USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 1 MET CE :methyl 170:sc= 0 (180deg=-0.0644) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.024 (180deg=-0.81) USER MOD Single : A 2 THR OG1 : rot 180:sc= -1.84! USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0713) USER MOD Single : A 5 GLN : amide:sc= -3.23! K(o=-3.2!,f=-0.97) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.67! C(o=-1.7!,f=-1.5!) USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= -0.13 (180deg=-0.918) USER MOD Single : A 15 MET CE :methyl -132:sc= -0.258 (180deg=-1.39!) USER MOD Single : A 16 HIS : no HD1:sc= -6.9! C(o=-6.9!,f=-4.1!) USER MOD Single : A 21 MET CE :methyl -134:sc= -0.0109 (180deg=-0.0962) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -1.41 (180deg=-1.63) USER MOD Single : A 27 MET CE :methyl -128:sc= -1.02 (180deg=-3.59!) USER MOD Single : A 28 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.19) USER MOD Single : A 38 ASN : amide:sc= -6.3! C(o=-6.3!,f=-14!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.03! C(o=-2!,f=-2.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.701 USER MOD Single : A 54 MET CE :methyl 152:sc=-0.00507 (180deg=-1.67) USER MOD Single : A 57 SER OG : rot -23:sc= 0.907 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 68 THR OG1 : rot 160:sc= -2.09! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 84 ASN : amide:sc= -0.0102 K(o=-0.01,f=-1.2) USER MOD Single : A 85 SER OG : rot 28:sc= -1.73! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 47.941 -15.730 14.847 1.00 0.00 N ATOM 2 CA MET A 1 48.291 -14.323 15.194 1.00 0.00 C ATOM 3 C MET A 1 49.750 -14.258 15.634 1.00 0.00 C ATOM 4 O MET A 1 50.322 -15.257 16.069 1.00 0.00 O ATOM 5 CB MET A 1 47.381 -13.839 16.325 1.00 0.00 C ATOM 6 CG MET A 1 47.605 -14.703 17.566 1.00 0.00 C ATOM 7 SD MET A 1 46.428 -14.225 18.855 1.00 0.00 S ATOM 8 CE MET A 1 45.036 -15.224 18.273 1.00 0.00 C ATOM 0 H1 MET A 1 46.991 -15.951 15.209 1.00 0.00 H new ATOM 0 H2 MET A 1 47.953 -15.846 13.814 1.00 0.00 H new ATOM 0 H3 MET A 1 48.634 -16.376 15.276 1.00 0.00 H new ATOM 0 HA MET A 1 48.152 -13.682 14.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.592 -12.794 16.554 1.00 0.00 H new ATOM 0 HB3 MET A 1 46.337 -13.893 16.015 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.479 -15.756 17.316 1.00 0.00 H new ATOM 0 HG3 MET A 1 48.626 -14.581 17.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 44.247 -15.221 19.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 44.652 -14.806 17.342 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.369 -16.247 18.101 1.00 0.00 H new ATOM 20 N THR A 2 50.345 -13.076 15.519 1.00 0.00 N ATOM 21 CA THR A 2 51.738 -12.892 15.909 1.00 0.00 C ATOM 22 C THR A 2 52.654 -13.757 15.049 1.00 0.00 C ATOM 23 O THR A 2 52.524 -14.982 15.025 1.00 0.00 O ATOM 24 CB THR A 2 51.922 -13.259 17.383 1.00 0.00 C ATOM 25 OG1 THR A 2 50.649 -13.478 17.976 1.00 0.00 O ATOM 26 CG2 THR A 2 52.636 -12.119 18.110 1.00 0.00 C ATOM 0 H THR A 2 49.889 -12.237 15.162 1.00 0.00 H new ATOM 0 HA THR A 2 52.001 -11.845 15.761 1.00 0.00 H new ATOM 0 HB THR A 2 52.521 -14.166 17.460 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.764 -13.715 18.920 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.766 -12.382 19.160 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.612 -11.951 17.654 1.00 0.00 H new ATOM 0 HG23 THR A 2 52.040 -11.210 18.035 1.00 0.00 H new ATOM 34 N VAL A 3 53.579 -13.113 14.346 1.00 0.00 N ATOM 35 CA VAL A 3 54.512 -13.835 13.487 1.00 0.00 C ATOM 36 C VAL A 3 55.942 -13.375 13.745 1.00 0.00 C ATOM 37 O VAL A 3 56.265 -12.198 13.583 1.00 0.00 O ATOM 38 CB VAL A 3 54.156 -13.605 12.018 1.00 0.00 C ATOM 39 CG1 VAL A 3 55.167 -14.330 11.128 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.752 -14.148 11.742 1.00 0.00 C ATOM 0 H VAL A 3 53.703 -12.101 14.353 1.00 0.00 H new ATOM 0 HA VAL A 3 54.438 -14.898 13.715 1.00 0.00 H new ATOM 0 HB VAL A 3 54.182 -12.537 11.801 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.913 -14.166 10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 3 56.167 -13.943 11.324 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.142 -15.398 11.344 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.498 -13.984 10.695 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.726 -15.216 11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.031 -13.631 12.375 1.00 0.00 H new ATOM 50 N LYS A 4 56.797 -14.311 14.146 1.00 0.00 N ATOM 51 CA LYS A 4 58.192 -13.990 14.422 1.00 0.00 C ATOM 52 C LYS A 4 59.120 -14.899 13.623 1.00 0.00 C ATOM 53 O LYS A 4 58.685 -15.904 13.061 1.00 0.00 O ATOM 54 CB LYS A 4 58.479 -14.151 15.916 1.00 0.00 C ATOM 55 CG LYS A 4 57.493 -15.153 16.521 1.00 0.00 C ATOM 56 CD LYS A 4 58.067 -15.708 17.827 1.00 0.00 C ATOM 57 CE LYS A 4 57.193 -16.863 18.318 1.00 0.00 C ATOM 58 NZ LYS A 4 55.882 -16.330 18.785 1.00 0.00 N ATOM 0 H LYS A 4 56.550 -15.291 14.286 1.00 0.00 H new ATOM 0 HA LYS A 4 58.372 -12.956 14.127 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.502 -14.496 16.065 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.391 -13.188 16.420 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.535 -14.668 16.709 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.307 -15.966 15.819 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.089 -16.053 17.670 1.00 0.00 H new ATOM 0 HD3 LYS A 4 58.108 -14.922 18.582 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.039 -17.584 17.515 1.00 0.00 H new ATOM 0 HE3 LYS A 4 57.693 -17.392 19.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 55.334 -17.095 19.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 56.043 -15.573 19.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.353 -15.950 17.974 1.00 0.00 H new ATOM 72 N GLN A 5 60.397 -14.539 13.578 1.00 0.00 N ATOM 73 CA GLN A 5 61.378 -15.331 12.843 1.00 0.00 C ATOM 74 C GLN A 5 62.794 -14.869 13.173 1.00 0.00 C ATOM 75 O GLN A 5 63.072 -13.670 13.215 1.00 0.00 O ATOM 76 CB GLN A 5 61.133 -15.200 11.338 1.00 0.00 C ATOM 77 CG GLN A 5 62.420 -15.532 10.580 1.00 0.00 C ATOM 78 CD GLN A 5 62.110 -15.760 9.104 1.00 0.00 C ATOM 79 OE1 GLN A 5 62.935 -16.307 8.373 1.00 0.00 O ATOM 80 NE2 GLN A 5 60.961 -15.372 8.621 1.00 0.00 N ATOM 0 H GLN A 5 60.776 -13.711 14.037 1.00 0.00 H new ATOM 0 HA GLN A 5 61.271 -16.375 13.138 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.333 -15.873 11.029 1.00 0.00 H new ATOM 0 HB3 GLN A 5 60.808 -14.187 11.099 1.00 0.00 H new ATOM 0 HG2 GLN A 5 63.136 -14.718 10.688 1.00 0.00 H new ATOM 0 HG3 GLN A 5 62.883 -16.423 11.005 1.00 0.00 H new ATOM 0 HE21 GLN A 5 60.279 -14.919 9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 5 60.745 -15.522 7.635 1.00 0.00 H new ATOM 89 N THR A 6 63.684 -15.826 13.408 1.00 0.00 N ATOM 90 CA THR A 6 65.069 -15.505 13.734 1.00 0.00 C ATOM 91 C THR A 6 65.868 -15.225 12.465 1.00 0.00 C ATOM 92 O THR A 6 65.781 -15.967 11.488 1.00 0.00 O ATOM 93 CB THR A 6 65.709 -16.668 14.497 1.00 0.00 C ATOM 94 OG1 THR A 6 64.711 -17.626 14.820 1.00 0.00 O ATOM 95 CG2 THR A 6 66.352 -16.144 15.783 1.00 0.00 C ATOM 0 H THR A 6 63.474 -16.824 13.379 1.00 0.00 H new ATOM 0 HA THR A 6 65.078 -14.612 14.359 1.00 0.00 H new ATOM 0 HB THR A 6 66.473 -17.135 13.876 1.00 0.00 H new ATOM 0 HG1 THR A 6 65.119 -18.372 15.307 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.807 -16.972 16.326 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.117 -15.409 15.534 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.590 -15.677 16.407 1.00 0.00 H new ATOM 103 N VAL A 7 66.649 -14.149 12.490 1.00 0.00 N ATOM 104 CA VAL A 7 67.461 -13.780 11.337 1.00 0.00 C ATOM 105 C VAL A 7 68.863 -13.374 11.777 1.00 0.00 C ATOM 106 O VAL A 7 69.028 -12.511 12.640 1.00 0.00 O ATOM 107 CB VAL A 7 66.805 -12.622 10.585 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.743 -12.132 9.480 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.491 -13.099 9.961 1.00 0.00 C ATOM 0 H VAL A 7 66.736 -13.522 13.290 1.00 0.00 H new ATOM 0 HA VAL A 7 67.536 -14.645 10.678 1.00 0.00 H new ATOM 0 HB VAL A 7 66.605 -11.806 11.280 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.274 -11.306 8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.680 -11.793 9.922 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.944 -12.947 8.785 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.022 -12.274 9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.693 -13.915 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.821 -13.448 10.747 1.00 0.00 H new ATOM 119 N GLU A 8 69.871 -14.001 11.180 1.00 0.00 N ATOM 120 CA GLU A 8 71.256 -13.696 11.519 1.00 0.00 C ATOM 121 C GLU A 8 71.653 -12.327 10.979 1.00 0.00 C ATOM 122 O GLU A 8 71.428 -12.022 9.808 1.00 0.00 O ATOM 123 CB GLU A 8 72.185 -14.765 10.939 1.00 0.00 C ATOM 124 CG GLU A 8 72.012 -14.821 9.419 1.00 0.00 C ATOM 125 CD GLU A 8 72.676 -16.077 8.866 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.160 -16.867 9.660 1.00 0.00 O ATOM 127 OE2 GLU A 8 72.691 -16.231 7.656 1.00 0.00 O ATOM 0 H GLU A 8 69.756 -14.718 10.464 1.00 0.00 H new ATOM 0 HA GLU A 8 71.349 -13.685 12.605 1.00 0.00 H new ATOM 0 HB2 GLU A 8 73.221 -14.537 11.190 1.00 0.00 H new ATOM 0 HB3 GLU A 8 71.958 -15.737 11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 8 70.952 -14.818 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 8 72.452 -13.935 8.961 1.00 0.00 H new ATOM 134 N ILE A 9 72.245 -11.504 11.839 1.00 0.00 N ATOM 135 CA ILE A 9 72.670 -10.169 11.436 1.00 0.00 C ATOM 136 C ILE A 9 74.017 -10.228 10.724 1.00 0.00 C ATOM 137 O ILE A 9 75.034 -10.577 11.325 1.00 0.00 O ATOM 138 CB ILE A 9 72.778 -9.264 12.664 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.385 -8.758 13.048 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.681 -8.072 12.342 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.906 -7.742 12.009 1.00 0.00 C ATOM 0 H ILE A 9 72.440 -11.736 12.813 1.00 0.00 H new ATOM 0 HA ILE A 9 71.927 -9.762 10.749 1.00 0.00 H new ATOM 0 HB ILE A 9 73.203 -9.828 13.494 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.686 -9.593 13.105 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.413 -8.298 14.036 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.758 -7.427 13.217 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.673 -8.431 12.067 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.256 -7.508 11.512 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.914 -7.382 12.283 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.600 -6.902 11.974 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.862 -8.217 11.029 1.00 0.00 H new ATOM 153 N THR A 10 74.017 -9.884 9.440 1.00 0.00 N ATOM 154 CA THR A 10 75.246 -9.900 8.655 1.00 0.00 C ATOM 155 C THR A 10 75.491 -8.537 8.016 1.00 0.00 C ATOM 156 O THR A 10 74.899 -8.207 6.988 1.00 0.00 O ATOM 157 CB THR A 10 75.155 -10.970 7.564 1.00 0.00 C ATOM 158 OG1 THR A 10 76.427 -11.126 6.949 1.00 0.00 O ATOM 159 CG2 THR A 10 74.127 -10.545 6.515 1.00 0.00 C ATOM 0 H THR A 10 73.187 -9.593 8.924 1.00 0.00 H new ATOM 0 HA THR A 10 76.078 -10.131 9.321 1.00 0.00 H new ATOM 0 HB THR A 10 74.847 -11.917 8.007 1.00 0.00 H new ATOM 0 HG1 THR A 10 76.371 -11.812 6.251 1.00 0.00 H new ATOM 0 HG21 THR A 10 74.063 -11.307 5.739 1.00 0.00 H new ATOM 0 HG22 THR A 10 73.152 -10.426 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 10 74.432 -9.598 6.069 1.00 0.00 H new ATOM 167 N ASN A 11 76.367 -7.750 8.630 1.00 0.00 N ATOM 168 CA ASN A 11 76.682 -6.424 8.111 1.00 0.00 C ATOM 169 C ASN A 11 75.666 -5.399 8.609 1.00 0.00 C ATOM 170 O ASN A 11 75.386 -4.410 7.933 1.00 0.00 O ATOM 171 CB ASN A 11 76.678 -6.446 6.582 1.00 0.00 C ATOM 172 CG ASN A 11 77.029 -5.065 6.039 1.00 0.00 C ATOM 173 OD1 ASN A 11 77.958 -4.422 6.529 1.00 0.00 O ATOM 174 ND2 ASN A 11 76.338 -4.568 5.050 1.00 0.00 N ATOM 0 H ASN A 11 76.868 -8.004 9.481 1.00 0.00 H new ATOM 0 HA ASN A 11 77.673 -6.141 8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 11 77.396 -7.182 6.219 1.00 0.00 H new ATOM 0 HB3 ASN A 11 75.697 -6.751 6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 11 76.567 -3.645 4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 11 75.569 -5.103 4.646 1.00 0.00 H new ATOM 181 N LYS A 12 75.118 -5.646 9.795 1.00 0.00 N ATOM 182 CA LYS A 12 74.135 -4.739 10.373 1.00 0.00 C ATOM 183 C LYS A 12 72.751 -5.007 9.788 1.00 0.00 C ATOM 184 O LYS A 12 72.506 -6.064 9.208 1.00 0.00 O ATOM 185 CB LYS A 12 74.536 -3.289 10.098 1.00 0.00 C ATOM 186 CG LYS A 12 75.897 -3.005 10.736 1.00 0.00 C ATOM 187 CD LYS A 12 76.185 -1.503 10.681 1.00 0.00 C ATOM 188 CE LYS A 12 77.600 -1.235 11.196 1.00 0.00 C ATOM 189 NZ LYS A 12 78.586 -1.940 10.329 1.00 0.00 N ATOM 0 H LYS A 12 75.336 -6.460 10.370 1.00 0.00 H new ATOM 0 HA LYS A 12 74.101 -4.907 11.449 1.00 0.00 H new ATOM 0 HB2 LYS A 12 74.582 -3.111 9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 12 73.785 -2.610 10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 12 75.904 -3.350 11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 12 76.678 -3.555 10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 12 76.084 -1.140 9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 12 75.458 -0.960 11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 12 77.801 -0.164 11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 12 77.695 -1.578 12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 79.509 -1.466 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 78.680 -2.927 10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 78.258 -1.919 9.342 1.00 0.00 H new ATOM 203 N LEU A 13 71.851 -4.041 9.944 1.00 0.00 N ATOM 204 CA LEU A 13 70.495 -4.183 9.427 1.00 0.00 C ATOM 205 C LEU A 13 70.500 -4.169 7.901 1.00 0.00 C ATOM 206 O LEU A 13 69.446 -4.224 7.268 1.00 0.00 O ATOM 207 CB LEU A 13 69.615 -3.046 9.947 1.00 0.00 C ATOM 208 CG LEU A 13 69.394 -3.217 11.450 1.00 0.00 C ATOM 209 CD1 LEU A 13 69.079 -1.859 12.079 1.00 0.00 C ATOM 210 CD2 LEU A 13 68.221 -4.171 11.686 1.00 0.00 C ATOM 0 H LEU A 13 72.034 -3.158 10.421 1.00 0.00 H new ATOM 0 HA LEU A 13 70.094 -5.137 9.769 1.00 0.00 H new ATOM 0 HB2 LEU A 13 70.088 -2.085 9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 13 68.658 -3.046 9.426 1.00 0.00 H new ATOM 0 HG LEU A 13 70.296 -3.627 11.905 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.922 -1.982 13.151 1.00 0.00 H new ATOM 0 HD12 LEU A 13 69.913 -1.178 11.911 1.00 0.00 H new ATOM 0 HD13 LEU A 13 68.177 -1.448 11.625 1.00 0.00 H new ATOM 0 HD21 LEU A 13 68.062 -4.294 12.757 1.00 0.00 H new ATOM 0 HD22 LEU A 13 67.320 -3.760 11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 13 68.444 -5.140 11.239 1.00 0.00 H new ATOM 222 N GLY A 14 71.692 -4.095 7.319 1.00 0.00 N ATOM 223 CA GLY A 14 71.822 -4.073 5.866 1.00 0.00 C ATOM 224 C GLY A 14 72.998 -3.202 5.438 1.00 0.00 C ATOM 225 O GLY A 14 74.107 -3.341 5.953 1.00 0.00 O ATOM 0 H GLY A 14 72.576 -4.050 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 14 71.962 -5.088 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 14 70.902 -3.694 5.420 1.00 0.00 H new ATOM 229 N MET A 15 72.747 -2.303 4.491 1.00 0.00 N ATOM 230 CA MET A 15 73.794 -1.413 4.001 1.00 0.00 C ATOM 231 C MET A 15 74.253 -0.467 5.105 1.00 0.00 C ATOM 232 O MET A 15 75.429 -0.109 5.181 1.00 0.00 O ATOM 233 CB MET A 15 73.274 -0.601 2.813 1.00 0.00 C ATOM 234 CG MET A 15 73.100 -1.521 1.603 1.00 0.00 C ATOM 235 SD MET A 15 74.722 -2.089 1.038 1.00 0.00 S ATOM 236 CE MET A 15 75.319 -0.497 0.421 1.00 0.00 C ATOM 0 H MET A 15 71.836 -2.172 4.051 1.00 0.00 H new ATOM 0 HA MET A 15 74.642 -2.020 3.683 1.00 0.00 H new ATOM 0 HB2 MET A 15 72.323 -0.133 3.067 1.00 0.00 H new ATOM 0 HB3 MET A 15 73.971 0.202 2.575 1.00 0.00 H new ATOM 0 HG2 MET A 15 72.476 -2.375 1.869 1.00 0.00 H new ATOM 0 HG3 MET A 15 72.589 -0.990 0.800 1.00 0.00 H new ATOM 0 HE1 MET A 15 75.738 -0.627 -0.577 1.00 0.00 H new ATOM 0 HE2 MET A 15 74.491 0.210 0.378 1.00 0.00 H new ATOM 0 HE3 MET A 15 76.089 -0.113 1.090 1.00 0.00 H new ATOM 246 N HIS A 16 73.318 -0.065 5.960 1.00 0.00 N ATOM 247 CA HIS A 16 73.638 0.840 7.057 1.00 0.00 C ATOM 248 C HIS A 16 72.527 0.829 8.102 1.00 0.00 C ATOM 249 O HIS A 16 72.498 -0.030 8.983 1.00 0.00 O ATOM 250 CB HIS A 16 73.825 2.262 6.524 1.00 0.00 C ATOM 251 CG HIS A 16 73.802 3.235 7.671 1.00 0.00 C ATOM 252 ND1 HIS A 16 74.862 3.359 8.557 1.00 0.00 N ATOM 253 CD2 HIS A 16 72.856 4.137 8.090 1.00 0.00 C ATOM 254 CE1 HIS A 16 74.531 4.303 9.456 1.00 0.00 C ATOM 255 NE2 HIS A 16 73.318 4.810 9.217 1.00 0.00 N ATOM 0 H HIS A 16 72.339 -0.349 5.915 1.00 0.00 H new ATOM 0 HA HIS A 16 74.564 0.502 7.523 1.00 0.00 H new ATOM 0 HB2 HIS A 16 74.770 2.339 5.987 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.034 2.502 5.813 1.00 0.00 H new ATOM 0 HD2 HIS A 16 71.899 4.300 7.617 1.00 0.00 H new ATOM 0 HE1 HIS A 16 75.168 4.613 10.271 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.834 5.535 9.747 1.00 0.00 H new ATOM 263 N ALA A 17 71.615 1.789 7.998 1.00 0.00 N ATOM 264 CA ALA A 17 70.505 1.881 8.939 1.00 0.00 C ATOM 265 C ALA A 17 69.193 2.129 8.201 1.00 0.00 C ATOM 266 O ALA A 17 68.143 2.301 8.820 1.00 0.00 O ATOM 267 CB ALA A 17 70.756 3.016 9.934 1.00 0.00 C ATOM 0 H ALA A 17 71.622 2.510 7.277 1.00 0.00 H new ATOM 0 HA ALA A 17 70.432 0.936 9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 17 69.922 3.078 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 17 71.677 2.821 10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 17 70.848 3.959 9.395 1.00 0.00 H new ATOM 273 N ARG A 18 69.262 2.148 6.874 1.00 0.00 N ATOM 274 CA ARG A 18 68.073 2.376 6.061 1.00 0.00 C ATOM 275 C ARG A 18 66.922 1.497 6.539 1.00 0.00 C ATOM 276 O ARG A 18 65.815 1.979 6.777 1.00 0.00 O ATOM 277 CB ARG A 18 68.376 2.071 4.592 1.00 0.00 C ATOM 278 CG ARG A 18 68.212 3.346 3.762 1.00 0.00 C ATOM 279 CD ARG A 18 68.631 3.071 2.317 1.00 0.00 C ATOM 280 NE ARG A 18 67.650 2.213 1.662 1.00 0.00 N ATOM 281 CZ ARG A 18 67.804 1.835 0.397 1.00 0.00 C ATOM 282 NH1 ARG A 18 66.913 1.067 -0.167 1.00 0.00 N ATOM 283 NH2 ARG A 18 68.845 2.233 -0.280 1.00 0.00 N ATOM 0 H ARG A 18 70.121 2.009 6.342 1.00 0.00 H new ATOM 0 HA ARG A 18 67.783 3.422 6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 18 69.391 1.687 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 18 67.704 1.296 4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 18 67.176 3.683 3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 18 68.820 4.147 4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 18 68.724 4.011 1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 18 69.611 2.594 2.299 1.00 0.00 H new ATOM 0 HE ARG A 18 66.832 1.898 2.183 1.00 0.00 H new ATOM 0 HH11 ARG A 18 66.098 0.757 0.363 1.00 0.00 H new ATOM 0 HH12 ARG A 18 67.031 0.777 -1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 18 69.541 2.834 0.161 1.00 0.00 H new ATOM 0 HH22 ARG A 18 68.963 1.943 -1.251 1.00 0.00 H new ATOM 297 N PRO A 19 67.168 0.223 6.679 1.00 0.00 N ATOM 298 CA PRO A 19 66.138 -0.752 7.139 1.00 0.00 C ATOM 299 C PRO A 19 65.383 -0.252 8.368 1.00 0.00 C ATOM 300 O PRO A 19 64.153 -0.244 8.392 1.00 0.00 O ATOM 301 CB PRO A 19 66.949 -2.007 7.468 1.00 0.00 C ATOM 302 CG PRO A 19 68.182 -1.915 6.631 1.00 0.00 C ATOM 303 CD PRO A 19 68.461 -0.426 6.416 1.00 0.00 C ATOM 0 HA PRO A 19 65.369 -0.923 6.386 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.197 -2.047 8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.385 -2.911 7.238 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.023 -2.398 7.128 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.041 -2.423 5.677 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.234 -0.063 7.094 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.808 -0.228 5.402 1.00 0.00 H new ATOM 311 N ALA A 20 66.130 0.167 9.385 1.00 0.00 N ATOM 312 CA ALA A 20 65.521 0.669 10.610 1.00 0.00 C ATOM 313 C ALA A 20 64.669 1.899 10.317 1.00 0.00 C ATOM 314 O ALA A 20 63.536 2.008 10.786 1.00 0.00 O ATOM 315 CB ALA A 20 66.607 1.026 11.626 1.00 0.00 C ATOM 0 H ALA A 20 67.150 0.169 9.385 1.00 0.00 H new ATOM 0 HA ALA A 20 64.882 -0.112 11.023 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.143 1.400 12.538 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.196 0.138 11.856 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.258 1.794 11.208 1.00 0.00 H new ATOM 321 N MET A 21 65.222 2.823 9.539 1.00 0.00 N ATOM 322 CA MET A 21 64.503 4.042 9.188 1.00 0.00 C ATOM 323 C MET A 21 63.255 3.711 8.376 1.00 0.00 C ATOM 324 O MET A 21 62.173 4.237 8.640 1.00 0.00 O ATOM 325 CB MET A 21 65.411 4.969 8.377 1.00 0.00 C ATOM 326 CG MET A 21 66.337 5.734 9.324 1.00 0.00 C ATOM 327 SD MET A 21 67.341 6.903 8.374 1.00 0.00 S ATOM 328 CE MET A 21 66.114 8.229 8.280 1.00 0.00 C ATOM 0 H MET A 21 66.159 2.752 9.142 1.00 0.00 H new ATOM 0 HA MET A 21 64.203 4.543 10.108 1.00 0.00 H new ATOM 0 HB2 MET A 21 65.999 4.389 7.666 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.809 5.668 7.796 1.00 0.00 H new ATOM 0 HG2 MET A 21 65.750 6.267 10.072 1.00 0.00 H new ATOM 0 HG3 MET A 21 66.981 5.038 9.861 1.00 0.00 H new ATOM 0 HE1 MET A 21 66.065 8.608 7.259 1.00 0.00 H new ATOM 0 HE2 MET A 21 65.137 7.842 8.570 1.00 0.00 H new ATOM 0 HE3 MET A 21 66.399 9.037 8.954 1.00 0.00 H new ATOM 338 N LYS A 22 63.412 2.833 7.391 1.00 0.00 N ATOM 339 CA LYS A 22 62.291 2.437 6.548 1.00 0.00 C ATOM 340 C LYS A 22 61.236 1.706 7.373 1.00 0.00 C ATOM 341 O LYS A 22 60.036 1.893 7.172 1.00 0.00 O ATOM 342 CB LYS A 22 62.780 1.528 5.419 1.00 0.00 C ATOM 343 CG LYS A 22 61.685 1.394 4.359 1.00 0.00 C ATOM 344 CD LYS A 22 62.218 0.588 3.173 1.00 0.00 C ATOM 345 CE LYS A 22 61.262 0.730 1.987 1.00 0.00 C ATOM 346 NZ LYS A 22 59.895 0.301 2.396 1.00 0.00 N ATOM 0 H LYS A 22 64.298 2.385 7.158 1.00 0.00 H new ATOM 0 HA LYS A 22 61.846 3.335 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.685 1.940 4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 22 63.039 0.546 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.811 0.901 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.363 2.381 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.212 0.941 2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.318 -0.462 3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.243 1.764 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.610 0.123 1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.295 0.202 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.951 -0.613 2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 59.483 1.014 3.032 1.00 0.00 H new ATOM 360 N LEU A 23 61.693 0.873 8.302 1.00 0.00 N ATOM 361 CA LEU A 23 60.781 0.121 9.154 1.00 0.00 C ATOM 362 C LEU A 23 59.723 1.044 9.751 1.00 0.00 C ATOM 363 O LEU A 23 58.536 0.720 9.761 1.00 0.00 O ATOM 364 CB LEU A 23 61.559 -0.563 10.279 1.00 0.00 C ATOM 365 CG LEU A 23 61.509 -2.080 10.087 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.388 -2.758 11.140 1.00 0.00 C ATOM 367 CD2 LEU A 23 60.066 -2.565 10.239 1.00 0.00 C ATOM 0 H LEU A 23 62.682 0.703 8.483 1.00 0.00 H new ATOM 0 HA LEU A 23 60.286 -0.635 8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.594 -0.220 10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 61.133 -0.294 11.246 1.00 0.00 H new ATOM 0 HG LEU A 23 61.875 -2.332 9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.352 -3.839 11.003 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.416 -2.413 11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.023 -2.506 12.136 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.029 -3.646 10.102 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.700 -2.312 11.234 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.439 -2.083 9.489 1.00 0.00 H new ATOM 379 N PHE A 24 60.163 2.196 10.246 1.00 0.00 N ATOM 380 CA PHE A 24 59.246 3.160 10.840 1.00 0.00 C ATOM 381 C PHE A 24 58.144 3.526 9.852 1.00 0.00 C ATOM 382 O PHE A 24 56.986 3.697 10.232 1.00 0.00 O ATOM 383 CB PHE A 24 60.006 4.422 11.251 1.00 0.00 C ATOM 384 CG PHE A 24 60.341 4.352 12.722 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.447 3.612 13.153 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.545 5.030 13.653 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.757 3.546 14.517 1.00 0.00 C ATOM 388 CE2 PHE A 24 59.855 4.965 15.018 1.00 0.00 C ATOM 389 CZ PHE A 24 60.962 4.223 15.449 1.00 0.00 C ATOM 0 H PHE A 24 61.142 2.483 10.248 1.00 0.00 H new ATOM 0 HA PHE A 24 58.794 2.707 11.722 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.919 4.517 10.663 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.402 5.306 11.046 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.062 3.091 12.434 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.692 5.603 13.319 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.610 2.973 14.850 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.241 5.487 15.737 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.202 4.173 16.501 1.00 0.00 H new ATOM 399 N GLU A 25 58.512 3.642 8.580 1.00 0.00 N ATOM 400 CA GLU A 25 57.545 3.986 7.544 1.00 0.00 C ATOM 401 C GLU A 25 56.636 2.798 7.248 1.00 0.00 C ATOM 402 O GLU A 25 55.450 2.967 6.967 1.00 0.00 O ATOM 403 CB GLU A 25 58.275 4.404 6.266 1.00 0.00 C ATOM 404 CG GLU A 25 57.254 4.834 5.211 1.00 0.00 C ATOM 405 CD GLU A 25 57.970 5.278 3.941 1.00 0.00 C ATOM 406 OE1 GLU A 25 59.190 5.275 3.941 1.00 0.00 O ATOM 407 OE2 GLU A 25 57.288 5.613 2.986 1.00 0.00 O ATOM 0 H GLU A 25 59.465 3.504 8.244 1.00 0.00 H new ATOM 0 HA GLU A 25 56.936 4.816 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 25 58.961 5.224 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 25 58.875 3.575 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.580 4.007 4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.642 5.649 5.597 1.00 0.00 H new ATOM 414 N LEU A 26 57.200 1.596 7.316 1.00 0.00 N ATOM 415 CA LEU A 26 56.430 0.386 7.056 1.00 0.00 C ATOM 416 C LEU A 26 55.308 0.238 8.078 1.00 0.00 C ATOM 417 O LEU A 26 54.174 -0.086 7.727 1.00 0.00 O ATOM 418 CB LEU A 26 57.345 -0.840 7.116 1.00 0.00 C ATOM 419 CG LEU A 26 58.345 -0.787 5.960 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.210 -2.048 5.977 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.587 -0.707 4.634 1.00 0.00 C ATOM 0 H LEU A 26 58.180 1.435 7.547 1.00 0.00 H new ATOM 0 HA LEU A 26 55.993 0.462 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 26 57.875 -0.865 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.752 -1.753 7.057 1.00 0.00 H new ATOM 0 HG LEU A 26 58.981 0.092 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 26 59.923 -2.011 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.750 -2.106 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.574 -2.927 5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.299 -0.669 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 26 56.952 -1.586 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 26 56.969 0.191 4.622 1.00 0.00 H new ATOM 433 N MET A 27 55.634 0.477 9.344 1.00 0.00 N ATOM 434 CA MET A 27 54.645 0.369 10.410 1.00 0.00 C ATOM 435 C MET A 27 53.448 1.269 10.121 1.00 0.00 C ATOM 436 O MET A 27 52.316 0.950 10.487 1.00 0.00 O ATOM 437 CB MET A 27 55.273 0.766 11.748 1.00 0.00 C ATOM 438 CG MET A 27 56.338 -0.262 12.137 1.00 0.00 C ATOM 439 SD MET A 27 55.561 -1.624 13.041 1.00 0.00 S ATOM 440 CE MET A 27 55.178 -0.704 14.552 1.00 0.00 C ATOM 0 H MET A 27 56.568 0.745 9.655 1.00 0.00 H new ATOM 0 HA MET A 27 54.305 -0.665 10.462 1.00 0.00 H new ATOM 0 HB2 MET A 27 55.720 1.757 11.672 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.506 0.820 12.520 1.00 0.00 H new ATOM 0 HG2 MET A 27 56.836 -0.641 11.244 1.00 0.00 H new ATOM 0 HG3 MET A 27 57.104 0.208 12.754 1.00 0.00 H new ATOM 0 HE1 MET A 27 55.564 -1.246 15.416 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.641 0.282 14.505 1.00 0.00 H new ATOM 0 HE3 MET A 27 54.098 -0.593 14.647 1.00 0.00 H new ATOM 450 N GLN A 28 53.707 2.393 9.461 1.00 0.00 N ATOM 451 CA GLN A 28 52.642 3.332 9.126 1.00 0.00 C ATOM 452 C GLN A 28 51.889 2.866 7.885 1.00 0.00 C ATOM 453 O GLN A 28 50.660 2.917 7.836 1.00 0.00 O ATOM 454 CB GLN A 28 53.231 4.722 8.877 1.00 0.00 C ATOM 455 CG GLN A 28 53.984 5.190 10.123 1.00 0.00 C ATOM 456 CD GLN A 28 53.016 5.335 11.293 1.00 0.00 C ATOM 457 OE1 GLN A 28 52.007 6.032 11.182 1.00 0.00 O ATOM 458 NE2 GLN A 28 53.264 4.716 12.414 1.00 0.00 N ATOM 0 H GLN A 28 54.637 2.675 9.150 1.00 0.00 H new ATOM 0 HA GLN A 28 51.946 3.378 9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 28 53.905 4.694 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 28 52.436 5.427 8.634 1.00 0.00 H new ATOM 0 HG2 GLN A 28 54.767 4.475 10.375 1.00 0.00 H new ATOM 0 HG3 GLN A 28 54.474 6.143 9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 28 54.100 4.139 12.504 1.00 0.00 H new ATOM 0 HE22 GLN A 28 52.622 4.809 13.201 1.00 0.00 H new ATOM 467 N GLY A 29 52.636 2.409 6.884 1.00 0.00 N ATOM 468 CA GLY A 29 52.027 1.933 5.647 1.00 0.00 C ATOM 469 C GLY A 29 51.282 0.623 5.876 1.00 0.00 C ATOM 470 O GLY A 29 50.198 0.411 5.335 1.00 0.00 O ATOM 0 H GLY A 29 53.655 2.358 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.338 2.685 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.797 1.790 4.889 1.00 0.00 H new ATOM 474 N PHE A 30 51.873 -0.253 6.682 1.00 0.00 N ATOM 475 CA PHE A 30 51.256 -1.541 6.978 1.00 0.00 C ATOM 476 C PHE A 30 50.537 -1.492 8.323 1.00 0.00 C ATOM 477 O PHE A 30 50.835 -0.647 9.166 1.00 0.00 O ATOM 478 CB PHE A 30 52.322 -2.638 7.006 1.00 0.00 C ATOM 479 CG PHE A 30 53.171 -2.549 5.761 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.447 -3.122 5.741 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.681 -1.891 4.626 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.234 -3.040 4.586 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.467 -1.809 3.470 1.00 0.00 C ATOM 484 CZ PHE A 30 54.744 -2.383 3.450 1.00 0.00 C ATOM 0 H PHE A 30 52.771 -0.097 7.139 1.00 0.00 H new ATOM 0 HA PHE A 30 50.529 -1.763 6.197 1.00 0.00 H new ATOM 0 HB2 PHE A 30 52.946 -2.530 7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 30 51.849 -3.618 7.067 1.00 0.00 H new ATOM 0 HD1 PHE A 30 54.825 -3.628 6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.697 -1.447 4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 30 56.219 -3.483 4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 30 53.088 -1.303 2.594 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.351 -2.319 2.559 1.00 0.00 H new ATOM 494 N ASP A 31 49.590 -2.404 8.516 1.00 0.00 N ATOM 495 CA ASP A 31 48.835 -2.454 9.763 1.00 0.00 C ATOM 496 C ASP A 31 49.334 -3.594 10.645 1.00 0.00 C ATOM 497 O ASP A 31 48.876 -4.731 10.523 1.00 0.00 O ATOM 498 CB ASP A 31 47.347 -2.648 9.466 1.00 0.00 C ATOM 499 CG ASP A 31 46.866 -1.574 8.496 1.00 0.00 C ATOM 500 OD1 ASP A 31 46.540 -0.491 8.955 1.00 0.00 O ATOM 501 OD2 ASP A 31 46.830 -1.850 7.308 1.00 0.00 O ATOM 0 H ASP A 31 49.328 -3.113 7.831 1.00 0.00 H new ATOM 0 HA ASP A 31 48.979 -1.511 10.291 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.178 -3.637 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.773 -2.598 10.391 1.00 0.00 H new ATOM 506 N ALA A 32 50.271 -3.283 11.533 1.00 0.00 N ATOM 507 CA ALA A 32 50.824 -4.290 12.432 1.00 0.00 C ATOM 508 C ALA A 32 51.971 -3.705 13.251 1.00 0.00 C ATOM 509 O ALA A 32 52.624 -2.751 12.829 1.00 0.00 O ATOM 510 CB ALA A 32 51.330 -5.488 11.627 1.00 0.00 C ATOM 0 H ALA A 32 50.662 -2.348 11.650 1.00 0.00 H new ATOM 0 HA ALA A 32 50.036 -4.615 13.111 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.741 -6.235 12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.504 -5.924 11.065 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.106 -5.160 10.935 1.00 0.00 H new ATOM 516 N GLU A 33 52.209 -4.284 14.422 1.00 0.00 N ATOM 517 CA GLU A 33 53.280 -3.812 15.293 1.00 0.00 C ATOM 518 C GLU A 33 54.516 -4.694 15.150 1.00 0.00 C ATOM 519 O GLU A 33 54.437 -5.917 15.275 1.00 0.00 O ATOM 520 CB GLU A 33 52.811 -3.820 16.749 1.00 0.00 C ATOM 521 CG GLU A 33 53.885 -3.185 17.635 1.00 0.00 C ATOM 522 CD GLU A 33 53.388 -3.096 19.074 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.249 -3.467 19.310 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.151 -2.656 19.917 1.00 0.00 O ATOM 0 H GLU A 33 51.680 -5.075 14.789 1.00 0.00 H new ATOM 0 HA GLU A 33 53.538 -2.794 15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.875 -3.270 16.844 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.615 -4.842 17.073 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.799 -3.777 17.593 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.132 -2.190 17.265 1.00 0.00 H new ATOM 531 N VAL A 34 55.658 -4.067 14.887 1.00 0.00 N ATOM 532 CA VAL A 34 56.906 -4.805 14.729 1.00 0.00 C ATOM 533 C VAL A 34 57.806 -4.603 15.944 1.00 0.00 C ATOM 534 O VAL A 34 57.923 -3.494 16.463 1.00 0.00 O ATOM 535 CB VAL A 34 57.634 -4.337 13.469 1.00 0.00 C ATOM 536 CG1 VAL A 34 59.001 -5.020 13.384 1.00 0.00 C ATOM 537 CG2 VAL A 34 56.805 -4.705 12.235 1.00 0.00 C ATOM 0 H VAL A 34 55.745 -3.056 14.779 1.00 0.00 H new ATOM 0 HA VAL A 34 56.670 -5.865 14.639 1.00 0.00 H new ATOM 0 HB VAL A 34 57.769 -3.256 13.509 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.519 -4.686 12.485 1.00 0.00 H new ATOM 0 HG12 VAL A 34 59.593 -4.760 14.262 1.00 0.00 H new ATOM 0 HG13 VAL A 34 58.866 -6.101 13.344 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.323 -4.372 11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.670 -5.786 12.196 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.831 -4.220 12.293 1.00 0.00 H new ATOM 547 N LEU A 35 58.440 -5.683 16.391 1.00 0.00 N ATOM 548 CA LEU A 35 59.328 -5.611 17.545 1.00 0.00 C ATOM 549 C LEU A 35 60.597 -6.421 17.296 1.00 0.00 C ATOM 550 O LEU A 35 60.534 -7.567 16.852 1.00 0.00 O ATOM 551 CB LEU A 35 58.614 -6.147 18.788 1.00 0.00 C ATOM 552 CG LEU A 35 59.636 -6.402 19.896 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.057 -5.956 21.239 1.00 0.00 C ATOM 554 CD2 LEU A 35 59.963 -7.896 19.954 1.00 0.00 C ATOM 0 H LEU A 35 58.356 -6.611 15.975 1.00 0.00 H new ATOM 0 HA LEU A 35 59.602 -4.568 17.705 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.866 -5.431 19.127 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.086 -7.070 18.547 1.00 0.00 H new ATOM 0 HG LEU A 35 60.545 -5.838 19.687 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.786 -6.138 22.028 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.824 -4.892 21.199 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.148 -6.519 21.448 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.692 -8.079 20.744 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.054 -8.460 20.162 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.377 -8.215 18.998 1.00 0.00 H new ATOM 566 N LEU A 36 61.744 -5.818 17.586 1.00 0.00 N ATOM 567 CA LEU A 36 63.022 -6.493 17.388 1.00 0.00 C ATOM 568 C LEU A 36 63.631 -6.891 18.729 1.00 0.00 C ATOM 569 O LEU A 36 63.404 -6.233 19.745 1.00 0.00 O ATOM 570 CB LEU A 36 63.989 -5.574 16.639 1.00 0.00 C ATOM 571 CG LEU A 36 63.268 -4.935 15.451 1.00 0.00 C ATOM 572 CD1 LEU A 36 64.251 -4.066 14.664 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.719 -6.034 14.539 1.00 0.00 C ATOM 0 H LEU A 36 61.816 -4.870 17.956 1.00 0.00 H new ATOM 0 HA LEU A 36 62.848 -7.393 16.799 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.365 -4.801 17.309 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.852 -6.142 16.292 1.00 0.00 H new ATOM 0 HG LEU A 36 62.447 -4.317 15.814 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.737 -3.611 13.817 1.00 0.00 H new ATOM 0 HD12 LEU A 36 64.645 -3.284 15.313 1.00 0.00 H new ATOM 0 HD13 LEU A 36 65.072 -4.684 14.300 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.205 -5.580 13.692 1.00 0.00 H new ATOM 0 HD22 LEU A 36 63.541 -6.651 14.177 1.00 0.00 H new ATOM 0 HD23 LEU A 36 62.019 -6.655 15.098 1.00 0.00 H new ATOM 585 N ARG A 37 64.405 -7.971 18.725 1.00 0.00 N ATOM 586 CA ARG A 37 65.042 -8.448 19.946 1.00 0.00 C ATOM 587 C ARG A 37 66.350 -9.164 19.625 1.00 0.00 C ATOM 588 O ARG A 37 66.417 -9.964 18.692 1.00 0.00 O ATOM 589 CB ARG A 37 64.104 -9.403 20.687 1.00 0.00 C ATOM 590 CG ARG A 37 64.928 -10.374 21.535 1.00 0.00 C ATOM 591 CD ARG A 37 64.051 -10.949 22.648 1.00 0.00 C ATOM 592 NE ARG A 37 62.991 -11.775 22.082 1.00 0.00 N ATOM 593 CZ ARG A 37 62.037 -12.291 22.849 1.00 0.00 C ATOM 594 NH1 ARG A 37 61.099 -13.027 22.317 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.037 -12.062 24.133 1.00 0.00 N ATOM 0 H ARG A 37 64.605 -8.529 17.895 1.00 0.00 H new ATOM 0 HA ARG A 37 65.258 -7.588 20.579 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.421 -8.839 21.322 1.00 0.00 H new ATOM 0 HB3 ARG A 37 63.493 -9.956 19.973 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.317 -11.179 20.911 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.788 -9.860 21.964 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.660 -11.543 23.329 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.616 -10.139 23.233 1.00 0.00 H new ATOM 0 HE ARG A 37 62.982 -11.960 21.079 1.00 0.00 H new ATOM 0 HH11 ARG A 37 61.099 -13.206 21.313 1.00 0.00 H new ATOM 0 HH12 ARG A 37 60.366 -13.423 22.906 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.770 -11.487 24.548 1.00 0.00 H new ATOM 0 HH22 ARG A 37 61.304 -12.458 24.722 1.00 0.00 H new ATOM 609 N ASN A 38 67.386 -8.870 20.403 1.00 0.00 N ATOM 610 CA ASN A 38 68.689 -9.493 20.192 1.00 0.00 C ATOM 611 C ASN A 38 68.796 -10.793 20.981 1.00 0.00 C ATOM 612 O ASN A 38 68.123 -10.972 21.997 1.00 0.00 O ATOM 613 CB ASN A 38 69.801 -8.536 20.626 1.00 0.00 C ATOM 614 CG ASN A 38 69.874 -7.352 19.670 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.280 -7.386 18.591 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.571 -6.299 20.000 1.00 0.00 N ATOM 0 H ASN A 38 67.351 -8.210 21.180 1.00 0.00 H new ATOM 0 HA ASN A 38 68.796 -9.717 19.131 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.613 -8.184 21.640 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.757 -9.060 20.642 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.624 -5.503 19.364 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.062 -6.272 20.893 1.00 0.00 H new ATOM 623 N ASP A 39 69.646 -11.698 20.507 1.00 0.00 N ATOM 624 CA ASP A 39 69.833 -12.980 21.177 1.00 0.00 C ATOM 625 C ASP A 39 70.240 -12.770 22.633 1.00 0.00 C ATOM 626 O ASP A 39 70.049 -13.649 23.474 1.00 0.00 O ATOM 627 CB ASP A 39 70.908 -13.795 20.457 1.00 0.00 C ATOM 628 CG ASP A 39 72.208 -13.000 20.392 1.00 0.00 C ATOM 629 OD1 ASP A 39 72.175 -11.823 20.708 1.00 0.00 O ATOM 630 OD2 ASP A 39 73.217 -13.581 20.027 1.00 0.00 O ATOM 0 H ASP A 39 70.212 -11.569 19.668 1.00 0.00 H new ATOM 0 HA ASP A 39 68.888 -13.523 21.150 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.074 -14.737 20.980 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.574 -14.044 19.450 1.00 0.00 H new ATOM 635 N GLU A 40 70.803 -11.602 22.921 1.00 0.00 N ATOM 636 CA GLU A 40 71.234 -11.287 24.279 1.00 0.00 C ATOM 637 C GLU A 40 70.029 -11.098 25.194 1.00 0.00 C ATOM 638 O GLU A 40 70.152 -11.146 26.417 1.00 0.00 O ATOM 639 CB GLU A 40 72.080 -10.013 24.277 1.00 0.00 C ATOM 640 CG GLU A 40 73.303 -10.213 23.380 1.00 0.00 C ATOM 641 CD GLU A 40 74.297 -11.151 24.056 1.00 0.00 C ATOM 642 OE1 GLU A 40 74.158 -11.371 25.248 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.182 -11.638 23.371 1.00 0.00 O ATOM 0 H GLU A 40 70.971 -10.862 22.239 1.00 0.00 H new ATOM 0 HA GLU A 40 71.832 -12.119 24.652 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.487 -9.171 23.919 1.00 0.00 H new ATOM 0 HB3 GLU A 40 72.396 -9.772 25.292 1.00 0.00 H new ATOM 0 HG2 GLU A 40 72.996 -10.626 22.419 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.777 -9.252 23.177 1.00 0.00 H new ATOM 650 N GLY A 41 68.863 -10.885 24.592 1.00 0.00 N ATOM 651 CA GLY A 41 67.641 -10.691 25.363 1.00 0.00 C ATOM 652 C GLY A 41 67.259 -9.215 25.417 1.00 0.00 C ATOM 653 O GLY A 41 66.368 -8.821 26.169 1.00 0.00 O ATOM 0 H GLY A 41 68.739 -10.843 23.580 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.829 -11.265 24.916 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.780 -11.072 26.375 1.00 0.00 H new ATOM 657 N THR A 42 67.940 -8.404 24.615 1.00 0.00 N ATOM 658 CA THR A 42 67.665 -6.972 24.579 1.00 0.00 C ATOM 659 C THR A 42 66.547 -6.667 23.587 1.00 0.00 C ATOM 660 O THR A 42 66.692 -6.890 22.385 1.00 0.00 O ATOM 661 CB THR A 42 68.928 -6.207 24.180 1.00 0.00 C ATOM 662 OG1 THR A 42 69.745 -6.014 25.326 1.00 0.00 O ATOM 663 CG2 THR A 42 68.540 -4.849 23.593 1.00 0.00 C ATOM 0 H THR A 42 68.681 -8.711 23.985 1.00 0.00 H new ATOM 0 HA THR A 42 67.349 -6.656 25.573 1.00 0.00 H new ATOM 0 HB THR A 42 69.479 -6.779 23.433 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.555 -5.525 25.071 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.441 -4.305 23.309 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.914 -4.998 22.713 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.989 -4.275 24.338 1.00 0.00 H new ATOM 671 N GLU A 43 65.432 -6.155 24.098 1.00 0.00 N ATOM 672 CA GLU A 43 64.295 -5.823 23.248 1.00 0.00 C ATOM 673 C GLU A 43 64.523 -4.488 22.546 1.00 0.00 C ATOM 674 O GLU A 43 64.430 -3.427 23.162 1.00 0.00 O ATOM 675 CB GLU A 43 63.019 -5.748 24.087 1.00 0.00 C ATOM 676 CG GLU A 43 62.638 -7.150 24.565 1.00 0.00 C ATOM 677 CD GLU A 43 61.396 -7.082 25.447 1.00 0.00 C ATOM 678 OE1 GLU A 43 61.003 -5.982 25.798 1.00 0.00 O ATOM 679 OE2 GLU A 43 60.856 -8.131 25.758 1.00 0.00 O ATOM 0 H GLU A 43 65.292 -5.962 25.090 1.00 0.00 H new ATOM 0 HA GLU A 43 64.189 -6.604 22.495 1.00 0.00 H new ATOM 0 HB2 GLU A 43 63.172 -5.090 24.942 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.208 -5.321 23.497 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.450 -7.797 23.708 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.465 -7.591 25.121 1.00 0.00 H new ATOM 686 N ALA A 44 64.822 -4.549 21.252 1.00 0.00 N ATOM 687 CA ALA A 44 65.062 -3.339 20.475 1.00 0.00 C ATOM 688 C ALA A 44 63.779 -2.878 19.792 1.00 0.00 C ATOM 689 O ALA A 44 63.686 -2.872 18.564 1.00 0.00 O ATOM 690 CB ALA A 44 66.139 -3.598 19.420 1.00 0.00 C ATOM 0 H ALA A 44 64.903 -5.417 20.723 1.00 0.00 H new ATOM 0 HA ALA A 44 65.401 -2.556 21.154 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.311 -2.688 18.845 1.00 0.00 H new ATOM 0 HB2 ALA A 44 67.065 -3.897 19.911 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.809 -4.393 18.751 1.00 0.00 H new ATOM 696 N GLU A 45 62.792 -2.492 20.595 1.00 0.00 N ATOM 697 CA GLU A 45 61.517 -2.032 20.056 1.00 0.00 C ATOM 698 C GLU A 45 61.738 -1.181 18.810 1.00 0.00 C ATOM 699 O GLU A 45 62.416 -0.154 18.859 1.00 0.00 O ATOM 700 CB GLU A 45 60.755 -1.234 21.102 1.00 0.00 C ATOM 701 CG GLU A 45 59.288 -1.101 20.688 1.00 0.00 C ATOM 702 CD GLU A 45 58.513 -0.337 21.756 1.00 0.00 C ATOM 703 OE1 GLU A 45 57.324 -0.137 21.568 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.119 0.037 22.747 1.00 0.00 O ATOM 0 H GLU A 45 62.849 -2.488 21.613 1.00 0.00 H new ATOM 0 HA GLU A 45 60.927 -2.907 19.782 1.00 0.00 H new ATOM 0 HB2 GLU A 45 60.825 -1.728 22.071 1.00 0.00 H new ATOM 0 HB3 GLU A 45 61.201 -0.246 21.215 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.217 -0.581 19.733 1.00 0.00 H new ATOM 0 HG3 GLU A 45 58.850 -2.089 20.546 1.00 0.00 H new ATOM 711 N ALA A 46 61.161 -1.614 17.693 1.00 0.00 N ATOM 712 CA ALA A 46 61.301 -0.883 16.439 1.00 0.00 C ATOM 713 C ALA A 46 60.759 0.535 16.583 1.00 0.00 C ATOM 714 O ALA A 46 60.910 1.362 15.683 1.00 0.00 O ATOM 715 CB ALA A 46 60.547 -1.610 15.324 1.00 0.00 C ATOM 0 H ALA A 46 60.596 -2.461 17.631 1.00 0.00 H new ATOM 0 HA ALA A 46 62.360 -0.831 16.186 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.656 -1.058 14.391 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.956 -2.613 15.202 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.491 -1.678 15.584 1.00 0.00 H new ATOM 721 N ASN A 47 60.128 0.810 17.719 1.00 0.00 N ATOM 722 CA ASN A 47 59.568 2.133 17.970 1.00 0.00 C ATOM 723 C ASN A 47 60.395 2.876 19.016 1.00 0.00 C ATOM 724 O ASN A 47 59.847 3.522 19.909 1.00 0.00 O ATOM 725 CB ASN A 47 58.123 2.005 18.457 1.00 0.00 C ATOM 726 CG ASN A 47 57.531 3.389 18.702 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.551 3.882 19.830 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.002 4.048 17.707 1.00 0.00 N ATOM 0 H ASN A 47 59.992 0.140 18.476 1.00 0.00 H new ATOM 0 HA ASN A 47 59.589 2.698 17.038 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.527 1.471 17.717 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.091 1.419 19.375 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.604 4.974 17.863 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.987 3.637 16.774 1.00 0.00 H new ATOM 735 N SER A 48 61.714 2.780 18.896 1.00 0.00 N ATOM 736 CA SER A 48 62.607 3.447 19.837 1.00 0.00 C ATOM 737 C SER A 48 63.982 3.658 19.213 1.00 0.00 C ATOM 738 O SER A 48 64.621 2.710 18.757 1.00 0.00 O ATOM 739 CB SER A 48 62.745 2.610 21.109 1.00 0.00 C ATOM 740 OG SER A 48 64.092 2.661 21.561 1.00 0.00 O ATOM 0 H SER A 48 62.186 2.251 18.163 1.00 0.00 H new ATOM 0 HA SER A 48 62.181 4.419 20.086 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.076 2.988 21.881 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.454 1.578 20.912 1.00 0.00 H new ATOM 0 HG SER A 48 64.184 2.127 22.377 1.00 0.00 H new ATOM 746 N VAL A 49 64.434 4.909 19.197 1.00 0.00 N ATOM 747 CA VAL A 49 65.735 5.234 18.627 1.00 0.00 C ATOM 748 C VAL A 49 66.852 4.572 19.429 1.00 0.00 C ATOM 749 O VAL A 49 67.834 4.093 18.864 1.00 0.00 O ATOM 750 CB VAL A 49 65.939 6.749 18.619 1.00 0.00 C ATOM 751 CG1 VAL A 49 64.863 7.406 17.752 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.835 7.283 20.050 1.00 0.00 C ATOM 0 H VAL A 49 63.922 5.708 19.570 1.00 0.00 H new ATOM 0 HA VAL A 49 65.766 4.859 17.604 1.00 0.00 H new ATOM 0 HB VAL A 49 66.924 6.981 18.213 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.009 8.486 17.747 1.00 0.00 H new ATOM 0 HG12 VAL A 49 64.934 7.025 16.733 1.00 0.00 H new ATOM 0 HG13 VAL A 49 63.878 7.175 18.158 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.980 8.363 20.047 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.850 7.051 20.454 1.00 0.00 H new ATOM 0 HG23 VAL A 49 66.601 6.816 20.669 1.00 0.00 H new ATOM 762 N ILE A 50 66.693 4.551 20.748 1.00 0.00 N ATOM 763 CA ILE A 50 67.693 3.945 21.618 1.00 0.00 C ATOM 764 C ILE A 50 67.856 2.462 21.298 1.00 0.00 C ATOM 765 O ILE A 50 68.958 1.919 21.368 1.00 0.00 O ATOM 766 CB ILE A 50 67.282 4.111 23.082 1.00 0.00 C ATOM 767 CG1 ILE A 50 67.333 5.593 23.460 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.242 3.324 23.975 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.591 5.810 24.779 1.00 0.00 C ATOM 0 H ILE A 50 65.887 4.944 21.235 1.00 0.00 H new ATOM 0 HA ILE A 50 68.645 4.448 21.449 1.00 0.00 H new ATOM 0 HB ILE A 50 66.268 3.735 23.219 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.369 5.919 23.555 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.880 6.196 22.673 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.949 3.443 25.018 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.206 2.268 23.706 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.256 3.699 23.838 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.628 6.866 25.048 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.552 5.500 24.667 1.00 0.00 H new ATOM 0 HD13 ILE A 50 67.064 5.219 25.564 1.00 0.00 H new ATOM 781 N ALA A 51 66.750 1.813 20.948 1.00 0.00 N ATOM 782 CA ALA A 51 66.781 0.393 20.619 1.00 0.00 C ATOM 783 C ALA A 51 67.600 0.152 19.356 1.00 0.00 C ATOM 784 O ALA A 51 68.376 -0.800 19.279 1.00 0.00 O ATOM 785 CB ALA A 51 65.357 -0.126 20.414 1.00 0.00 C ATOM 0 H ALA A 51 65.828 2.244 20.885 1.00 0.00 H new ATOM 0 HA ALA A 51 67.247 -0.142 21.446 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.388 -1.188 20.169 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.782 0.018 21.329 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.884 0.421 19.598 1.00 0.00 H new ATOM 791 N LEU A 52 67.421 1.022 18.367 1.00 0.00 N ATOM 792 CA LEU A 52 68.148 0.894 17.109 1.00 0.00 C ATOM 793 C LEU A 52 69.653 0.966 17.350 1.00 0.00 C ATOM 794 O LEU A 52 70.427 0.238 16.729 1.00 0.00 O ATOM 795 CB LEU A 52 67.730 2.007 16.147 1.00 0.00 C ATOM 796 CG LEU A 52 68.474 1.843 14.821 1.00 0.00 C ATOM 797 CD1 LEU A 52 68.210 0.447 14.255 1.00 0.00 C ATOM 798 CD2 LEU A 52 67.980 2.897 13.828 1.00 0.00 C ATOM 0 H LEU A 52 66.784 1.817 18.411 1.00 0.00 H new ATOM 0 HA LEU A 52 67.907 -0.074 16.670 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.654 1.971 15.979 1.00 0.00 H new ATOM 0 HB3 LEU A 52 67.952 2.981 16.583 1.00 0.00 H new ATOM 0 HG LEU A 52 69.544 1.970 14.987 1.00 0.00 H new ATOM 0 HD11 LEU A 52 68.741 0.331 13.310 1.00 0.00 H new ATOM 0 HD12 LEU A 52 68.560 -0.305 14.962 1.00 0.00 H new ATOM 0 HD13 LEU A 52 67.141 0.318 14.089 1.00 0.00 H new ATOM 0 HD21 LEU A 52 68.509 2.782 12.882 1.00 0.00 H new ATOM 0 HD22 LEU A 52 66.910 2.769 13.663 1.00 0.00 H new ATOM 0 HD23 LEU A 52 68.168 3.892 14.230 1.00 0.00 H new ATOM 810 N LEU A 53 70.060 1.850 18.255 1.00 0.00 N ATOM 811 CA LEU A 53 71.475 2.009 18.570 1.00 0.00 C ATOM 812 C LEU A 53 72.036 0.728 19.182 1.00 0.00 C ATOM 813 O LEU A 53 73.183 0.360 18.931 1.00 0.00 O ATOM 814 CB LEU A 53 71.665 3.169 19.549 1.00 0.00 C ATOM 815 CG LEU A 53 72.336 4.341 18.827 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.357 5.563 19.747 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.769 3.957 18.457 1.00 0.00 C ATOM 0 H LEU A 53 69.436 2.463 18.780 1.00 0.00 H new ATOM 0 HA LEU A 53 72.011 2.222 17.645 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.701 3.480 19.952 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.276 2.850 20.393 1.00 0.00 H new ATOM 0 HG LEU A 53 71.777 4.578 17.922 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.835 6.397 19.233 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.336 5.837 20.012 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.916 5.327 20.653 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.248 4.790 17.943 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.328 3.720 19.363 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.755 3.086 17.801 1.00 0.00 H new ATOM 829 N MET A 54 71.218 0.055 19.985 1.00 0.00 N ATOM 830 CA MET A 54 71.643 -1.183 20.627 1.00 0.00 C ATOM 831 C MET A 54 71.848 -2.282 19.588 1.00 0.00 C ATOM 832 O MET A 54 72.781 -3.078 19.690 1.00 0.00 O ATOM 833 CB MET A 54 70.592 -1.630 21.645 1.00 0.00 C ATOM 834 CG MET A 54 70.523 -0.615 22.787 1.00 0.00 C ATOM 835 SD MET A 54 69.148 -1.034 23.886 1.00 0.00 S ATOM 836 CE MET A 54 69.499 0.194 25.167 1.00 0.00 C ATOM 0 H MET A 54 70.265 0.343 20.205 1.00 0.00 H new ATOM 0 HA MET A 54 72.589 -1.000 21.138 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.618 -1.718 21.163 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.845 -2.616 22.035 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.460 -0.614 23.344 1.00 0.00 H new ATOM 0 HG3 MET A 54 70.389 0.390 22.387 1.00 0.00 H new ATOM 0 HE1 MET A 54 68.572 0.470 25.670 1.00 0.00 H new ATOM 0 HE2 MET A 54 70.195 -0.227 25.893 1.00 0.00 H new ATOM 0 HE3 MET A 54 69.942 1.079 24.711 1.00 0.00 H new ATOM 846 N LEU A 55 70.971 -2.317 18.590 1.00 0.00 N ATOM 847 CA LEU A 55 71.067 -3.323 17.538 1.00 0.00 C ATOM 848 C LEU A 55 72.383 -3.179 16.780 1.00 0.00 C ATOM 849 O LEU A 55 72.899 -4.149 16.224 1.00 0.00 O ATOM 850 CB LEU A 55 69.897 -3.172 16.565 1.00 0.00 C ATOM 851 CG LEU A 55 68.589 -3.510 17.282 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.408 -3.218 16.355 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.584 -4.994 17.659 1.00 0.00 C ATOM 0 H LEU A 55 70.192 -1.666 18.487 1.00 0.00 H new ATOM 0 HA LEU A 55 71.031 -4.310 17.999 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.860 -2.153 16.180 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.035 -3.832 15.708 1.00 0.00 H new ATOM 0 HG LEU A 55 68.502 -2.904 18.184 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.476 -3.459 16.866 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.411 -2.162 16.084 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.495 -3.824 15.453 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.652 -5.236 18.170 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.671 -5.599 16.756 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.425 -5.205 18.319 1.00 0.00 H new ATOM 865 N ASP A 56 72.921 -1.964 16.762 1.00 0.00 N ATOM 866 CA ASP A 56 74.177 -1.705 16.069 1.00 0.00 C ATOM 867 C ASP A 56 75.261 -2.666 16.548 1.00 0.00 C ATOM 868 O ASP A 56 76.084 -3.132 15.759 1.00 0.00 O ATOM 869 CB ASP A 56 74.624 -0.263 16.318 1.00 0.00 C ATOM 870 CG ASP A 56 75.839 0.062 15.457 1.00 0.00 C ATOM 871 OD1 ASP A 56 76.424 -0.862 14.918 1.00 0.00 O ATOM 872 OD2 ASP A 56 76.167 1.233 15.348 1.00 0.00 O ATOM 0 H ASP A 56 72.510 -1.148 17.216 1.00 0.00 H new ATOM 0 HA ASP A 56 74.019 -1.856 15.001 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.810 0.424 16.087 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.867 -0.126 17.372 1.00 0.00 H new ATOM 877 N SER A 57 75.255 -2.956 17.844 1.00 0.00 N ATOM 878 CA SER A 57 76.243 -3.863 18.418 1.00 0.00 C ATOM 879 C SER A 57 75.894 -5.312 18.092 1.00 0.00 C ATOM 880 O SER A 57 76.588 -6.237 18.513 1.00 0.00 O ATOM 881 CB SER A 57 76.303 -3.679 19.934 1.00 0.00 C ATOM 882 OG SER A 57 77.245 -4.593 20.481 1.00 0.00 O ATOM 0 H SER A 57 74.583 -2.580 18.513 1.00 0.00 H new ATOM 0 HA SER A 57 77.216 -3.630 17.986 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.589 -2.656 20.177 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.319 -3.847 20.372 1.00 0.00 H new ATOM 0 HG SER A 57 77.357 -5.352 19.871 1.00 0.00 H new ATOM 888 N ALA A 58 74.814 -5.501 17.341 1.00 0.00 N ATOM 889 CA ALA A 58 74.382 -6.842 16.965 1.00 0.00 C ATOM 890 C ALA A 58 75.029 -7.264 15.650 1.00 0.00 C ATOM 891 O ALA A 58 74.449 -8.029 14.879 1.00 0.00 O ATOM 892 CB ALA A 58 72.860 -6.878 16.821 1.00 0.00 C ATOM 0 H ALA A 58 74.226 -4.749 16.983 1.00 0.00 H new ATOM 0 HA ALA A 58 74.690 -7.536 17.747 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.545 -7.883 16.540 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.398 -6.605 17.770 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.551 -6.172 16.050 1.00 0.00 H new ATOM 898 N LYS A 59 76.234 -6.761 15.400 1.00 0.00 N ATOM 899 CA LYS A 59 76.952 -7.094 14.174 1.00 0.00 C ATOM 900 C LYS A 59 77.525 -8.505 14.255 1.00 0.00 C ATOM 901 O LYS A 59 78.610 -8.715 14.796 1.00 0.00 O ATOM 902 CB LYS A 59 78.084 -6.093 13.945 1.00 0.00 C ATOM 903 CG LYS A 59 78.542 -6.163 12.487 1.00 0.00 C ATOM 904 CD LYS A 59 79.704 -5.193 12.268 1.00 0.00 C ATOM 905 CE LYS A 59 81.020 -5.884 12.629 1.00 0.00 C ATOM 906 NZ LYS A 59 82.156 -4.950 12.378 1.00 0.00 N ATOM 0 H LYS A 59 76.731 -6.126 16.025 1.00 0.00 H new ATOM 0 HA LYS A 59 76.252 -7.047 13.340 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.745 -5.085 14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 59 78.919 -6.314 14.610 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.851 -7.179 12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.715 -5.912 11.823 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.727 -4.864 11.229 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.569 -4.302 12.881 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.009 -6.187 13.676 1.00 0.00 H new ATOM 0 HE3 LYS A 59 81.142 -6.790 12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 83.051 -5.419 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 82.169 -4.682 11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 82.040 -4.098 12.962 1.00 0.00 H new ATOM 920 N GLY A 60 76.787 -9.470 13.714 1.00 0.00 N ATOM 921 CA GLY A 60 77.234 -10.857 13.729 1.00 0.00 C ATOM 922 C GLY A 60 76.450 -11.669 14.755 1.00 0.00 C ATOM 923 O GLY A 60 76.736 -12.845 14.980 1.00 0.00 O ATOM 0 H GLY A 60 75.884 -9.318 13.264 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.108 -11.295 12.739 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.298 -10.898 13.962 1.00 0.00 H new ATOM 927 N ARG A 61 75.460 -11.035 15.373 1.00 0.00 N ATOM 928 CA ARG A 61 74.640 -11.709 16.374 1.00 0.00 C ATOM 929 C ARG A 61 73.276 -12.070 15.795 1.00 0.00 C ATOM 930 O ARG A 61 72.906 -11.604 14.717 1.00 0.00 O ATOM 931 CB ARG A 61 74.455 -10.805 17.593 1.00 0.00 C ATOM 932 CG ARG A 61 75.821 -10.496 18.212 1.00 0.00 C ATOM 933 CD ARG A 61 75.627 -9.853 19.586 1.00 0.00 C ATOM 934 NE ARG A 61 76.912 -9.432 20.132 1.00 0.00 N ATOM 935 CZ ARG A 61 77.723 -10.302 20.727 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.868 -9.902 21.209 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.374 -11.555 20.830 1.00 0.00 N ATOM 0 H ARG A 61 75.206 -10.062 15.201 1.00 0.00 H new ATOM 0 HA ARG A 61 75.148 -12.625 16.675 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.959 -9.880 17.301 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.813 -11.293 18.327 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.404 -11.412 18.307 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.383 -9.826 17.562 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.960 -8.995 19.503 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.151 -10.562 20.263 1.00 0.00 H new ATOM 0 HE ARG A 61 77.193 -8.454 20.056 1.00 0.00 H new ATOM 0 HH11 ARG A 61 79.141 -8.922 21.129 1.00 0.00 H new ATOM 0 HH12 ARG A 61 79.490 -10.569 21.665 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.479 -11.868 20.454 1.00 0.00 H new ATOM 0 HH22 ARG A 61 77.996 -12.222 21.286 1.00 0.00 H new ATOM 951 N GLN A 62 72.533 -12.903 16.516 1.00 0.00 N ATOM 952 CA GLN A 62 71.211 -13.319 16.063 1.00 0.00 C ATOM 953 C GLN A 62 70.124 -12.516 16.769 1.00 0.00 C ATOM 954 O GLN A 62 70.238 -12.208 17.956 1.00 0.00 O ATOM 955 CB GLN A 62 71.009 -14.810 16.342 1.00 0.00 C ATOM 956 CG GLN A 62 71.932 -15.629 15.436 1.00 0.00 C ATOM 957 CD GLN A 62 71.781 -17.115 15.746 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.668 -17.599 15.949 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.844 -17.871 15.795 1.00 0.00 N ATOM 0 H GLN A 62 72.821 -13.301 17.410 1.00 0.00 H new ATOM 0 HA GLN A 62 71.142 -13.137 14.991 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.223 -15.027 17.389 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.970 -15.086 16.165 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.690 -15.441 14.390 1.00 0.00 H new ATOM 0 HG3 GLN A 62 72.967 -15.321 15.584 1.00 0.00 H new ATOM 0 HE21 GLN A 62 73.765 -17.467 15.626 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.753 -18.866 16.002 1.00 0.00 H new ATOM 968 N ILE A 63 69.070 -12.179 16.031 1.00 0.00 N ATOM 969 CA ILE A 63 67.968 -11.411 16.598 1.00 0.00 C ATOM 970 C ILE A 63 66.633 -12.077 16.284 1.00 0.00 C ATOM 971 O ILE A 63 66.547 -12.930 15.400 1.00 0.00 O ATOM 972 CB ILE A 63 67.976 -9.990 16.032 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.709 -10.041 14.525 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.341 -9.346 16.284 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.759 -8.626 13.949 1.00 0.00 C ATOM 0 H ILE A 63 68.957 -12.424 15.047 1.00 0.00 H new ATOM 0 HA ILE A 63 68.096 -11.372 17.680 1.00 0.00 H new ATOM 0 HB ILE A 63 67.200 -9.401 16.521 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.451 -10.671 14.035 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.734 -10.489 14.333 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.346 -8.334 15.880 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.534 -9.310 17.356 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.117 -9.935 15.795 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.569 -8.663 12.876 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.000 -8.010 14.431 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.744 -8.195 14.128 1.00 0.00 H new ATOM 987 N GLU A 64 65.594 -11.683 17.012 1.00 0.00 N ATOM 988 CA GLU A 64 64.266 -12.249 16.803 1.00 0.00 C ATOM 989 C GLU A 64 63.270 -11.155 16.434 1.00 0.00 C ATOM 990 O GLU A 64 62.884 -10.343 17.275 1.00 0.00 O ATOM 991 CB GLU A 64 63.796 -12.964 18.071 1.00 0.00 C ATOM 992 CG GLU A 64 65.007 -13.527 18.819 1.00 0.00 C ATOM 993 CD GLU A 64 64.546 -14.296 20.052 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.531 -13.922 20.614 1.00 0.00 O ATOM 995 OE2 GLU A 64 65.215 -15.249 20.415 1.00 0.00 O ATOM 0 H GLU A 64 65.644 -10.978 17.748 1.00 0.00 H new ATOM 0 HA GLU A 64 64.322 -12.965 15.983 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.250 -12.271 18.711 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.108 -13.769 17.813 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.577 -14.184 18.162 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.672 -12.716 19.114 1.00 0.00 H new ATOM 1002 N VAL A 65 62.856 -11.139 15.171 1.00 0.00 N ATOM 1003 CA VAL A 65 61.904 -10.140 14.702 1.00 0.00 C ATOM 1004 C VAL A 65 60.473 -10.639 14.875 1.00 0.00 C ATOM 1005 O VAL A 65 60.122 -11.723 14.407 1.00 0.00 O ATOM 1006 CB VAL A 65 62.161 -9.825 13.227 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.128 -8.811 12.733 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.565 -9.239 13.069 1.00 0.00 C ATOM 0 H VAL A 65 63.163 -11.802 14.459 1.00 0.00 H new ATOM 0 HA VAL A 65 62.035 -9.235 15.295 1.00 0.00 H new ATOM 0 HB VAL A 65 62.080 -10.741 12.641 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.312 -8.587 11.682 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.127 -9.227 12.846 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.208 -7.895 13.319 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.749 -9.014 12.018 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.645 -8.324 13.656 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.302 -9.961 13.420 1.00 0.00 H new ATOM 1018 N GLU A 66 59.652 -9.843 15.550 1.00 0.00 N ATOM 1019 CA GLU A 66 58.259 -10.214 15.779 1.00 0.00 C ATOM 1020 C GLU A 66 57.322 -9.152 15.213 1.00 0.00 C ATOM 1021 O GLU A 66 57.565 -7.953 15.359 1.00 0.00 O ATOM 1022 CB GLU A 66 58.003 -10.377 17.278 1.00 0.00 C ATOM 1023 CG GLU A 66 56.521 -10.675 17.513 1.00 0.00 C ATOM 1024 CD GLU A 66 56.300 -11.117 18.956 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.274 -11.194 19.686 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.161 -11.370 19.310 1.00 0.00 O ATOM 0 H GLU A 66 59.923 -8.943 15.946 1.00 0.00 H new ATOM 0 HA GLU A 66 58.066 -11.160 15.272 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.615 -11.186 17.676 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.291 -9.469 17.808 1.00 0.00 H new ATOM 0 HG2 GLU A 66 55.925 -9.787 17.301 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.186 -11.455 16.830 1.00 0.00 H new ATOM 1033 N ALA A 67 56.249 -9.599 14.569 1.00 0.00 N ATOM 1034 CA ALA A 67 55.281 -8.677 13.984 1.00 0.00 C ATOM 1035 C ALA A 67 53.859 -9.161 14.243 1.00 0.00 C ATOM 1036 O ALA A 67 53.552 -10.340 14.068 1.00 0.00 O ATOM 1037 CB ALA A 67 55.516 -8.559 12.478 1.00 0.00 C ATOM 0 H ALA A 67 56.028 -10.586 14.439 1.00 0.00 H new ATOM 0 HA ALA A 67 55.411 -7.699 14.448 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.789 -7.869 12.049 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.523 -8.185 12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.403 -9.539 12.014 1.00 0.00 H new ATOM 1043 N THR A 68 52.993 -8.241 14.660 1.00 0.00 N ATOM 1044 CA THR A 68 51.603 -8.586 14.939 1.00 0.00 C ATOM 1045 C THR A 68 50.661 -7.602 14.254 1.00 0.00 C ATOM 1046 O THR A 68 50.845 -6.388 14.341 1.00 0.00 O ATOM 1047 CB THR A 68 51.354 -8.567 16.449 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.320 -9.384 17.096 1.00 0.00 O ATOM 1049 CG2 THR A 68 49.952 -9.103 16.742 1.00 0.00 C ATOM 0 H THR A 68 53.227 -7.260 14.811 1.00 0.00 H new ATOM 0 HA THR A 68 51.410 -9.587 14.552 1.00 0.00 H new ATOM 0 HB THR A 68 51.435 -7.545 16.819 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.378 -9.135 18.042 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.775 -9.089 17.817 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.212 -8.477 16.244 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.869 -10.125 16.373 1.00 0.00 H new ATOM 1057 N GLY A 69 49.651 -8.135 13.574 1.00 0.00 N ATOM 1058 CA GLY A 69 48.684 -7.294 12.877 1.00 0.00 C ATOM 1059 C GLY A 69 48.286 -7.913 11.542 1.00 0.00 C ATOM 1060 O GLY A 69 48.926 -8.850 11.064 1.00 0.00 O ATOM 0 H GLY A 69 49.481 -9.137 13.491 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.799 -7.160 13.498 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.110 -6.304 12.711 1.00 0.00 H new ATOM 1064 N PRO A 70 47.246 -7.404 10.940 1.00 0.00 N ATOM 1065 CA PRO A 70 46.743 -7.908 9.630 1.00 0.00 C ATOM 1066 C PRO A 70 47.865 -8.070 8.607 1.00 0.00 C ATOM 1067 O PRO A 70 47.929 -9.074 7.896 1.00 0.00 O ATOM 1068 CB PRO A 70 45.750 -6.835 9.185 1.00 0.00 C ATOM 1069 CG PRO A 70 45.289 -6.172 10.441 1.00 0.00 C ATOM 1070 CD PRO A 70 46.435 -6.288 11.448 1.00 0.00 C ATOM 0 HA PRO A 70 46.295 -8.898 9.717 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.222 -6.118 8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 70 44.913 -7.276 8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 70 45.040 -5.127 10.257 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.388 -6.652 10.823 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.014 -5.366 11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.064 -6.490 12.453 1.00 0.00 H new ATOM 1078 N GLN A 71 48.746 -7.078 8.540 1.00 0.00 N ATOM 1079 CA GLN A 71 49.861 -7.121 7.601 1.00 0.00 C ATOM 1080 C GLN A 71 51.168 -7.405 8.333 1.00 0.00 C ATOM 1081 O GLN A 71 52.236 -6.962 7.911 1.00 0.00 O ATOM 1082 CB GLN A 71 49.969 -5.789 6.856 1.00 0.00 C ATOM 1083 CG GLN A 71 48.773 -5.632 5.915 1.00 0.00 C ATOM 1084 CD GLN A 71 48.852 -4.291 5.192 1.00 0.00 C ATOM 1085 OE1 GLN A 71 49.920 -3.899 4.725 1.00 0.00 O ATOM 1086 NE2 GLN A 71 47.776 -3.562 5.071 1.00 0.00 N ATOM 0 H GLN A 71 48.711 -6.240 9.120 1.00 0.00 H new ATOM 0 HA GLN A 71 49.678 -7.923 6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 71 49.996 -4.964 7.567 1.00 0.00 H new ATOM 0 HB3 GLN A 71 50.899 -5.752 6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.761 -6.446 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 71 47.844 -5.695 6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 71 46.892 -3.890 5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 71 47.820 -2.665 4.588 1.00 0.00 H new ATOM 1095 N GLU A 72 51.077 -8.145 9.433 1.00 0.00 N ATOM 1096 CA GLU A 72 52.260 -8.481 10.216 1.00 0.00 C ATOM 1097 C GLU A 72 53.265 -9.250 9.365 1.00 0.00 C ATOM 1098 O GLU A 72 54.474 -9.054 9.485 1.00 0.00 O ATOM 1099 CB GLU A 72 51.862 -9.326 11.428 1.00 0.00 C ATOM 1100 CG GLU A 72 51.236 -10.639 10.952 1.00 0.00 C ATOM 1101 CD GLU A 72 50.537 -11.335 12.115 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.192 -11.577 13.115 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.356 -11.616 11.987 1.00 0.00 O ATOM 0 H GLU A 72 50.203 -8.521 9.800 1.00 0.00 H new ATOM 0 HA GLU A 72 52.723 -7.554 10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.737 -9.531 12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.154 -8.778 12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.521 -10.442 10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.006 -11.290 10.538 1.00 0.00 H new ATOM 1110 N GLU A 73 52.756 -10.126 8.505 1.00 0.00 N ATOM 1111 CA GLU A 73 53.619 -10.920 7.638 1.00 0.00 C ATOM 1112 C GLU A 73 54.379 -10.019 6.670 1.00 0.00 C ATOM 1113 O GLU A 73 55.591 -10.157 6.499 1.00 0.00 O ATOM 1114 CB GLU A 73 52.782 -11.929 6.849 1.00 0.00 C ATOM 1115 CG GLU A 73 52.126 -12.915 7.816 1.00 0.00 C ATOM 1116 CD GLU A 73 51.446 -14.035 7.037 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.408 -13.946 5.820 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.973 -14.966 7.667 1.00 0.00 O ATOM 0 H GLU A 73 51.758 -10.303 8.390 1.00 0.00 H new ATOM 0 HA GLU A 73 54.337 -11.453 8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 73 52.019 -11.410 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.413 -12.464 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.876 -13.332 8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.395 -12.397 8.437 1.00 0.00 H new ATOM 1125 N GLU A 74 53.660 -9.097 6.038 1.00 0.00 N ATOM 1126 CA GLU A 74 54.279 -8.178 5.089 1.00 0.00 C ATOM 1127 C GLU A 74 55.440 -7.436 5.743 1.00 0.00 C ATOM 1128 O GLU A 74 56.547 -7.398 5.203 1.00 0.00 O ATOM 1129 CB GLU A 74 53.244 -7.170 4.587 1.00 0.00 C ATOM 1130 CG GLU A 74 53.840 -6.357 3.437 1.00 0.00 C ATOM 1131 CD GLU A 74 52.745 -5.555 2.741 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.599 -5.690 3.135 1.00 0.00 O ATOM 1133 OE2 GLU A 74 53.069 -4.818 1.824 1.00 0.00 O ATOM 0 H GLU A 74 52.656 -8.966 6.164 1.00 0.00 H new ATOM 0 HA GLU A 74 54.660 -8.756 4.247 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.347 -7.690 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 74 52.944 -6.507 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 74 54.609 -5.684 3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 74 54.324 -7.023 2.723 1.00 0.00 H new ATOM 1140 N ALA A 75 55.180 -6.848 6.906 1.00 0.00 N ATOM 1141 CA ALA A 75 56.213 -6.110 7.624 1.00 0.00 C ATOM 1142 C ALA A 75 57.454 -6.975 7.814 1.00 0.00 C ATOM 1143 O ALA A 75 58.574 -6.536 7.554 1.00 0.00 O ATOM 1144 CB ALA A 75 55.683 -5.665 8.989 1.00 0.00 C ATOM 0 H ALA A 75 54.271 -6.867 7.368 1.00 0.00 H new ATOM 0 HA ALA A 75 56.483 -5.233 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.460 -5.115 9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.814 -5.022 8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.397 -6.541 9.571 1.00 0.00 H new ATOM 1150 N LEU A 76 57.247 -8.207 8.269 1.00 0.00 N ATOM 1151 CA LEU A 76 58.357 -9.125 8.489 1.00 0.00 C ATOM 1152 C LEU A 76 59.068 -9.429 7.174 1.00 0.00 C ATOM 1153 O LEU A 76 60.297 -9.424 7.106 1.00 0.00 O ATOM 1154 CB LEU A 76 57.844 -10.428 9.106 1.00 0.00 C ATOM 1155 CG LEU A 76 58.586 -10.701 10.415 1.00 0.00 C ATOM 1156 CD1 LEU A 76 58.024 -11.965 11.067 1.00 0.00 C ATOM 1157 CD2 LEU A 76 60.076 -10.896 10.124 1.00 0.00 C ATOM 0 H LEU A 76 56.328 -8.590 8.491 1.00 0.00 H new ATOM 0 HA LEU A 76 59.064 -8.654 9.172 1.00 0.00 H new ATOM 0 HB2 LEU A 76 56.772 -10.357 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 76 57.994 -11.255 8.412 1.00 0.00 H new ATOM 0 HG LEU A 76 58.454 -9.856 11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 76 58.553 -12.159 12.000 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.963 -11.827 11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 76 58.155 -12.811 10.393 1.00 0.00 H new ATOM 0 HD21 LEU A 76 60.606 -11.091 11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 76 60.207 -11.741 9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 76 60.477 -9.995 9.660 1.00 0.00 H new ATOM 1169 N ALA A 77 58.286 -9.691 6.131 1.00 0.00 N ATOM 1170 CA ALA A 77 58.851 -9.993 4.822 1.00 0.00 C ATOM 1171 C ALA A 77 59.699 -8.827 4.323 1.00 0.00 C ATOM 1172 O ALA A 77 60.790 -9.023 3.791 1.00 0.00 O ATOM 1173 CB ALA A 77 57.730 -10.278 3.821 1.00 0.00 C ATOM 0 H ALA A 77 57.267 -9.700 6.167 1.00 0.00 H new ATOM 0 HA ALA A 77 59.485 -10.875 4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.162 -10.503 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.144 -11.131 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.084 -9.404 3.739 1.00 0.00 H new ATOM 1179 N ALA A 78 59.187 -7.613 4.502 1.00 0.00 N ATOM 1180 CA ALA A 78 59.906 -6.421 4.069 1.00 0.00 C ATOM 1181 C ALA A 78 61.221 -6.284 4.829 1.00 0.00 C ATOM 1182 O ALA A 78 62.258 -5.972 4.245 1.00 0.00 O ATOM 1183 CB ALA A 78 59.046 -5.178 4.303 1.00 0.00 C ATOM 0 H ALA A 78 58.284 -7.430 4.940 1.00 0.00 H new ATOM 0 HA ALA A 78 60.123 -6.516 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.591 -4.292 3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.120 -5.264 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.814 -5.091 5.364 1.00 0.00 H new ATOM 1189 N VAL A 79 61.169 -6.522 6.136 1.00 0.00 N ATOM 1190 CA VAL A 79 62.362 -6.424 6.968 1.00 0.00 C ATOM 1191 C VAL A 79 63.356 -7.523 6.607 1.00 0.00 C ATOM 1192 O VAL A 79 64.555 -7.273 6.479 1.00 0.00 O ATOM 1193 CB VAL A 79 61.981 -6.542 8.444 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.235 -6.407 9.308 1.00 0.00 C ATOM 1195 CG2 VAL A 79 60.993 -5.430 8.804 1.00 0.00 C ATOM 0 H VAL A 79 60.320 -6.782 6.638 1.00 0.00 H new ATOM 0 HA VAL A 79 62.828 -5.455 6.791 1.00 0.00 H new ATOM 0 HB VAL A 79 61.520 -7.513 8.624 1.00 0.00 H new ATOM 0 HG11 VAL A 79 62.963 -6.491 10.360 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.940 -7.197 9.051 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.697 -5.436 9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.720 -5.512 9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.456 -4.460 8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.098 -5.525 8.189 1.00 0.00 H new ATOM 1205 N ILE A 80 62.849 -8.741 6.444 1.00 0.00 N ATOM 1206 CA ILE A 80 63.701 -9.872 6.097 1.00 0.00 C ATOM 1207 C ILE A 80 64.346 -9.655 4.731 1.00 0.00 C ATOM 1208 O ILE A 80 65.522 -9.958 4.534 1.00 0.00 O ATOM 1209 CB ILE A 80 62.877 -11.160 6.075 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.582 -11.599 7.512 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.664 -12.258 5.359 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.640 -12.803 7.495 1.00 0.00 C ATOM 0 H ILE A 80 61.860 -8.969 6.546 1.00 0.00 H new ATOM 0 HA ILE A 80 64.486 -9.957 6.849 1.00 0.00 H new ATOM 0 HB ILE A 80 61.940 -10.983 5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.510 -11.857 8.022 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.130 -10.778 8.069 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.076 -13.176 5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.876 -11.946 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.601 -12.436 5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.430 -13.115 8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.708 -12.529 7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 80 62.109 -13.625 6.954 1.00 0.00 H new ATOM 1224 N ALA A 81 63.567 -9.126 3.793 1.00 0.00 N ATOM 1225 CA ALA A 81 64.073 -8.871 2.449 1.00 0.00 C ATOM 1226 C ALA A 81 65.217 -7.863 2.491 1.00 0.00 C ATOM 1227 O ALA A 81 66.162 -7.949 1.709 1.00 0.00 O ATOM 1228 CB ALA A 81 62.949 -8.334 1.561 1.00 0.00 C ATOM 0 H ALA A 81 62.591 -8.867 3.937 1.00 0.00 H new ATOM 0 HA ALA A 81 64.445 -9.809 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.335 -8.146 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 81 62.145 -9.068 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.565 -7.405 1.982 1.00 0.00 H new ATOM 1234 N LEU A 82 65.123 -6.910 3.413 1.00 0.00 N ATOM 1235 CA LEU A 82 66.156 -5.890 3.551 1.00 0.00 C ATOM 1236 C LEU A 82 67.431 -6.495 4.128 1.00 0.00 C ATOM 1237 O LEU A 82 68.536 -6.166 3.696 1.00 0.00 O ATOM 1238 CB LEU A 82 65.661 -4.768 4.465 1.00 0.00 C ATOM 1239 CG LEU A 82 65.292 -3.547 3.620 1.00 0.00 C ATOM 1240 CD1 LEU A 82 66.557 -2.946 3.009 1.00 0.00 C ATOM 1241 CD2 LEU A 82 64.338 -3.973 2.503 1.00 0.00 C ATOM 0 H LEU A 82 64.348 -6.823 4.071 1.00 0.00 H new ATOM 0 HA LEU A 82 66.375 -5.484 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.795 -5.104 5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.434 -4.504 5.186 1.00 0.00 H new ATOM 0 HG LEU A 82 64.806 -2.802 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 82 66.293 -2.076 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 82 67.237 -2.643 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 82 67.045 -3.689 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 82 64.074 -3.105 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 82 64.825 -4.718 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 82 63.435 -4.400 2.939 1.00 0.00 H new ATOM 1253 N PHE A 83 67.271 -7.381 5.105 1.00 0.00 N ATOM 1254 CA PHE A 83 68.417 -8.027 5.733 1.00 0.00 C ATOM 1255 C PHE A 83 69.101 -8.974 4.753 1.00 0.00 C ATOM 1256 O PHE A 83 70.316 -9.168 4.807 1.00 0.00 O ATOM 1257 CB PHE A 83 67.964 -8.808 6.968 1.00 0.00 C ATOM 1258 CG PHE A 83 67.367 -7.856 7.976 1.00 0.00 C ATOM 1259 CD1 PHE A 83 67.296 -6.487 7.690 1.00 0.00 C ATOM 1260 CD2 PHE A 83 66.883 -8.341 9.197 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.742 -5.604 8.623 1.00 0.00 C ATOM 1262 CE2 PHE A 83 66.329 -7.458 10.131 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.258 -6.090 9.844 1.00 0.00 C ATOM 0 H PHE A 83 66.365 -7.667 5.477 1.00 0.00 H new ATOM 0 HA PHE A 83 69.127 -7.256 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 83 67.230 -9.562 6.685 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.810 -9.336 7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 83 67.669 -6.113 6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 83 66.937 -9.397 9.418 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.688 -4.548 8.402 1.00 0.00 H new ATOM 0 HE2 PHE A 83 65.956 -7.832 11.073 1.00 0.00 H new ATOM 0 HZ PHE A 83 65.830 -5.409 10.564 1.00 0.00 H new ATOM 1273 N ASN A 84 68.313 -9.561 3.857 1.00 0.00 N ATOM 1274 CA ASN A 84 68.854 -10.486 2.869 1.00 0.00 C ATOM 1275 C ASN A 84 69.129 -9.765 1.553 1.00 0.00 C ATOM 1276 O ASN A 84 69.707 -10.336 0.629 1.00 0.00 O ATOM 1277 CB ASN A 84 67.867 -11.630 2.628 1.00 0.00 C ATOM 1278 CG ASN A 84 67.670 -12.427 3.913 1.00 0.00 C ATOM 1279 OD1 ASN A 84 68.553 -12.451 4.772 1.00 0.00 O ATOM 1280 ND2 ASN A 84 66.560 -13.087 4.097 1.00 0.00 N ATOM 0 H ASN A 84 67.306 -9.414 3.795 1.00 0.00 H new ATOM 0 HA ASN A 84 69.791 -10.889 3.253 1.00 0.00 H new ATOM 0 HB2 ASN A 84 66.911 -11.231 2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 84 68.240 -12.283 1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 84 66.422 -13.624 4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 84 65.830 -13.066 3.385 1.00 0.00 H new ATOM 1287 N SER A 85 68.709 -8.506 1.477 1.00 0.00 N ATOM 1288 CA SER A 85 68.915 -7.714 0.268 1.00 0.00 C ATOM 1289 C SER A 85 68.201 -8.353 -0.919 1.00 0.00 C ATOM 1290 O SER A 85 67.032 -8.061 -1.108 1.00 0.00 O ATOM 1291 CB SER A 85 70.410 -7.602 -0.033 1.00 0.00 C ATOM 1292 OG SER A 85 70.984 -8.902 -0.048 1.00 0.00 O ATOM 1293 OXT SER A 85 68.834 -9.125 -1.620 1.00 0.00 O ATOM 0 H SER A 85 68.228 -8.015 2.231 1.00 0.00 H new ATOM 0 HA SER A 85 68.502 -6.719 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 85 70.563 -7.113 -0.995 1.00 0.00 H new ATOM 0 HB3 SER A 85 70.899 -6.984 0.720 1.00 0.00 H new ATOM 0 HG SER A 85 70.305 -9.556 -0.314 1.00 0.00 H new TER 1299 SER A 85