USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=13 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 Single : A 5 THR OG1 : rot 32:sc= 0.389 USER MOD Single : A 8 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.07) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -69:sc= 0.251 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -81:sc= 0.383 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.1) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 86:sc= 0.256 USER MOD Single : A 41 GLN : amide:sc= -2.65! C(o=-2.6!,f=-3.8!) USER MOD Single : A 42 ASN : amide:sc= -1.85 K(o=-1.9,f=-4.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 49 GLN : amide:sc= -0.868 X(o=-0.87,f=-0.54) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.697 K(o=-0.7,f=-2.1) USER MOD Single : A 60 ASN :FLIP amide:sc= -7.35! C(o=-18!,f=-7.3!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0499 F(o=-1.6!,f=-0.05) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -15.745 -6.263 -5.579 1.00 0.00 N ATOM 62 CA THR A 5 -16.333 -7.103 -4.525 1.00 0.00 C ATOM 63 C THR A 5 -16.024 -6.547 -3.142 1.00 0.00 C ATOM 64 O THR A 5 -14.982 -5.931 -2.920 1.00 0.00 O ATOM 65 CB THR A 5 -15.783 -8.533 -4.618 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.749 -8.937 -5.978 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.687 -9.483 -3.824 1.00 0.00 C ATOM 0 HA THR A 5 -17.413 -7.108 -4.672 1.00 0.00 H new ATOM 0 HB THR A 5 -14.775 -8.563 -4.204 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.587 -8.156 -6.547 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.296 -10.498 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.713 -9.172 -2.780 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.696 -9.455 -4.236 1.00 0.00 H new ATOM 75 N ASP A 6 -16.929 -6.806 -2.206 1.00 0.00 N ATOM 76 CA ASP A 6 -16.748 -6.363 -0.833 1.00 0.00 C ATOM 77 C ASP A 6 -15.522 -7.035 -0.244 1.00 0.00 C ATOM 78 O ASP A 6 -14.803 -6.455 0.570 1.00 0.00 O ATOM 79 CB ASP A 6 -17.975 -6.741 -0.001 1.00 0.00 C ATOM 80 CG ASP A 6 -18.349 -8.199 -0.263 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.557 -8.536 -1.417 1.00 0.00 O ATOM 82 OD2 ASP A 6 -18.414 -8.955 0.692 1.00 0.00 O ATOM 0 H ASP A 6 -17.794 -7.320 -2.374 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.619 -5.281 -0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.766 -6.594 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.812 -6.090 -0.254 1.00 0.00 H new ATOM 87 N GLU A 7 -15.301 -8.274 -0.663 1.00 0.00 N ATOM 88 CA GLU A 7 -14.171 -9.050 -0.180 1.00 0.00 C ATOM 89 C GLU A 7 -12.858 -8.376 -0.549 1.00 0.00 C ATOM 90 O GLU A 7 -11.973 -8.218 0.289 1.00 0.00 O ATOM 91 CB GLU A 7 -14.206 -10.445 -0.800 1.00 0.00 C ATOM 92 CG GLU A 7 -15.444 -11.195 -0.313 1.00 0.00 C ATOM 93 CD GLU A 7 -15.524 -12.556 -0.995 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.664 -12.837 -1.813 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.443 -13.297 -0.689 1.00 0.00 O ATOM 0 H GLU A 7 -15.891 -8.762 -1.337 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.240 -9.120 0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.219 -10.370 -1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.305 -10.996 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.402 -11.322 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.341 -10.615 -0.531 1.00 0.00 H new ATOM 102 N GLN A 8 -12.735 -7.971 -1.806 1.00 0.00 N ATOM 103 CA GLN A 8 -11.517 -7.316 -2.255 1.00 0.00 C ATOM 104 C GLN A 8 -11.288 -6.053 -1.442 1.00 0.00 C ATOM 105 O GLN A 8 -10.156 -5.715 -1.114 1.00 0.00 O ATOM 106 CB GLN A 8 -11.629 -6.983 -3.763 1.00 0.00 C ATOM 107 CG GLN A 8 -10.611 -7.799 -4.568 1.00 0.00 C ATOM 108 CD GLN A 8 -10.916 -9.290 -4.452 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.030 -10.083 -4.136 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.125 -9.724 -4.690 1.00 0.00 N ATOM 0 H GLN A 8 -13.453 -8.083 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.667 -7.983 -2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.638 -7.199 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.457 -5.918 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.638 -7.496 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.604 -7.598 -4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.860 -9.067 -4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.334 -10.719 -4.614 1.00 0.00 H new ATOM 119 N ILE A 9 -12.378 -5.382 -1.102 1.00 0.00 N ATOM 120 CA ILE A 9 -12.290 -4.169 -0.303 1.00 0.00 C ATOM 121 C ILE A 9 -11.924 -4.518 1.135 1.00 0.00 C ATOM 122 O ILE A 9 -10.952 -4.007 1.684 1.00 0.00 O ATOM 123 CB ILE A 9 -13.624 -3.431 -0.347 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.868 -2.930 -1.773 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.578 -2.239 0.609 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.318 -2.465 -1.914 1.00 0.00 C ATOM 0 H ILE A 9 -13.326 -5.653 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.513 -3.522 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.428 -4.103 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.189 -2.109 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.659 -3.725 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.531 -1.711 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.392 -2.593 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.778 -1.562 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.489 -2.109 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.989 -3.298 -1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.511 -1.656 -1.209 1.00 0.00 H new ATOM 138 N SER A 10 -12.711 -5.384 1.747 1.00 0.00 N ATOM 139 CA SER A 10 -12.440 -5.768 3.120 1.00 0.00 C ATOM 140 C SER A 10 -11.013 -6.300 3.237 1.00 0.00 C ATOM 141 O SER A 10 -10.228 -5.805 4.048 1.00 0.00 O ATOM 142 CB SER A 10 -13.425 -6.845 3.556 1.00 0.00 C ATOM 143 OG SER A 10 -12.958 -7.459 4.748 1.00 0.00 O ATOM 0 H SER A 10 -13.527 -5.827 1.326 1.00 0.00 H new ATOM 0 HA SER A 10 -12.551 -4.895 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.409 -6.407 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.536 -7.591 2.769 1.00 0.00 H new ATOM 0 HG SER A 10 -13.592 -8.151 5.030 1.00 0.00 H new ATOM 149 N GLU A 11 -10.669 -7.282 2.406 1.00 0.00 N ATOM 150 CA GLU A 11 -9.322 -7.840 2.438 1.00 0.00 C ATOM 151 C GLU A 11 -8.302 -6.722 2.285 1.00 0.00 C ATOM 152 O GLU A 11 -7.312 -6.664 3.012 1.00 0.00 O ATOM 153 CB GLU A 11 -9.141 -8.858 1.305 1.00 0.00 C ATOM 154 CG GLU A 11 -9.986 -10.111 1.571 1.00 0.00 C ATOM 155 CD GLU A 11 -9.850 -11.084 0.403 1.00 0.00 C ATOM 156 OE1 GLU A 11 -9.826 -10.625 -0.727 1.00 0.00 O ATOM 157 OE2 GLU A 11 -9.765 -12.276 0.656 1.00 0.00 O ATOM 0 H GLU A 11 -11.292 -7.700 1.715 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.172 -8.343 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.433 -8.410 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.090 -9.132 1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.662 -10.590 2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.032 -9.834 1.706 1.00 0.00 H new ATOM 164 N PHE A 12 -8.563 -5.818 1.349 1.00 0.00 N ATOM 165 CA PHE A 12 -7.680 -4.687 1.115 1.00 0.00 C ATOM 166 C PHE A 12 -7.592 -3.836 2.384 1.00 0.00 C ATOM 167 O PHE A 12 -6.507 -3.512 2.866 1.00 0.00 O ATOM 168 CB PHE A 12 -8.277 -3.855 -0.034 1.00 0.00 C ATOM 169 CG PHE A 12 -7.906 -4.413 -1.394 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.551 -5.763 -1.580 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.943 -3.553 -2.493 1.00 0.00 C ATOM 172 CE1 PHE A 12 -7.229 -6.226 -2.862 1.00 0.00 C ATOM 173 CE2 PHE A 12 -7.624 -4.016 -3.765 1.00 0.00 C ATOM 174 CZ PHE A 12 -7.264 -5.347 -3.953 1.00 0.00 C ATOM 0 H PHE A 12 -9.381 -5.848 0.740 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.678 -5.028 0.855 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.362 -3.830 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.926 -2.826 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.527 -6.438 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.222 -2.519 -2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.954 -7.260 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.656 -3.342 -4.608 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.011 -5.703 -4.941 1.00 0.00 H new ATOM 184 N LYS A 13 -8.759 -3.487 2.908 1.00 0.00 N ATOM 185 CA LYS A 13 -8.871 -2.672 4.111 1.00 0.00 C ATOM 186 C LYS A 13 -8.194 -3.340 5.304 1.00 0.00 C ATOM 187 O LYS A 13 -7.493 -2.680 6.073 1.00 0.00 O ATOM 188 CB LYS A 13 -10.359 -2.458 4.398 1.00 0.00 C ATOM 189 CG LYS A 13 -10.559 -1.266 5.334 1.00 0.00 C ATOM 190 CD LYS A 13 -12.061 -0.999 5.474 1.00 0.00 C ATOM 191 CE LYS A 13 -12.295 0.226 6.364 1.00 0.00 C ATOM 192 NZ LYS A 13 -13.713 0.239 6.826 1.00 0.00 N ATOM 0 H LYS A 13 -9.657 -3.762 2.510 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.368 -1.718 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.895 -2.288 3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.781 -3.356 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.119 -1.474 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.054 -0.385 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.503 -0.834 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.555 -1.870 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.622 0.200 7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.073 1.139 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.874 1.070 7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.346 0.282 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.909 -0.626 7.368 1.00 0.00 H new ATOM 206 N GLU A 14 -8.392 -4.644 5.456 1.00 0.00 N ATOM 207 CA GLU A 14 -7.770 -5.360 6.562 1.00 0.00 C ATOM 208 C GLU A 14 -6.256 -5.279 6.426 1.00 0.00 C ATOM 209 O GLU A 14 -5.550 -4.964 7.380 1.00 0.00 O ATOM 210 CB GLU A 14 -8.212 -6.830 6.548 1.00 0.00 C ATOM 211 CG GLU A 14 -7.601 -7.583 7.738 1.00 0.00 C ATOM 212 CD GLU A 14 -8.076 -9.034 7.728 1.00 0.00 C ATOM 213 OE1 GLU A 14 -8.574 -9.464 6.700 1.00 0.00 O ATOM 214 OE2 GLU A 14 -7.943 -9.689 8.747 1.00 0.00 O ATOM 0 H GLU A 14 -8.967 -5.218 4.840 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.077 -4.906 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.300 -6.890 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.903 -7.300 5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.513 -7.546 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.890 -7.102 8.672 1.00 0.00 H new ATOM 221 N ALA A 15 -5.776 -5.539 5.215 1.00 0.00 N ATOM 222 CA ALA A 15 -4.349 -5.484 4.926 1.00 0.00 C ATOM 223 C ALA A 15 -3.787 -4.118 5.294 1.00 0.00 C ATOM 224 O ALA A 15 -2.727 -4.006 5.907 1.00 0.00 O ATOM 225 CB ALA A 15 -4.127 -5.731 3.428 1.00 0.00 C ATOM 0 H ALA A 15 -6.357 -5.791 4.415 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.840 -6.248 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.060 -5.691 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.517 -6.713 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.646 -4.965 2.852 1.00 0.00 H new ATOM 231 N PHE A 16 -4.480 -3.073 4.874 1.00 0.00 N ATOM 232 CA PHE A 16 -4.038 -1.715 5.133 1.00 0.00 C ATOM 233 C PHE A 16 -4.139 -1.307 6.612 1.00 0.00 C ATOM 234 O PHE A 16 -3.158 -0.826 7.180 1.00 0.00 O ATOM 235 CB PHE A 16 -4.863 -0.778 4.260 1.00 0.00 C ATOM 236 CG PHE A 16 -4.507 0.650 4.567 1.00 0.00 C ATOM 237 CD1 PHE A 16 -5.099 1.299 5.653 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.586 1.326 3.764 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.770 2.629 5.936 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.254 2.653 4.043 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.845 3.308 5.129 1.00 0.00 C ATOM 0 H PHE A 16 -5.353 -3.140 4.351 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.978 -1.651 4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.678 -0.990 3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.926 -0.943 4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.810 0.774 6.274 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.130 0.821 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.228 3.132 6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.541 3.174 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.589 4.335 5.346 1.00 0.00 H new ATOM 251 N SER A 17 -5.300 -1.507 7.246 1.00 0.00 N ATOM 252 CA SER A 17 -5.429 -1.131 8.657 1.00 0.00 C ATOM 253 C SER A 17 -4.376 -1.872 9.452 1.00 0.00 C ATOM 254 O SER A 17 -3.810 -1.350 10.414 1.00 0.00 O ATOM 255 CB SER A 17 -6.824 -1.479 9.203 1.00 0.00 C ATOM 256 OG SER A 17 -7.061 -2.876 9.068 1.00 0.00 O ATOM 0 H SER A 17 -6.135 -1.912 6.823 1.00 0.00 H new ATOM 0 HA SER A 17 -5.292 -0.053 8.748 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.897 -1.188 10.251 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.586 -0.918 8.663 1.00 0.00 H new ATOM 0 HG SER A 17 -7.161 -3.101 8.119 1.00 0.00 H new ATOM 262 N LEU A 18 -4.111 -3.092 9.018 1.00 0.00 N ATOM 263 CA LEU A 18 -3.118 -3.942 9.640 1.00 0.00 C ATOM 264 C LEU A 18 -1.748 -3.278 9.547 1.00 0.00 C ATOM 265 O LEU A 18 -1.006 -3.215 10.528 1.00 0.00 O ATOM 266 CB LEU A 18 -3.152 -5.273 8.873 1.00 0.00 C ATOM 267 CG LEU A 18 -2.070 -6.255 9.315 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.355 -6.746 10.735 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.101 -7.442 8.343 1.00 0.00 C ATOM 0 H LEU A 18 -4.582 -3.520 8.221 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.321 -4.109 10.698 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.129 -5.736 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.038 -5.073 7.808 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.092 -5.773 9.309 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.577 -7.446 11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.368 -5.897 11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.323 -7.246 10.760 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.338 -8.166 8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.082 -7.915 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.904 -7.089 7.331 1.00 0.00 H new ATOM 281 N PHE A 19 -1.428 -2.754 8.368 1.00 0.00 N ATOM 282 CA PHE A 19 -0.151 -2.077 8.166 1.00 0.00 C ATOM 283 C PHE A 19 -0.026 -0.867 9.081 1.00 0.00 C ATOM 284 O PHE A 19 1.086 -0.470 9.439 1.00 0.00 O ATOM 285 CB PHE A 19 0.015 -1.627 6.699 1.00 0.00 C ATOM 286 CG PHE A 19 0.185 -2.812 5.749 1.00 0.00 C ATOM 287 CD1 PHE A 19 0.909 -3.962 6.125 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.385 -2.754 4.466 1.00 0.00 C ATOM 289 CE1 PHE A 19 1.048 -5.025 5.238 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.238 -3.827 3.580 1.00 0.00 C ATOM 291 CZ PHE A 19 0.476 -4.963 3.968 1.00 0.00 C ATOM 0 H PHE A 19 -2.029 -2.784 7.544 1.00 0.00 H new ATOM 0 HA PHE A 19 0.636 -2.792 8.408 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.856 -1.044 6.398 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.881 -0.971 6.618 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.358 -4.018 7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.939 -1.878 4.163 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.602 -5.903 5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.677 -3.777 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.585 -5.792 3.285 1.00 0.00 H new ATOM 301 N ASP A 20 -1.155 -0.275 9.449 1.00 0.00 N ATOM 302 CA ASP A 20 -1.135 0.900 10.315 1.00 0.00 C ATOM 303 C ASP A 20 -0.911 0.496 11.778 1.00 0.00 C ATOM 304 O ASP A 20 -1.865 0.232 12.510 1.00 0.00 O ATOM 305 CB ASP A 20 -2.470 1.646 10.186 1.00 0.00 C ATOM 306 CG ASP A 20 -2.311 3.092 10.641 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.223 3.437 11.067 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.275 3.833 10.553 1.00 0.00 O ATOM 0 H ASP A 20 -2.086 -0.583 9.167 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.314 1.548 10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.812 1.618 9.151 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.232 1.150 10.787 1.00 0.00 H new ATOM 313 N LYS A 21 0.354 0.449 12.193 1.00 0.00 N ATOM 314 CA LYS A 21 0.688 0.063 13.565 1.00 0.00 C ATOM 315 C LYS A 21 0.109 1.039 14.585 1.00 0.00 C ATOM 316 O LYS A 21 -0.285 0.639 15.681 1.00 0.00 O ATOM 317 CB LYS A 21 2.209 -0.002 13.755 1.00 0.00 C ATOM 318 CG LYS A 21 2.790 -1.176 12.959 1.00 0.00 C ATOM 319 CD LYS A 21 4.325 -1.176 13.083 1.00 0.00 C ATOM 320 CE LYS A 21 4.739 -1.757 14.442 1.00 0.00 C ATOM 321 NZ LYS A 21 6.199 -2.041 14.443 1.00 0.00 N ATOM 0 H LYS A 21 1.158 0.671 11.606 1.00 0.00 H new ATOM 0 HA LYS A 21 0.249 -0.921 13.731 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.665 0.932 13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.447 -0.117 14.813 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.385 -2.117 13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.500 -1.097 11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.764 -1.764 12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.707 -0.160 12.980 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.495 -1.054 15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.181 -2.672 14.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.476 -2.434 15.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.420 -2.727 13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.724 -1.160 14.271 1.00 0.00 H new ATOM 335 N ASP A 22 0.083 2.323 14.239 1.00 0.00 N ATOM 336 CA ASP A 22 -0.425 3.347 15.154 1.00 0.00 C ATOM 337 C ASP A 22 -1.884 3.681 14.857 1.00 0.00 C ATOM 338 O ASP A 22 -2.488 4.506 15.543 1.00 0.00 O ATOM 339 CB ASP A 22 0.426 4.606 15.023 1.00 0.00 C ATOM 340 CG ASP A 22 0.447 5.074 13.574 1.00 0.00 C ATOM 341 OD1 ASP A 22 -0.468 4.727 12.848 1.00 0.00 O ATOM 342 OD2 ASP A 22 1.372 5.782 13.216 1.00 0.00 O ATOM 0 H ASP A 22 0.405 2.680 13.339 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.367 2.959 16.171 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.026 5.393 15.662 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.442 4.405 15.363 1.00 0.00 H new ATOM 347 N GLY A 23 -2.448 3.041 13.835 1.00 0.00 N ATOM 348 CA GLY A 23 -3.839 3.289 13.470 1.00 0.00 C ATOM 349 C GLY A 23 -4.108 4.785 13.334 1.00 0.00 C ATOM 350 O GLY A 23 -5.148 5.277 13.769 1.00 0.00 O ATOM 0 H GLY A 23 -1.969 2.355 13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.067 2.787 12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.499 2.864 14.226 1.00 0.00 H new ATOM 354 N ASP A 24 -3.156 5.508 12.743 1.00 0.00 N ATOM 355 CA ASP A 24 -3.291 6.954 12.569 1.00 0.00 C ATOM 356 C ASP A 24 -3.988 7.288 11.256 1.00 0.00 C ATOM 357 O ASP A 24 -4.131 8.457 10.900 1.00 0.00 O ATOM 358 CB ASP A 24 -1.913 7.618 12.594 1.00 0.00 C ATOM 359 CG ASP A 24 -0.994 6.969 11.565 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.412 5.997 10.955 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.112 7.452 11.400 1.00 0.00 O ATOM 0 H ASP A 24 -2.287 5.118 12.378 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.897 7.334 13.391 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.011 8.683 12.383 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.477 7.529 13.589 1.00 0.00 H new ATOM 366 N GLY A 25 -4.422 6.259 10.542 1.00 0.00 N ATOM 367 CA GLY A 25 -5.107 6.461 9.270 1.00 0.00 C ATOM 368 C GLY A 25 -4.114 6.538 8.118 1.00 0.00 C ATOM 369 O GLY A 25 -4.509 6.587 6.955 1.00 0.00 O ATOM 0 H GLY A 25 -4.314 5.283 10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.807 5.644 9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.693 7.379 9.311 1.00 0.00 H new ATOM 373 N CYS A 26 -2.818 6.540 8.439 1.00 0.00 N ATOM 374 CA CYS A 26 -1.779 6.605 7.406 1.00 0.00 C ATOM 375 C CYS A 26 -0.694 5.567 7.661 1.00 0.00 C ATOM 376 O CYS A 26 -0.518 5.103 8.785 1.00 0.00 O ATOM 377 CB CYS A 26 -1.145 8.002 7.370 1.00 0.00 C ATOM 378 SG CYS A 26 -2.430 9.243 7.077 1.00 0.00 S ATOM 0 H CYS A 26 -2.465 6.498 9.395 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.251 6.396 6.446 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.636 8.206 8.312 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.392 8.051 6.584 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.706 9.291 5.808 1.00 0.00 H new ATOM 384 N ILE A 27 0.048 5.226 6.609 1.00 0.00 N ATOM 385 CA ILE A 27 1.151 4.266 6.721 1.00 0.00 C ATOM 386 C ILE A 27 2.420 4.983 6.304 1.00 0.00 C ATOM 387 O ILE A 27 2.472 5.561 5.216 1.00 0.00 O ATOM 388 CB ILE A 27 0.937 3.064 5.786 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.366 2.351 6.140 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.101 2.072 5.925 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.680 1.311 5.064 1.00 0.00 C ATOM 0 H ILE A 27 -0.092 5.598 5.670 1.00 0.00 H new ATOM 0 HA ILE A 27 1.209 3.897 7.745 1.00 0.00 H new ATOM 0 HB ILE A 27 0.889 3.429 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.277 1.869 7.114 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.180 3.072 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.939 1.225 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.035 2.568 5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.156 1.718 6.954 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.610 0.799 5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.785 1.806 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.131 0.585 5.012 1.00 0.00 H new ATOM 403 N THR A 28 3.446 4.952 7.143 1.00 0.00 N ATOM 404 CA THR A 28 4.696 5.608 6.787 1.00 0.00 C ATOM 405 C THR A 28 5.572 4.587 6.062 1.00 0.00 C ATOM 406 O THR A 28 5.375 3.380 6.217 1.00 0.00 O ATOM 407 CB THR A 28 5.385 6.159 8.048 1.00 0.00 C ATOM 408 OG1 THR A 28 5.659 5.094 8.942 1.00 0.00 O ATOM 409 CG2 THR A 28 4.468 7.182 8.736 1.00 0.00 C ATOM 0 H THR A 28 3.441 4.492 8.053 1.00 0.00 H new ATOM 0 HA THR A 28 4.515 6.458 6.129 1.00 0.00 H new ATOM 0 HB THR A 28 6.318 6.645 7.764 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.099 5.445 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.960 7.569 9.628 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.261 8.004 8.050 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.532 6.700 9.018 1.00 0.00 H new ATOM 417 N THR A 29 6.522 5.057 5.266 1.00 0.00 N ATOM 418 CA THR A 29 7.386 4.146 4.519 1.00 0.00 C ATOM 419 C THR A 29 8.065 3.158 5.469 1.00 0.00 C ATOM 420 O THR A 29 8.372 2.032 5.088 1.00 0.00 O ATOM 421 CB THR A 29 8.441 4.943 3.753 1.00 0.00 C ATOM 422 OG1 THR A 29 9.218 5.697 4.673 1.00 0.00 O ATOM 423 CG2 THR A 29 7.745 5.888 2.772 1.00 0.00 C ATOM 0 H THR A 29 6.715 6.048 5.120 1.00 0.00 H new ATOM 0 HA THR A 29 6.776 3.585 3.810 1.00 0.00 H new ATOM 0 HB THR A 29 9.091 4.263 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.897 6.208 4.186 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.494 6.459 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.146 5.307 2.071 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.099 6.572 3.322 1.00 0.00 H new ATOM 431 N LYS A 30 8.294 3.598 6.704 1.00 0.00 N ATOM 432 CA LYS A 30 8.934 2.746 7.708 1.00 0.00 C ATOM 433 C LYS A 30 8.066 1.531 7.999 1.00 0.00 C ATOM 434 O LYS A 30 8.531 0.390 7.963 1.00 0.00 O ATOM 435 CB LYS A 30 9.145 3.543 9.000 1.00 0.00 C ATOM 436 CG LYS A 30 9.956 2.714 10.000 1.00 0.00 C ATOM 437 CD LYS A 30 10.302 3.589 11.208 1.00 0.00 C ATOM 438 CE LYS A 30 11.149 2.794 12.209 1.00 0.00 C ATOM 439 NZ LYS A 30 10.310 1.755 12.872 1.00 0.00 N ATOM 0 H LYS A 30 8.049 4.532 7.034 1.00 0.00 H new ATOM 0 HA LYS A 30 9.897 2.410 7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.666 4.475 8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.181 3.810 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.384 1.842 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.867 2.343 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.847 4.475 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.388 3.937 11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.988 2.323 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.570 3.466 12.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.832 1.347 13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.429 2.188 13.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.083 1.004 12.189 1.00 0.00 H new ATOM 453 N GLU A 31 6.787 1.791 8.242 1.00 0.00 N ATOM 454 CA GLU A 31 5.828 0.730 8.499 1.00 0.00 C ATOM 455 C GLU A 31 5.750 -0.166 7.278 1.00 0.00 C ATOM 456 O GLU A 31 5.795 -1.394 7.375 1.00 0.00 O ATOM 457 CB GLU A 31 4.465 1.360 8.775 1.00 0.00 C ATOM 458 CG GLU A 31 4.486 2.048 10.140 1.00 0.00 C ATOM 459 CD GLU A 31 3.178 2.797 10.363 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.324 2.728 9.495 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.050 3.427 11.397 1.00 0.00 O ATOM 0 H GLU A 31 6.392 2.731 8.266 1.00 0.00 H new ATOM 0 HA GLU A 31 6.134 0.136 9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.222 2.083 7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.688 0.595 8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.631 1.308 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.326 2.741 10.195 1.00 0.00 H new ATOM 468 N LEU A 32 5.675 0.474 6.120 1.00 0.00 N ATOM 469 CA LEU A 32 5.638 -0.245 4.866 1.00 0.00 C ATOM 470 C LEU A 32 6.955 -0.990 4.738 1.00 0.00 C ATOM 471 O LEU A 32 7.003 -2.137 4.295 1.00 0.00 O ATOM 472 CB LEU A 32 5.431 0.740 3.703 1.00 0.00 C ATOM 473 CG LEU A 32 5.148 -0.020 2.389 1.00 0.00 C ATOM 474 CD1 LEU A 32 3.656 -0.370 2.305 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.531 0.850 1.178 1.00 0.00 C ATOM 0 H LEU A 32 5.639 1.489 6.028 1.00 0.00 H new ATOM 0 HA LEU A 32 4.809 -0.952 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.600 1.408 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.318 1.363 3.585 1.00 0.00 H new ATOM 0 HG LEU A 32 5.743 -0.933 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.460 -0.906 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.381 -0.999 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.066 0.546 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.327 0.303 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.946 1.770 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.592 1.095 1.227 1.00 0.00 H new ATOM 487 N GLY A 33 8.026 -0.331 5.163 1.00 0.00 N ATOM 488 CA GLY A 33 9.338 -0.946 5.125 1.00 0.00 C ATOM 489 C GLY A 33 9.371 -2.172 6.032 1.00 0.00 C ATOM 490 O GLY A 33 9.820 -3.235 5.623 1.00 0.00 O ATOM 0 H GLY A 33 8.009 0.619 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.583 -1.234 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.094 -0.228 5.444 1.00 0.00 H new ATOM 494 N THR A 34 8.871 -2.029 7.268 1.00 0.00 N ATOM 495 CA THR A 34 8.847 -3.162 8.200 1.00 0.00 C ATOM 496 C THR A 34 8.288 -4.370 7.467 1.00 0.00 C ATOM 497 O THR A 34 8.832 -5.473 7.510 1.00 0.00 O ATOM 498 CB THR A 34 7.922 -2.827 9.385 1.00 0.00 C ATOM 499 OG1 THR A 34 8.236 -1.537 9.885 1.00 0.00 O ATOM 500 CG2 THR A 34 8.083 -3.864 10.501 1.00 0.00 C ATOM 0 H THR A 34 8.486 -1.160 7.638 1.00 0.00 H new ATOM 0 HA THR A 34 9.852 -3.368 8.568 1.00 0.00 H new ATOM 0 HB THR A 34 6.889 -2.844 9.038 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.645 -1.325 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.422 -3.612 11.330 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.826 -4.852 10.119 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.116 -3.867 10.848 1.00 0.00 H new ATOM 508 N VAL A 35 7.177 -4.119 6.814 1.00 0.00 N ATOM 509 CA VAL A 35 6.478 -5.136 6.058 1.00 0.00 C ATOM 510 C VAL A 35 7.329 -5.643 4.893 1.00 0.00 C ATOM 511 O VAL A 35 7.533 -6.848 4.748 1.00 0.00 O ATOM 512 CB VAL A 35 5.166 -4.522 5.571 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.468 -5.447 4.576 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.271 -4.276 6.787 1.00 0.00 C ATOM 0 H VAL A 35 6.730 -3.202 6.791 1.00 0.00 H new ATOM 0 HA VAL A 35 6.275 -6.004 6.685 1.00 0.00 H new ATOM 0 HB VAL A 35 5.370 -3.582 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.537 -4.988 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.117 -5.613 3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.251 -6.401 5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.328 -3.837 6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.076 -5.222 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.771 -3.593 7.474 1.00 0.00 H new ATOM 524 N MET A 36 7.842 -4.730 4.073 1.00 0.00 N ATOM 525 CA MET A 36 8.679 -5.134 2.946 1.00 0.00 C ATOM 526 C MET A 36 9.953 -5.803 3.470 1.00 0.00 C ATOM 527 O MET A 36 10.356 -6.866 2.996 1.00 0.00 O ATOM 528 CB MET A 36 9.026 -3.892 2.115 1.00 0.00 C ATOM 529 CG MET A 36 7.836 -3.516 1.224 1.00 0.00 C ATOM 530 SD MET A 36 7.626 -4.762 -0.073 1.00 0.00 S ATOM 531 CE MET A 36 6.141 -4.054 -0.828 1.00 0.00 C ATOM 0 H MET A 36 7.697 -3.724 4.163 1.00 0.00 H new ATOM 0 HA MET A 36 8.146 -5.847 2.318 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.276 -3.060 2.774 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.905 -4.088 1.501 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.929 -3.445 1.824 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.000 -2.536 0.777 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.828 -4.675 -1.668 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.341 -4.014 -0.089 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.358 -3.047 -1.183 1.00 0.00 H new ATOM 541 N ARG A 37 10.548 -5.168 4.472 1.00 0.00 N ATOM 542 CA ARG A 37 11.758 -5.671 5.115 1.00 0.00 C ATOM 543 C ARG A 37 11.604 -7.140 5.449 1.00 0.00 C ATOM 544 O ARG A 37 12.421 -7.981 5.076 1.00 0.00 O ATOM 545 CB ARG A 37 11.969 -4.900 6.421 1.00 0.00 C ATOM 546 CG ARG A 37 13.150 -5.478 7.212 1.00 0.00 C ATOM 547 CD ARG A 37 14.395 -5.531 6.327 1.00 0.00 C ATOM 548 NE ARG A 37 15.599 -5.586 7.145 1.00 0.00 N ATOM 549 CZ ARG A 37 16.800 -5.372 6.615 1.00 0.00 C ATOM 550 NH1 ARG A 37 16.917 -5.088 5.345 1.00 0.00 N ATOM 551 NH2 ARG A 37 17.864 -5.439 7.366 1.00 0.00 N ATOM 0 H ARG A 37 10.206 -4.290 4.863 1.00 0.00 H new ATOM 0 HA ARG A 37 12.604 -5.541 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.153 -3.848 6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.063 -4.946 7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.345 -4.864 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.905 -6.478 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.350 -6.405 5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.427 -4.654 5.681 1.00 0.00 H new ATOM 0 HE ARG A 37 15.520 -5.792 8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.086 -5.030 4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.840 -4.924 4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.775 -5.655 8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.786 -5.275 6.961 1.00 0.00 H new ATOM 565 N SER A 38 10.539 -7.414 6.173 1.00 0.00 N ATOM 566 CA SER A 38 10.227 -8.770 6.607 1.00 0.00 C ATOM 567 C SER A 38 9.987 -9.700 5.420 1.00 0.00 C ATOM 568 O SER A 38 10.347 -10.877 5.461 1.00 0.00 O ATOM 569 CB SER A 38 8.976 -8.749 7.486 1.00 0.00 C ATOM 570 OG SER A 38 9.293 -8.173 8.745 1.00 0.00 O ATOM 0 H SER A 38 9.866 -6.711 6.479 1.00 0.00 H new ATOM 0 HA SER A 38 11.082 -9.146 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.186 -8.176 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.597 -9.762 7.622 1.00 0.00 H new ATOM 0 HG SER A 38 9.217 -7.198 8.687 1.00 0.00 H new ATOM 576 N LEU A 39 9.354 -9.172 4.379 1.00 0.00 N ATOM 577 CA LEU A 39 9.040 -9.970 3.197 1.00 0.00 C ATOM 578 C LEU A 39 10.301 -10.331 2.403 1.00 0.00 C ATOM 579 O LEU A 39 10.262 -10.427 1.177 1.00 0.00 O ATOM 580 CB LEU A 39 8.044 -9.205 2.300 1.00 0.00 C ATOM 581 CG LEU A 39 6.632 -9.190 2.939 1.00 0.00 C ATOM 582 CD1 LEU A 39 5.745 -8.165 2.214 1.00 0.00 C ATOM 583 CD2 LEU A 39 5.971 -10.583 2.838 1.00 0.00 C ATOM 0 H LEU A 39 9.049 -8.200 4.328 1.00 0.00 H new ATOM 0 HA LEU A 39 8.587 -10.903 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.392 -8.183 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.999 -9.673 1.317 1.00 0.00 H new ATOM 0 HG LEU A 39 6.736 -8.919 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.753 -8.158 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.190 -7.174 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.662 -8.436 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.981 -10.550 3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.880 -10.867 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.586 -11.316 3.360 1.00 0.00 H new ATOM 595 N GLY A 40 11.412 -10.558 3.102 1.00 0.00 N ATOM 596 CA GLY A 40 12.660 -10.937 2.435 1.00 0.00 C ATOM 597 C GLY A 40 13.097 -9.877 1.434 1.00 0.00 C ATOM 598 O GLY A 40 14.096 -10.043 0.734 1.00 0.00 O ATOM 0 H GLY A 40 11.476 -10.488 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.443 -11.082 3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.526 -11.890 1.923 1.00 0.00 H new ATOM 602 N GLN A 41 12.350 -8.782 1.378 1.00 0.00 N ATOM 603 CA GLN A 41 12.667 -7.682 0.469 1.00 0.00 C ATOM 604 C GLN A 41 13.437 -6.601 1.224 1.00 0.00 C ATOM 605 O GLN A 41 13.241 -6.426 2.423 1.00 0.00 O ATOM 606 CB GLN A 41 11.373 -7.091 -0.100 1.00 0.00 C ATOM 607 CG GLN A 41 10.750 -8.056 -1.110 1.00 0.00 C ATOM 608 CD GLN A 41 9.440 -7.478 -1.631 1.00 0.00 C ATOM 609 OE1 GLN A 41 8.527 -7.203 -0.852 1.00 0.00 O ATOM 610 NE2 GLN A 41 9.294 -7.272 -2.911 1.00 0.00 N ATOM 0 H GLN A 41 11.520 -8.629 1.950 1.00 0.00 H new ATOM 0 HA GLN A 41 13.280 -8.057 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.668 -6.894 0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.582 -6.135 -0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.439 -8.226 -1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.571 -9.023 -0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.052 -7.501 -3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.422 -6.882 -3.269 1.00 0.00 H new ATOM 619 N ASN A 42 14.321 -5.887 0.524 1.00 0.00 N ATOM 620 CA ASN A 42 15.114 -4.827 1.159 1.00 0.00 C ATOM 621 C ASN A 42 15.406 -3.693 0.181 1.00 0.00 C ATOM 622 O ASN A 42 16.558 -3.472 -0.190 1.00 0.00 O ATOM 623 CB ASN A 42 16.440 -5.397 1.663 1.00 0.00 C ATOM 624 CG ASN A 42 16.200 -6.717 2.385 1.00 0.00 C ATOM 625 OD1 ASN A 42 15.494 -6.753 3.390 1.00 0.00 O ATOM 626 ND2 ASN A 42 16.752 -7.808 1.930 1.00 0.00 N ATOM 0 H ASN A 42 14.506 -6.019 -0.470 1.00 0.00 H new ATOM 0 HA ASN A 42 14.533 -4.433 1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.121 -5.550 0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.918 -4.686 2.337 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.598 -8.695 2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.337 -7.774 1.095 1.00 0.00 H new ATOM 633 N PRO A 43 14.405 -2.966 -0.235 1.00 0.00 N ATOM 634 CA PRO A 43 14.586 -1.829 -1.182 1.00 0.00 C ATOM 635 C PRO A 43 15.398 -0.701 -0.566 1.00 0.00 C ATOM 636 O PRO A 43 15.434 -0.546 0.655 1.00 0.00 O ATOM 637 CB PRO A 43 13.146 -1.372 -1.463 1.00 0.00 C ATOM 638 CG PRO A 43 12.296 -2.534 -1.086 1.00 0.00 C ATOM 639 CD PRO A 43 12.988 -3.130 0.128 1.00 0.00 C ATOM 0 HA PRO A 43 15.134 -2.118 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.890 -0.489 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.013 -1.109 -2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.279 -2.222 -0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 43 12.228 -3.257 -1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.735 -2.600 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.722 -4.176 0.280 1.00 0.00 H new ATOM 647 N THR A 44 16.003 0.124 -1.412 1.00 0.00 N ATOM 648 CA THR A 44 16.752 1.265 -0.916 1.00 0.00 C ATOM 649 C THR A 44 15.773 2.389 -0.641 1.00 0.00 C ATOM 650 O THR A 44 14.623 2.331 -1.072 1.00 0.00 O ATOM 651 CB THR A 44 17.808 1.702 -1.936 1.00 0.00 C ATOM 652 OG1 THR A 44 17.241 1.676 -3.235 1.00 0.00 O ATOM 653 CG2 THR A 44 19.007 0.756 -1.873 1.00 0.00 C ATOM 0 H THR A 44 15.989 0.025 -2.427 1.00 0.00 H new ATOM 0 HA THR A 44 17.276 0.997 0.001 1.00 0.00 H new ATOM 0 HB THR A 44 18.142 2.714 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.913 1.956 -3.891 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.756 1.070 -2.600 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.439 0.782 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.682 -0.259 -2.102 1.00 0.00 H new ATOM 661 N GLU A 45 16.209 3.390 0.095 1.00 0.00 N ATOM 662 CA GLU A 45 15.325 4.490 0.439 1.00 0.00 C ATOM 663 C GLU A 45 14.747 5.169 -0.799 1.00 0.00 C ATOM 664 O GLU A 45 13.565 5.514 -0.821 1.00 0.00 O ATOM 665 CB GLU A 45 16.084 5.509 1.286 1.00 0.00 C ATOM 666 CG GLU A 45 16.438 4.878 2.634 1.00 0.00 C ATOM 667 CD GLU A 45 15.170 4.648 3.448 1.00 0.00 C ATOM 668 OE1 GLU A 45 14.184 5.309 3.165 1.00 0.00 O ATOM 669 OE2 GLU A 45 15.199 3.811 4.335 1.00 0.00 O ATOM 0 H GLU A 45 17.157 3.467 0.464 1.00 0.00 H new ATOM 0 HA GLU A 45 14.489 4.082 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.990 5.826 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.475 6.400 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.957 3.932 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.120 5.529 3.182 1.00 0.00 H new ATOM 676 N ALA A 46 15.561 5.355 -1.832 1.00 0.00 N ATOM 677 CA ALA A 46 15.070 5.990 -3.051 1.00 0.00 C ATOM 678 C ALA A 46 13.908 5.196 -3.611 1.00 0.00 C ATOM 679 O ALA A 46 12.855 5.741 -3.942 1.00 0.00 O ATOM 680 CB ALA A 46 16.178 6.033 -4.104 1.00 0.00 C ATOM 0 H ALA A 46 16.544 5.082 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 46 14.750 7.003 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.801 6.509 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.023 6.603 -3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.500 5.018 -4.335 1.00 0.00 H new ATOM 686 N GLU A 47 14.132 3.902 -3.733 1.00 0.00 N ATOM 687 CA GLU A 47 13.141 2.997 -4.276 1.00 0.00 C ATOM 688 C GLU A 47 11.813 3.117 -3.530 1.00 0.00 C ATOM 689 O GLU A 47 10.757 3.205 -4.151 1.00 0.00 O ATOM 690 CB GLU A 47 13.706 1.576 -4.183 1.00 0.00 C ATOM 691 CG GLU A 47 14.916 1.483 -5.120 1.00 0.00 C ATOM 692 CD GLU A 47 15.586 0.116 -5.025 1.00 0.00 C ATOM 693 OE1 GLU A 47 15.733 -0.378 -3.919 1.00 0.00 O ATOM 694 OE2 GLU A 47 15.953 -0.412 -6.062 1.00 0.00 O ATOM 0 H GLU A 47 15.005 3.450 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 47 12.934 3.249 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.000 1.349 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.948 0.846 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.598 1.664 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.636 2.262 -4.867 1.00 0.00 H new ATOM 701 N LEU A 48 11.868 3.113 -2.201 1.00 0.00 N ATOM 702 CA LEU A 48 10.653 3.215 -1.386 1.00 0.00 C ATOM 703 C LEU A 48 9.992 4.576 -1.527 1.00 0.00 C ATOM 704 O LEU A 48 8.783 4.673 -1.732 1.00 0.00 O ATOM 705 CB LEU A 48 11.011 3.034 0.081 1.00 0.00 C ATOM 706 CG LEU A 48 11.683 1.688 0.281 1.00 0.00 C ATOM 707 CD1 LEU A 48 12.135 1.573 1.740 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.713 0.544 -0.076 1.00 0.00 C ATOM 0 H LEU A 48 12.733 3.041 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 48 9.966 2.442 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.676 3.835 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.113 3.098 0.695 1.00 0.00 H new ATOM 0 HG LEU A 48 12.549 1.610 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.620 0.609 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.839 2.374 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.269 1.654 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.210 -0.414 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.833 0.600 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.409 0.637 -1.119 1.00 0.00 H new ATOM 720 N GLN A 49 10.804 5.619 -1.421 1.00 0.00 N ATOM 721 CA GLN A 49 10.307 6.983 -1.534 1.00 0.00 C ATOM 722 C GLN A 49 9.692 7.187 -2.906 1.00 0.00 C ATOM 723 O GLN A 49 8.669 7.838 -3.053 1.00 0.00 O ATOM 724 CB GLN A 49 11.459 7.971 -1.353 1.00 0.00 C ATOM 725 CG GLN A 49 11.931 7.961 0.101 1.00 0.00 C ATOM 726 CD GLN A 49 10.856 8.570 0.994 1.00 0.00 C ATOM 727 OE1 GLN A 49 10.370 9.665 0.717 1.00 0.00 O ATOM 728 NE2 GLN A 49 10.451 7.923 2.052 1.00 0.00 N ATOM 0 H GLN A 49 11.808 5.547 -1.257 1.00 0.00 H new ATOM 0 HA GLN A 49 9.556 7.153 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.284 7.706 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.137 8.974 -1.633 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.145 6.940 0.417 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.859 8.525 0.196 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.855 7.015 2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.730 8.325 2.651 1.00 0.00 H new ATOM 737 N ASP A 50 10.346 6.623 -3.904 1.00 0.00 N ATOM 738 CA ASP A 50 9.894 6.731 -5.268 1.00 0.00 C ATOM 739 C ASP A 50 8.679 5.845 -5.506 1.00 0.00 C ATOM 740 O ASP A 50 7.752 6.220 -6.227 1.00 0.00 O ATOM 741 CB ASP A 50 11.047 6.321 -6.178 1.00 0.00 C ATOM 742 CG ASP A 50 12.129 7.398 -6.153 1.00 0.00 C ATOM 743 OD1 ASP A 50 11.851 8.479 -5.659 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.218 7.127 -6.628 1.00 0.00 O ATOM 0 H ASP A 50 11.202 6.080 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 50 9.593 7.756 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.461 5.368 -5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.686 6.178 -7.197 1.00 0.00 H new ATOM 749 N MET A 51 8.694 4.665 -4.901 1.00 0.00 N ATOM 750 CA MET A 51 7.592 3.729 -5.056 1.00 0.00 C ATOM 751 C MET A 51 6.305 4.323 -4.503 1.00 0.00 C ATOM 752 O MET A 51 5.259 4.313 -5.155 1.00 0.00 O ATOM 753 CB MET A 51 7.912 2.433 -4.294 1.00 0.00 C ATOM 754 CG MET A 51 6.780 1.417 -4.473 1.00 0.00 C ATOM 755 SD MET A 51 6.638 0.968 -6.221 1.00 0.00 S ATOM 756 CE MET A 51 7.773 -0.440 -6.200 1.00 0.00 C ATOM 0 H MET A 51 9.452 4.336 -4.303 1.00 0.00 H new ATOM 0 HA MET A 51 7.460 3.519 -6.117 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.849 2.011 -4.658 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.050 2.651 -3.235 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.977 0.528 -3.874 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.840 1.839 -4.118 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.834 -0.873 -7.198 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.763 -0.105 -5.889 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.408 -1.191 -5.500 1.00 0.00 H new ATOM 766 N ILE A 52 6.414 4.845 -3.289 1.00 0.00 N ATOM 767 CA ILE A 52 5.289 5.450 -2.597 1.00 0.00 C ATOM 768 C ILE A 52 4.912 6.784 -3.222 1.00 0.00 C ATOM 769 O ILE A 52 3.737 7.090 -3.369 1.00 0.00 O ATOM 770 CB ILE A 52 5.648 5.627 -1.107 1.00 0.00 C ATOM 771 CG1 ILE A 52 4.398 5.952 -0.299 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.656 6.764 -0.923 1.00 0.00 C ATOM 773 CD1 ILE A 52 4.716 5.836 1.192 1.00 0.00 C ATOM 0 H ILE A 52 7.285 4.860 -2.758 1.00 0.00 H new ATOM 0 HA ILE A 52 4.423 4.794 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 52 6.086 4.692 -0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.052 6.959 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.591 5.269 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.895 6.871 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.566 6.537 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.226 7.695 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.824 6.068 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.042 4.820 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.510 6.537 1.450 1.00 0.00 H new ATOM 785 N ASN A 53 5.926 7.574 -3.566 1.00 0.00 N ATOM 786 CA ASN A 53 5.728 8.903 -4.153 1.00 0.00 C ATOM 787 C ASN A 53 5.040 8.873 -5.526 1.00 0.00 C ATOM 788 O ASN A 53 4.242 9.756 -5.835 1.00 0.00 O ATOM 789 CB ASN A 53 7.076 9.617 -4.265 1.00 0.00 C ATOM 790 CG ASN A 53 6.909 10.958 -4.962 1.00 0.00 C ATOM 791 OD1 ASN A 53 5.828 11.545 -4.926 1.00 0.00 O ATOM 792 ND2 ASN A 53 7.922 11.484 -5.592 1.00 0.00 N ATOM 0 H ASN A 53 6.906 7.315 -3.448 1.00 0.00 H new ATOM 0 HA ASN A 53 5.058 9.444 -3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.499 9.766 -3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.779 8.996 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.820 12.386 -6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.816 10.994 -5.619 1.00 0.00 H new ATOM 799 N GLU A 54 5.374 7.896 -6.372 1.00 0.00 N ATOM 800 CA GLU A 54 4.799 7.825 -7.710 1.00 0.00 C ATOM 801 C GLU A 54 3.284 7.681 -7.645 1.00 0.00 C ATOM 802 O GLU A 54 2.536 8.481 -8.214 1.00 0.00 O ATOM 803 CB GLU A 54 5.406 6.603 -8.417 1.00 0.00 C ATOM 804 CG GLU A 54 5.069 6.620 -9.903 1.00 0.00 C ATOM 805 CD GLU A 54 5.780 5.464 -10.612 1.00 0.00 C ATOM 806 OE1 GLU A 54 6.340 4.629 -9.921 1.00 0.00 O ATOM 807 OE2 GLU A 54 5.759 5.438 -11.832 1.00 0.00 O ATOM 0 H GLU A 54 6.035 7.150 -6.154 1.00 0.00 H new ATOM 0 HA GLU A 54 5.023 8.742 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.488 6.600 -8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.026 5.688 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.991 6.535 -10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.373 7.570 -10.343 1.00 0.00 H new ATOM 814 N VAL A 55 2.858 6.659 -6.931 1.00 0.00 N ATOM 815 CA VAL A 55 1.447 6.372 -6.753 1.00 0.00 C ATOM 816 C VAL A 55 0.775 7.441 -5.923 1.00 0.00 C ATOM 817 O VAL A 55 -0.439 7.421 -5.711 1.00 0.00 O ATOM 818 CB VAL A 55 1.302 5.037 -6.033 1.00 0.00 C ATOM 819 CG1 VAL A 55 2.031 5.108 -4.678 1.00 0.00 C ATOM 820 CG2 VAL A 55 -0.189 4.732 -5.805 1.00 0.00 C ATOM 0 H VAL A 55 3.479 6.003 -6.457 1.00 0.00 H new ATOM 0 HA VAL A 55 0.975 6.340 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 55 1.740 4.245 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.929 4.154 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.087 5.320 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.593 5.900 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.290 3.777 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.633 5.521 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.701 4.682 -6.766 1.00 0.00 H new ATOM 830 N ASP A 56 1.581 8.352 -5.412 1.00 0.00 N ATOM 831 CA ASP A 56 1.074 9.409 -4.561 1.00 0.00 C ATOM 832 C ASP A 56 0.453 10.529 -5.400 1.00 0.00 C ATOM 833 O ASP A 56 1.050 11.594 -5.573 1.00 0.00 O ATOM 834 CB ASP A 56 2.251 9.919 -3.711 1.00 0.00 C ATOM 835 CG ASP A 56 1.807 10.388 -2.332 1.00 0.00 C ATOM 836 OD1 ASP A 56 0.845 11.120 -2.256 1.00 0.00 O ATOM 837 OD2 ASP A 56 2.444 9.996 -1.364 1.00 0.00 O ATOM 0 H ASP A 56 2.588 8.381 -5.572 1.00 0.00 H new ATOM 0 HA ASP A 56 0.283 9.037 -3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.989 9.124 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.743 10.741 -4.231 1.00 0.00 H new ATOM 842 N ALA A 57 -0.748 10.271 -5.922 1.00 0.00 N ATOM 843 CA ALA A 57 -1.454 11.252 -6.742 1.00 0.00 C ATOM 844 C ALA A 57 -1.447 12.613 -6.059 1.00 0.00 C ATOM 845 O ALA A 57 -1.582 13.650 -6.709 1.00 0.00 O ATOM 846 CB ALA A 57 -2.905 10.809 -6.940 1.00 0.00 C ATOM 0 H ALA A 57 -1.249 9.392 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.950 11.326 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.429 11.543 -7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.925 9.840 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.396 10.728 -5.970 1.00 0.00 H new ATOM 852 N ASP A 58 -1.309 12.590 -4.735 1.00 0.00 N ATOM 853 CA ASP A 58 -1.298 13.817 -3.933 1.00 0.00 C ATOM 854 C ASP A 58 0.127 14.234 -3.581 1.00 0.00 C ATOM 855 O ASP A 58 0.477 15.409 -3.676 1.00 0.00 O ATOM 856 CB ASP A 58 -2.099 13.593 -2.651 1.00 0.00 C ATOM 857 CG ASP A 58 -1.613 12.333 -1.944 1.00 0.00 C ATOM 858 OD1 ASP A 58 -1.468 11.323 -2.610 1.00 0.00 O ATOM 859 OD2 ASP A 58 -1.392 12.396 -0.746 1.00 0.00 O ATOM 0 H ASP A 58 -1.203 11.734 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.750 14.616 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.992 14.454 -1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.159 13.501 -2.887 1.00 0.00 H new ATOM 864 N GLY A 59 0.941 13.272 -3.166 1.00 0.00 N ATOM 865 CA GLY A 59 2.329 13.557 -2.792 1.00 0.00 C ATOM 866 C GLY A 59 2.468 13.813 -1.291 1.00 0.00 C ATOM 867 O GLY A 59 3.359 14.545 -0.858 1.00 0.00 O ATOM 0 H GLY A 59 0.671 12.292 -3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.963 12.718 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.684 14.427 -3.344 1.00 0.00 H new ATOM 871 N ASN A 60 1.590 13.197 -0.504 1.00 0.00 N ATOM 872 CA ASN A 60 1.630 13.356 0.948 1.00 0.00 C ATOM 873 C ASN A 60 2.833 12.630 1.552 1.00 0.00 C ATOM 874 O ASN A 60 3.245 12.931 2.671 1.00 0.00 O ATOM 875 CB ASN A 60 0.338 12.817 1.567 1.00 0.00 C ATOM 876 CG ASN A 60 0.134 11.360 1.161 1.00 0.00 C ATOM 877 OD1 ASN A 60 1.010 10.778 0.396 1.00 0.00 O flip ATOM 878 ND2 ASN A 60 -0.855 10.738 1.547 1.00 0.00 N flip ATOM 0 H ASN A 60 0.847 12.587 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 60 1.726 14.419 1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.384 12.898 2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.511 13.417 1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.542 11.194 2.147 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.988 9.766 1.267 1.00 0.00 H new ATOM 885 N GLY A 61 3.398 11.672 0.817 1.00 0.00 N ATOM 886 CA GLY A 61 4.556 10.924 1.304 1.00 0.00 C ATOM 887 C GLY A 61 4.136 9.706 2.119 1.00 0.00 C ATOM 888 O GLY A 61 4.963 8.854 2.438 1.00 0.00 O ATOM 0 H GLY A 61 3.075 11.397 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.165 10.604 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.179 11.575 1.917 1.00 0.00 H new ATOM 892 N THR A 62 2.846 9.611 2.429 1.00 0.00 N ATOM 893 CA THR A 62 2.328 8.470 3.183 1.00 0.00 C ATOM 894 C THR A 62 1.088 7.939 2.489 1.00 0.00 C ATOM 895 O THR A 62 0.568 8.568 1.564 1.00 0.00 O ATOM 896 CB THR A 62 2.036 8.865 4.634 1.00 0.00 C ATOM 897 OG1 THR A 62 0.997 9.833 4.683 1.00 0.00 O ATOM 898 CG2 THR A 62 3.313 9.433 5.250 1.00 0.00 C ATOM 0 H THR A 62 2.143 10.304 2.173 1.00 0.00 H new ATOM 0 HA THR A 62 3.079 7.680 3.213 1.00 0.00 H new ATOM 0 HB THR A 62 1.711 7.989 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.819 10.075 5.616 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.122 9.719 6.284 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.098 8.677 5.222 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.632 10.308 4.684 1.00 0.00 H new ATOM 906 N ILE A 63 0.647 6.757 2.890 1.00 0.00 N ATOM 907 CA ILE A 63 -0.502 6.130 2.242 1.00 0.00 C ATOM 908 C ILE A 63 -1.773 6.317 3.047 1.00 0.00 C ATOM 909 O ILE A 63 -1.833 5.946 4.218 1.00 0.00 O ATOM 910 CB ILE A 63 -0.234 4.633 2.089 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.205 4.429 1.611 1.00 0.00 C ATOM 912 CG2 ILE A 63 -1.201 4.033 1.066 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.474 2.939 1.413 1.00 0.00 C ATOM 0 H ILE A 63 1.058 6.216 3.650 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.639 6.604 1.270 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.379 4.138 3.049 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.368 4.965 0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.903 4.841 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.004 2.966 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.227 4.182 1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.062 4.523 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.500 2.797 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.329 2.414 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.786 2.541 0.667 1.00 0.00 H new ATOM 925 N ASP A 64 -2.799 6.844 2.391 1.00 0.00 N ATOM 926 CA ASP A 64 -4.099 7.023 3.015 1.00 0.00 C ATOM 927 C ASP A 64 -4.911 5.805 2.603 1.00 0.00 C ATOM 928 O ASP A 64 -4.356 4.893 1.998 1.00 0.00 O ATOM 929 CB ASP A 64 -4.763 8.309 2.515 1.00 0.00 C ATOM 930 CG ASP A 64 -3.988 9.535 3.000 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.147 9.377 3.870 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.249 10.614 2.494 1.00 0.00 O ATOM 0 H ASP A 64 -2.753 7.156 1.421 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.022 7.112 4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.804 8.305 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.792 8.357 2.872 1.00 0.00 H new ATOM 937 N PHE A 65 -6.198 5.742 2.886 1.00 0.00 N ATOM 938 CA PHE A 65 -6.941 4.557 2.457 1.00 0.00 C ATOM 939 C PHE A 65 -7.145 4.529 0.927 1.00 0.00 C ATOM 940 O PHE A 65 -6.767 3.553 0.286 1.00 0.00 O ATOM 941 CB PHE A 65 -8.275 4.439 3.174 1.00 0.00 C ATOM 942 CG PHE A 65 -9.017 3.263 2.594 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.489 1.974 2.738 1.00 0.00 C ATOM 944 CD2 PHE A 65 -10.218 3.456 1.913 1.00 0.00 C ATOM 945 CE1 PHE A 65 -9.171 0.884 2.215 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.902 2.362 1.387 1.00 0.00 C ATOM 947 CZ PHE A 65 -10.383 1.072 1.540 1.00 0.00 C ATOM 0 H PHE A 65 -6.735 6.452 3.384 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.334 3.694 2.730 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.121 4.301 4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.855 5.353 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.552 1.828 3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.618 4.452 1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.766 -0.111 2.329 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.833 2.510 0.861 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.916 0.223 1.138 1.00 0.00 H new ATOM 957 N PRO A 66 -7.728 5.536 0.311 1.00 0.00 N ATOM 958 CA PRO A 66 -7.945 5.527 -1.176 1.00 0.00 C ATOM 959 C PRO A 66 -6.634 5.346 -1.942 1.00 0.00 C ATOM 960 O PRO A 66 -6.581 4.626 -2.938 1.00 0.00 O ATOM 961 CB PRO A 66 -8.577 6.901 -1.453 1.00 0.00 C ATOM 962 CG PRO A 66 -8.170 7.730 -0.283 1.00 0.00 C ATOM 963 CD PRO A 66 -8.245 6.781 0.903 1.00 0.00 C ATOM 0 HA PRO A 66 -8.572 4.698 -1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.213 7.326 -2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.662 6.832 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.163 8.128 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.835 8.583 -0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.636 7.121 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.263 6.667 1.275 1.00 0.00 H new ATOM 971 N GLU A 67 -5.574 5.987 -1.458 1.00 0.00 N ATOM 972 CA GLU A 67 -4.267 5.860 -2.094 1.00 0.00 C ATOM 973 C GLU A 67 -3.924 4.391 -2.176 1.00 0.00 C ATOM 974 O GLU A 67 -3.557 3.868 -3.231 1.00 0.00 O ATOM 975 CB GLU A 67 -3.213 6.569 -1.246 1.00 0.00 C ATOM 976 CG GLU A 67 -3.472 8.075 -1.246 1.00 0.00 C ATOM 977 CD GLU A 67 -3.005 8.686 -2.561 1.00 0.00 C ATOM 978 OE1 GLU A 67 -2.356 7.989 -3.323 1.00 0.00 O ATOM 979 OE2 GLU A 67 -3.299 9.846 -2.786 1.00 0.00 O ATOM 0 H GLU A 67 -5.593 6.593 -0.637 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.290 6.307 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.238 6.187 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.218 6.362 -1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.535 8.269 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.948 8.542 -0.412 1.00 0.00 H new ATOM 986 N PHE A 68 -4.084 3.732 -1.045 1.00 0.00 N ATOM 987 CA PHE A 68 -3.824 2.319 -0.953 1.00 0.00 C ATOM 988 C PHE A 68 -4.682 1.556 -1.971 1.00 0.00 C ATOM 989 O PHE A 68 -4.195 0.650 -2.637 1.00 0.00 O ATOM 990 CB PHE A 68 -4.078 1.841 0.490 1.00 0.00 C ATOM 991 CG PHE A 68 -3.969 0.343 0.566 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.713 -0.265 0.488 1.00 0.00 C ATOM 993 CD2 PHE A 68 -5.119 -0.443 0.715 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.602 -1.656 0.552 1.00 0.00 C ATOM 995 CE2 PHE A 68 -5.005 -1.837 0.775 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.750 -2.441 0.692 1.00 0.00 C ATOM 0 H PHE A 68 -4.395 4.162 -0.174 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.780 2.118 -1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.357 2.300 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.068 2.158 0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.826 0.342 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.090 0.025 0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.631 -2.124 0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.890 -2.446 0.886 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.665 -3.517 0.736 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.953 1.927 -2.115 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.822 1.250 -3.089 1.00 0.00 C ATOM 1008 C LEU A 69 -6.291 1.431 -4.513 1.00 0.00 C ATOM 1009 O LEU A 69 -6.231 0.476 -5.290 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.256 1.815 -3.004 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.944 1.386 -1.688 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -10.357 1.991 -1.616 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -9.052 -0.144 -1.630 1.00 0.00 C ATOM 0 H LEU A 69 -6.401 2.675 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.832 0.187 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.226 2.903 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.840 1.464 -3.855 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.348 1.743 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.837 1.685 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.289 3.078 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.947 1.639 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.538 -0.439 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.641 -0.500 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.054 -0.581 -1.673 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.896 2.654 -4.840 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.357 2.960 -6.164 1.00 0.00 C ATOM 1027 C ASN A 70 -4.155 2.069 -6.429 1.00 0.00 C ATOM 1028 O ASN A 70 -4.023 1.428 -7.472 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.903 4.422 -6.151 1.00 0.00 C ATOM 1030 CG ASN A 70 -4.328 4.847 -7.495 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -3.036 4.972 -7.620 1.00 0.00 O flip ATOM 1032 ND2 ASN A 70 -5.070 5.087 -8.445 1.00 0.00 N flip ATOM 0 H ASN A 70 -5.938 3.453 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.108 2.794 -6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.748 5.063 -5.898 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.152 4.563 -5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.080 4.987 -8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.676 5.386 -9.337 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.306 2.045 -5.424 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.081 1.264 -5.408 1.00 0.00 C ATOM 1041 C LEU A 71 -2.403 -0.223 -5.574 1.00 0.00 C ATOM 1042 O LEU A 71 -1.835 -0.911 -6.427 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.461 1.580 -4.037 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.293 0.682 -3.655 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.895 0.959 -4.560 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.088 1.013 -2.209 1.00 0.00 C ATOM 0 H LEU A 71 -3.450 2.583 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.396 1.505 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.123 2.616 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.234 1.495 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.572 -0.366 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.726 0.312 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.617 0.763 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.196 2.001 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.925 0.386 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.376 2.062 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.765 0.827 -1.556 1.00 0.00 H new ATOM 1058 N MET A 72 -3.339 -0.697 -4.763 1.00 0.00 N ATOM 1059 CA MET A 72 -3.787 -2.087 -4.801 1.00 0.00 C ATOM 1060 C MET A 72 -4.488 -2.393 -6.130 1.00 0.00 C ATOM 1061 O MET A 72 -4.272 -3.447 -6.733 1.00 0.00 O ATOM 1062 CB MET A 72 -4.755 -2.317 -3.618 1.00 0.00 C ATOM 1063 CG MET A 72 -4.580 -3.707 -3.018 1.00 0.00 C ATOM 1064 SD MET A 72 -3.000 -3.797 -2.143 1.00 0.00 S ATOM 1065 CE MET A 72 -3.190 -5.493 -1.538 1.00 0.00 C ATOM 0 H MET A 72 -3.811 -0.130 -4.059 1.00 0.00 H new ATOM 0 HA MET A 72 -2.929 -2.754 -4.718 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.580 -1.563 -2.851 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.783 -2.193 -3.958 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.399 -3.924 -2.333 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.615 -4.461 -3.805 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.312 -5.772 -0.956 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.078 -5.558 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.295 -6.172 -2.384 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.334 -1.462 -6.576 1.00 0.00 N ATOM 1076 CA ALA A 73 -6.064 -1.645 -7.829 1.00 0.00 C ATOM 1077 C ALA A 73 -5.091 -1.671 -8.996 1.00 0.00 C ATOM 1078 O ALA A 73 -5.228 -2.473 -9.917 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.072 -0.513 -8.028 1.00 0.00 C ATOM 0 H ALA A 73 -5.528 -0.584 -6.094 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.600 -2.593 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.608 -0.663 -8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.782 -0.508 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.546 0.441 -8.060 1.00 0.00 H new