USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 60 ASN : amide:sc= -1.84! C(o=-1.8!,f=-15!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 156:sc= -2.24! (180deg=-3.83!) USER MOD Set 2.2: A 34 THR OG1 : rot 180:sc= 0.0059 USER MOD Single : A 5 THR OG1 : rot -160:sc= 0.113 USER MOD Single : A 8 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.44) USER MOD Single : A 10 SER OG : rot 79:sc= 0.619 USER MOD Single : A 13 LYS NZ :NH3+ -170:sc=-0.00198 (180deg=-0.153) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 0:sc= -3.96! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.259) USER MOD Single : A 36 MET CE :methyl 162:sc= -0.182 (180deg=-0.766) USER MOD Single : A 38 SER OG : rot 8:sc= 0.369 USER MOD Single : A 41 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.47) USER MOD Single : A 42 ASN : amide:sc= 0.12 K(o=0.12,f=-0.72) USER MOD Single : A 44 THR OG1 : rot -140:sc= -1.49! USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 MET CE :methyl 169:sc= 0 (180deg=-0.156) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.2) USER MOD Single : A 72 MET CE :methyl 180:sc= -0.021 (180deg=-0.021) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -15.931 -7.167 -5.354 1.00 0.00 N ATOM 62 CA THR A 5 -16.664 -7.676 -4.187 1.00 0.00 C ATOM 63 C THR A 5 -16.272 -6.931 -2.918 1.00 0.00 C ATOM 64 O THR A 5 -15.373 -6.090 -2.923 1.00 0.00 O ATOM 65 CB THR A 5 -16.378 -9.165 -3.981 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.120 -9.320 -3.344 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.365 -9.888 -5.328 1.00 0.00 C ATOM 0 HA THR A 5 -17.725 -7.521 -4.382 1.00 0.00 H new ATOM 0 HB THR A 5 -17.160 -9.596 -3.356 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.789 -10.230 -3.492 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.161 -10.947 -5.171 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.335 -9.774 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.590 -9.459 -5.963 1.00 0.00 H new ATOM 75 N ASP A 6 -16.939 -7.279 -1.825 1.00 0.00 N ATOM 76 CA ASP A 6 -16.646 -6.684 -0.529 1.00 0.00 C ATOM 77 C ASP A 6 -15.403 -7.331 0.056 1.00 0.00 C ATOM 78 O ASP A 6 -14.667 -6.724 0.833 1.00 0.00 O ATOM 79 CB ASP A 6 -17.820 -6.899 0.424 1.00 0.00 C ATOM 80 CG ASP A 6 -18.203 -8.377 0.448 1.00 0.00 C ATOM 81 OD1 ASP A 6 -17.826 -9.081 -0.472 1.00 0.00 O ATOM 82 OD2 ASP A 6 -18.867 -8.780 1.388 1.00 0.00 O ATOM 0 H ASP A 6 -17.688 -7.972 -1.811 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.480 -5.615 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.552 -6.567 1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.672 -6.298 0.107 1.00 0.00 H new ATOM 87 N GLU A 7 -15.196 -8.586 -0.321 1.00 0.00 N ATOM 88 CA GLU A 7 -14.060 -9.349 0.170 1.00 0.00 C ATOM 89 C GLU A 7 -12.751 -8.717 -0.277 1.00 0.00 C ATOM 90 O GLU A 7 -11.817 -8.585 0.508 1.00 0.00 O ATOM 91 CB GLU A 7 -14.128 -10.779 -0.364 1.00 0.00 C ATOM 92 CG GLU A 7 -15.336 -11.496 0.233 1.00 0.00 C ATOM 93 CD GLU A 7 -15.441 -12.902 -0.348 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.618 -13.238 -1.184 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.339 -13.624 0.054 1.00 0.00 O ATOM 0 H GLU A 7 -15.801 -9.096 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.099 -9.354 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.201 -10.768 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.213 -11.315 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.241 -11.547 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.246 -10.935 0.019 1.00 0.00 H new ATOM 102 N GLN A 8 -12.690 -8.315 -1.538 1.00 0.00 N ATOM 103 CA GLN A 8 -11.486 -7.691 -2.062 1.00 0.00 C ATOM 104 C GLN A 8 -11.316 -6.308 -1.455 1.00 0.00 C ATOM 105 O GLN A 8 -10.206 -5.811 -1.305 1.00 0.00 O ATOM 106 CB GLN A 8 -11.568 -7.598 -3.592 1.00 0.00 C ATOM 107 CG GLN A 8 -11.533 -9.005 -4.202 1.00 0.00 C ATOM 108 CD GLN A 8 -10.185 -9.669 -3.936 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.139 -9.062 -4.158 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.148 -10.891 -3.476 1.00 0.00 N ATOM 0 H GLN A 8 -13.451 -8.408 -2.210 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.621 -8.299 -1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.485 -7.087 -3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.737 -7.005 -3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.334 -9.611 -3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.711 -8.947 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.017 -11.393 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.251 -11.343 -3.300 1.00 0.00 H new ATOM 119 N ILE A 9 -12.428 -5.714 -1.060 1.00 0.00 N ATOM 120 CA ILE A 9 -12.393 -4.396 -0.436 1.00 0.00 C ATOM 121 C ILE A 9 -12.053 -4.526 1.042 1.00 0.00 C ATOM 122 O ILE A 9 -11.095 -3.925 1.524 1.00 0.00 O ATOM 123 CB ILE A 9 -13.742 -3.707 -0.618 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.965 -3.438 -2.109 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.743 -2.379 0.143 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.417 -3.030 -2.348 1.00 0.00 C ATOM 0 H ILE A 9 -13.360 -6.116 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.622 -3.791 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.538 -4.345 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.295 -2.649 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.728 -4.330 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.707 -1.886 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.571 -2.567 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.952 -1.737 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.571 -2.840 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.079 -3.833 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.639 -2.126 -1.781 1.00 0.00 H new ATOM 138 N SER A 10 -12.848 -5.298 1.771 1.00 0.00 N ATOM 139 CA SER A 10 -12.600 -5.468 3.180 1.00 0.00 C ATOM 140 C SER A 10 -11.207 -6.054 3.403 1.00 0.00 C ATOM 141 O SER A 10 -10.467 -5.588 4.266 1.00 0.00 O ATOM 142 CB SER A 10 -13.655 -6.395 3.767 1.00 0.00 C ATOM 143 OG SER A 10 -14.946 -5.855 3.521 1.00 0.00 O ATOM 0 H SER A 10 -13.656 -5.805 1.409 1.00 0.00 H new ATOM 0 HA SER A 10 -12.652 -4.498 3.675 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.572 -7.386 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.496 -6.513 4.839 1.00 0.00 H new ATOM 0 HG SER A 10 -15.207 -6.040 2.595 1.00 0.00 H new ATOM 149 N GLU A 11 -10.847 -7.065 2.610 1.00 0.00 N ATOM 150 CA GLU A 11 -9.531 -7.682 2.741 1.00 0.00 C ATOM 151 C GLU A 11 -8.450 -6.648 2.474 1.00 0.00 C ATOM 152 O GLU A 11 -7.436 -6.602 3.173 1.00 0.00 O ATOM 153 CB GLU A 11 -9.393 -8.846 1.752 1.00 0.00 C ATOM 154 CG GLU A 11 -8.083 -9.602 2.000 1.00 0.00 C ATOM 155 CD GLU A 11 -6.905 -8.828 1.422 1.00 0.00 C ATOM 156 OE1 GLU A 11 -6.821 -8.736 0.209 1.00 0.00 O ATOM 157 OE2 GLU A 11 -6.106 -8.336 2.201 1.00 0.00 O ATOM 0 H GLU A 11 -11.439 -7.467 1.883 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.419 -8.066 3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.239 -9.525 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.415 -8.468 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.939 -9.751 3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.135 -10.591 1.545 1.00 0.00 H new ATOM 164 N PHE A 12 -8.684 -5.794 1.483 1.00 0.00 N ATOM 165 CA PHE A 12 -7.742 -4.740 1.155 1.00 0.00 C ATOM 166 C PHE A 12 -7.620 -3.767 2.335 1.00 0.00 C ATOM 167 O PHE A 12 -6.522 -3.382 2.737 1.00 0.00 O ATOM 168 CB PHE A 12 -8.284 -3.999 -0.078 1.00 0.00 C ATOM 169 CG PHE A 12 -7.900 -4.694 -1.371 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.615 -6.071 -1.425 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.861 -3.939 -2.543 1.00 0.00 C ATOM 172 CE1 PHE A 12 -7.286 -6.665 -2.651 1.00 0.00 C ATOM 173 CE2 PHE A 12 -7.540 -4.530 -3.757 1.00 0.00 C ATOM 174 CZ PHE A 12 -7.247 -5.888 -3.816 1.00 0.00 C ATOM 0 H PHE A 12 -9.518 -5.814 0.896 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.756 -5.157 0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.370 -3.930 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.900 -2.979 -0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.650 -6.668 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.083 -2.883 -2.505 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.063 -7.721 -2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.518 -3.934 -4.657 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.989 -6.344 -4.760 1.00 0.00 H new ATOM 184 N LYS A 13 -8.772 -3.384 2.866 1.00 0.00 N ATOM 185 CA LYS A 13 -8.854 -2.447 3.982 1.00 0.00 C ATOM 186 C LYS A 13 -8.188 -3.006 5.237 1.00 0.00 C ATOM 187 O LYS A 13 -7.442 -2.302 5.918 1.00 0.00 O ATOM 188 CB LYS A 13 -10.330 -2.161 4.250 1.00 0.00 C ATOM 189 CG LYS A 13 -10.481 -0.960 5.183 1.00 0.00 C ATOM 190 CD LYS A 13 -11.971 -0.624 5.314 1.00 0.00 C ATOM 191 CE LYS A 13 -12.152 0.674 6.102 1.00 0.00 C ATOM 192 NZ LYS A 13 -11.692 0.481 7.505 1.00 0.00 N ATOM 0 H LYS A 13 -9.679 -3.714 2.536 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.325 -1.530 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.845 -1.966 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.801 -3.037 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.057 -1.186 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.934 -0.104 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.417 -0.523 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.492 -1.439 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.586 1.478 5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.200 0.974 6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.971 1.303 8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.127 -0.378 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.657 0.383 7.521 1.00 0.00 H new ATOM 206 N GLU A 14 -8.447 -4.273 5.538 1.00 0.00 N ATOM 207 CA GLU A 14 -7.841 -4.893 6.709 1.00 0.00 C ATOM 208 C GLU A 14 -6.324 -4.882 6.557 1.00 0.00 C ATOM 209 O GLU A 14 -5.594 -4.619 7.508 1.00 0.00 O ATOM 210 CB GLU A 14 -8.330 -6.341 6.860 1.00 0.00 C ATOM 211 CG GLU A 14 -9.805 -6.369 7.273 1.00 0.00 C ATOM 212 CD GLU A 14 -10.311 -7.810 7.275 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.534 -8.688 6.936 1.00 0.00 O ATOM 214 OE2 GLU A 14 -11.463 -8.015 7.618 1.00 0.00 O ATOM 0 H GLU A 14 -9.062 -4.882 4.998 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.129 -4.330 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.200 -6.875 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.727 -6.859 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.924 -5.930 8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.397 -5.766 6.584 1.00 0.00 H new ATOM 221 N ALA A 15 -5.870 -5.146 5.337 1.00 0.00 N ATOM 222 CA ALA A 15 -4.443 -5.154 5.029 1.00 0.00 C ATOM 223 C ALA A 15 -3.824 -3.797 5.331 1.00 0.00 C ATOM 224 O ALA A 15 -2.744 -3.701 5.912 1.00 0.00 O ATOM 225 CB ALA A 15 -4.246 -5.477 3.544 1.00 0.00 C ATOM 0 H ALA A 15 -6.472 -5.358 4.541 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.956 -5.910 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.181 -5.484 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.671 -6.456 3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.745 -4.721 2.938 1.00 0.00 H new ATOM 231 N PHE A 16 -4.500 -2.744 4.908 1.00 0.00 N ATOM 232 CA PHE A 16 -4.017 -1.387 5.107 1.00 0.00 C ATOM 233 C PHE A 16 -4.017 -0.944 6.579 1.00 0.00 C ATOM 234 O PHE A 16 -3.031 -0.379 7.049 1.00 0.00 O ATOM 235 CB PHE A 16 -4.873 -0.453 4.265 1.00 0.00 C ATOM 236 CG PHE A 16 -4.436 0.970 4.483 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.899 1.674 5.595 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.561 1.581 3.578 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.491 2.995 5.805 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.152 2.901 3.786 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.616 3.608 4.899 1.00 0.00 C ATOM 0 H PHE A 16 -5.394 -2.803 4.420 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.973 -1.351 4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.783 -0.714 3.210 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.923 -0.566 4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.572 1.199 6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.202 1.033 2.719 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.850 3.542 6.664 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.478 3.374 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.300 4.628 5.061 1.00 0.00 H new ATOM 251 N SER A 17 -5.099 -1.210 7.315 1.00 0.00 N ATOM 252 CA SER A 17 -5.136 -0.815 8.731 1.00 0.00 C ATOM 253 C SER A 17 -4.120 -1.635 9.498 1.00 0.00 C ATOM 254 O SER A 17 -3.513 -1.172 10.465 1.00 0.00 O ATOM 255 CB SER A 17 -6.531 -1.022 9.339 1.00 0.00 C ATOM 256 OG SER A 17 -6.907 -2.391 9.235 1.00 0.00 O ATOM 0 H SER A 17 -5.936 -1.681 6.972 1.00 0.00 H new ATOM 0 HA SER A 17 -4.898 0.246 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.531 -0.714 10.385 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.259 -0.396 8.823 1.00 0.00 H new ATOM 0 HG SER A 17 -7.797 -2.516 9.626 1.00 0.00 H new ATOM 262 N LEU A 18 -3.931 -2.853 9.029 1.00 0.00 N ATOM 263 CA LEU A 18 -2.979 -3.779 9.609 1.00 0.00 C ATOM 264 C LEU A 18 -1.570 -3.216 9.470 1.00 0.00 C ATOM 265 O LEU A 18 -0.769 -3.276 10.401 1.00 0.00 O ATOM 266 CB LEU A 18 -3.139 -5.103 8.847 1.00 0.00 C ATOM 267 CG LEU A 18 -2.105 -6.155 9.234 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.202 -6.464 10.729 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.413 -7.424 8.427 1.00 0.00 C ATOM 0 H LEU A 18 -4.438 -3.230 8.228 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.155 -3.937 10.673 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.137 -5.501 9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.065 -4.909 7.777 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.099 -5.793 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.459 -7.216 10.994 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.018 -5.555 11.301 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.198 -6.841 10.959 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.690 -8.200 8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.418 -7.772 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.350 -7.202 7.362 1.00 0.00 H new ATOM 281 N PHE A 19 -1.282 -2.643 8.302 1.00 0.00 N ATOM 282 CA PHE A 19 0.030 -2.053 8.054 1.00 0.00 C ATOM 283 C PHE A 19 0.195 -0.749 8.829 1.00 0.00 C ATOM 284 O PHE A 19 1.306 -0.234 8.952 1.00 0.00 O ATOM 285 CB PHE A 19 0.242 -1.777 6.554 1.00 0.00 C ATOM 286 CG PHE A 19 0.337 -3.071 5.749 1.00 0.00 C ATOM 287 CD1 PHE A 19 1.221 -4.098 6.126 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.456 -3.235 4.603 1.00 0.00 C ATOM 289 CE1 PHE A 19 1.298 -5.271 5.368 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.375 -4.407 3.848 1.00 0.00 C ATOM 291 CZ PHE A 19 0.499 -5.427 4.232 1.00 0.00 C ATOM 0 H PHE A 19 -1.934 -2.576 7.520 1.00 0.00 H new ATOM 0 HA PHE A 19 0.776 -2.772 8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.582 -1.173 6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.153 -1.195 6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.841 -3.981 7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.134 -2.449 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.977 -6.058 5.661 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.988 -4.525 2.967 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.557 -6.336 3.651 1.00 0.00 H new ATOM 301 N ASP A 20 -0.910 -0.209 9.340 1.00 0.00 N ATOM 302 CA ASP A 20 -0.857 1.048 10.090 1.00 0.00 C ATOM 303 C ASP A 20 -0.669 0.798 11.590 1.00 0.00 C ATOM 304 O ASP A 20 -1.632 0.827 12.358 1.00 0.00 O ATOM 305 CB ASP A 20 -2.155 1.825 9.862 1.00 0.00 C ATOM 306 CG ASP A 20 -2.001 3.256 10.367 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.990 3.537 10.991 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.894 4.051 10.120 1.00 0.00 O ATOM 0 H ASP A 20 -1.842 -0.614 9.251 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.003 1.624 9.734 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.404 1.830 8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.978 1.334 10.381 1.00 0.00 H new ATOM 313 N LYS A 21 0.576 0.548 12.000 1.00 0.00 N ATOM 314 CA LYS A 21 0.872 0.291 13.412 1.00 0.00 C ATOM 315 C LYS A 21 0.248 1.354 14.312 1.00 0.00 C ATOM 316 O LYS A 21 0.015 1.112 15.495 1.00 0.00 O ATOM 317 CB LYS A 21 2.388 0.258 13.658 1.00 0.00 C ATOM 318 CG LYS A 21 2.993 -1.015 13.060 1.00 0.00 C ATOM 319 CD LYS A 21 4.502 -1.041 13.332 1.00 0.00 C ATOM 320 CE LYS A 21 5.096 -2.342 12.785 1.00 0.00 C ATOM 321 NZ LYS A 21 6.557 -2.392 13.085 1.00 0.00 N ATOM 0 H LYS A 21 1.388 0.518 11.383 1.00 0.00 H new ATOM 0 HA LYS A 21 0.442 -0.681 13.656 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.855 1.136 13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.591 0.298 14.728 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.519 -1.895 13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.806 -1.050 11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.982 -0.183 12.861 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.691 -0.964 14.403 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.593 -3.199 13.233 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.933 -2.403 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.875 -3.382 13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.080 -1.870 12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.736 -1.959 14.014 1.00 0.00 H new ATOM 335 N ASP A 22 0.005 2.539 13.760 1.00 0.00 N ATOM 336 CA ASP A 22 -0.574 3.641 14.536 1.00 0.00 C ATOM 337 C ASP A 22 -2.039 3.863 14.180 1.00 0.00 C ATOM 338 O ASP A 22 -2.677 4.778 14.700 1.00 0.00 O ATOM 339 CB ASP A 22 0.218 4.918 14.264 1.00 0.00 C ATOM 340 CG ASP A 22 1.686 4.703 14.619 1.00 0.00 C ATOM 341 OD1 ASP A 22 1.946 4.108 15.653 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.528 5.133 13.848 1.00 0.00 O ATOM 0 H ASP A 22 0.197 2.764 12.784 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.520 3.382 15.593 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.126 5.197 13.214 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.190 5.741 14.850 1.00 0.00 H new ATOM 347 N GLY A 23 -2.568 3.029 13.290 1.00 0.00 N ATOM 348 CA GLY A 23 -3.964 3.154 12.875 1.00 0.00 C ATOM 349 C GLY A 23 -4.348 4.622 12.692 1.00 0.00 C ATOM 350 O GLY A 23 -5.495 5.005 12.923 1.00 0.00 O ATOM 0 H GLY A 23 -2.058 2.266 12.845 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.120 2.614 11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.612 2.694 13.621 1.00 0.00 H new ATOM 354 N ASP A 24 -3.374 5.440 12.294 1.00 0.00 N ATOM 355 CA ASP A 24 -3.610 6.871 12.100 1.00 0.00 C ATOM 356 C ASP A 24 -4.183 7.150 10.719 1.00 0.00 C ATOM 357 O ASP A 24 -4.427 8.302 10.361 1.00 0.00 O ATOM 358 CB ASP A 24 -2.305 7.651 12.279 1.00 0.00 C ATOM 359 CG ASP A 24 -1.212 7.064 11.391 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.535 6.234 10.557 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.070 7.458 11.556 1.00 0.00 O ATOM 0 H ASP A 24 -2.419 5.139 12.100 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.334 7.195 12.848 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.463 8.700 12.028 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.993 7.616 13.323 1.00 0.00 H new ATOM 366 N GLY A 25 -4.401 6.094 9.948 1.00 0.00 N ATOM 367 CA GLY A 25 -4.952 6.246 8.608 1.00 0.00 C ATOM 368 C GLY A 25 -3.870 6.627 7.605 1.00 0.00 C ATOM 369 O GLY A 25 -4.160 7.222 6.568 1.00 0.00 O ATOM 0 H GLY A 25 -4.207 5.131 10.223 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.425 5.314 8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.729 7.011 8.616 1.00 0.00 H new ATOM 373 N CYS A 26 -2.618 6.282 7.913 1.00 0.00 N ATOM 374 CA CYS A 26 -1.509 6.594 7.014 1.00 0.00 C ATOM 375 C CYS A 26 -0.357 5.610 7.199 1.00 0.00 C ATOM 376 O CYS A 26 0.135 5.411 8.311 1.00 0.00 O ATOM 377 CB CYS A 26 -1.005 8.020 7.269 1.00 0.00 C ATOM 378 SG CYS A 26 -0.128 8.089 8.850 1.00 0.00 S ATOM 0 H CYS A 26 -2.350 5.793 8.767 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.877 6.513 5.991 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.342 8.331 6.461 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.844 8.716 7.278 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.129 6.910 9.399 1.00 0.00 H new ATOM 384 N ILE A 27 0.091 5.019 6.090 1.00 0.00 N ATOM 385 CA ILE A 27 1.217 4.083 6.121 1.00 0.00 C ATOM 386 C ILE A 27 2.448 4.835 5.662 1.00 0.00 C ATOM 387 O ILE A 27 2.477 5.345 4.541 1.00 0.00 O ATOM 388 CB ILE A 27 0.982 2.898 5.164 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.303 2.161 5.543 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.158 1.914 5.235 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.644 1.143 4.449 1.00 0.00 C ATOM 0 H ILE A 27 -0.306 5.171 5.163 1.00 0.00 H new ATOM 0 HA ILE A 27 1.333 3.691 7.131 1.00 0.00 H new ATOM 0 HB ILE A 27 0.895 3.290 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.177 1.655 6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.121 2.871 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.978 1.082 4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.078 2.425 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.255 1.535 6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.560 0.615 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.787 1.662 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.172 0.427 4.351 1.00 0.00 H new ATOM 403 N THR A 28 3.464 4.917 6.508 1.00 0.00 N ATOM 404 CA THR A 28 4.682 5.613 6.124 1.00 0.00 C ATOM 405 C THR A 28 5.620 4.598 5.474 1.00 0.00 C ATOM 406 O THR A 28 5.351 3.399 5.506 1.00 0.00 O ATOM 407 CB THR A 28 5.322 6.286 7.348 1.00 0.00 C ATOM 408 OG1 THR A 28 5.584 5.319 8.351 1.00 0.00 O ATOM 409 CG2 THR A 28 4.372 7.360 7.906 1.00 0.00 C ATOM 0 H THR A 28 3.471 4.519 7.447 1.00 0.00 H new ATOM 0 HA THR A 28 4.464 6.407 5.409 1.00 0.00 H new ATOM 0 HB THR A 28 6.260 6.752 7.046 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.993 5.755 9.127 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.829 7.835 8.774 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.182 8.111 7.139 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.431 6.896 8.200 1.00 0.00 H new ATOM 417 N THR A 29 6.704 5.068 4.873 1.00 0.00 N ATOM 418 CA THR A 29 7.642 4.164 4.216 1.00 0.00 C ATOM 419 C THR A 29 8.315 3.249 5.242 1.00 0.00 C ATOM 420 O THR A 29 8.782 2.158 4.913 1.00 0.00 O ATOM 421 CB THR A 29 8.693 4.969 3.455 1.00 0.00 C ATOM 422 OG1 THR A 29 9.228 5.967 4.310 1.00 0.00 O ATOM 423 CG2 THR A 29 8.044 5.624 2.233 1.00 0.00 C ATOM 0 H THR A 29 6.955 6.055 4.826 1.00 0.00 H new ATOM 0 HA THR A 29 7.092 3.541 3.510 1.00 0.00 H new ATOM 0 HB THR A 29 9.496 4.310 3.125 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.904 6.485 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.792 6.199 1.688 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.634 4.852 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.243 6.287 2.558 1.00 0.00 H new ATOM 431 N LYS A 30 8.373 3.720 6.484 1.00 0.00 N ATOM 432 CA LYS A 30 8.997 2.951 7.557 1.00 0.00 C ATOM 433 C LYS A 30 8.193 1.692 7.849 1.00 0.00 C ATOM 434 O LYS A 30 8.733 0.584 7.877 1.00 0.00 O ATOM 435 CB LYS A 30 9.073 3.804 8.830 1.00 0.00 C ATOM 436 CG LYS A 30 9.942 3.096 9.891 1.00 0.00 C ATOM 437 CD LYS A 30 11.409 3.491 9.691 1.00 0.00 C ATOM 438 CE LYS A 30 12.301 2.690 10.638 1.00 0.00 C ATOM 439 NZ LYS A 30 11.963 3.022 12.051 1.00 0.00 N ATOM 0 H LYS A 30 7.998 4.624 6.772 1.00 0.00 H new ATOM 0 HA LYS A 30 10.001 2.668 7.239 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.494 4.782 8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.071 3.974 9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.612 3.374 10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.830 2.015 9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.705 3.309 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.535 4.558 9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.166 1.623 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.349 2.915 10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.712 2.668 12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.882 4.054 12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.058 2.576 12.306 1.00 0.00 H new ATOM 453 N GLU A 31 6.896 1.875 8.024 1.00 0.00 N ATOM 454 CA GLU A 31 5.994 0.769 8.278 1.00 0.00 C ATOM 455 C GLU A 31 6.003 -0.154 7.077 1.00 0.00 C ATOM 456 O GLU A 31 6.033 -1.379 7.207 1.00 0.00 O ATOM 457 CB GLU A 31 4.588 1.324 8.501 1.00 0.00 C ATOM 458 CG GLU A 31 4.550 2.103 9.817 1.00 0.00 C ATOM 459 CD GLU A 31 3.175 2.728 10.017 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.629 3.232 9.051 1.00 0.00 O ATOM 461 OE2 GLU A 31 2.684 2.690 11.134 1.00 0.00 O ATOM 0 H GLU A 31 6.442 2.788 7.994 1.00 0.00 H new ATOM 0 HA GLU A 31 6.308 0.213 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.307 1.974 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.864 0.510 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.780 1.438 10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.314 2.881 9.810 1.00 0.00 H new ATOM 468 N LEU A 32 6.004 0.457 5.902 1.00 0.00 N ATOM 469 CA LEU A 32 6.048 -0.296 4.669 1.00 0.00 C ATOM 470 C LEU A 32 7.349 -1.074 4.658 1.00 0.00 C ATOM 471 O LEU A 32 7.389 -2.252 4.314 1.00 0.00 O ATOM 472 CB LEU A 32 5.960 0.662 3.469 1.00 0.00 C ATOM 473 CG LEU A 32 5.976 -0.118 2.142 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.778 -1.077 2.087 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.900 0.860 0.949 1.00 0.00 C ATOM 0 H LEU A 32 5.975 1.469 5.782 1.00 0.00 H new ATOM 0 HA LEU A 32 5.206 -0.985 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.047 1.254 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.796 1.361 3.495 1.00 0.00 H new ATOM 0 HG LEU A 32 6.904 -0.687 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.795 -1.626 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.836 -1.780 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.852 -0.507 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.912 0.297 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.979 1.439 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.756 1.535 0.977 1.00 0.00 H new ATOM 487 N GLY A 33 8.417 -0.412 5.080 1.00 0.00 N ATOM 488 CA GLY A 33 9.708 -1.066 5.150 1.00 0.00 C ATOM 489 C GLY A 33 9.657 -2.249 6.112 1.00 0.00 C ATOM 490 O GLY A 33 10.168 -3.325 5.803 1.00 0.00 O ATOM 0 H GLY A 33 8.413 0.564 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.003 -1.409 4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.465 -0.354 5.479 1.00 0.00 H new ATOM 494 N THR A 34 9.017 -2.059 7.273 1.00 0.00 N ATOM 495 CA THR A 34 8.900 -3.146 8.246 1.00 0.00 C ATOM 496 C THR A 34 8.374 -4.373 7.524 1.00 0.00 C ATOM 497 O THR A 34 8.853 -5.493 7.697 1.00 0.00 O ATOM 498 CB THR A 34 7.904 -2.744 9.349 1.00 0.00 C ATOM 499 OG1 THR A 34 8.239 -1.456 9.847 1.00 0.00 O ATOM 500 CG2 THR A 34 7.938 -3.759 10.495 1.00 0.00 C ATOM 0 H THR A 34 8.581 -1.181 7.555 1.00 0.00 H new ATOM 0 HA THR A 34 9.871 -3.354 8.697 1.00 0.00 H new ATOM 0 HB THR A 34 6.900 -2.725 8.925 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.603 -1.201 10.548 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.228 -3.460 11.267 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.669 -4.745 10.116 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.941 -3.795 10.919 1.00 0.00 H new ATOM 508 N VAL A 35 7.355 -4.120 6.737 1.00 0.00 N ATOM 509 CA VAL A 35 6.689 -5.153 5.971 1.00 0.00 C ATOM 510 C VAL A 35 7.594 -5.680 4.859 1.00 0.00 C ATOM 511 O VAL A 35 7.845 -6.881 4.777 1.00 0.00 O ATOM 512 CB VAL A 35 5.404 -4.550 5.405 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.644 -5.575 4.567 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.527 -4.076 6.573 1.00 0.00 C ATOM 0 H VAL A 35 6.961 -3.188 6.608 1.00 0.00 H new ATOM 0 HA VAL A 35 6.453 -6.006 6.608 1.00 0.00 H new ATOM 0 HB VAL A 35 5.657 -3.709 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.733 -5.122 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.271 -5.904 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.384 -6.432 5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.606 -3.643 6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.287 -4.924 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.065 -3.325 7.151 1.00 0.00 H new ATOM 524 N MET A 36 8.106 -4.786 4.017 1.00 0.00 N ATOM 525 CA MET A 36 8.987 -5.210 2.932 1.00 0.00 C ATOM 526 C MET A 36 10.183 -5.965 3.513 1.00 0.00 C ATOM 527 O MET A 36 10.569 -7.032 3.027 1.00 0.00 O ATOM 528 CB MET A 36 9.457 -3.970 2.165 1.00 0.00 C ATOM 529 CG MET A 36 8.266 -3.321 1.452 1.00 0.00 C ATOM 530 SD MET A 36 7.630 -4.431 0.170 1.00 0.00 S ATOM 531 CE MET A 36 8.571 -3.746 -1.216 1.00 0.00 C ATOM 0 H MET A 36 7.931 -3.782 4.062 1.00 0.00 H new ATOM 0 HA MET A 36 8.455 -5.874 2.251 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.914 -3.258 2.852 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.221 -4.248 1.439 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.479 -3.096 2.172 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.571 -2.374 1.006 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.585 -4.464 -2.036 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.103 -2.820 -1.551 1.00 0.00 H new ATOM 0 HE3 MET A 36 9.593 -3.541 -0.896 1.00 0.00 H new ATOM 541 N ARG A 37 10.739 -5.402 4.583 1.00 0.00 N ATOM 542 CA ARG A 37 11.879 -6.002 5.279 1.00 0.00 C ATOM 543 C ARG A 37 11.559 -7.425 5.688 1.00 0.00 C ATOM 544 O ARG A 37 12.322 -8.357 5.432 1.00 0.00 O ATOM 545 CB ARG A 37 12.128 -5.195 6.561 1.00 0.00 C ATOM 546 CG ARG A 37 13.362 -5.713 7.310 1.00 0.00 C ATOM 547 CD ARG A 37 13.546 -4.889 8.593 1.00 0.00 C ATOM 548 NE ARG A 37 12.434 -5.130 9.508 1.00 0.00 N ATOM 549 CZ ARG A 37 12.155 -4.289 10.501 1.00 0.00 C ATOM 550 NH1 ARG A 37 12.866 -3.206 10.662 1.00 0.00 N ATOM 551 NH2 ARG A 37 11.165 -4.543 11.313 1.00 0.00 N ATOM 0 H ARG A 37 10.417 -4.524 4.991 1.00 0.00 H new ATOM 0 HA ARG A 37 12.746 -5.998 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.266 -4.143 6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.253 -5.257 7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.240 -6.768 7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.247 -5.632 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.487 -5.156 9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.602 -3.828 8.348 1.00 0.00 H new ATOM 0 HE ARG A 37 11.858 -5.962 9.383 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.637 -3.003 10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.650 -2.563 11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.605 -5.386 11.186 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.951 -3.898 12.074 1.00 0.00 H new ATOM 565 N SER A 38 10.424 -7.561 6.342 1.00 0.00 N ATOM 566 CA SER A 38 9.963 -8.854 6.829 1.00 0.00 C ATOM 567 C SER A 38 9.532 -9.766 5.686 1.00 0.00 C ATOM 568 O SER A 38 9.348 -10.967 5.879 1.00 0.00 O ATOM 569 CB SER A 38 8.782 -8.652 7.779 1.00 0.00 C ATOM 570 OG SER A 38 7.803 -7.836 7.147 1.00 0.00 O ATOM 0 H SER A 38 9.795 -6.786 6.552 1.00 0.00 H new ATOM 0 HA SER A 38 10.794 -9.329 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.349 -9.615 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.120 -8.184 8.703 1.00 0.00 H new ATOM 0 HG SER A 38 8.046 -7.702 6.207 1.00 0.00 H new ATOM 576 N LEU A 39 9.340 -9.187 4.506 1.00 0.00 N ATOM 577 CA LEU A 39 8.895 -9.956 3.337 1.00 0.00 C ATOM 578 C LEU A 39 10.077 -10.356 2.440 1.00 0.00 C ATOM 579 O LEU A 39 9.962 -10.379 1.218 1.00 0.00 O ATOM 580 CB LEU A 39 7.848 -9.121 2.546 1.00 0.00 C ATOM 581 CG LEU A 39 6.409 -9.514 2.958 1.00 0.00 C ATOM 582 CD1 LEU A 39 6.141 -9.136 4.417 1.00 0.00 C ATOM 583 CD2 LEU A 39 5.387 -8.801 2.055 1.00 0.00 C ATOM 0 H LEU A 39 9.483 -8.193 4.328 1.00 0.00 H new ATOM 0 HA LEU A 39 8.433 -10.882 3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.007 -8.059 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.982 -9.281 1.476 1.00 0.00 H new ATOM 0 HG LEU A 39 6.307 -10.593 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.124 -9.421 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.847 -9.657 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.261 -8.060 4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.378 -9.084 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.505 -7.722 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.554 -9.091 1.018 1.00 0.00 H new ATOM 595 N GLY A 40 11.206 -10.703 3.050 1.00 0.00 N ATOM 596 CA GLY A 40 12.367 -11.133 2.274 1.00 0.00 C ATOM 597 C GLY A 40 12.802 -10.059 1.288 1.00 0.00 C ATOM 598 O GLY A 40 13.709 -10.275 0.482 1.00 0.00 O ATOM 0 H GLY A 40 11.343 -10.696 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.191 -11.366 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.127 -12.049 1.735 1.00 0.00 H new ATOM 602 N GLN A 41 12.160 -8.900 1.358 1.00 0.00 N ATOM 603 CA GLN A 41 12.488 -7.787 0.471 1.00 0.00 C ATOM 604 C GLN A 41 13.436 -6.831 1.191 1.00 0.00 C ATOM 605 O GLN A 41 13.357 -6.678 2.410 1.00 0.00 O ATOM 606 CB GLN A 41 11.196 -7.053 0.075 1.00 0.00 C ATOM 607 CG GLN A 41 11.407 -6.283 -1.228 1.00 0.00 C ATOM 608 CD GLN A 41 11.532 -7.263 -2.385 1.00 0.00 C ATOM 609 OE1 GLN A 41 10.685 -8.139 -2.552 1.00 0.00 O ATOM 610 NE2 GLN A 41 12.551 -7.174 -3.190 1.00 0.00 N ATOM 0 H GLN A 41 11.409 -8.704 2.019 1.00 0.00 H new ATOM 0 HA GLN A 41 12.975 -8.161 -0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.384 -7.770 -0.045 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.901 -6.366 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.571 -5.605 -1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.306 -5.670 -1.159 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.251 -6.446 -3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.649 -7.832 -3.963 1.00 0.00 H new ATOM 619 N ASN A 42 14.337 -6.194 0.444 1.00 0.00 N ATOM 620 CA ASN A 42 15.303 -5.261 1.042 1.00 0.00 C ATOM 621 C ASN A 42 15.487 -4.021 0.170 1.00 0.00 C ATOM 622 O ASN A 42 16.532 -3.857 -0.463 1.00 0.00 O ATOM 623 CB ASN A 42 16.660 -5.952 1.210 1.00 0.00 C ATOM 624 CG ASN A 42 17.576 -5.097 2.083 1.00 0.00 C ATOM 625 OD1 ASN A 42 17.896 -5.481 3.208 1.00 0.00 O ATOM 626 ND2 ASN A 42 18.017 -3.955 1.631 1.00 0.00 N ATOM 0 H ASN A 42 14.422 -6.302 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 42 14.913 -4.955 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.524 -6.934 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.119 -6.112 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.628 -3.379 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.751 -3.638 0.699 1.00 0.00 H new ATOM 633 N PRO A 43 14.515 -3.146 0.123 1.00 0.00 N ATOM 634 CA PRO A 43 14.605 -1.902 -0.693 1.00 0.00 C ATOM 635 C PRO A 43 15.459 -0.845 -0.010 1.00 0.00 C ATOM 636 O PRO A 43 15.555 -0.811 1.216 1.00 0.00 O ATOM 637 CB PRO A 43 13.151 -1.441 -0.788 1.00 0.00 C ATOM 638 CG PRO A 43 12.542 -1.894 0.496 1.00 0.00 C ATOM 639 CD PRO A 43 13.221 -3.228 0.836 1.00 0.00 C ATOM 0 HA PRO A 43 15.072 -2.070 -1.663 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.082 -0.359 -0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.647 -1.885 -1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.705 -1.160 1.286 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.464 -2.019 0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.361 -3.345 1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.629 -4.078 0.497 1.00 0.00 H new ATOM 647 N THR A 44 16.027 0.054 -0.799 1.00 0.00 N ATOM 648 CA THR A 44 16.808 1.147 -0.243 1.00 0.00 C ATOM 649 C THR A 44 15.891 2.342 -0.064 1.00 0.00 C ATOM 650 O THR A 44 14.751 2.327 -0.525 1.00 0.00 O ATOM 651 CB THR A 44 17.981 1.499 -1.160 1.00 0.00 C ATOM 652 OG1 THR A 44 17.525 1.584 -2.500 1.00 0.00 O ATOM 653 CG2 THR A 44 19.057 0.419 -1.050 1.00 0.00 C ATOM 0 H THR A 44 15.963 0.049 -1.817 1.00 0.00 H new ATOM 0 HA THR A 44 17.226 0.851 0.719 1.00 0.00 H new ATOM 0 HB THR A 44 18.402 2.459 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.190 1.183 -3.098 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.893 0.670 -1.703 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.408 0.358 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.639 -0.543 -1.348 1.00 0.00 H new ATOM 661 N GLU A 45 16.367 3.361 0.619 1.00 0.00 N ATOM 662 CA GLU A 45 15.547 4.535 0.866 1.00 0.00 C ATOM 663 C GLU A 45 15.112 5.210 -0.435 1.00 0.00 C ATOM 664 O GLU A 45 13.984 5.694 -0.532 1.00 0.00 O ATOM 665 CB GLU A 45 16.317 5.525 1.734 1.00 0.00 C ATOM 666 CG GLU A 45 16.574 4.897 3.106 1.00 0.00 C ATOM 667 CD GLU A 45 15.256 4.724 3.851 1.00 0.00 C ATOM 668 OE1 GLU A 45 14.530 5.696 3.956 1.00 0.00 O ATOM 669 OE2 GLU A 45 14.989 3.619 4.296 1.00 0.00 O ATOM 0 H GLU A 45 17.308 3.404 1.011 1.00 0.00 H new ATOM 0 HA GLU A 45 14.645 4.210 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.262 5.786 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.749 6.449 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.065 3.931 2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.249 5.528 3.684 1.00 0.00 H new ATOM 676 N ALA A 46 15.985 5.230 -1.435 1.00 0.00 N ATOM 677 CA ALA A 46 15.629 5.845 -2.713 1.00 0.00 C ATOM 678 C ALA A 46 14.430 5.133 -3.298 1.00 0.00 C ATOM 679 O ALA A 46 13.492 5.754 -3.792 1.00 0.00 O ATOM 680 CB ALA A 46 16.795 5.728 -3.696 1.00 0.00 C ATOM 0 H ALA A 46 16.925 4.837 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 46 15.398 6.897 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.519 6.189 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.669 6.235 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.030 4.676 -3.859 1.00 0.00 H new ATOM 686 N GLU A 47 14.491 3.816 -3.253 1.00 0.00 N ATOM 687 CA GLU A 47 13.438 2.982 -3.789 1.00 0.00 C ATOM 688 C GLU A 47 12.108 3.253 -3.087 1.00 0.00 C ATOM 689 O GLU A 47 11.089 3.455 -3.747 1.00 0.00 O ATOM 690 CB GLU A 47 13.872 1.518 -3.619 1.00 0.00 C ATOM 691 CG GLU A 47 14.751 1.113 -4.811 1.00 0.00 C ATOM 692 CD GLU A 47 15.915 2.095 -4.973 1.00 0.00 C ATOM 693 OE1 GLU A 47 15.658 3.249 -5.272 1.00 0.00 O ATOM 694 OE2 GLU A 47 17.047 1.672 -4.807 1.00 0.00 O ATOM 0 H GLU A 47 15.269 3.298 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 47 13.281 3.205 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.423 1.395 -2.687 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.997 0.871 -3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.136 0.104 -4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.153 1.094 -5.722 1.00 0.00 H new ATOM 701 N LEU A 48 12.120 3.262 -1.759 1.00 0.00 N ATOM 702 CA LEU A 48 10.900 3.513 -0.986 1.00 0.00 C ATOM 703 C LEU A 48 10.373 4.918 -1.229 1.00 0.00 C ATOM 704 O LEU A 48 9.175 5.127 -1.419 1.00 0.00 O ATOM 705 CB LEU A 48 11.209 3.386 0.500 1.00 0.00 C ATOM 706 CG LEU A 48 11.720 1.985 0.803 1.00 0.00 C ATOM 707 CD1 LEU A 48 12.111 1.914 2.282 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.634 0.944 0.482 1.00 0.00 C ATOM 0 H LEU A 48 12.954 3.100 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 48 10.152 2.785 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.955 4.126 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.313 3.591 1.086 1.00 0.00 H new ATOM 0 HG LEU A 48 12.591 1.766 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.479 0.915 2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.893 2.645 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.240 2.132 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.011 -0.055 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.750 1.141 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.370 1.007 -0.574 1.00 0.00 H new ATOM 720 N GLN A 49 11.288 5.877 -1.228 1.00 0.00 N ATOM 721 CA GLN A 49 10.926 7.275 -1.450 1.00 0.00 C ATOM 722 C GLN A 49 10.297 7.410 -2.825 1.00 0.00 C ATOM 723 O GLN A 49 9.376 8.192 -3.039 1.00 0.00 O ATOM 724 CB GLN A 49 12.179 8.145 -1.371 1.00 0.00 C ATOM 725 CG GLN A 49 11.802 9.622 -1.505 1.00 0.00 C ATOM 726 CD GLN A 49 13.065 10.472 -1.443 1.00 0.00 C ATOM 727 OE1 GLN A 49 14.096 10.013 -0.950 1.00 0.00 O ATOM 728 NE2 GLN A 49 13.054 11.686 -1.918 1.00 0.00 N ATOM 0 H GLN A 49 12.284 5.716 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 49 10.217 7.599 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.689 7.976 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.875 7.866 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.281 9.792 -2.447 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.118 9.908 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.200 12.066 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.899 12.256 -1.881 1.00 0.00 H new ATOM 737 N ASP A 50 10.817 6.632 -3.758 1.00 0.00 N ATOM 738 CA ASP A 50 10.318 6.639 -5.112 1.00 0.00 C ATOM 739 C ASP A 50 9.019 5.840 -5.197 1.00 0.00 C ATOM 740 O ASP A 50 8.153 6.121 -6.026 1.00 0.00 O ATOM 741 CB ASP A 50 11.386 6.024 -6.008 1.00 0.00 C ATOM 742 CG ASP A 50 12.582 6.966 -6.093 1.00 0.00 C ATOM 743 OD1 ASP A 50 12.435 8.111 -5.696 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.627 6.530 -6.549 1.00 0.00 O ATOM 0 H ASP A 50 11.589 5.986 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 50 10.103 7.658 -5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.698 5.058 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.981 5.843 -7.003 1.00 0.00 H new ATOM 749 N MET A 51 8.891 4.846 -4.323 1.00 0.00 N ATOM 750 CA MET A 51 7.690 4.022 -4.294 1.00 0.00 C ATOM 751 C MET A 51 6.500 4.850 -3.819 1.00 0.00 C ATOM 752 O MET A 51 5.429 4.849 -4.429 1.00 0.00 O ATOM 753 CB MET A 51 7.908 2.836 -3.332 1.00 0.00 C ATOM 754 CG MET A 51 7.059 1.641 -3.773 1.00 0.00 C ATOM 755 SD MET A 51 5.322 2.142 -3.905 1.00 0.00 S ATOM 756 CE MET A 51 4.857 1.844 -2.182 1.00 0.00 C ATOM 0 H MET A 51 9.598 4.594 -3.632 1.00 0.00 H new ATOM 0 HA MET A 51 7.486 3.649 -5.298 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.962 2.558 -3.317 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.641 3.127 -2.316 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.413 1.265 -4.733 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.159 0.827 -3.055 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.873 2.271 -1.992 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.829 0.771 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.589 2.310 -1.522 1.00 0.00 H new ATOM 766 N ILE A 52 6.723 5.553 -2.716 1.00 0.00 N ATOM 767 CA ILE A 52 5.701 6.395 -2.118 1.00 0.00 C ATOM 768 C ILE A 52 5.356 7.558 -3.051 1.00 0.00 C ATOM 769 O ILE A 52 4.190 7.920 -3.207 1.00 0.00 O ATOM 770 CB ILE A 52 6.229 6.900 -0.742 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.072 6.998 0.263 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.901 8.275 -0.859 1.00 0.00 C ATOM 773 CD1 ILE A 52 4.726 5.606 0.807 1.00 0.00 C ATOM 0 H ILE A 52 7.612 5.555 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 52 4.783 5.828 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 52 6.971 6.180 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.349 7.659 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.198 7.436 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.255 8.591 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.745 8.210 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.181 9.001 -1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.904 5.687 1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.430 4.957 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.598 5.183 1.306 1.00 0.00 H new ATOM 785 N ASN A 53 6.392 8.149 -3.636 1.00 0.00 N ATOM 786 CA ASN A 53 6.236 9.297 -4.524 1.00 0.00 C ATOM 787 C ASN A 53 5.422 8.954 -5.780 1.00 0.00 C ATOM 788 O ASN A 53 4.614 9.765 -6.227 1.00 0.00 O ATOM 789 CB ASN A 53 7.616 9.824 -4.916 1.00 0.00 C ATOM 790 CG ASN A 53 7.469 11.011 -5.861 1.00 0.00 C ATOM 791 OD1 ASN A 53 6.719 11.944 -5.573 1.00 0.00 O ATOM 792 ND2 ASN A 53 8.142 11.033 -6.977 1.00 0.00 N ATOM 0 H ASN A 53 7.359 7.849 -3.510 1.00 0.00 H new ATOM 0 HA ASN A 53 5.682 10.066 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.167 10.124 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.193 9.034 -5.397 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.048 11.824 -7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.763 10.259 -7.214 1.00 0.00 H new ATOM 799 N GLU A 54 5.630 7.767 -6.356 1.00 0.00 N ATOM 800 CA GLU A 54 4.902 7.369 -7.555 1.00 0.00 C ATOM 801 C GLU A 54 3.405 7.327 -7.267 1.00 0.00 C ATOM 802 O GLU A 54 2.582 7.797 -8.058 1.00 0.00 O ATOM 803 CB GLU A 54 5.400 5.978 -7.968 1.00 0.00 C ATOM 804 CG GLU A 54 4.634 5.473 -9.181 1.00 0.00 C ATOM 805 CD GLU A 54 5.215 4.135 -9.649 1.00 0.00 C ATOM 806 OE1 GLU A 54 6.302 3.799 -9.209 1.00 0.00 O ATOM 807 OE2 GLU A 54 4.561 3.465 -10.435 1.00 0.00 O ATOM 0 H GLU A 54 6.292 7.072 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 54 5.073 8.085 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.465 6.020 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.278 5.281 -7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.580 5.353 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.690 6.205 -9.987 1.00 0.00 H new ATOM 814 N VAL A 55 3.079 6.761 -6.120 1.00 0.00 N ATOM 815 CA VAL A 55 1.700 6.629 -5.666 1.00 0.00 C ATOM 816 C VAL A 55 1.421 7.652 -4.592 1.00 0.00 C ATOM 817 O VAL A 55 1.191 7.301 -3.437 1.00 0.00 O ATOM 818 CB VAL A 55 1.525 5.237 -5.075 1.00 0.00 C ATOM 819 CG1 VAL A 55 0.060 5.001 -4.675 1.00 0.00 C ATOM 820 CG2 VAL A 55 1.965 4.201 -6.100 1.00 0.00 C ATOM 0 H VAL A 55 3.765 6.376 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 55 1.016 6.784 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 55 2.139 5.147 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.046 4.001 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.238 5.740 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.577 5.094 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.842 3.201 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.356 4.297 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.013 4.362 -6.353 1.00 0.00 H new ATOM 830 N ASP A 56 1.471 8.923 -4.953 1.00 0.00 N ATOM 831 CA ASP A 56 1.251 9.980 -3.984 1.00 0.00 C ATOM 832 C ASP A 56 0.203 10.958 -4.512 1.00 0.00 C ATOM 833 O ASP A 56 0.398 12.172 -4.457 1.00 0.00 O ATOM 834 CB ASP A 56 2.606 10.676 -3.731 1.00 0.00 C ATOM 835 CG ASP A 56 2.833 10.950 -2.244 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.932 11.480 -1.615 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.912 10.638 -1.763 1.00 0.00 O ATOM 0 H ASP A 56 1.660 9.245 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 56 0.871 9.579 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.413 10.051 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.641 11.615 -4.283 1.00 0.00 H new ATOM 842 N ALA A 57 -0.910 10.410 -5.024 1.00 0.00 N ATOM 843 CA ALA A 57 -2.003 11.231 -5.558 1.00 0.00 C ATOM 844 C ALA A 57 -2.135 12.537 -4.780 1.00 0.00 C ATOM 845 O ALA A 57 -2.523 13.568 -5.329 1.00 0.00 O ATOM 846 CB ALA A 57 -3.328 10.468 -5.449 1.00 0.00 C ATOM 0 H ALA A 57 -1.075 9.405 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.776 11.453 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.136 11.083 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.262 9.541 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.530 10.237 -4.403 1.00 0.00 H new ATOM 852 N ASP A 58 -1.816 12.465 -3.487 1.00 0.00 N ATOM 853 CA ASP A 58 -1.902 13.628 -2.603 1.00 0.00 C ATOM 854 C ASP A 58 -0.555 14.346 -2.488 1.00 0.00 C ATOM 855 O ASP A 58 -0.503 15.574 -2.428 1.00 0.00 O ATOM 856 CB ASP A 58 -2.349 13.172 -1.215 1.00 0.00 C ATOM 857 CG ASP A 58 -3.472 12.150 -1.342 1.00 0.00 C ATOM 858 OD1 ASP A 58 -4.496 12.488 -1.912 1.00 0.00 O ATOM 859 OD2 ASP A 58 -3.286 11.039 -0.872 1.00 0.00 O ATOM 0 H ASP A 58 -1.495 11.612 -3.028 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.624 14.326 -3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.507 12.735 -0.677 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.689 14.029 -0.633 1.00 0.00 H new ATOM 864 N GLY A 59 0.532 13.579 -2.455 1.00 0.00 N ATOM 865 CA GLY A 59 1.866 14.164 -2.344 1.00 0.00 C ATOM 866 C GLY A 59 2.217 14.470 -0.889 1.00 0.00 C ATOM 867 O GLY A 59 3.127 15.253 -0.614 1.00 0.00 O ATOM 0 H GLY A 59 0.517 12.560 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.603 13.478 -2.762 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.914 15.080 -2.933 1.00 0.00 H new ATOM 871 N ASN A 60 1.487 13.852 0.037 1.00 0.00 N ATOM 872 CA ASN A 60 1.727 14.069 1.462 1.00 0.00 C ATOM 873 C ASN A 60 2.914 13.243 1.957 1.00 0.00 C ATOM 874 O ASN A 60 3.408 13.465 3.062 1.00 0.00 O ATOM 875 CB ASN A 60 0.478 13.698 2.261 1.00 0.00 C ATOM 876 CG ASN A 60 0.163 12.218 2.082 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.978 11.468 1.544 1.00 0.00 O ATOM 878 ND2 ASN A 60 -0.978 11.747 2.506 1.00 0.00 N ATOM 0 H ASN A 60 0.730 13.201 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 60 1.959 15.124 1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.633 13.920 3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.368 14.301 1.930 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.195 10.757 2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.653 12.369 2.952 1.00 0.00 H new ATOM 885 N GLY A 61 3.379 12.299 1.142 1.00 0.00 N ATOM 886 CA GLY A 61 4.520 11.465 1.524 1.00 0.00 C ATOM 887 C GLY A 61 4.080 10.235 2.307 1.00 0.00 C ATOM 888 O GLY A 61 4.910 9.468 2.791 1.00 0.00 O ATOM 0 H GLY A 61 2.990 12.092 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.059 11.153 0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.214 12.051 2.126 1.00 0.00 H new ATOM 892 N THR A 62 2.771 10.030 2.408 1.00 0.00 N ATOM 893 CA THR A 62 2.234 8.864 3.106 1.00 0.00 C ATOM 894 C THR A 62 1.062 8.311 2.322 1.00 0.00 C ATOM 895 O THR A 62 0.571 8.954 1.398 1.00 0.00 O ATOM 896 CB THR A 62 1.832 9.224 4.539 1.00 0.00 C ATOM 897 OG1 THR A 62 0.774 10.172 4.526 1.00 0.00 O ATOM 898 CG2 THR A 62 3.052 9.805 5.252 1.00 0.00 C ATOM 0 H THR A 62 2.064 10.652 2.018 1.00 0.00 H new ATOM 0 HA THR A 62 3.004 8.095 3.174 1.00 0.00 H new ATOM 0 HB THR A 62 1.485 8.333 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.523 10.395 5.447 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.784 10.068 6.275 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.853 9.065 5.265 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.391 10.697 4.725 1.00 0.00 H new ATOM 906 N ILE A 63 0.649 7.095 2.647 1.00 0.00 N ATOM 907 CA ILE A 63 -0.433 6.451 1.906 1.00 0.00 C ATOM 908 C ILE A 63 -1.739 6.472 2.674 1.00 0.00 C ATOM 909 O ILE A 63 -1.841 5.892 3.752 1.00 0.00 O ATOM 910 CB ILE A 63 -0.048 4.992 1.635 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.442 4.920 1.289 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.867 4.448 0.459 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.837 3.478 0.978 1.00 0.00 C ATOM 0 H ILE A 63 1.038 6.538 3.408 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.577 7.003 0.977 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.252 4.394 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.656 5.557 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.036 5.297 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.589 3.411 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.929 4.501 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.666 5.044 -0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.898 3.436 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.640 2.851 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.255 3.116 0.131 1.00 0.00 H new ATOM 925 N ASP A 64 -2.750 7.091 2.078 1.00 0.00 N ATOM 926 CA ASP A 64 -4.074 7.117 2.669 1.00 0.00 C ATOM 927 C ASP A 64 -4.716 5.806 2.257 1.00 0.00 C ATOM 928 O ASP A 64 -4.017 4.949 1.718 1.00 0.00 O ATOM 929 CB ASP A 64 -4.874 8.308 2.136 1.00 0.00 C ATOM 930 CG ASP A 64 -4.279 9.622 2.640 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.402 9.569 3.485 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.711 10.664 2.168 1.00 0.00 O ATOM 0 H ASP A 64 -2.675 7.580 1.186 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.039 7.227 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.873 8.296 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.913 8.227 2.454 1.00 0.00 H new ATOM 937 N PHE A 65 -6.011 5.607 2.454 1.00 0.00 N ATOM 938 CA PHE A 65 -6.593 4.341 2.015 1.00 0.00 C ATOM 939 C PHE A 65 -6.887 4.329 0.498 1.00 0.00 C ATOM 940 O PHE A 65 -6.620 3.325 -0.164 1.00 0.00 O ATOM 941 CB PHE A 65 -7.844 3.974 2.817 1.00 0.00 C ATOM 942 CG PHE A 65 -8.502 2.850 2.075 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.031 1.549 2.229 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.531 3.129 1.177 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.596 0.513 1.489 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.096 2.097 0.428 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.631 0.783 0.582 1.00 0.00 C ATOM 0 H PHE A 65 -6.654 6.267 2.892 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.841 3.576 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.581 3.670 3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.515 4.828 2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.228 1.343 2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.890 4.141 1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.237 -0.498 1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.892 2.310 -0.271 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.068 -0.018 0.004 1.00 0.00 H new ATOM 957 N PRO A 66 -7.448 5.373 -0.078 1.00 0.00 N ATOM 958 CA PRO A 66 -7.775 5.380 -1.542 1.00 0.00 C ATOM 959 C PRO A 66 -6.546 5.114 -2.406 1.00 0.00 C ATOM 960 O PRO A 66 -6.631 4.437 -3.431 1.00 0.00 O ATOM 961 CB PRO A 66 -8.340 6.788 -1.781 1.00 0.00 C ATOM 962 CG PRO A 66 -8.833 7.217 -0.445 1.00 0.00 C ATOM 963 CD PRO A 66 -7.827 6.650 0.550 1.00 0.00 C ATOM 0 HA PRO A 66 -8.476 4.591 -1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.574 7.465 -2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.144 6.774 -2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.887 8.303 -0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.836 6.835 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.969 7.309 0.681 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.269 6.503 1.536 1.00 0.00 H new ATOM 971 N GLU A 67 -5.403 5.646 -1.988 1.00 0.00 N ATOM 972 CA GLU A 67 -4.179 5.439 -2.745 1.00 0.00 C ATOM 973 C GLU A 67 -3.873 3.960 -2.776 1.00 0.00 C ATOM 974 O GLU A 67 -3.883 3.316 -3.828 1.00 0.00 O ATOM 975 CB GLU A 67 -3.022 6.157 -2.043 1.00 0.00 C ATOM 976 CG GLU A 67 -3.253 7.665 -2.081 1.00 0.00 C ATOM 977 CD GLU A 67 -2.113 8.385 -1.370 1.00 0.00 C ATOM 978 OE1 GLU A 67 -1.011 8.369 -1.893 1.00 0.00 O ATOM 979 OE2 GLU A 67 -2.361 8.950 -0.316 1.00 0.00 O ATOM 0 H GLU A 67 -5.300 6.212 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.301 5.827 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.944 5.817 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.079 5.911 -2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.320 8.005 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.202 7.908 -1.603 1.00 0.00 H new ATOM 986 N PHE A 68 -3.659 3.419 -1.590 1.00 0.00 N ATOM 987 CA PHE A 68 -3.388 2.011 -1.450 1.00 0.00 C ATOM 988 C PHE A 68 -4.459 1.187 -2.188 1.00 0.00 C ATOM 989 O PHE A 68 -4.185 0.068 -2.624 1.00 0.00 O ATOM 990 CB PHE A 68 -3.321 1.657 0.060 1.00 0.00 C ATOM 991 CG PHE A 68 -3.659 0.200 0.277 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.671 -0.767 0.098 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.959 -0.178 0.630 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.971 -2.117 0.275 1.00 0.00 C ATOM 995 CE2 PHE A 68 -5.265 -1.531 0.802 1.00 0.00 C ATOM 996 CZ PHE A 68 -4.274 -2.502 0.624 1.00 0.00 C ATOM 0 H PHE A 68 -3.669 3.939 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.427 1.766 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.323 1.866 0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.016 2.285 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.670 -0.470 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.723 0.573 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.202 -2.864 0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.268 -1.827 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.512 -3.547 0.755 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.665 1.750 -2.355 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.734 1.044 -3.078 1.00 0.00 C ATOM 1008 C LEU A 69 -6.500 1.107 -4.591 1.00 0.00 C ATOM 1009 O LEU A 69 -6.593 0.099 -5.291 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.101 1.640 -2.717 1.00 0.00 C ATOM 1011 CG LEU A 69 -9.223 0.994 -3.546 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -9.137 -0.531 -3.459 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -10.582 1.435 -2.988 1.00 0.00 C ATOM 0 H LEU A 69 -5.922 2.674 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.721 -0.004 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.297 1.491 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.089 2.716 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.115 1.307 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.938 -0.975 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.173 -0.864 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.239 -0.842 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.381 0.979 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.668 1.119 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.664 2.520 -3.046 1.00 0.00 H new ATOM 1025 N ASN A 70 -6.164 2.293 -5.078 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.893 2.499 -6.499 1.00 0.00 C ATOM 1027 C ASN A 70 -4.746 1.598 -6.906 1.00 0.00 C ATOM 1028 O ASN A 70 -4.767 0.931 -7.939 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.483 3.964 -6.687 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.081 4.257 -8.128 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -3.997 3.877 -8.566 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -5.890 4.949 -8.880 1.00 0.00 N ATOM 0 H ASN A 70 -6.071 3.134 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.769 2.270 -7.105 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.311 4.613 -6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.651 4.197 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.625 5.178 -9.838 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.788 5.261 -8.511 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.770 1.587 -6.029 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.568 0.792 -6.164 1.00 0.00 C ATOM 1041 C LEU A 71 -2.936 -0.682 -6.345 1.00 0.00 C ATOM 1042 O LEU A 71 -2.721 -1.265 -7.407 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.812 1.054 -4.845 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.779 -0.026 -4.472 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.543 0.263 -5.172 1.00 0.00 C ATOM 1046 CD2 LEU A 71 -0.564 0.026 -2.960 1.00 0.00 C ATOM 0 H LEU A 71 -3.789 2.147 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.960 1.048 -7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.303 2.015 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.538 1.139 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.138 -1.009 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.271 -0.503 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.391 0.260 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.914 1.240 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.165 -0.731 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.195 1.012 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.509 -0.166 -2.451 1.00 0.00 H new ATOM 1058 N MET A 72 -3.504 -1.258 -5.295 1.00 0.00 N ATOM 1059 CA MET A 72 -3.920 -2.662 -5.293 1.00 0.00 C ATOM 1060 C MET A 72 -4.900 -2.918 -6.444 1.00 0.00 C ATOM 1061 O MET A 72 -4.871 -3.975 -7.077 1.00 0.00 O ATOM 1062 CB MET A 72 -4.594 -2.958 -3.938 1.00 0.00 C ATOM 1063 CG MET A 72 -4.314 -4.391 -3.478 1.00 0.00 C ATOM 1064 SD MET A 72 -4.986 -4.616 -1.813 1.00 0.00 S ATOM 1065 CE MET A 72 -4.133 -6.167 -1.448 1.00 0.00 C ATOM 0 H MET A 72 -3.691 -0.770 -4.419 1.00 0.00 H new ATOM 0 HA MET A 72 -3.058 -3.315 -5.431 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.231 -2.256 -3.188 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.670 -2.805 -4.024 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.768 -5.103 -4.167 1.00 0.00 H new ATOM 0 HG3 MET A 72 -3.241 -4.585 -3.481 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.403 -6.504 -0.447 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.425 -6.923 -2.176 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.056 -6.011 -1.500 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.757 -1.933 -6.715 1.00 0.00 N ATOM 1076 CA ALA A 73 -6.733 -2.060 -7.799 1.00 0.00 C ATOM 1077 C ALA A 73 -6.026 -2.022 -9.144 1.00 0.00 C ATOM 1078 O ALA A 73 -6.289 -2.843 -10.022 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.756 -0.927 -7.728 1.00 0.00 C ATOM 0 H ALA A 73 -5.796 -1.049 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.250 -3.013 -7.689 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.475 -1.035 -8.540 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.279 -0.968 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.245 0.031 -7.821 1.00 0.00 H new