5.687 1.00 1.00 C ATOM 863 C GLU A 58 4.819 12.700 -6.076 1.00 1.00 C ATOM 864 O GLU A 58 5.643 12.214 -6.824 1.00 1.00 O ATOM 865 CB GLU A 58 3.610 14.905 -6.153 1.00 1.00 C ATOM 866 CG GLU A 58 3.528 14.854 -7.680 1.00 1.00 C ATOM 867 CD GLU A 58 2.309 15.648 -8.153 1.00 1.00 C ATOM 868 OE1 GLU A 58 2.326 16.860 -8.015 1.00 1.00 O ATOM 869 OE2 GLU A 58 1.379 15.031 -8.645 1.00 1.00 O ATOM 0 H GLU A 58 6.357 14.374 -7.212 1.00 1.00 H new ATOM 0 HA GLU A 58 4.989 14.215 -4.604 1.00 1.00 H new ATOM 0 HB2 GLU A 58 2.727 14.439 -5.715 1.00 1.00 H new ATOM 0 HB3 GLU A 58 3.626 15.941 -5.813 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.437 15.268 -8.117 1.00 1.00 H new ATOM 0 HG3 GLU A 58 3.454 13.820 -8.016 1.00 1.00 H new ATOM 876 N ALA A 59 3.854 11.981 -5.570 1.00 1.00 N ATOM 877 CA ALA A 59 3.748 10.533 -5.907 1.00 1.00 C ATOM 878 C ALA A 59 3.048 10.353 -7.257 1.00 1.00 C ATOM 879 O ALA A 59 2.492 11.282 -7.808 1.00 1.00 O ATOM 880 CB ALA A 59 2.907 9.925 -4.784 1.00 1.00 C ATOM 0 H ALA A 59 3.135 12.334 -4.938 1.00 1.00 H new ATOM 0 HA ALA A 59 4.725 10.057 -5.989 1.00 1.00 H new ATOM 0 HB1 ALA A 59 2.783 8.856 -4.960 1.00 1.00 H new ATOM 0 HB2 ALA A 59 3.409 10.080 -3.829 1.00 1.00 H new ATOM 0 HB3 ALA A 59 1.929 10.405 -4.761 1.00 1.00 H new ATOM 886 N ILE A 60 3.070 9.163 -7.792 1.00 1.00 N ATOM 887 CA ILE A 60 2.406 8.923 -9.104 1.00 1.00 C ATOM 888 C ILE A 60 1.595 7.625 -9.057 1.00 1.00 C ATOM 889 O ILE A 60 1.305 7.092 -10.115 1.00 1.00 O ATOM 890 CB ILE A 60 3.549 8.806 -10.112 1.00 1.00 C ATOM 891 CG1 ILE A 60 4.515 7.707 -9.662 1.00 1.00 C ATOM 892 CG2 ILE A 60 4.298 10.138 -10.193 1.00 1.00 C ATOM 893 CD1 ILE A 60 5.405 7.297 -10.837 1.00 1.00 C ATOM 894 OXT ILE A 60 1.276 7.189 -7.963 1.00 1.00 O ATOM 0 H ILE A 60 3.519 8.347 -7.377 1.00 1.00 H new ATOM 0 HA ILE A 60 1.712 9.721 -9.367 1.00 1.00 H new ATOM 0 HB ILE A 60 3.143 8.557 -11.092 1.00 1.00 H new ATOM 0 HG12 ILE A 60 5.128 8.064 -8.835 1.00 1.00 H new ATOM 0 HG13 ILE A 60 3.957 6.845 -9.297 1.00 1.00 H new ATOM 0 HG21 ILE A 60 5.113 10.054 -10.912 1.00 1.00 H new ATOM 0 HG22 ILE A 60 3.612 10.922 -10.512 1.00 1.00 H new ATOM 0 HG23 ILE A 60 4.703 10.388 -9.212 1.00 1.00 H new ATOM 0 HD11 ILE A 60 6.093 6.514 -10.517 1.00 1.00 H new ATOM 0 HD12 ILE A 60 4.784 6.923 -11.651 1.00 1.00 H new ATOM 0 HD13 ILE A 60 5.973 8.161 -11.182 1.00 1.00 H new