USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=11 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= -5.46! C(o=-7.7!,f=-11!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -2.24! USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot -117:sc= -0.134! USER MOD Set 3.2: A 8 GLN : amide:sc= -1.11! C(o=-1.2!,f=-7.1!) USER MOD Single : A 10 SER OG : rot 80:sc= 0.544 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0.144 (180deg=0.135) USER MOD Single : A 26 CYS SG : rot -11:sc= -0.994! 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 76:sc= 0.966 USER MOD Single : A 38 SER OG : rot 84:sc= 0.422 USER MOD Single : A 41 GLN : amide:sc= -3.15! C(o=-3.1!,f=-4.8!) USER MOD Single : A 42 ASN : amide:sc= -0.0613 X(o=-0.061,f=-0.061) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.557 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 53 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.2!) USER MOD Single : A 70 ASN : amide:sc= -2.72! C(o=-2.7!,f=-9.1!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 -15.613 -6.460 -5.532 1.00 0.00 N ATOM 62 CA THR A 5 -16.503 -6.978 -4.483 1.00 0.00 C ATOM 63 C THR A 5 -16.150 -6.396 -3.121 1.00 0.00 C ATOM 64 O THR A 5 -15.228 -5.592 -2.991 1.00 0.00 O ATOM 65 CB THR A 5 -16.401 -8.503 -4.402 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.057 -8.873 -4.135 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.851 -9.129 -5.721 1.00 0.00 C ATOM 0 HA THR A 5 -17.519 -6.684 -4.746 1.00 0.00 H new ATOM 0 HB THR A 5 -17.046 -8.862 -3.600 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.706 -9.395 -4.886 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.775 -10.214 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.885 -8.850 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 5 -16.214 -8.770 -6.530 1.00 0.00 H new ATOM 75 N ASP A 6 -16.873 -6.844 -2.104 1.00 0.00 N ATOM 76 CA ASP A 6 -16.626 -6.408 -0.739 1.00 0.00 C ATOM 77 C ASP A 6 -15.409 -7.127 -0.186 1.00 0.00 C ATOM 78 O ASP A 6 -14.689 -6.609 0.667 1.00 0.00 O ATOM 79 CB ASP A 6 -17.836 -6.724 0.139 1.00 0.00 C ATOM 80 CG ASP A 6 -18.216 -8.194 -0.016 1.00 0.00 C ATOM 81 OD1 ASP A 6 -17.831 -8.785 -1.010 1.00 0.00 O ATOM 82 OD2 ASP A 6 -18.886 -8.708 0.866 1.00 0.00 O ATOM 0 H ASP A 6 -17.638 -7.512 -2.200 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.450 -5.332 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.607 -6.506 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.677 -6.090 -0.142 1.00 0.00 H new ATOM 87 N GLU A 7 -15.205 -8.344 -0.678 1.00 0.00 N ATOM 88 CA GLU A 7 -14.093 -9.165 -0.233 1.00 0.00 C ATOM 89 C GLU A 7 -12.763 -8.538 -0.617 1.00 0.00 C ATOM 90 O GLU A 7 -11.840 -8.477 0.190 1.00 0.00 O ATOM 91 CB GLU A 7 -14.191 -10.551 -0.870 1.00 0.00 C ATOM 92 CG GLU A 7 -15.439 -11.269 -0.358 1.00 0.00 C ATOM 93 CD GLU A 7 -15.292 -11.565 1.129 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.167 -11.585 1.600 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.305 -11.770 1.776 1.00 0.00 O ATOM 0 H GLU A 7 -15.797 -8.781 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.143 -9.244 0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.232 -10.460 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.301 -11.134 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.321 -10.652 -0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.588 -12.197 -0.910 1.00 0.00 H new ATOM 102 N GLN A 8 -12.670 -8.065 -1.850 1.00 0.00 N ATOM 103 CA GLN A 8 -11.440 -7.442 -2.313 1.00 0.00 C ATOM 104 C GLN A 8 -11.250 -6.100 -1.626 1.00 0.00 C ATOM 105 O GLN A 8 -10.130 -5.632 -1.445 1.00 0.00 O ATOM 106 CB GLN A 8 -11.491 -7.264 -3.843 1.00 0.00 C ATOM 107 CG GLN A 8 -10.987 -8.536 -4.536 1.00 0.00 C ATOM 108 CD GLN A 8 -11.839 -9.735 -4.131 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.975 -9.872 -4.583 1.00 0.00 O ATOM 110 NE2 GLN A 8 -11.357 -10.617 -3.297 1.00 0.00 N ATOM 0 H GLN A 8 -13.420 -8.099 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.594 -8.082 -2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.512 -7.048 -4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.879 -6.412 -4.139 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.021 -8.406 -5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.945 -8.715 -4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.415 -10.503 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.922 -11.420 -3.020 1.00 0.00 H new ATOM 119 N ILE A 9 -12.356 -5.507 -1.207 1.00 0.00 N ATOM 120 CA ILE A 9 -12.308 -4.227 -0.510 1.00 0.00 C ATOM 121 C ILE A 9 -12.035 -4.453 0.971 1.00 0.00 C ATOM 122 O ILE A 9 -11.075 -3.913 1.520 1.00 0.00 O ATOM 123 CB ILE A 9 -13.625 -3.484 -0.705 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.763 -3.101 -2.182 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.626 -2.218 0.155 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.186 -2.611 -2.452 1.00 0.00 C ATOM 0 H ILE A 9 -13.294 -5.887 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.501 -3.621 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.459 -4.120 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.045 -2.321 -2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.537 -3.960 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.567 -1.685 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.514 -2.491 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.798 -1.575 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.284 -2.339 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.895 -3.404 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.395 -1.740 -1.831 1.00 0.00 H new ATOM 138 N SER A 10 -12.883 -5.238 1.622 1.00 0.00 N ATOM 139 CA SER A 10 -12.701 -5.498 3.026 1.00 0.00 C ATOM 140 C SER A 10 -11.332 -6.129 3.274 1.00 0.00 C ATOM 141 O SER A 10 -10.643 -5.772 4.229 1.00 0.00 O ATOM 142 CB SER A 10 -13.803 -6.427 3.516 1.00 0.00 C ATOM 143 OG SER A 10 -15.064 -5.795 3.339 1.00 0.00 O ATOM 0 H SER A 10 -13.690 -5.696 1.199 1.00 0.00 H new ATOM 0 HA SER A 10 -12.752 -4.557 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.774 -7.367 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.649 -6.669 4.568 1.00 0.00 H new ATOM 0 HG SER A 10 -15.343 -5.878 2.403 1.00 0.00 H new ATOM 149 N GLU A 11 -10.935 -7.053 2.398 1.00 0.00 N ATOM 150 CA GLU A 11 -9.636 -7.702 2.540 1.00 0.00 C ATOM 151 C GLU A 11 -8.528 -6.678 2.341 1.00 0.00 C ATOM 152 O GLU A 11 -7.519 -6.693 3.051 1.00 0.00 O ATOM 153 CB GLU A 11 -9.497 -8.837 1.513 1.00 0.00 C ATOM 154 CG GLU A 11 -8.196 -9.611 1.751 1.00 0.00 C ATOM 155 CD GLU A 11 -7.009 -8.829 1.201 1.00 0.00 C ATOM 156 OE1 GLU A 11 -6.982 -8.594 0.007 1.00 0.00 O ATOM 157 OE2 GLU A 11 -6.138 -8.483 1.985 1.00 0.00 O ATOM 0 H GLU A 11 -11.485 -7.363 1.597 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.556 -8.126 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.349 -9.512 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.505 -8.426 0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.060 -9.789 2.818 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.252 -10.587 1.269 1.00 0.00 H new ATOM 164 N PHE A 12 -8.741 -5.759 1.400 1.00 0.00 N ATOM 165 CA PHE A 12 -7.775 -4.702 1.140 1.00 0.00 C ATOM 166 C PHE A 12 -7.667 -3.793 2.361 1.00 0.00 C ATOM 167 O PHE A 12 -6.576 -3.449 2.812 1.00 0.00 O ATOM 168 CB PHE A 12 -8.271 -3.894 -0.089 1.00 0.00 C ATOM 169 CG PHE A 12 -7.741 -4.505 -1.378 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.543 -5.885 -1.468 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.433 -3.689 -2.482 1.00 0.00 C ATOM 172 CE1 PHE A 12 -7.041 -6.449 -2.631 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.936 -4.266 -3.661 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.738 -5.638 -3.729 1.00 0.00 C ATOM 0 H PHE A 12 -9.572 -5.728 0.809 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.790 -5.123 0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.361 -3.881 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.941 -2.858 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.783 -6.517 -0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.579 -2.621 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.884 -7.516 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.708 -3.644 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.348 -6.081 -4.634 1.00 0.00 H new ATOM 184 N LYS A 13 -8.827 -3.415 2.875 1.00 0.00 N ATOM 185 CA LYS A 13 -8.921 -2.532 4.030 1.00 0.00 C ATOM 186 C LYS A 13 -8.284 -3.156 5.270 1.00 0.00 C ATOM 187 O LYS A 13 -7.523 -2.499 5.980 1.00 0.00 O ATOM 188 CB LYS A 13 -10.405 -2.243 4.281 1.00 0.00 C ATOM 189 CG LYS A 13 -10.577 -0.927 5.043 1.00 0.00 C ATOM 190 CD LYS A 13 -12.070 -0.609 5.144 1.00 0.00 C ATOM 191 CE LYS A 13 -12.266 0.771 5.778 1.00 0.00 C ATOM 192 NZ LYS A 13 -13.723 1.086 5.831 1.00 0.00 N ATOM 0 H LYS A 13 -9.730 -3.711 2.504 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.377 -1.610 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.937 -2.191 3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.849 -3.060 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.140 -1.007 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.053 -0.121 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.524 -0.632 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.573 -1.369 5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.842 0.786 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.739 1.529 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.860 2.023 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.113 1.087 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.213 0.368 6.402 1.00 0.00 H new ATOM 206 N GLU A 14 -8.584 -4.426 5.521 1.00 0.00 N ATOM 207 CA GLU A 14 -8.007 -5.106 6.675 1.00 0.00 C ATOM 208 C GLU A 14 -6.491 -5.096 6.549 1.00 0.00 C ATOM 209 O GLU A 14 -5.769 -4.925 7.533 1.00 0.00 O ATOM 210 CB GLU A 14 -8.517 -6.552 6.740 1.00 0.00 C ATOM 211 CG GLU A 14 -7.936 -7.265 7.968 1.00 0.00 C ATOM 212 CD GLU A 14 -8.500 -8.680 8.057 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.466 -8.955 7.366 1.00 0.00 O ATOM 214 OE2 GLU A 14 -7.957 -9.470 8.813 1.00 0.00 O ATOM 0 H GLU A 14 -9.211 -4.996 4.953 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.302 -4.590 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.606 -6.559 6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.234 -7.086 5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.849 -7.300 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.180 -6.708 8.873 1.00 0.00 H new ATOM 221 N ALA A 15 -6.021 -5.257 5.314 1.00 0.00 N ATOM 222 CA ALA A 15 -4.591 -5.247 5.028 1.00 0.00 C ATOM 223 C ALA A 15 -3.983 -3.907 5.416 1.00 0.00 C ATOM 224 O ALA A 15 -2.900 -3.847 5.996 1.00 0.00 O ATOM 225 CB ALA A 15 -4.364 -5.490 3.531 1.00 0.00 C ATOM 0 H ALA A 15 -6.612 -5.396 4.495 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.113 -6.037 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.295 -5.482 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.782 -6.457 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.853 -4.704 2.956 1.00 0.00 H new ATOM 231 N PHE A 16 -4.665 -2.827 5.060 1.00 0.00 N ATOM 232 CA PHE A 16 -4.183 -1.489 5.343 1.00 0.00 C ATOM 233 C PHE A 16 -4.162 -1.146 6.840 1.00 0.00 C ATOM 234 O PHE A 16 -3.165 -0.624 7.333 1.00 0.00 O ATOM 235 CB PHE A 16 -5.060 -0.505 4.580 1.00 0.00 C ATOM 236 CG PHE A 16 -4.530 0.887 4.761 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.923 1.643 5.865 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.648 1.424 3.818 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.435 2.943 6.030 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.159 2.720 3.979 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.551 3.483 5.085 1.00 0.00 C ATOM 0 H PHE A 16 -5.560 -2.856 4.571 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.144 -1.427 5.020 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.078 -0.763 3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.087 -0.563 4.940 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.604 1.225 6.592 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.345 0.835 2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.739 3.530 6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.478 3.135 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.173 4.487 5.210 1.00 0.00 H new ATOM 251 N SER A 17 -5.239 -1.454 7.573 1.00 0.00 N ATOM 252 CA SER A 17 -5.254 -1.159 9.012 1.00 0.00 C ATOM 253 C SER A 17 -4.173 -1.974 9.686 1.00 0.00 C ATOM 254 O SER A 17 -3.517 -1.528 10.629 1.00 0.00 O ATOM 255 CB SER A 17 -6.619 -1.482 9.636 1.00 0.00 C ATOM 256 OG SER A 17 -6.597 -1.140 11.017 1.00 0.00 O ATOM 0 H SER A 17 -6.085 -1.893 7.210 1.00 0.00 H new ATOM 0 HA SER A 17 -5.070 -0.094 9.155 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.406 -0.928 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.845 -2.541 9.515 1.00 0.00 H new ATOM 0 HG SER A 17 -7.468 -1.344 11.418 1.00 0.00 H new ATOM 262 N LEU A 18 -3.988 -3.174 9.167 1.00 0.00 N ATOM 263 CA LEU A 18 -2.982 -4.094 9.656 1.00 0.00 C ATOM 264 C LEU A 18 -1.597 -3.489 9.442 1.00 0.00 C ATOM 265 O LEU A 18 -0.725 -3.578 10.306 1.00 0.00 O ATOM 266 CB LEU A 18 -3.161 -5.396 8.862 1.00 0.00 C ATOM 267 CG LEU A 18 -2.161 -6.483 9.252 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.267 -6.797 10.747 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.507 -7.737 8.437 1.00 0.00 C ATOM 0 H LEU A 18 -4.537 -3.539 8.388 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.085 -4.291 10.723 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.173 -5.771 9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.058 -5.182 7.798 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.143 -6.150 9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.548 -7.573 11.008 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.054 -5.897 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.275 -7.145 10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.812 -8.538 8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.524 -8.053 8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.431 -7.512 7.373 1.00 0.00 H new ATOM 281 N PHE A 19 -1.410 -2.853 8.286 1.00 0.00 N ATOM 282 CA PHE A 19 -0.134 -2.221 7.971 1.00 0.00 C ATOM 283 C PHE A 19 0.058 -0.942 8.776 1.00 0.00 C ATOM 284 O PHE A 19 1.181 -0.457 8.925 1.00 0.00 O ATOM 285 CB PHE A 19 -0.037 -1.890 6.464 1.00 0.00 C ATOM 286 CG PHE A 19 0.107 -3.160 5.629 1.00 0.00 C ATOM 287 CD1 PHE A 19 1.091 -4.103 5.942 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.742 -3.390 4.533 1.00 0.00 C ATOM 289 CE1 PHE A 19 1.231 -5.260 5.179 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.602 -4.557 3.770 1.00 0.00 C ATOM 291 CZ PHE A 19 0.383 -5.489 4.095 1.00 0.00 C ATOM 0 H PHE A 19 -2.120 -2.763 7.559 1.00 0.00 H new ATOM 0 HA PHE A 19 0.651 -2.930 8.234 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.927 -1.344 6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.817 -1.236 6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.748 -3.933 6.782 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.503 -2.667 4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.997 -5.980 5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.257 -4.735 2.930 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.490 -6.389 3.507 1.00 0.00 H new ATOM 301 N ASP A 20 -1.038 -0.387 9.288 1.00 0.00 N ATOM 302 CA ASP A 20 -0.961 0.852 10.065 1.00 0.00 C ATOM 303 C ASP A 20 -0.694 0.572 11.547 1.00 0.00 C ATOM 304 O ASP A 20 -1.619 0.577 12.361 1.00 0.00 O ATOM 305 CB ASP A 20 -2.279 1.618 9.922 1.00 0.00 C ATOM 306 CG ASP A 20 -2.103 3.053 10.409 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.048 3.348 10.945 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.026 3.832 10.240 1.00 0.00 O ATOM 0 H ASP A 20 -1.979 -0.767 9.182 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.132 1.445 9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.600 1.615 8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.061 1.123 10.498 1.00 0.00 H new ATOM 313 N LYS A 21 0.568 0.317 11.893 1.00 0.00 N ATOM 314 CA LYS A 21 0.925 0.025 13.282 1.00 0.00 C ATOM 315 C LYS A 21 0.403 1.104 14.221 1.00 0.00 C ATOM 316 O LYS A 21 0.186 0.845 15.402 1.00 0.00 O ATOM 317 CB LYS A 21 2.465 -0.086 13.430 1.00 0.00 C ATOM 318 CG LYS A 21 2.903 -1.557 13.385 1.00 0.00 C ATOM 319 CD LYS A 21 2.715 -2.115 11.962 1.00 0.00 C ATOM 320 CE LYS A 21 3.989 -1.879 11.150 1.00 0.00 C ATOM 321 NZ LYS A 21 3.748 -2.236 9.729 1.00 0.00 N ATOM 0 H LYS A 21 1.352 0.306 11.240 1.00 0.00 H new ATOM 0 HA LYS A 21 0.464 -0.925 13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.954 0.470 12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.780 0.365 14.371 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.947 -1.644 13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.318 -2.142 14.095 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.490 -3.181 12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.867 -1.629 11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.293 -0.835 11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.805 -2.479 11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.581 -1.980 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.578 -3.259 9.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.917 -1.719 9.377 1.00 0.00 H new ATOM 335 N ASP A 22 0.231 2.314 13.706 1.00 0.00 N ATOM 336 CA ASP A 22 -0.243 3.427 14.527 1.00 0.00 C ATOM 337 C ASP A 22 -1.714 3.716 14.253 1.00 0.00 C ATOM 338 O ASP A 22 -2.269 4.675 14.787 1.00 0.00 O ATOM 339 CB ASP A 22 0.583 4.673 14.222 1.00 0.00 C ATOM 340 CG ASP A 22 2.069 4.354 14.348 1.00 0.00 C ATOM 341 OD1 ASP A 22 2.473 3.908 15.411 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.779 4.557 13.377 1.00 0.00 O ATOM 0 H ASP A 22 0.410 2.552 12.731 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.132 3.154 15.576 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.363 5.029 13.216 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.315 5.475 14.910 1.00 0.00 H new ATOM 347 N GLY A 23 -2.338 2.887 13.417 1.00 0.00 N ATOM 348 CA GLY A 23 -3.751 3.071 13.076 1.00 0.00 C ATOM 349 C GLY A 23 -4.081 4.557 12.927 1.00 0.00 C ATOM 350 O GLY A 23 -5.192 4.990 13.238 1.00 0.00 O ATOM 0 H GLY A 23 -1.893 2.087 12.966 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.977 2.548 12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.378 2.630 13.851 1.00 0.00 H new ATOM 354 N ASP A 24 -3.096 5.336 12.476 1.00 0.00 N ATOM 355 CA ASP A 24 -3.278 6.778 12.313 1.00 0.00 C ATOM 356 C ASP A 24 -3.870 7.106 10.950 1.00 0.00 C ATOM 357 O ASP A 24 -4.117 8.271 10.637 1.00 0.00 O ATOM 358 CB ASP A 24 -1.938 7.500 12.469 1.00 0.00 C ATOM 359 CG ASP A 24 -0.903 6.913 11.513 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.204 5.910 10.888 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.172 7.479 11.418 1.00 0.00 O ATOM 0 H ASP A 24 -2.170 4.995 12.219 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.969 7.116 13.085 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.065 8.564 12.269 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.586 7.409 13.497 1.00 0.00 H new ATOM 366 N GLY A 25 -4.104 6.078 10.144 1.00 0.00 N ATOM 367 CA GLY A 25 -4.675 6.279 8.819 1.00 0.00 C ATOM 368 C GLY A 25 -3.603 6.672 7.810 1.00 0.00 C ATOM 369 O GLY A 25 -3.891 7.339 6.818 1.00 0.00 O ATOM 0 H GLY A 25 -3.909 5.105 10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.169 5.365 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.438 7.056 8.863 1.00 0.00 H new ATOM 373 N CYS A 26 -2.361 6.257 8.064 1.00 0.00 N ATOM 374 CA CYS A 26 -1.260 6.579 7.152 1.00 0.00 C ATOM 375 C CYS A 26 -0.140 5.545 7.250 1.00 0.00 C ATOM 376 O CYS A 26 0.283 5.174 8.343 1.00 0.00 O ATOM 377 CB CYS A 26 -0.689 7.966 7.474 1.00 0.00 C ATOM 378 SG CYS A 26 -2.028 9.182 7.509 1.00 0.00 S ATOM 0 H CYS A 26 -2.094 5.706 8.880 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.661 6.571 6.138 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.178 7.945 8.437 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.052 8.248 6.726 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.109 8.651 7.021 1.00 0.00 H new ATOM 384 N ILE A 27 0.354 5.105 6.095 1.00 0.00 N ATOM 385 CA ILE A 27 1.452 4.139 6.049 1.00 0.00 C ATOM 386 C ILE A 27 2.711 4.908 5.722 1.00 0.00 C ATOM 387 O ILE A 27 2.822 5.476 4.634 1.00 0.00 O ATOM 388 CB ILE A 27 1.218 3.082 4.941 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.266 2.704 4.882 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.044 1.813 5.227 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.665 1.926 6.138 1.00 0.00 C ATOM 0 H ILE A 27 0.013 5.400 5.180 1.00 0.00 H new ATOM 0 HA ILE A 27 1.525 3.622 7.006 1.00 0.00 H new ATOM 0 HB ILE A 27 1.529 3.511 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.875 3.604 4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.460 2.101 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.869 1.080 4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.103 2.067 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.745 1.393 6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.722 1.664 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.068 1.016 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.490 2.543 7.019 1.00 0.00 H new ATOM 403 N THR A 28 3.660 4.938 6.642 1.00 0.00 N ATOM 404 CA THR A 28 4.898 5.651 6.381 1.00 0.00 C ATOM 405 C THR A 28 5.864 4.686 5.697 1.00 0.00 C ATOM 406 O THR A 28 5.640 3.475 5.704 1.00 0.00 O ATOM 407 CB THR A 28 5.481 6.203 7.694 1.00 0.00 C ATOM 408 OG1 THR A 28 5.835 5.128 8.547 1.00 0.00 O ATOM 409 CG2 THR A 28 4.436 7.084 8.398 1.00 0.00 C ATOM 0 H THR A 28 3.601 4.488 7.556 1.00 0.00 H new ATOM 0 HA THR A 28 4.720 6.505 5.727 1.00 0.00 H new ATOM 0 HB THR A 28 6.366 6.798 7.468 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.208 5.482 9.382 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.854 7.472 9.327 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.163 7.915 7.748 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.549 6.490 8.619 1.00 0.00 H new ATOM 417 N THR A 29 6.912 5.210 5.088 1.00 0.00 N ATOM 418 CA THR A 29 7.869 4.359 4.382 1.00 0.00 C ATOM 419 C THR A 29 8.525 3.375 5.360 1.00 0.00 C ATOM 420 O THR A 29 9.008 2.315 4.968 1.00 0.00 O ATOM 421 CB THR A 29 8.946 5.226 3.711 1.00 0.00 C ATOM 422 OG1 THR A 29 10.081 5.310 4.559 1.00 0.00 O ATOM 423 CG2 THR A 29 8.384 6.632 3.464 1.00 0.00 C ATOM 0 H THR A 29 7.126 6.207 5.064 1.00 0.00 H new ATOM 0 HA THR A 29 7.338 3.793 3.616 1.00 0.00 H new ATOM 0 HB THR A 29 9.237 4.778 2.761 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.769 5.861 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.146 7.250 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.512 6.566 2.814 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.095 7.080 4.414 1.00 0.00 H new ATOM 431 N LYS A 30 8.539 3.757 6.631 1.00 0.00 N ATOM 432 CA LYS A 30 9.136 2.914 7.672 1.00 0.00 C ATOM 433 C LYS A 30 8.291 1.668 7.895 1.00 0.00 C ATOM 434 O LYS A 30 8.794 0.543 7.887 1.00 0.00 O ATOM 435 CB LYS A 30 9.233 3.696 8.983 1.00 0.00 C ATOM 436 CG LYS A 30 9.993 2.875 10.030 1.00 0.00 C ATOM 437 CD LYS A 30 9.969 3.615 11.375 1.00 0.00 C ATOM 438 CE LYS A 30 10.888 4.843 11.320 1.00 0.00 C ATOM 439 NZ LYS A 30 11.152 5.332 12.701 1.00 0.00 N ATOM 0 H LYS A 30 8.149 4.637 6.969 1.00 0.00 H new ATOM 0 HA LYS A 30 10.133 2.617 7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.743 4.644 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.234 3.932 9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.538 1.890 10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.022 2.717 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.951 3.924 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.291 2.946 12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.826 4.586 10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.424 5.631 10.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.775 6.164 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.253 5.593 13.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.613 4.581 13.253 1.00 0.00 H new ATOM 453 N GLU A 31 6.991 1.885 8.057 1.00 0.00 N ATOM 454 CA GLU A 31 6.054 0.795 8.251 1.00 0.00 C ATOM 455 C GLU A 31 6.029 -0.064 7.003 1.00 0.00 C ATOM 456 O GLU A 31 6.061 -1.292 7.068 1.00 0.00 O ATOM 457 CB GLU A 31 4.665 1.385 8.503 1.00 0.00 C ATOM 458 CG GLU A 31 4.644 2.082 9.864 1.00 0.00 C ATOM 459 CD GLU A 31 3.314 2.793 10.064 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.531 2.828 9.128 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.098 3.300 11.150 1.00 0.00 O ATOM 0 H GLU A 31 6.565 2.812 8.057 1.00 0.00 H new ATOM 0 HA GLU A 31 6.353 0.183 9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.412 2.095 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.913 0.596 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.798 1.352 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.462 2.799 9.927 1.00 0.00 H new ATOM 468 N LEU A 32 6.002 0.610 5.859 1.00 0.00 N ATOM 469 CA LEU A 32 6.009 -0.080 4.588 1.00 0.00 C ATOM 470 C LEU A 32 7.304 -0.862 4.501 1.00 0.00 C ATOM 471 O LEU A 32 7.326 -2.027 4.108 1.00 0.00 O ATOM 472 CB LEU A 32 5.894 0.943 3.442 1.00 0.00 C ATOM 473 CG LEU A 32 5.908 0.233 2.075 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.741 -0.762 1.996 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.766 1.268 0.940 1.00 0.00 C ATOM 0 H LEU A 32 5.975 1.627 5.792 1.00 0.00 H new ATOM 0 HA LEU A 32 5.163 -0.762 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.973 1.516 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.719 1.653 3.497 1.00 0.00 H new ATOM 0 HG LEU A 32 6.853 -0.298 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.754 -1.262 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.841 -1.503 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.799 -0.228 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.777 0.756 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.825 1.806 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.595 1.974 0.985 1.00 0.00 H new ATOM 487 N GLY A 33 8.391 -0.221 4.916 1.00 0.00 N ATOM 488 CA GLY A 33 9.680 -0.884 4.918 1.00 0.00 C ATOM 489 C GLY A 33 9.666 -2.075 5.871 1.00 0.00 C ATOM 490 O GLY A 33 10.138 -3.156 5.527 1.00 0.00 O ATOM 0 H GLY A 33 8.402 0.743 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.925 -1.220 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.457 -0.181 5.217 1.00 0.00 H new ATOM 494 N THR A 34 9.102 -1.882 7.073 1.00 0.00 N ATOM 495 CA THR A 34 9.021 -2.975 8.045 1.00 0.00 C ATOM 496 C THR A 34 8.408 -4.177 7.352 1.00 0.00 C ATOM 497 O THR A 34 8.868 -5.311 7.476 1.00 0.00 O ATOM 498 CB THR A 34 8.121 -2.555 9.219 1.00 0.00 C ATOM 499 OG1 THR A 34 8.539 -1.287 9.702 1.00 0.00 O ATOM 500 CG2 THR A 34 8.202 -3.581 10.353 1.00 0.00 C ATOM 0 H THR A 34 8.704 -0.997 7.388 1.00 0.00 H new ATOM 0 HA THR A 34 10.014 -3.216 8.424 1.00 0.00 H new ATOM 0 HB THR A 34 7.090 -2.500 8.868 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.240 -0.587 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.559 -3.267 11.175 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.874 -4.554 9.987 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.231 -3.654 10.705 1.00 0.00 H new ATOM 508 N VAL A 35 7.338 -3.886 6.647 1.00 0.00 N ATOM 509 CA VAL A 35 6.591 -4.892 5.921 1.00 0.00 C ATOM 510 C VAL A 35 7.411 -5.474 4.770 1.00 0.00 C ATOM 511 O VAL A 35 7.554 -6.689 4.660 1.00 0.00 O ATOM 512 CB VAL A 35 5.311 -4.231 5.412 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.562 -5.158 4.460 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.429 -3.885 6.618 1.00 0.00 C ATOM 0 H VAL A 35 6.959 -2.943 6.560 1.00 0.00 H new ATOM 0 HA VAL A 35 6.350 -5.729 6.577 1.00 0.00 H new ATOM 0 HB VAL A 35 5.565 -3.325 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.654 -4.665 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.198 -5.394 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.298 -6.078 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.510 -3.412 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.185 -4.796 7.164 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.964 -3.201 7.276 1.00 0.00 H new ATOM 524 N MET A 36 7.963 -4.610 3.924 1.00 0.00 N ATOM 525 CA MET A 36 8.763 -5.084 2.799 1.00 0.00 C ATOM 526 C MET A 36 9.955 -5.886 3.330 1.00 0.00 C ATOM 527 O MET A 36 10.294 -6.953 2.810 1.00 0.00 O ATOM 528 CB MET A 36 9.253 -3.879 1.992 1.00 0.00 C ATOM 529 CG MET A 36 8.114 -3.352 1.110 1.00 0.00 C ATOM 530 SD MET A 36 7.776 -4.530 -0.221 1.00 0.00 S ATOM 531 CE MET A 36 6.365 -3.657 -0.946 1.00 0.00 C ATOM 0 H MET A 36 7.874 -3.596 3.992 1.00 0.00 H new ATOM 0 HA MET A 36 8.162 -5.726 2.155 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.598 -3.094 2.665 1.00 0.00 H new ATOM 0 HB3 MET A 36 10.103 -4.165 1.373 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.217 -3.200 1.710 1.00 0.00 H new ATOM 0 HG3 MET A 36 8.385 -2.383 0.691 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.990 -4.219 -1.801 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.575 -3.560 -0.201 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.679 -2.666 -1.273 1.00 0.00 H new ATOM 541 N ARG A 37 10.563 -5.357 4.386 1.00 0.00 N ATOM 542 CA ARG A 37 11.706 -6.005 5.036 1.00 0.00 C ATOM 543 C ARG A 37 11.359 -7.424 5.432 1.00 0.00 C ATOM 544 O ARG A 37 12.131 -8.361 5.228 1.00 0.00 O ATOM 545 CB ARG A 37 12.028 -5.225 6.315 1.00 0.00 C ATOM 546 CG ARG A 37 13.267 -5.797 7.014 1.00 0.00 C ATOM 547 CD ARG A 37 13.535 -4.992 8.294 1.00 0.00 C ATOM 548 NE ARG A 37 13.890 -3.615 7.959 1.00 0.00 N ATOM 549 CZ ARG A 37 15.136 -3.286 7.622 1.00 0.00 C ATOM 550 NH1 ARG A 37 16.063 -4.201 7.566 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.429 -2.045 7.342 1.00 0.00 N ATOM 0 H ARG A 37 10.284 -4.475 4.816 1.00 0.00 H new ATOM 0 HA ARG A 37 12.550 -6.019 4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.196 -4.176 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.175 -5.263 6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.111 -6.848 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.130 -5.747 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.650 -5.003 8.931 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.342 -5.455 8.862 1.00 0.00 H new ATOM 0 HE ARG A 37 13.171 -2.892 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.835 -5.172 7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.016 -3.946 7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.704 -1.328 7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.383 -1.792 7.084 1.00 0.00 H new ATOM 565 N SER A 38 10.196 -7.549 6.038 1.00 0.00 N ATOM 566 CA SER A 38 9.716 -8.835 6.523 1.00 0.00 C ATOM 567 C SER A 38 9.198 -9.711 5.387 1.00 0.00 C ATOM 568 O SER A 38 9.023 -10.920 5.554 1.00 0.00 O ATOM 569 CB SER A 38 8.584 -8.608 7.526 1.00 0.00 C ATOM 570 OG SER A 38 9.108 -7.990 8.691 1.00 0.00 O ATOM 0 H SER A 38 9.558 -6.771 6.209 1.00 0.00 H new ATOM 0 HA SER A 38 10.555 -9.347 6.995 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.811 -7.980 7.083 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.115 -9.557 7.784 1.00 0.00 H new ATOM 0 HG SER A 38 9.161 -7.021 8.552 1.00 0.00 H new ATOM 576 N LEU A 39 8.926 -9.099 4.241 1.00 0.00 N ATOM 577 CA LEU A 39 8.395 -9.831 3.092 1.00 0.00 C ATOM 578 C LEU A 39 9.512 -10.302 2.151 1.00 0.00 C ATOM 579 O LEU A 39 9.349 -10.301 0.934 1.00 0.00 O ATOM 580 CB LEU A 39 7.395 -8.942 2.326 1.00 0.00 C ATOM 581 CG LEU A 39 6.049 -8.842 3.090 1.00 0.00 C ATOM 582 CD1 LEU A 39 5.127 -7.835 2.383 1.00 0.00 C ATOM 583 CD2 LEU A 39 5.348 -10.215 3.150 1.00 0.00 C ATOM 0 H LEU A 39 9.063 -8.101 4.080 1.00 0.00 H new ATOM 0 HA LEU A 39 7.885 -10.719 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.816 -7.946 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.224 -9.353 1.331 1.00 0.00 H new ATOM 0 HG LEU A 39 6.256 -8.509 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.182 -7.767 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.605 -6.856 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.939 -8.168 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.406 -10.119 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.151 -10.568 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.991 -10.929 3.664 1.00 0.00 H new ATOM 595 N GLY A 40 10.639 -10.731 2.720 1.00 0.00 N ATOM 596 CA GLY A 40 11.750 -11.232 1.909 1.00 0.00 C ATOM 597 C GLY A 40 12.230 -10.184 0.916 1.00 0.00 C ATOM 598 O GLY A 40 13.139 -10.433 0.125 1.00 0.00 O ATOM 0 H GLY A 40 10.806 -10.742 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.575 -11.524 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.436 -12.127 1.372 1.00 0.00 H new ATOM 602 N GLN A 41 11.621 -9.005 0.969 1.00 0.00 N ATOM 603 CA GLN A 41 11.993 -7.905 0.081 1.00 0.00 C ATOM 604 C GLN A 41 12.943 -6.962 0.814 1.00 0.00 C ATOM 605 O GLN A 41 12.877 -6.839 2.037 1.00 0.00 O ATOM 606 CB GLN A 41 10.735 -7.149 -0.358 1.00 0.00 C ATOM 607 CG GLN A 41 9.942 -7.988 -1.363 1.00 0.00 C ATOM 608 CD GLN A 41 8.621 -7.296 -1.679 1.00 0.00 C ATOM 609 OE1 GLN A 41 7.767 -7.162 -0.804 1.00 0.00 O ATOM 610 NE2 GLN A 41 8.407 -6.835 -2.879 1.00 0.00 N ATOM 0 H GLN A 41 10.866 -8.784 1.618 1.00 0.00 H new ATOM 0 HA GLN A 41 12.493 -8.301 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.115 -6.924 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.012 -6.195 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.521 -8.122 -2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.755 -8.981 -0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.117 -6.947 -3.603 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.530 -6.362 -3.095 1.00 0.00 H new ATOM 619 N ASN A 42 13.831 -6.300 0.070 1.00 0.00 N ATOM 620 CA ASN A 42 14.798 -5.378 0.679 1.00 0.00 C ATOM 621 C ASN A 42 14.919 -4.087 -0.128 1.00 0.00 C ATOM 622 O ASN A 42 15.961 -3.828 -0.733 1.00 0.00 O ATOM 623 CB ASN A 42 16.175 -6.044 0.756 1.00 0.00 C ATOM 624 CG ASN A 42 16.123 -7.236 1.703 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.366 -7.090 2.901 1.00 0.00 O ATOM 626 ND2 ASN A 42 15.822 -8.417 1.236 1.00 0.00 N ATOM 0 H ASN A 42 13.903 -6.382 -0.944 1.00 0.00 H new ATOM 0 HA ASN A 42 14.440 -5.134 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.487 -6.370 -0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.917 -5.325 1.103 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.788 -9.220 1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.621 -8.537 0.243 1.00 0.00 H new ATOM 633 N PRO A 43 13.899 -3.268 -0.144 1.00 0.00 N ATOM 634 CA PRO A 43 13.928 -1.976 -0.885 1.00 0.00 C ATOM 635 C PRO A 43 14.760 -0.931 -0.161 1.00 0.00 C ATOM 636 O PRO A 43 14.863 -0.951 1.066 1.00 0.00 O ATOM 637 CB PRO A 43 12.457 -1.561 -0.925 1.00 0.00 C ATOM 638 CG PRO A 43 11.889 -2.125 0.331 1.00 0.00 C ATOM 639 CD PRO A 43 12.602 -3.465 0.542 1.00 0.00 C ATOM 0 HA PRO A 43 14.380 -2.072 -1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.349 -0.477 -0.960 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.953 -1.960 -1.805 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.058 -1.454 1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.811 -2.264 0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.736 -3.688 1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.040 -4.293 0.110 1.00 0.00 H new ATOM 647 N THR A 44 15.301 0.018 -0.912 1.00 0.00 N ATOM 648 CA THR A 44 16.065 1.097 -0.307 1.00 0.00 C ATOM 649 C THR A 44 15.122 2.254 -0.051 1.00 0.00 C ATOM 650 O THR A 44 13.949 2.200 -0.422 1.00 0.00 O ATOM 651 CB THR A 44 17.217 1.533 -1.216 1.00 0.00 C ATOM 652 OG1 THR A 44 17.669 2.818 -0.821 1.00 0.00 O ATOM 653 CG2 THR A 44 16.737 1.581 -2.664 1.00 0.00 C ATOM 0 H THR A 44 15.226 0.063 -1.928 1.00 0.00 H new ATOM 0 HA THR A 44 16.506 0.755 0.630 1.00 0.00 H new ATOM 0 HB THR A 44 18.036 0.819 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.408 3.098 -1.401 1.00 0.00 H new ATOM 0 HG21 THR A 44 17.559 1.892 -3.310 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.392 0.592 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.917 2.294 -2.752 1.00 0.00 H new ATOM 661 N GLU A 45 15.615 3.288 0.594 1.00 0.00 N ATOM 662 CA GLU A 45 14.774 4.436 0.909 1.00 0.00 C ATOM 663 C GLU A 45 14.211 5.090 -0.353 1.00 0.00 C ATOM 664 O GLU A 45 13.044 5.481 -0.377 1.00 0.00 O ATOM 665 CB GLU A 45 15.573 5.456 1.710 1.00 0.00 C ATOM 666 CG GLU A 45 15.892 4.871 3.085 1.00 0.00 C ATOM 667 CD GLU A 45 16.762 5.845 3.867 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.056 6.900 3.332 1.00 0.00 O ATOM 669 OE2 GLU A 45 17.121 5.522 4.987 1.00 0.00 O ATOM 0 H GLU A 45 16.582 3.364 0.910 1.00 0.00 H new ATOM 0 HA GLU A 45 13.931 4.080 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.495 5.708 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.004 6.380 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.969 4.674 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.407 3.917 2.974 1.00 0.00 H new ATOM 676 N ALA A 46 15.020 5.195 -1.403 1.00 0.00 N ATOM 677 CA ALA A 46 14.542 5.796 -2.645 1.00 0.00 C ATOM 678 C ALA A 46 13.389 4.979 -3.189 1.00 0.00 C ATOM 679 O ALA A 46 12.364 5.514 -3.610 1.00 0.00 O ATOM 680 CB ALA A 46 15.659 5.811 -3.688 1.00 0.00 C ATOM 0 H ALA A 46 15.990 4.879 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 46 14.220 6.817 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.290 6.261 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.501 6.392 -3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.984 4.790 -3.888 1.00 0.00 H new ATOM 686 N GLU A 47 13.592 3.674 -3.199 1.00 0.00 N ATOM 687 CA GLU A 47 12.604 2.751 -3.710 1.00 0.00 C ATOM 688 C GLU A 47 11.252 2.959 -3.024 1.00 0.00 C ATOM 689 O GLU A 47 10.233 3.119 -3.692 1.00 0.00 O ATOM 690 CB GLU A 47 13.114 1.325 -3.488 1.00 0.00 C ATOM 691 CG GLU A 47 12.180 0.328 -4.165 1.00 0.00 C ATOM 692 CD GLU A 47 12.292 0.450 -5.686 1.00 0.00 C ATOM 693 OE1 GLU A 47 13.183 1.150 -6.145 1.00 0.00 O ATOM 694 OE2 GLU A 47 11.488 -0.161 -6.365 1.00 0.00 O ATOM 0 H GLU A 47 14.443 3.229 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 47 12.454 2.928 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.122 1.223 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.174 1.113 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.432 -0.686 -3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.152 0.511 -3.853 1.00 0.00 H new ATOM 701 N LEU A 48 11.241 2.936 -1.694 1.00 0.00 N ATOM 702 CA LEU A 48 9.999 3.107 -0.936 1.00 0.00 C ATOM 703 C LEU A 48 9.382 4.473 -1.198 1.00 0.00 C ATOM 704 O LEU A 48 8.168 4.604 -1.368 1.00 0.00 O ATOM 705 CB LEU A 48 10.302 3.016 0.555 1.00 0.00 C ATOM 706 CG LEU A 48 10.912 1.661 0.878 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.282 1.627 2.364 1.00 0.00 C ATOM 708 CD2 LEU A 48 9.918 0.534 0.543 1.00 0.00 C ATOM 0 H LEU A 48 12.072 2.801 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 48 9.305 2.326 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.988 3.812 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.387 3.159 1.130 1.00 0.00 H new ATOM 0 HG LEU A 48 11.808 1.509 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.721 0.659 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.003 2.416 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.386 1.781 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.368 -0.430 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.009 0.664 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.672 0.569 -0.518 1.00 0.00 H new ATOM 720 N GLN A 49 10.235 5.483 -1.236 1.00 0.00 N ATOM 721 CA GLN A 49 9.784 6.848 -1.485 1.00 0.00 C ATOM 722 C GLN A 49 9.265 6.961 -2.907 1.00 0.00 C ATOM 723 O GLN A 49 8.252 7.608 -3.171 1.00 0.00 O ATOM 724 CB GLN A 49 10.950 7.815 -1.289 1.00 0.00 C ATOM 725 CG GLN A 49 10.484 9.255 -1.512 1.00 0.00 C ATOM 726 CD GLN A 49 11.625 10.212 -1.184 1.00 0.00 C ATOM 727 OE1 GLN A 49 12.765 9.976 -1.581 1.00 0.00 O ATOM 728 NE2 GLN A 49 11.387 11.281 -0.475 1.00 0.00 N ATOM 0 H GLN A 49 11.241 5.387 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 49 8.985 7.098 -0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.356 7.708 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.754 7.573 -1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.167 9.390 -2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.621 9.471 -0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.441 11.475 -0.147 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.147 11.923 -0.249 1.00 0.00 H new ATOM 737 N ASP A 50 9.979 6.316 -3.816 1.00 0.00 N ATOM 738 CA ASP A 50 9.618 6.321 -5.211 1.00 0.00 C ATOM 739 C ASP A 50 8.278 5.628 -5.411 1.00 0.00 C ATOM 740 O ASP A 50 7.437 6.102 -6.171 1.00 0.00 O ATOM 741 CB ASP A 50 10.725 5.606 -5.991 1.00 0.00 C ATOM 742 CG ASP A 50 11.903 6.557 -6.222 1.00 0.00 C ATOM 743 OD1 ASP A 50 11.782 7.719 -5.878 1.00 0.00 O ATOM 744 OD2 ASP A 50 12.913 6.102 -6.730 1.00 0.00 O ATOM 0 H ASP A 50 10.819 5.779 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 50 9.515 7.344 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.060 4.727 -5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.338 5.254 -6.947 1.00 0.00 H new ATOM 749 N MET A 51 8.085 4.515 -4.711 1.00 0.00 N ATOM 750 CA MET A 51 6.834 3.767 -4.804 1.00 0.00 C ATOM 751 C MET A 51 5.672 4.666 -4.390 1.00 0.00 C ATOM 752 O MET A 51 4.615 4.685 -5.018 1.00 0.00 O ATOM 753 CB MET A 51 6.902 2.550 -3.878 1.00 0.00 C ATOM 754 CG MET A 51 5.627 1.720 -4.024 1.00 0.00 C ATOM 755 SD MET A 51 5.748 0.239 -2.987 1.00 0.00 S ATOM 756 CE MET A 51 6.442 -0.872 -4.236 1.00 0.00 C ATOM 0 H MET A 51 8.774 4.112 -4.076 1.00 0.00 H new ATOM 0 HA MET A 51 6.681 3.433 -5.830 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.773 1.942 -4.123 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.020 2.874 -2.844 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.760 2.312 -3.732 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.482 1.436 -5.066 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.598 -1.858 -3.799 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.752 -0.952 -5.076 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.395 -0.475 -4.586 1.00 0.00 H new ATOM 766 N ILE A 52 5.911 5.427 -3.332 1.00 0.00 N ATOM 767 CA ILE A 52 4.939 6.376 -2.799 1.00 0.00 C ATOM 768 C ILE A 52 4.699 7.506 -3.806 1.00 0.00 C ATOM 769 O ILE A 52 3.573 7.974 -3.977 1.00 0.00 O ATOM 770 CB ILE A 52 5.458 6.913 -1.453 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.380 5.799 -0.410 1.00 0.00 C ATOM 772 CG2 ILE A 52 4.625 8.102 -0.972 1.00 0.00 C ATOM 773 CD1 ILE A 52 6.151 6.214 0.842 1.00 0.00 C ATOM 0 H ILE A 52 6.790 5.405 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 52 3.981 5.883 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 52 6.487 7.245 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.339 5.596 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.796 4.877 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.016 8.459 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.676 8.904 -1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.588 7.792 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.094 5.418 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.194 6.395 0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.715 7.125 1.252 1.00 0.00 H new ATOM 785 N ASN A 53 5.777 7.955 -4.439 1.00 0.00 N ATOM 786 CA ASN A 53 5.719 9.060 -5.403 1.00 0.00 C ATOM 787 C ASN A 53 4.800 8.750 -6.591 1.00 0.00 C ATOM 788 O ASN A 53 4.082 9.633 -7.068 1.00 0.00 O ATOM 789 CB ASN A 53 7.133 9.363 -5.903 1.00 0.00 C ATOM 790 CG ASN A 53 7.948 10.013 -4.784 1.00 0.00 C ATOM 791 OD1 ASN A 53 7.379 10.565 -3.843 1.00 0.00 O ATOM 792 ND2 ASN A 53 9.252 9.972 -4.828 1.00 0.00 N ATOM 0 H ASN A 53 6.712 7.570 -4.304 1.00 0.00 H new ATOM 0 HA ASN A 53 5.301 9.928 -4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.618 8.444 -6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.089 10.027 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.801 10.398 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.722 9.514 -5.609 1.00 0.00 H new ATOM 799 N GLU A 54 4.820 7.522 -7.084 1.00 0.00 N ATOM 800 CA GLU A 54 3.975 7.151 -8.229 1.00 0.00 C ATOM 801 C GLU A 54 2.499 7.229 -7.829 1.00 0.00 C ATOM 802 O GLU A 54 1.633 7.624 -8.614 1.00 0.00 O ATOM 803 CB GLU A 54 4.319 5.709 -8.685 1.00 0.00 C ATOM 804 CG GLU A 54 5.696 5.319 -8.137 1.00 0.00 C ATOM 805 CD GLU A 54 6.227 4.096 -8.874 1.00 0.00 C ATOM 806 OE1 GLU A 54 5.496 3.127 -8.972 1.00 0.00 O ATOM 807 OE2 GLU A 54 7.358 4.150 -9.329 1.00 0.00 O ATOM 0 H GLU A 54 5.402 6.767 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 54 4.160 7.842 -9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.562 5.012 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.318 5.650 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.390 6.152 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.625 5.107 -7.070 1.00 0.00 H new ATOM 814 N VAL A 55 2.251 6.845 -6.591 1.00 0.00 N ATOM 815 CA VAL A 55 0.915 6.848 -6.011 1.00 0.00 C ATOM 816 C VAL A 55 0.844 7.922 -4.955 1.00 0.00 C ATOM 817 O VAL A 55 0.682 7.626 -3.773 1.00 0.00 O ATOM 818 CB VAL A 55 0.668 5.499 -5.352 1.00 0.00 C ATOM 819 CG1 VAL A 55 -0.745 5.448 -4.745 1.00 0.00 C ATOM 820 CG2 VAL A 55 0.838 4.398 -6.394 1.00 0.00 C ATOM 0 H VAL A 55 2.976 6.519 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 55 0.170 7.034 -6.785 1.00 0.00 H new ATOM 0 HB VAL A 55 1.387 5.352 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.905 4.476 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.847 6.233 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.484 5.599 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.663 3.428 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.122 4.548 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.851 4.430 -6.796 1.00 0.00 H new ATOM 830 N ASP A 56 1.000 9.164 -5.365 1.00 0.00 N ATOM 831 CA ASP A 56 0.989 10.268 -4.425 1.00 0.00 C ATOM 832 C ASP A 56 -0.071 11.296 -4.824 1.00 0.00 C ATOM 833 O ASP A 56 0.168 12.500 -4.744 1.00 0.00 O ATOM 834 CB ASP A 56 2.409 10.883 -4.408 1.00 0.00 C ATOM 835 CG ASP A 56 3.043 10.826 -3.012 1.00 0.00 C ATOM 836 OD1 ASP A 56 2.306 10.828 -2.038 1.00 0.00 O ATOM 837 OD2 ASP A 56 4.260 10.789 -2.944 1.00 0.00 O ATOM 0 H ASP A 56 1.136 9.435 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 56 0.730 9.924 -3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.043 10.350 -5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.359 11.919 -4.742 1.00 0.00 H new ATOM 842 N ALA A 57 -1.243 10.803 -5.246 1.00 0.00 N ATOM 843 CA ALA A 57 -2.351 11.675 -5.655 1.00 0.00 C ATOM 844 C ALA A 57 -2.327 12.992 -4.884 1.00 0.00 C ATOM 845 O ALA A 57 -2.655 14.051 -5.421 1.00 0.00 O ATOM 846 CB ALA A 57 -3.687 10.982 -5.375 1.00 0.00 C ATOM 0 H ALA A 57 -1.448 9.806 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.238 11.877 -6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.506 11.633 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.737 10.049 -5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.770 10.770 -4.309 1.00 0.00 H new ATOM 852 N ASP A 58 -1.935 12.902 -3.613 1.00 0.00 N ATOM 853 CA ASP A 58 -1.863 14.072 -2.737 1.00 0.00 C ATOM 854 C ASP A 58 -0.434 14.606 -2.621 1.00 0.00 C ATOM 855 O ASP A 58 -0.227 15.812 -2.490 1.00 0.00 O ATOM 856 CB ASP A 58 -2.369 13.696 -1.346 1.00 0.00 C ATOM 857 CG ASP A 58 -1.511 12.579 -0.758 1.00 0.00 C ATOM 858 OD1 ASP A 58 -0.691 12.045 -1.484 1.00 0.00 O ATOM 859 OD2 ASP A 58 -1.696 12.267 0.406 1.00 0.00 O ATOM 0 H ASP A 58 -1.661 12.027 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.485 14.854 -3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.341 14.568 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.409 13.374 -1.404 1.00 0.00 H new ATOM 864 N GLY A 59 0.549 13.709 -2.665 1.00 0.00 N ATOM 865 CA GLY A 59 1.945 14.118 -2.556 1.00 0.00 C ATOM 866 C GLY A 59 2.345 14.342 -1.099 1.00 0.00 C ATOM 867 O GLY A 59 3.295 15.072 -0.813 1.00 0.00 O ATOM 0 H GLY A 59 0.406 12.705 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.585 13.355 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.103 15.035 -3.124 1.00 0.00 H new ATOM 871 N ASN A 60 1.612 13.715 -0.182 1.00 0.00 N ATOM 872 CA ASN A 60 1.894 13.856 1.242 1.00 0.00 C ATOM 873 C ASN A 60 3.113 13.034 1.655 1.00 0.00 C ATOM 874 O ASN A 60 3.761 13.338 2.657 1.00 0.00 O ATOM 875 CB ASN A 60 0.679 13.417 2.060 1.00 0.00 C ATOM 876 CG ASN A 60 0.466 11.914 1.913 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.930 11.312 0.946 1.00 0.00 O ATOM 878 ND2 ASN A 60 -0.208 11.270 2.826 1.00 0.00 N ATOM 0 H ASN A 60 0.822 13.107 -0.399 1.00 0.00 H new ATOM 0 HA ASN A 60 2.110 14.906 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.826 13.671 3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.209 13.953 1.724 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.352 10.264 2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.591 11.773 3.627 1.00 0.00 H new ATOM 885 N GLY A 61 3.431 11.992 0.888 1.00 0.00 N ATOM 886 CA GLY A 61 4.587 11.147 1.200 1.00 0.00 C ATOM 887 C GLY A 61 4.185 9.935 2.031 1.00 0.00 C ATOM 888 O GLY A 61 5.037 9.155 2.454 1.00 0.00 O ATOM 0 H GLY A 61 2.912 11.713 0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.057 10.815 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.330 11.731 1.743 1.00 0.00 H new ATOM 892 N THR A 62 2.882 9.759 2.242 1.00 0.00 N ATOM 893 CA THR A 62 2.383 8.612 2.995 1.00 0.00 C ATOM 894 C THR A 62 1.147 8.067 2.309 1.00 0.00 C ATOM 895 O THR A 62 0.565 8.727 1.454 1.00 0.00 O ATOM 896 CB THR A 62 2.097 8.996 4.449 1.00 0.00 C ATOM 897 OG1 THR A 62 1.038 9.941 4.508 1.00 0.00 O ATOM 898 CG2 THR A 62 3.368 9.600 5.048 1.00 0.00 C ATOM 0 H THR A 62 2.157 10.392 1.904 1.00 0.00 H new ATOM 0 HA THR A 62 3.144 7.832 3.017 1.00 0.00 H new ATOM 0 HB THR A 62 1.800 8.112 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.863 10.178 5.443 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.184 9.880 6.085 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.173 8.867 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.654 10.484 4.478 1.00 0.00 H new ATOM 906 N ILE A 63 0.774 6.842 2.642 1.00 0.00 N ATOM 907 CA ILE A 63 -0.367 6.205 1.989 1.00 0.00 C ATOM 908 C ILE A 63 -1.628 6.301 2.828 1.00 0.00 C ATOM 909 O ILE A 63 -1.681 5.783 3.941 1.00 0.00 O ATOM 910 CB ILE A 63 -0.045 4.728 1.751 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.400 4.602 1.259 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.993 4.146 0.696 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.733 3.135 1.013 1.00 0.00 C ATOM 0 H ILE A 63 1.235 6.272 3.351 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.546 6.724 1.048 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.170 4.178 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.533 5.174 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.084 5.021 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.756 3.095 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.022 4.236 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.876 4.693 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.762 3.049 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.617 2.575 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.058 2.730 0.259 1.00 0.00 H new ATOM 925 N ASP A 64 -2.657 6.913 2.263 1.00 0.00 N ATOM 926 CA ASP A 64 -3.947 7.009 2.926 1.00 0.00 C ATOM 927 C ASP A 64 -4.717 5.782 2.479 1.00 0.00 C ATOM 928 O ASP A 64 -4.105 4.848 1.962 1.00 0.00 O ATOM 929 CB ASP A 64 -4.667 8.295 2.512 1.00 0.00 C ATOM 930 CG ASP A 64 -3.976 9.517 3.117 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.175 9.337 4.020 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.258 10.616 2.667 1.00 0.00 O ATOM 0 H ASP A 64 -2.623 7.352 1.343 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.851 7.047 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.679 8.378 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.706 8.258 2.840 1.00 0.00 H new ATOM 937 N PHE A 65 -6.031 5.735 2.623 1.00 0.00 N ATOM 938 CA PHE A 65 -6.738 4.543 2.158 1.00 0.00 C ATOM 939 C PHE A 65 -6.891 4.523 0.623 1.00 0.00 C ATOM 940 O PHE A 65 -6.495 3.549 -0.014 1.00 0.00 O ATOM 941 CB PHE A 65 -8.091 4.390 2.835 1.00 0.00 C ATOM 942 CG PHE A 65 -8.781 3.191 2.239 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.220 1.919 2.400 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.967 3.350 1.522 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.855 0.807 1.860 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.602 2.236 0.976 1.00 0.00 C ATOM 947 CZ PHE A 65 -10.051 0.961 1.152 1.00 0.00 C ATOM 0 H PHE A 65 -6.610 6.466 3.036 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.123 3.689 2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.966 4.261 3.910 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.693 5.287 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.294 1.802 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.392 4.334 1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.425 -0.176 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.519 2.356 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.550 0.096 0.741 1.00 0.00 H new ATOM 957 N PRO A 66 -7.454 5.536 -0.006 1.00 0.00 N ATOM 958 CA PRO A 66 -7.616 5.535 -1.500 1.00 0.00 C ATOM 959 C PRO A 66 -6.269 5.483 -2.228 1.00 0.00 C ATOM 960 O PRO A 66 -6.171 4.971 -3.349 1.00 0.00 O ATOM 961 CB PRO A 66 -8.350 6.858 -1.775 1.00 0.00 C ATOM 962 CG PRO A 66 -7.989 7.719 -0.614 1.00 0.00 C ATOM 963 CD PRO A 66 -7.994 6.778 0.580 1.00 0.00 C ATOM 0 HA PRO A 66 -8.156 4.659 -1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.030 7.304 -2.717 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.428 6.710 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.011 8.179 -0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.707 8.529 -0.483 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.372 7.149 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.997 6.636 0.984 1.00 0.00 H new ATOM 971 N GLU A 67 -5.228 5.982 -1.572 1.00 0.00 N ATOM 972 CA GLU A 67 -3.893 5.955 -2.151 1.00 0.00 C ATOM 973 C GLU A 67 -3.410 4.519 -2.156 1.00 0.00 C ATOM 974 O GLU A 67 -2.640 4.085 -3.021 1.00 0.00 O ATOM 975 CB GLU A 67 -2.944 6.815 -1.311 1.00 0.00 C ATOM 976 CG GLU A 67 -3.362 8.279 -1.411 1.00 0.00 C ATOM 977 CD GLU A 67 -2.569 9.115 -0.416 1.00 0.00 C ATOM 978 OE1 GLU A 67 -1.790 8.538 0.325 1.00 0.00 O ATOM 979 OE2 GLU A 67 -2.750 10.317 -0.409 1.00 0.00 O ATOM 0 H GLU A 67 -5.283 6.407 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.916 6.351 -3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.966 6.490 -0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.919 6.693 -1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.193 8.646 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.429 8.376 -1.211 1.00 0.00 H new ATOM 986 N PHE A 68 -3.894 3.787 -1.167 1.00 0.00 N ATOM 987 CA PHE A 68 -3.545 2.393 -1.017 1.00 0.00 C ATOM 988 C PHE A 68 -4.306 1.541 -2.042 1.00 0.00 C ATOM 989 O PHE A 68 -3.758 0.578 -2.573 1.00 0.00 O ATOM 990 CB PHE A 68 -3.810 1.961 0.432 1.00 0.00 C ATOM 991 CG PHE A 68 -4.068 0.477 0.540 1.00 0.00 C ATOM 992 CD1 PHE A 68 -3.029 -0.440 0.321 1.00 0.00 C ATOM 993 CD2 PHE A 68 -5.335 0.024 0.911 1.00 0.00 C ATOM 994 CE1 PHE A 68 -3.268 -1.811 0.482 1.00 0.00 C ATOM 995 CE2 PHE A 68 -5.576 -1.334 1.060 1.00 0.00 C ATOM 996 CZ PHE A 68 -4.545 -2.257 0.852 1.00 0.00 C ATOM 0 H PHE A 68 -4.533 4.141 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.484 2.243 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.954 2.226 1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.668 2.508 0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.049 -0.091 0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.131 0.734 1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.471 -2.522 0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.561 -1.679 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.733 -3.313 0.976 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.556 1.909 -2.347 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.337 1.166 -3.339 1.00 0.00 C ATOM 1008 C LEU A 69 -5.733 1.341 -4.733 1.00 0.00 C ATOM 1009 O LEU A 69 -5.803 0.439 -5.568 1.00 0.00 O ATOM 1010 CB LEU A 69 -7.799 1.651 -3.344 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.505 1.290 -2.016 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -9.950 1.829 -2.032 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -8.545 -0.233 -1.840 1.00 0.00 C ATOM 0 H LEU A 69 -6.041 2.703 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.313 0.110 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.828 2.730 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.334 1.199 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.951 1.739 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.444 1.573 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.933 2.913 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.495 1.383 -2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.044 -0.478 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.092 -0.681 -2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.528 -0.624 -1.823 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.115 2.496 -4.959 1.00 0.00 N ATOM 1026 CA ASN A 70 -4.459 2.785 -6.238 1.00 0.00 C ATOM 1027 C ASN A 70 -3.243 1.885 -6.388 1.00 0.00 C ATOM 1028 O ASN A 70 -2.994 1.272 -7.427 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.015 4.249 -6.210 1.00 0.00 C ATOM 1030 CG ASN A 70 -3.268 4.631 -7.480 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -2.125 5.082 -7.419 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -3.855 4.496 -8.631 1.00 0.00 N ATOM 0 H ASN A 70 -5.052 3.250 -4.275 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.137 2.608 -7.073 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.887 4.892 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.374 4.419 -5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.368 4.764 -9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.803 4.122 -8.679 1.00 0.00 H new ATOM 1039 N LEU A 71 -2.518 1.827 -5.287 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.316 1.028 -5.143 1.00 0.00 C ATOM 1041 C LEU A 71 -1.639 -0.461 -5.277 1.00 0.00 C ATOM 1042 O LEU A 71 -0.949 -1.204 -5.977 1.00 0.00 O ATOM 1043 CB LEU A 71 -0.794 1.389 -3.747 1.00 0.00 C ATOM 1044 CG LEU A 71 0.237 0.417 -3.193 1.00 0.00 C ATOM 1045 CD1 LEU A 71 1.423 0.311 -4.138 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.712 0.970 -1.841 1.00 0.00 C ATOM 0 H LEU A 71 -2.756 2.350 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.571 1.227 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.354 2.386 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.637 1.438 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.202 -0.574 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.153 -0.388 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.083 -0.047 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.885 1.292 -4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.454 0.296 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.156 1.955 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.137 1.052 -1.163 1.00 0.00 H new ATOM 1058 N MET A 72 -2.717 -0.864 -4.622 1.00 0.00 N ATOM 1059 CA MET A 72 -3.193 -2.245 -4.651 1.00 0.00 C ATOM 1060 C MET A 72 -3.921 -2.538 -5.970 1.00 0.00 C ATOM 1061 O MET A 72 -3.879 -3.658 -6.477 1.00 0.00 O ATOM 1062 CB MET A 72 -4.145 -2.455 -3.455 1.00 0.00 C ATOM 1063 CG MET A 72 -4.049 -3.880 -2.911 1.00 0.00 C ATOM 1064 SD MET A 72 -2.429 -4.131 -2.146 1.00 0.00 S ATOM 1065 CE MET A 72 -2.817 -5.711 -1.358 1.00 0.00 C ATOM 0 H MET A 72 -3.291 -0.243 -4.052 1.00 0.00 H new ATOM 0 HA MET A 72 -2.347 -2.928 -4.580 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.901 -1.745 -2.665 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.170 -2.250 -3.763 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.838 -4.055 -2.180 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.197 -4.598 -3.717 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.944 -6.070 -0.813 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.648 -5.578 -0.665 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.094 -6.439 -2.120 1.00 0.00 H new ATOM 1075 N ALA A 73 -4.586 -1.520 -6.515 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.319 -1.680 -7.768 1.00 0.00 C ATOM 1077 C ALA A 73 -4.348 -1.916 -8.911 1.00 0.00 C ATOM 1078 O ALA A 73 -4.628 -2.683 -9.835 1.00 0.00 O ATOM 1079 CB ALA A 73 -6.162 -0.438 -8.062 1.00 0.00 C ATOM 0 H ALA A 73 -4.632 -0.584 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.982 -2.540 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.700 -0.577 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.876 -0.283 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.511 0.433 -8.143 1.00 0.00 H new